Peak 5 from nnoeabs.peaks (4.63, 8.21, 121.29 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 10 + H MET 11 OK 100 100 - 100 - 3.6=100 HA ASN 106 - H ASP 100 OK 32 74 - 43 - ~7690=10, 4804/3.8=7...(11) HA ASN 106 - H MET 11 poor 9 83 - 11 - 3.0/492=1, 3.0/1269=1...(5) HA HIS 10 - H ASP 100 lone 4 94 - 4 - 5427=2, 3.0/6=1 HA ASP 123 - H MET 11 lone 3 100 - 3 - HA ASP 123 - H ASP 100 lone 1 94 - 1 - Peak 6 from nnoeabs.peaks (3.15, 8.21, 121.29 ppm; 4.02 A): 1 out of 12 assignments used, quality = 0.79: * HB2 HIS 10 + H MET 11 OK 79 100 - 79 - 4.4=79 HD3 ARG 57 - H ASP 100 poor 8 55 - 14 - 2.9/7685=2, ~7695=2...(5) HD2 ARG 53 - H MET 11 lone 6 73 - 8 - 1823/3.6=3, 1831/4.4=3 HB2 HIS 10 - H ASP 100 lone 3 94 - 4 - HD3 ARG 57 - H MET 11 lone 3 63 - 4 - HD3 ARG 81 - H ASP 100 lone 2 69 - 4 - HD3 ARG 81 - H MET 11 lone 2 78 - 2 - HD2 ARG 53 - H ASP 100 lone 2 65 - 3 - HD2 ARG 92 - H MET 11 lone 2 100 - 2 - HD3 ARG 92 - H MET 11 lone 2 100 - 2 - HD2 ARG 92 - H ASP 100 lone 1 94 - 1 - HD3 ARG 92 - H ASP 100 lone 1 94 - 1 - Peak 7 from nnoeabs.peaks (3.08, 8.21, 121.29 ppm; 4.21 A): 4 out of 8 assignments used, quality = 0.93: * HB3 HIS 10 + H MET 11 OK 90 100 - 90 - 4.4=90 HB2 PHE 107 + H ASP 100 OK 11 60 - 18 - 1.8/5827=5, 4832/4.6=4...(6) HB3 CYS 76 + H ASP 100 OK 10 52 - 20 - 7332/3.6=6, 1.8/491=3...(6) HD3 ARG 53 + H MET 11 OK 10 97 - 11 - 1824/3.6=5, 1828/4.4=4 HD3 ARG 53 - H ASP 100 lone 3 90 - 4 - HB3 CYS 76 - H MET 11 lone 3 60 - 5 - HB2 PHE 107 - H MET 11 lone 3 68 - 4 - HB3 HIS 10 - H ASP 100 lone 2 94 - 2 - Peak 10 from nnoeabs.peaks (4.37, 8.67, 120.34 ppm; 3.48 A): 1 out of 8 assignments used, quality = 0.94: * HA MET 11 + H ASN 12 OK 94 100 - 94 - 3.6=93, 1843/5.0=11, 4.0/13=7 HA ASP 100 - H ASN 12 OK 25 92 - 27 - 7690=6, 4632/4.6=3...(11) HB THR 116 - H ASN 12 OK 12 100 - 12 - 5903=3, 2.1/5904=2...(5) HA GLN 105 - H ASN 12 lone 8 95 - 8 - 5431=2, 1851/4.2=2...(4) HA CYS 76 - H ASN 12 lone 4 98 - 4 - HA PHE 40 - H ASN 12 lone 4 63 - 6 - 3.0/794=1 HA LEU 93 - H ASN 12 lone 3 90 - 3 - HA SER 35 - H ASN 12 lone 2 97 - 2 - Peak 11 from nnoeabs.peaks (1.98, 8.67, 120.34 ppm; 4.28 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 11 + H ASN 12 OK 100 100 - 100 - 4.2=100 HB3 GLN 103 - H ASN 12 OK 26 100 - 27 - 1.8/13=6, 4734/5.0=5...(6) HB2 LYS 46 - H ASN 12 OK 16 96 - 17 - 1849/5.0=3, 8596=3...(6) HG2 PRO 60 - H ASN 12 lone 8 99 - 7 - 2.3/7092=2, 2.3/7093=2 HG LEU 114 - H ASN 12 lone 7 99 - 6 - 2.1/7955=1, 4.3/6236=1 HB2 LEU 55 - H ASN 12 lone 6 92 - 7 - 3.0/6999=2 HB3 PRO 68 - H ASN 12 lone 4 100 - 4 - HB2 LEU 41 - H ASN 12 lone 4 100 - 4 - HG2 PRO 68 - H ASN 12 lone 4 99 - 4 - HB ILE 124 - H ASN 12 lone 3 100 - 3 - HB2 GLU 94 - H ASN 12 lone 3 96 - 3 - HG LEU 45 - H ASN 12 lone 2 93 - 3 - HB2 ARG 71 - H ASN 12 lone 2 96 - 2 - Peak 12 from nnoeabs.peaks (1.92, 8.67, 120.34 ppm; 4.46 A): 1 out of 16 assignments used, quality = 1.00: * HB3 MET 11 + H ASN 12 OK 100 100 - 100 - 4.2=100 HG LEU 58 - H ASN 12 OK 19 90 - 21 - 5648=4, 2.1/5650=3...(9) HB2 LEU 21 - H ASN 12 OK 16 97 - 17 - 2105/4.6=6, 1841/3.6=5...(5) HB3 LYS 119 - H ASN 12 OK 14 65 - 21 - 1.8/5915=3, 4.0/1789=2...(8) HB ILE 80 - H ASN 12 lone 5 99 - 5 - HB ILE 22 - H ASN 12 lone 5 99 - 5 - HB2 LEU 84 - H ASN 12 lone 4 95 - 5 - HB2 LYS 109 - H ASN 12 lone 4 81 - 5 - HB2 ARG 81 - H ASN 12 lone 3 99 - 3 - HB3 GLU 69 - H ASN 12 lone 3 65 - 5 - 3.0/6283=1 HB2 GLU 28 - H ASN 12 lone 3 96 - 3 - HB3 GLU 73 - H ASN 12 lone 2 100 - 2 - HB3 GLU 64 - H ASN 12 lone 2 85 - 3 - HB2 GLU 64 - H ASN 12 lone 2 81 - 3 - HG LEU 84 - H ASN 12 lone 2 63 - 3 - HB2 GLU 38 - H ASN 12 lone 2 71 - 2 - Peak 13 from nnoeabs.peaks (2.38, 8.67, 120.34 ppm; 4.77 A): 2 out of 7 assignments used, quality = 0.95: * HG2 MET 11 + H ASN 12 OK 92 100 - 92 - 5.0=89, 4.0/5431=27, 8175/4.0=4 HB2 GLN 103 + H ASN 12 OK 31 99 - 32 - 1842/3.6=7, 1854/4.2=6...(7) HG2 GLU 15 - H ASN 12 OK 15 97 - 15 - 8175/4.0=6, 3.0/6283=4...(4) HG2 PRO 70 - H ASN 12 OK 13 60 - 22 - 2.3/6283=12, 8175/4.0=5...(4) HB VAL 18 - H ASN 12 OK 11 83 - 13 - 1854/4.2=2, 1842/3.6=2...(7) HB3 ASN 118 - H ASN 12 lone 7 71 - 10 - 4.6/1789=2, 8175/4.0=2...(4) HG3 GLN 16 - H ASN 12 lone 5 85 - 6 - 8175/4.0=1 Peak 14 from nnoeabs.peaks (2.43, 8.67, 120.34 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + H ASN 12 OK 100 100 - 100 - 5.0=100 HB2 CYS 52 - H ASN 12 OK 16 85 - 18 - 1855/4.2=5, 1843/3.6=4...(5) Peak 15 from nnoeabs.peaks (8.67, 8.50, 116.08 ppm; 5.01 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 12 + H SER 13 OK 100 100 - 100 - 4.7=100 H LEU 59 - H SER 13 lone 6 100 - 6 - 1874/4.6=2, 1880/4.6=2 H LEU 117 - H SER 13 lone 6 98 - 6 - 1880/4.6=2, 1874/4.6=2 H VAL 120 - H SER 13 lone 6 85 - 7 - 1880/4.6=2, 1874/4.6=2 Peak 16 from nnoeabs.peaks (4.75, 8.50, 116.08 ppm; 3.52 A): 1 out of 2 assignments used, quality = 0.97: * HA ASN 12 + H SER 13 OK 97 100 - 97 - 3.6=96, 3.0/18=13, 3.0/17=13 HA SER 72 - H SER 13 lone 1 60 - 2 - Peak 17 from nnoeabs.peaks (2.98, 8.50, 116.08 ppm; 4.28 A): 5 out of 5 assignments used, quality = 0.95: * HB2 ASN 12 + H SER 13 OK 90 100 - 90 - 4.6=79, 3.0/16=37, 1.8/18=24 HE3 LYS 31 + H SER 13 OK 16 95 - 17 - 3.8/2425=2, 1870/3.6=2...(11) HE2 LYS 31 + H SER 13 OK 16 95 - 17 - 3.8/2425=2, 1870/3.6=2...(11) HB3 TYR 102 + H SER 13 OK 13 93 - 14 - 4698=2, 1870/3.6=2...(7) HA VAL 110 + H SER 13 OK 11 100 - 11 - 1870/3.6=4, 1882/4.6=3 Peak 18 from nnoeabs.peaks (2.88, 8.50, 116.08 ppm; 4.45 A): 1 out of 6 assignments used, quality = 0.95: * HB3 ASN 12 + H SER 13 OK 95 100 - 95 - 4.6=90, 3.0/16=39, 1.8/17=25 HB2 PHE 40 - H SER 13 OK 16 97 - 16 - 1871/3.6=3, 1.8/2749=2...(8) HB2 ASP 100 - H SER 13 OK 15 97 - 15 - 1871/3.6=4, 794/4.7=3...(6) HE2 LYS 119 - H SER 13 lone 6 81 - 7 - 794/4.7=2, 1871/3.6=2 HE3 LYS 119 - H SER 13 lone 5 78 - 7 - 794/4.7=2, 1871/3.6=2 HB2 ASN 106 - H SER 13 lone 5 87 - 5 - 1871/3.6=2, 794/4.7=1 Peak 21 from nnoeabs.peaks (8.50, 8.84, 126.92 ppm; 4.50 A): 2 out of 9 assignments used, quality = 0.97: * H SER 13 + H ALA 14 OK 95 100 - 95 - 4.6=92, 4.0/23=14...(4) H GLU 38 + H ALA 14 OK 42 83 - 50 - 6314/2.9=12, 3.0/24=9...(13) H LEU 84 - H ALA 14 OK 20 100 - 20 - 6314/2.9=4, 1487/4.6=3...(5) H GLU 28 - H ALA 14 OK 15 100 - 15 - 6314/2.9=2, 4.8/6299=2...(6) H PHE 40 - H ALA 14 OK 10 96 - 11 - ~5952=2, 6314/2.9=2...(4) H LEU 77 - H ALA 14 lone 9 98 - 9 - 6314/2.9=2, 1653/4.5=1 H LYS 31 - H ALA 14 lone 7 100 - 7 - 6314/2.9=2 H TYR 102 - H ALA 14 lone 6 78 - 8 - 4.6/6300=1 H GLY 2 - H ALA 14 lone 2 95 - 2 - Peak 22 from nnoeabs.peaks (4.21, 8.84, 126.92 ppm; 3.97 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 13 + H ALA 14 OK 100 100 - 100 - 3.6=100 HA THR 17 - H ALA 14 OK 38 85 - 45 - ~5952=11, ~5951=7...(13) HA VAL 26 - H ALA 14 OK 17 100 - 17 - 5439=5, 798/4.6=3...(5) HA ILE 22 - H ALA 14 OK 17 100 - 17 - 3.2/6299=3, 3.6/1429=3...(9) HA VAL 66 - H ALA 14 lone 7 100 - 7 - HA CYS 52 - H ALA 14 lone 6 99 - 6 - HA LEU 126 - H ALA 14 lone 3 99 - 3 - HA PRO 68 - H ALA 14 lone 2 60 - 3 - HA ALA 89 - H ALA 14 lone 1 65 - 2 - HA3 GLY 61 - H ALA 14 lone 1 78 - 1 - Peak 23 from nnoeabs.peaks (3.87, 8.84, 126.92 ppm; 4.00 A): 3 out of 12 assignments used, quality = 0.90: * HB2 SER 13 + H ALA 14 OK 82 100 - 82 - 4.5=71, 4.0/1428=17...(6) HA GLU 15 + H ALA 14 OK 37 81 - 46 - 3.0/25=26, 8187/2.9=8...(8) HB2 SER 35 + H ALA 14 OK 14 93 - 15 - 1.8/5441=4, 5440=4...(5) HA THR 19 - H ALA 14 poor 10 63 - 16 - ~1550=3, ~5951=3...(6) HA THR 33 - H ALA 14 lone 5 97 - 5 - 5440=2 HA ARG 53 - H ALA 14 lone 5 89 - 5 - 1888/3.6=1 HB THR 33 - H ALA 14 lone 4 98 - 4 - 3.0/5440=1 HB3 SER 112 - H ALA 14 lone 3 83 - 3 - HB3 ASN 79 - H ALA 14 lone 2 95 - 3 - HB THR 95 - H ALA 14 lone 2 85 - 3 - HB2 SER 112 - H ALA 14 lone 2 78 - 3 - HA3 GLY 104 - H ALA 14 lone 2 92 - 2 - Peak 24 from nnoeabs.peaks (3.76, 8.84, 126.92 ppm; 4.19 A): 2 out of 10 assignments used, quality = 0.95: * HB3 SER 13 + H ALA 14 OK 90 100 - 90 - 4.5=82, 1.8/23=20...(6) HA GLU 38 + H ALA 14 OK 53 99 - 53 - 6311/2.9=16, 6706/3.0=6...(16) HB3 SER 35 - H ALA 14 OK 18 99 - 18 - 5441=5, 1.8/5440=4...(5) HA CYS 87 - H ALA 14 OK 11 99 - 11 - 6311/2.9=3 HD2 PRO 30 - H ALA 14 OK 11 100 - 11 - 6311/2.9=3, 800/4.6=1 HA LEU 54 - H ALA 14 lone 5 89 - 6 - 6311/2.9=2 HA GLU 73 - H ALA 14 lone 4 81 - 5 - 6311/2.9=1 HB3 SER 74 - H ALA 14 lone 2 89 - 3 - HB2 SER 74 - H ALA 14 lone 2 87 - 3 - HB2 SER 72 - H ALA 14 lone 2 96 - 2 - Peak 25 from nnoeabs.peaks (8.84, 8.77, 119.55 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.70: * H ALA 14 + H GLU 15 OK 66 100 - 66 - 4.6=51, 2.9/27=16...(7) H ASN 108 + H GLU 15 OK 13 100 - 13 - 1898/3.6=5, 1901/3.7=4...(4) H VAL 50 - H GLU 15 lone 6 100 - 6 - 1898/3.6=2, 1901/3.7=2 Peak 26 from nnoeabs.peaks (4.02, 8.77, 119.55 ppm; 4.27 A): 3 out of 7 assignments used, quality = 1.00: * HA ALA 14 + H GLU 15 OK 100 100 - 100 - 3.6=100 HA GLN 16 + H GLU 15 OK 57 97 - 59 - 3.0/28=26, 3.6/1539=11...(11) HD3 PRO 37 + H GLU 15 OK 48 78 - 61 - 2.3/6700=18, 2.3/6701=15...(13) HA PHE 107 - H GLU 15 OK 16 92 - 17 - 3.6/25=5, 5858/4.6=5...(4) HA ARG 81 - H GLU 15 OK 11 60 - 18 - 3.6/1430=6, 4.9/6140=3...(5) HA TYR 102 - H GLU 15 poor 8 71 - 12 - 2.9/1430=2, 8190/4.6=2...(5) HA THR 62 - H GLU 15 lone 4 65 - 7 - 3.6/1430=3 Peak 27 from nnoeabs.peaks (1.47, 8.77, 119.55 ppm; 3.48 A): 4 out of 17 assignments used, quality = 0.94: * QB ALA 14 + H GLU 15 OK 91 100 - 91 - 3.7=85, 2.9/25=20...(9) HB3 GLU 75 + H GLU 15 OK 13 92 - 14 - 8187/3.0=3, 6321/4.6=2...(6) HB3 LEU 101 + H GLU 15 OK 11 68 - 17 - 4.0/1728=3, 8187/3.0=3...(7) HG3 ARG 57 + H GLU 15 OK 10 100 - 10 - 8187/3.0=2, 6318/4.6=1...(4) HG2 LYS 119 - H GLU 15 lone 8 100 - 8 - 8187/3.0=2, 1900/3.6=1 HD2 LYS 46 - H GLU 15 lone 7 99 - 7 - 1900/3.6=2 HB2 LEU 93 - H GLU 15 lone 6 100 - 6 - 1900/3.6=2, 803/4.6=1 HG LEU 24 - H GLU 15 lone 5 92 - 5 - 8187/3.0=1 HG2 LYS 109 - H GLU 15 lone 5 92 - 5 - HB3 LEU 45 - H GLU 15 lone 3 92 - 3 - HD3 LYS 65 - H GLU 15 lone 3 78 - 4 - HD2 LYS 65 - H GLU 15 lone 3 78 - 4 - HG3 LYS 31 - H GLU 15 lone 3 100 - 3 - HB3 LEU 58 - H GLU 15 lone 2 78 - 3 - HG LEU 93 - H GLU 15 lone 2 65 - 3 - 1900/3.6=1 QB ALA 89 - H GLU 15 lone 1 71 - 2 - HG LEU 91 - H GLU 15 lone 1 73 - 2 - Peak 28 from nnoeabs.peaks (8.77, 8.45, 118.13 ppm; 3.93 A): 2 out of 4 assignments used, quality = 0.86: * H GLU 15 + H GLN 16 OK 85 100 - 85 - 4.6=64, 1910/4.6=16...(11) H ASN 99 + H GLN 16 OK 11 89 - 13 - 1904/3.6=3, 1910/4.6=3 H ARG 85 - H GLN 16 poor 10 76 - 12 - 4.7/1686=2, 1904/3.6=2...(6) H THR 23 - H GLN 16 lone 7 71 - 10 - 1904/3.6=2, 3.6/1536=2...(4) Peak 29 from nnoeabs.peaks (3.85, 8.45, 118.13 ppm; 4.56 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 15 + H GLN 16 OK 100 100 - 100 - 3.6=100 HA THR 19 + H GLN 16 OK 53 99 - 54 - ~5963=8, 3.0/1431=7...(16) HA THR 116 - H GLN 16 OK 20 83 - 24 - 3.0/34=6, 5983/4.6=3...(10) HB2 SER 13 - H GLN 16 OK 15 81 - 18 - 3.0/5944=11, 805/4.6=2...(4) HA LEU 77 - H GLN 16 OK 13 96 - 13 - 8340/4.6=3, 805/4.6=2...(5) HA THR 33 - H GLN 16 OK 12 97 - 12 - 3.6/1537=5, 5535/1537=1 HB THR 33 - H GLN 16 OK 11 96 - 11 - 4.6/1537=4, 5536/1537=2 HA LYS 119 - H GLN 16 lone 6 89 - 7 - 1911/4.6=1, 805/4.6=1 HA3 GLY 104 - H GLN 16 lone 4 99 - 4 - HB2 SER 35 - H GLN 16 lone 4 99 - 4 - Peak 30 from nnoeabs.peaks (2.09, 8.45, 118.13 ppm; 3.20 A): 3 out of 13 assignments used, quality = 0.98: HB3 GLN 16 + H GLN 16 OK 75 99 - 76 - 4.0=49, 3.0/1966=14...(13) HB2 GLN 16 + H GLN 16 OK 75 99 - 76 - 4.0=49, 3.0/1966=14...(13) * HB2 GLU 15 + H GLN 16 OK 65 100 - 65 - 4.6=35, 1.8/31=15...(11) HB ILE 63 - H GLN 16 OK 12 76 - 16 - 2.1/3512=2, 3505=2...(7) HB3 PRO 70 - H GLN 16 OK 12 89 - 14 - 1.8/33=3, 1906/3.6=3...(5) HB2 GLN 105 - H GLN 16 OK 11 97 - 12 - 3.0/814=2, 3.0/814=2...(4) HG3 GLU 69 - H GLN 16 lone 9 100 - 9 - 1.8/31=2, 3787/4.6=2, 1906/3.6=1 HB2 LEU 101 - H GLN 16 lone 8 95 - 9 - 1906/3.6=1 HB2 LEU 114 - H GLN 16 lone 6 100 - 6 - HB2 ARG 57 - H GLN 16 lone 5 92 - 5 - HG2 GLU 64 - H GLN 16 lone 5 92 - 5 - HG LEU 21 - H GLN 16 lone 4 100 - 4 - HB3 GLU 38 - H GLN 16 lone 4 65 - 5 - 3.0/33=1, 3.0/33=1 Peak 31 from nnoeabs.peaks (2.14, 8.45, 118.13 ppm; 3.86 A): 5 out of 5 assignments used, quality = 0.92: * HB3 GLU 15 + H GLN 16 OK 85 100 - 85 - 4.6=61, 1.8/5445=20...(14) HB VAL 115 + H GLN 16 OK 18 100 - 18 - 1907/3.6=4, 4.4/34=3...(6) HG12 ILE 80 + H GLN 16 OK 15 68 - 22 - 4.0/6125=3, 5446=3...(9) HG2 GLU 69 + H GLN 16 OK 13 96 - 14 - 1907/3.6=3, 1913/4.6=3...(4) HB2 PRO 30 + H GLN 16 OK 11 100 - 11 - 1907/3.6=3, 1913/4.6=2 Peak 32 from nnoeabs.peaks (2.37, 8.45, 118.13 ppm; 4.03 A): 3 out of 9 assignments used, quality = 0.93: * HG2 GLU 15 + H GLN 16 OK 76 100 - 77 - 3.0/31=19, 1.8/5448=18...(15) HG3 GLN 16 + H GLN 16 OK 51 60 - 85 - 4.9=55, 1.8/1958=21...(12) HB VAL 18 + H GLN 16 OK 40 97 - 41 - 4.0/1537=13, 5957/3.6=8...(9) HG2 PRO 70 - H GLN 16 OK 23 85 - 28 - 5957/3.6=6, 2.3/33=5...(9) HB3 GLU 82 - H GLN 16 OK 11 63 - 18 - 3.0/4160=3, 4.3/398=2...(8) HB2 GLU 82 - H GLN 16 OK 11 63 - 18 - 3.0/4160=3, 4.3/398=2...(8) HB2 GLN 103 - H GLN 16 lone 9 100 - 8 - 1908/3.6=1 HG2 MET 11 - H GLN 16 lone 5 97 - 5 - HB3 ASN 118 - H GLN 16 lone 3 92 - 3 - Peak 33 from nnoeabs.peaks (2.25, 8.45, 118.13 ppm; 4.31 A): 5 out of 13 assignments used, quality = 0.92: * HG3 GLU 15 + H GLN 16 OK 83 100 - 83 - 5448=25, 3.0/31=21...(14) HB2 PRO 70 + H GLN 16 OK 31 99 - 31 - 1909/3.6=8, 1915/4.6=7...(7) HG2 GLU 56 + H GLN 16 OK 17 100 - 16 - 1.8/8303=5, 4.0/8302=2...(6) HG3 GLU 38 + H GLN 16 OK 12 97 - 13 - 1909/3.6=2, 809/4.6=2...(5) HG2 GLU 38 + H GLN 16 OK 12 97 - 12 - 1909/3.6=2, 809/4.6=2...(5) HG3 GLU 64 - H GLN 16 lone 8 93 - 9 - 5.0/292=2, 1909/3.6=1 HB3 LEU 117 - H GLN 16 lone 7 87 - 8 - 1909/3.6=2, 809/4.6=1...(4) HB2 PRO 68 - H GLN 16 lone 4 89 - 4 - HG3 GLU 28 - H GLN 16 lone 3 85 - 3 - HG2 GLU 94 - H GLN 16 lone 3 96 - 3 - HG2 GLU 28 - H GLN 16 lone 3 81 - 3 - HB2 CYS 87 - H GLN 16 lone 3 87 - 3 - HG3 GLU 94 - H GLN 16 lone 2 87 - 2 - Peak 34 from nnoeabs.peaks (8.45, 7.99, 118.31 ppm; 3.58 A): 3 out of 10 assignments used, quality = 0.83: * H GLN 16 + H THR 17 OK 76 100 - 76 - 4.6=47, 8472/4.8=12...(13) H GLN 16 + H THR 116 OK 18 72 - 25 - 1431=6, 3.6/5959=3...(9) H ILE 63 + H THR 17 OK 11 96 - 11 - 1934/3.6=2, 1966/5.0=2...(5) H GLU 82 - H THR 17 lone 9 100 - 9 - 1934/3.6=2, 1966/5.0=1 H GLU 82 - H THR 116 lone 5 72 - 6 - 1676/4.6=2 H TYR 102 - H THR 17 lone 5 60 - 8 - 1934/3.6=2 H ILE 63 - H THR 116 lone 2 65 - 3 - H LEU 51 - H THR 17 lone 2 65 - 2 - H TYR 102 - H THR 116 lone 1 36 - 4 - H LEU 51 - H THR 116 lone 0 40 - 1 - Peak 35 from nnoeabs.peaks (4.03, 7.99, 118.31 ppm; 3.64 A): 2 out of 16 assignments used, quality = 1.00: * HA GLN 16 + H THR 17 OK 100 100 - 100 - 3.6=100 HA ALA 14 + H THR 17 OK 65 97 - 67 - 5951=17, 5952/4.0=16...(15) HA SER 112 - H THR 116 OK 16 42 - 38 - 6227/4.4=9, 6229=8...(8) HA ALA 14 - H THR 116 OK 15 66 - 23 - 5951=5, 2.1/6315=3...(7) HA GLN 16 - H THR 116 OK 14 72 - 20 - 3.0/34=4, 5961=3...(7) HD3 PRO 37 - H THR 17 OK 13 97 - 13 - 6341/4.0=2, 5953/4.0=2...(5) HA TYR 102 - H THR 17 poor 10 93 - 10 - 7737/4.0=2, 811/4.6=1, 2.9/34=1 HA LEU 55 - H THR 116 poor 7 46 - 15 - 7974/4.3=3, 6999/4.6=3...(6) HA SER 112 - H THR 17 lone 7 68 - 10 - 6341/4.0=1, 4.8/6219=1, 6225=1 HA LYS 109 - H THR 17 lone 6 83 - 7 - 7837/4.6=1 HA LEU 55 - H THR 17 lone 4 73 - 6 - 6341/4.0=1 HA TYR 102 - H THR 116 lone 4 62 - 7 - 7746/3.6=1 HA LYS 109 - H THR 116 lone 4 53 - 8 - 6205=1 HD3 PRO 37 - H THR 116 lone 3 66 - 5 - HA PHE 107 - H THR 17 lone 3 68 - 5 - HA PHE 107 - H THR 116 lone 1 42 - 2 - Peak 36 from nnoeabs.peaks (2.08, 7.99, 118.31 ppm; 3.39 A): 2 out of 30 assignments used, quality = 0.96: * HB2 GLN 16 + H THR 17 OK 80 100 - 80 - 4.1=56, 3.0/39=11...(16) HB3 GLN 16 + H THR 17 OK 80 100 - 80 - 4.1=56, 3.0/39=11...(16) HB2 GLU 15 - H THR 17 OK 31 99 - 31 - 4.6/34=9, 4.0/1539=6...(9) HG LEU 21 - H THR 17 OK 18 100 - 18 - 6407/4.0=5, 6331/3.0=3...(6) HB2 LEU 114 - H THR 17 OK 17 100 - 17 - 6339/4.0=3, 5063=2...(9) HB2 LEU 114 - H THR 116 OK 16 72 - 22 - 582/4.6=6, 3.0/6235=6...(5) HB2 GLU 15 - H THR 116 OK 13 69 - 18 - 3.0/5959=3, 4.0/1539=2...(7) HB2 GLN 16 - H THR 116 OK 10 72 - 14 - 4.0/34=3, 3.0/5449=2...(6) HB3 GLN 16 - H THR 116 OK 10 72 - 14 - 4.0/34=3, 3.0/5449=2...(6) HB2 GLN 105 - H THR 17 lone 9 100 - 9 - 3.0/38=2, 3.0/38=1...(4) HB ILE 63 - H THR 17 lone 8 92 - 9 - 4.0/34=2, 3505/4.6=1 HB2 ARG 57 - H THR 17 lone 5 99 - 5 - HB3 PRO 70 - H THR 17 lone 5 71 - 7 - 6355/4.7=1 HG3 GLU 69 - H THR 17 lone 5 96 - 5 - HB2 LEU 101 - H THR 17 lone 4 81 - 5 - HB2 GLN 105 - H THR 116 lone 4 72 - 5 - 4771/3.8=1 HB3 PRO 70 - H THR 116 lone 4 44 - 8 - 3822/3.6=2, 582/4.6=2 HG3 GLU 69 - H THR 116 lone 3 65 - 5 - 7249/3.6=1 HG3 PRO 37 - H THR 17 lone 3 60 - 6 - 2.3/35=1 HG LEU 21 - H THR 116 lone 3 71 - 5 - HG2 GLU 64 - H THR 17 lone 3 99 - 3 - HB3 GLU 38 - H THR 17 lone 3 85 - 3 - HB2 LEU 101 - H THR 116 lone 2 51 - 5 - HB3 ARG 81 - H THR 17 lone 2 65 - 3 - 4.3/34=1 HB ILE 63 - H THR 116 lone 2 61 - 3 - HB2 ARG 57 - H THR 116 lone 2 70 - 3 - HB3 ARG 81 - H THR 116 lone 1 40 - 4 - HG2 GLU 64 - H THR 116 lone 1 70 - 2 - HG3 PRO 37 - H THR 116 lone 1 36 - 3 - HB3 GLU 38 - H THR 116 lone 1 55 - 2 - Peak 37 from nnoeabs.peaks (2.08, 7.99, 118.31 ppm; 3.39 A): 2 out of 28 assignments used, quality = 0.96: * HB3 GLN 16 + H THR 17 OK 80 100 - 80 - 4.1=56, 3.0/39=11...(16) HB2 GLN 16 + H THR 17 OK 80 100 - 80 - 4.1=56, 3.0/39=11...(16) HB2 GLU 15 - H THR 17 OK 31 99 - 31 - 4.6/34=9, 4.0/1539=6...(9) HG LEU 21 - H THR 17 OK 18 100 - 18 - 6407/4.0=5, 6331/3.0=3...(6) HB2 LEU 114 - H THR 17 OK 17 100 - 17 - 6339/4.0=3, 5063=2...(9) HB2 LEU 114 - H THR 116 OK 16 72 - 22 - 582/4.6=6, 3.0/6235=6...(5) HB2 GLU 15 - H THR 116 OK 13 70 - 18 - 3.0/5959=3, 4.0/1539=2...(7) HB3 GLN 16 - H THR 116 OK 10 72 - 14 - 4.0/34=3, 3.0/5449=2...(6) HB2 GLN 16 - H THR 116 OK 10 72 - 14 - 4.0/34=3, 3.0/5449=2...(6) HB2 GLN 105 - H THR 17 lone 9 100 - 9 - 3.0/38=2, 3.0/38=1...(4) HB ILE 63 - H THR 17 lone 8 90 - 9 - 4.0/34=2, 3505/4.6=1 HB2 ARG 57 - H THR 17 lone 5 99 - 5 - HB3 PRO 70 - H THR 17 lone 5 73 - 7 - 6355/4.7=1 HG3 GLU 69 - H THR 17 lone 5 97 - 5 - HB2 LEU 101 - H THR 17 lone 4 83 - 5 - HB3 PRO 70 - H THR 116 lone 4 46 - 8 - 3822/3.6=2, 582/4.6=2 HB2 GLN 105 - H THR 116 lone 4 72 - 5 - 4771/3.8=1 HG3 GLU 69 - H THR 116 lone 4 66 - 5 - 7249/3.6=1 HG LEU 21 - H THR 116 lone 3 72 - 5 - HG2 GLU 64 - H THR 17 lone 3 99 - 3 - HB3 GLU 38 - H THR 17 lone 3 83 - 3 - HB2 LEU 101 - H THR 116 lone 2 53 - 5 - 7730/4.1=1 HB3 ARG 81 - H THR 17 lone 2 63 - 3 - 4.3/34=1 HB ILE 63 - H THR 116 lone 2 59 - 3 - HB2 ARG 57 - H THR 116 lone 2 69 - 3 - HB3 ARG 81 - H THR 116 lone 1 38 - 4 - HG2 GLU 64 - H THR 116 lone 1 69 - 2 - HB3 GLU 38 - H THR 116 lone 1 53 - 2 - Peak 38 from nnoeabs.peaks (2.30, 7.99, 118.31 ppm; 4.45 A): 2 out of 14 assignments used, quality = 0.94: * HG2 GLN 16 + H THR 17 OK 92 100 - 92 - 5.0=72, 1.8/39=24...(13) HB VAL 120 + H THR 116 OK 23 70 - 33 - ~8061=8, 7991/4.1=8...(7) HG2 GLN 105 - H THR 17 OK 18 78 - 23 - 1938/3.6=5, 1970/5.0=3...(8) HG3 GLN 105 - H THR 17 OK 17 76 - 22 - 1938/3.6=5, 1970/5.0=3...(8) HG2 GLN 16 - H THR 116 OK 13 72 - 18 - 4.9/34=4, 1.8/39=3...(6) HG3 GLU 56 - H THR 17 lone 9 97 - 9 - 8303/4.6=3, 1938/3.6=2 HB VAL 120 - H THR 17 lone 6 99 - 6 - HB3 PRO 60 - H THR 17 lone 5 92 - 5 - 1938/3.6=1 HG2 GLN 105 - H THR 116 lone 4 49 - 7 - 7991/4.1=2 HG3 GLN 105 - H THR 116 lone 3 47 - 7 - 7991/4.1=2 HG3 GLU 56 - H THR 116 lone 2 66 - 3 - 8500/4.3=1 HB3 PRO 60 - H THR 116 lone 2 61 - 3 - HB2 LEU 54 - H THR 116 lone 2 42 - 5 - 3188/4.1=1, 7984/3.0=1 HB2 LEU 54 - H THR 17 lone 2 68 - 3 - Peak 39 from nnoeabs.peaks (2.40, 7.99, 118.31 ppm; 4.39 A): 3 out of 8 assignments used, quality = 0.94: * HG3 GLN 16 + H THR 17 OK 91 100 - 91 - 5.0=69, 1939/3.6=20...(15) HG2 GLU 15 + H THR 17 OK 24 60 - 41 - 4.6/1539=10, 1939/3.6=8...(10) HG3 GLN 16 + H THR 116 OK 12 72 - 17 - 5453=4, 4.9/34=3...(6) HG2 GLU 15 - H THR 116 poor 8 36 - 21 - 4.1/5959=4, 4.6/1539=4...(9) HG2 MET 11 - H THR 17 lone 5 85 - 6 - 1939/3.6=1 HB2 GLN 103 - H THR 17 lone 4 71 - 5 - 1939/3.6=1, 815/4.6=1 HG2 MET 11 - H THR 116 lone 3 55 - 6 - 1857/3.8=1 HB2 GLN 103 - H THR 116 lone 1 44 - 3 - Peak 42 from nnoeabs.peaks (7.99, 8.59, 122.52 ppm; 3.29 A): 3 out of 5 assignments used, quality = 0.87: * H THR 17 + H VAL 18 OK 68 100 - 68 - 4.7=35, 4.0/44=11...(13) H THR 19 + H VAL 18 OK 46 73 - 63 - 4.6=36, 4.5/1991=10...(12) H THR 116 + H VAL 18 OK 21 73 - 29 - 1432=7, 4.3/6354=3...(11) H LEU 114 - H VAL 18 lone 6 78 - 8 - 1982/4.4=2, 1974/3.5=1 HE ARG 85 - H VAL 18 lone 4 96 - 4 - Peak 43 from nnoeabs.peaks (4.23, 8.59, 122.52 ppm; 4.13 A): 1 out of 12 assignments used, quality = 1.00: * HA THR 17 + H VAL 18 OK 100 100 - 100 - 3.5=100 HB THR 19 - H VAL 18 OK 44 93 - 47 - 4.0/46=18, 4.4/1554=10...(10) HA SER 13 - H VAL 18 OK 23 85 - 27 - 4.9/5954=13, 5949/4.7=6...(7) HA ILE 22 - H VAL 18 OK 22 85 - 26 - ~5978=6, ~1566=5...(9) HA VAL 26 - H VAL 18 OK 12 93 - 13 - 5949/4.7=5, 1983/4.4=2...(4) HA LEU 58 - H VAL 18 OK 10 85 - 12 - 4.0/826=4, 4.0/826=3...(4) HA CYS 52 - H VAL 18 lone 6 95 - 6 - 1983/4.4=1, 1979/4.6=1 HA3 GLY 48 - H VAL 18 lone 5 95 - 5 - 829/4.6=2 HA VAL 66 - H VAL 18 lone 3 83 - 4 - HA ALA 89 - H VAL 18 lone 3 99 - 3 - HA GLU 64 - H VAL 18 lone 2 71 - 3 - HA LEU 126 - H VAL 18 lone 2 68 - 2 - Peak 44 from nnoeabs.peaks (4.33, 8.59, 122.52 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.88: * HB THR 17 + H VAL 18 OK 84 100 - 84 - 4.6=53, 2.8/8464=23...(13) HA PHE 40 + H VAL 18 OK 25 97 - 25 - 8393/4.0=7, 6019/4.4=4...(7) HA ASP 100 - H VAL 18 poor 8 76 - 11 - 3.0/8151=2, 8393/4.0=2, ~5973=1 HA CYS 76 - H VAL 18 lone 3 60 - 6 - 1976/3.5=1, 8393/4.0=1 HB2 SER 78 - H VAL 18 lone 1 60 - 1 - Peak 45 from nnoeabs.peaks (1.33, 8.59, 122.52 ppm; 4.09 A): 1 out of 9 assignments used, quality = 0.93: * QG2 THR 17 + H VAL 18 OK 93 100 - 93 - 4.4=80, 2.1/44=27...(10) HB3 LEU 84 - H VAL 18 OK 19 85 - 22 - 6357/3.0=5, 3.0/823=3...(10) QB ALA 43 - H VAL 18 OK 17 100 - 17 - 6020/4.6=6, 1977/3.5=3...(6) HG3 LYS 46 - H VAL 18 OK 12 100 - 12 - 1977/3.5=2, 1981/4.6=2...(4) HG2 LYS 46 - H VAL 18 OK 12 100 - 12 - 1977/3.5=2, 1981/4.6=2...(4) QG2 THR 23 - H VAL 18 lone 7 96 - 8 - 6357/3.0=2, 1977/3.5=2 HG3 LYS 119 - H VAL 18 lone 7 98 - 7 - 6357/3.0=1 HG CYS 87 - H VAL 18 lone 7 90 - 8 - 6357/3.0=2, ~6152=1, ~6154=1 HB3 LEU 59 - H VAL 18 lone 4 89 - 4 - Peak 46 from nnoeabs.peaks (8.59, 8.02, 113.87 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.81: * H VAL 18 + H THR 19 OK 74 100 - 74 - 4.6=47, 1991/4.5=12...(13) H ILE 34 + H THR 19 OK 26 100 - 26 - 1996/4.3=6, 1986/3.6=5...(7) H GLY 86 - H THR 19 lone 5 65 - 8 - 1986/3.6=2, 1554/4.6=1 H SER 29 - H THR 19 lone 4 71 - 6 - 1996/4.3=1, 1986/3.6=1 Peak 47 from nnoeabs.peaks (3.48, 8.02, 113.87 ppm; 4.27 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 18 + H THR 19 OK 100 100 - 100 - 3.6=100 HD3 PRO 70 - H THR 19 OK 26 85 - 31 - 1997/4.3=6, 1992/4.5=6...(7) HB3 SER 44 - H THR 19 poor 10 87 - 11 - 2875/3.6=2, 1997/4.3=2...(5) HA LEU 84 - H THR 19 poor 10 81 - 12 - 7485/4.3=3, 823/4.6=2...(4) HB2 SER 44 - H THR 19 poor 8 76 - 10 - 2872/3.6=3, 1997/4.3=2...(5) Peak 48 from nnoeabs.peaks (2.36, 8.02, 113.87 ppm; 3.32 A): 3 out of 9 assignments used, quality = 0.82: * HB VAL 18 + H THR 19 OK 69 100 - 69 - 4.5=41, 2.1/50=14...(10) HG2 GLU 15 + H THR 19 OK 28 97 - 29 - 4.1/5959=5, 1923/3.0=4...(12) HG2 PRO 70 + H THR 19 OK 18 98 - 19 - 1988/3.6=4, 2.3/47=4...(5) HB3 ASN 118 - H THR 19 lone 8 100 - 8 - 4.0/1784=2 HB2 GLN 103 - H THR 19 lone 6 93 - 6 - HG2 MET 11 - H THR 19 lone 5 83 - 6 - 5458=1, 1988/3.6=1 HB3 GLU 82 - H THR 19 lone 5 87 - 5 - HB2 GLU 82 - H THR 19 lone 5 87 - 5 - HB2 LEU 54 - H THR 19 lone 2 65 - 3 - Peak 49 from nnoeabs.peaks (1.21, 8.02, 113.87 ppm; 3.79 A): 2 out of 6 assignments used, quality = 0.92: * QG2 VAL 18 + H THR 19 OK 89 100 - 89 - 4.3=67, 2.1/48=19...(12) HB3 LEU 111 + H THR 19 OK 32 99 - 33 - 5882=6, 1.8/5881=5...(11) HB2 LEU 77 - H THR 19 OK 21 92 - 23 - 1989/3.6=3, 1994/4.5=2...(12) HB3 LEU 24 - H THR 19 OK 13 95 - 14 - 1989/3.6=5, 1994/4.5=3...(4) HG2 LYS 32 - H THR 19 OK 12 97 - 12 - 1.8/830=2, 1989/3.6=2...(5) HG LEU 77 - H THR 19 poor 10 63 - 16 - 3.7/828=2, 4013/4.3=2...(8) Peak 50 from nnoeabs.peaks (0.98, 8.02, 113.87 ppm; 3.66 A): 4 out of 9 assignments used, quality = 0.92: * QG1 VAL 18 + H THR 19 OK 83 100 - 83 - 4.3=61, 2.1/48=18...(11) QD2 LEU 58 + H THR 19 OK 30 98 - 30 - 5460=6, 2002/3.6=4...(11) QD1 LEU 58 + H THR 19 OK 25 89 - 29 - 2.1/5460=5, 1990/3.6=3...(12) QD1 LEU 101 + H THR 19 OK 13 100 - 13 - 2000/4.3=2, 1990/3.6=2...(6) HB3 LEU 27 - H THR 19 poor 8 78 - 10 - 1990/3.6=3, 2000/4.3=2...(4) HG3 LYS 65 - H THR 19 lone 4 100 - 4 - HG2 LYS 65 - H THR 19 lone 4 100 - 4 - QG2 THR 95 - H THR 19 lone 3 97 - 3 - QG2 ILE 124 - H THR 19 lone 2 65 - 4 - Peak 51 from nnoeabs.peaks (8.02, 8.28, 125.58 ppm; 3.63 A): 3 out of 4 assignments used, quality = 0.81: * H THR 19 + H TRP 20 OK 69 100 - 69 - 4.6=48, 4.0/5462=14...(8) H THR 17 + H TRP 20 OK 26 73 - 36 - 3.0/5966=11, 3.6/5964=10...(8) H THR 116 + H TRP 20 OK 19 100 - 19 - 2014/4.2=4, 2010/4.4=4...(5) H SER 112 - H TRP 20 lone 8 92 - 9 - 3.0/1556=2, 4.6/836=1...(4) Peak 52 from nnoeabs.peaks (3.84, 8.28, 125.58 ppm; 4.14 A): 1 out of 12 assignments used, quality = 1.00: * HA THR 19 + H TRP 20 OK 100 100 - 100 - 3.6=100 HA THR 116 - H TRP 20 OK 26 95 - 27 - 3.0/51=5, 5461=5...(7) HA GLU 15 - H TRP 20 OK 25 99 - 25 - 5959/4.6=8, 5956/1554=4...(7) HA THR 33 - H TRP 20 OK 11 87 - 12 - 3.6/1554=6, 1558/4.7=2 HA LYS 119 - H TRP 20 lone 9 97 - 10 - 2015/4.2=2, 2011/4.4=2...(4) HA LEU 77 - H TRP 20 lone 9 100 - 9 - 2015/4.2=2, 828/4.6=2...(4) HB THR 33 - H TRP 20 poor 9 85 - 10 - 4.6/1554=5, 1558/4.7=1...(4) HA3 GLY 104 - H TRP 20 lone 7 95 - 8 - 1.8/833=2, ~2020=1, 4760/4.0=1 HB3 SER 29 - H TRP 20 lone 4 57 - 7 - 4.8/833=3, 3.9/1554=1 HB2 SER 35 - H TRP 20 lone 2 93 - 3 - HB2 SER 13 - H TRP 20 lone 3 63 - 4 - 3.0/1555=1 HA3 GLY 88 - H TRP 20 lone 2 60 - 3 - Peak 53 from nnoeabs.peaks (4.25, 8.28, 125.58 ppm; 3.32 A): 2 out of 11 assignments used, quality = 0.79: * HB THR 19 + H TRP 20 OK 65 100 - 65 - 4.4=42, 2.1/5463=18...(8) HA THR 17 + H TRP 20 OK 40 93 - 42 - 5966=9, 5967/4.0=8...(11) HA3 GLY 48 - H TRP 20 lone 9 100 - 9 - 6887/3.6=3, 2016/4.2=2 HA LEU 58 - H TRP 20 lone 8 100 - 8 - 4.0/7051=2, 829/4.6=1...(4) HA CYS 52 - H TRP 20 lone 5 65 - 7 - 3.0/836=3, 5970/4.0=1 HA VAL 26 - H TRP 20 lone 4 63 - 6 - 1561/4.7=2 HA ALA 89 - H TRP 20 lone 3 99 - 3 - HA GLU 64 - H TRP 20 lone 2 97 - 3 - HA GLN 103 - H TRP 20 lone 2 65 - 2 - HA ALA 122 - H TRP 20 lone 1 76 - 1 - HA GLU 94 - H TRP 20 lone 1 76 - 1 - Peak 54 from nnoeabs.peaks (1.26, 8.28, 125.58 ppm; 3.88 A): 4 out of 8 assignments used, quality = 0.95: * QG2 THR 19 + H TRP 20 OK 92 100 - 92 - 4.2=80, 2.1/5462=25...(6) QG2 THR 116 + H TRP 20 OK 17 96 - 18 - 5126/4.6=4, 5127/3.6=4...(5) QD1 ILE 80 + H TRP 20 OK 15 97 - 16 - 7411/3.6=4, 2013/4.4=3 QG2 ILE 80 + H TRP 20 OK 13 97 - 14 - 8351/4.4=4, 7408/3.6=3 HG LEU 77 - H TRP 20 lone 4 73 - 6 - 4012/3.6=2, 830/4.6=1 HG3 LYS 32 - H TRP 20 lone 4 100 - 3 - HG13 ILE 124 - H TRP 20 lone 2 87 - 2 - HG LEU 54 - H TRP 20 lone 1 71 - 2 - Peak 55 from nnoeabs.peaks (8.28, 8.21, 116.61 ppm; 3.33 A): 4 out of 5 assignments used, quality = 0.87: * H TRP 20 + H LEU 21 OK 64 100 - 64 - 1435=39, 834/4.5=13...(12) H ILE 22 + H LEU 21 OK 49 73 - 67 - 4.6=37, 4.6/1569=9...(14) H GLU 69 + H LEU 21 OK 17 92 - 18 - 2018/3.6=4, 3.0/56=3...(7) H CYS 87 + H LEU 21 OK 13 65 - 20 - 3.6/57=3, 5472/3.0=3...(8) H VAL 49 - H LEU 21 lone 3 68 - 4 - Peak 56 from nnoeabs.peaks (4.60, 8.21, 116.61 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 20 + H LEU 21 OK 100 100 - 100 - 3.6=100 HA GLU 69 - H LEU 21 OK 35 89 - 40 - 832/4.7=7, 3.8/1560=7...(12) HA LEU 45 - H LEU 21 OK 31 100 - 31 - 2039/4.5=7, 2029/4.5=6...(7) HA ASP 47 - H LEU 21 poor 10 90 - 10 - 832/4.7=2, 2039/4.5=2...(4) Peak 57 from nnoeabs.peaks (3.70, 8.21, 116.61 ppm; 3.87 A): 3 out of 5 assignments used, quality = 0.89: * HB2 TRP 20 + H LEU 21 OK 84 100 - 84 - 4.5=64, 1.8/5466=26...(8) HA3 GLY 86 + H LEU 21 OK 21 90 - 24 - 3.6/1436=5, 1.8/842=4...(9) HD3 PRO 30 + H LEU 21 OK 14 92 - 16 - 2020/3.6=5, 2040/4.5=4 HA2 GLY 104 - H LEU 21 lone 6 98 - 6 - 2020/3.6=1, 1.8/1558=1...(4) HB3 SER 90 - H LEU 21 lone 1 63 - 2 - Peak 58 from nnoeabs.peaks (3.22, 8.21, 116.61 ppm; 4.03 A): 2 out of 5 assignments used, quality = 0.90: * HB3 TRP 20 + H LEU 21 OK 88 100 - 88 - 4.5=72, 1.8/5465=28...(8) HA GLN 42 + H LEU 21 OK 16 97 - 17 - 2021/3.6=3, 6786/4.7=3...(6) HD2 ARG 71 - H LEU 21 lone 7 100 - 7 - 2021/3.6=2, 2031/4.5=2 HB3 PHE 83 - H LEU 21 lone 6 92 - 7 - 2021/3.6=1, 2031/4.5=1 HD2 ARG 81 - H LEU 21 lone 3 76 - 4 - Peak 60 from nnoeabs.peaks (7.55, 8.21, 116.61 ppm; 4.43 A): 3 out of 4 assignments used, quality = 0.77: * HE3 TRP 20 + H LEU 21 OK 61 99 - 61 - 4.2/5466=21, 4.2/5465=21...(8) H CYS 52 + H LEU 21 OK 28 90 - 32 - 1614/3.0=8, 6394/4.7=6...(9) H CYS 76 + H LEU 21 OK 16 99 - 16 - 6394/4.7=3, 836/4.7=3...(7) H SER 113 - H LEU 21 poor 8 76 - 10 - 836/4.7=2, 6394/4.7=1...(6) Peak 65 from nnoeabs.peaks (8.21, 8.30, 119.46 ppm; 3.63 A): 3 out of 3 assignments used, quality = 0.85: * H LEU 21 + H ILE 22 OK 78 100 - 78 - 4.6=48, 1569/4.6=11...(14) H MET 11 + H ILE 22 OK 23 100 - 23 - 2098/3.6=5, 2112/4.6=4...(6) H ASP 100 + H ILE 22 OK 12 87 - 13 - 2098/3.6=3, 2112/4.6=2...(5) Peak 66 from nnoeabs.peaks (3.38, 8.30, 119.46 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 21 + H ILE 22 OK 100 100 - 100 - 3.6=100 HA VAL 50 - H ILE 22 OK 40 99 - 40 - 2134/5.0=8, 2113/4.6=8...(11) HA2 GLY 86 - H ILE 22 OK 26 65 - 39 - 3.0/1489=10, 1.8/5777=8...(11) HB3 PHE 40 - H ILE 22 lone 3 63 - 5 - Peak 67 from nnoeabs.peaks (1.93, 8.30, 119.46 ppm; 3.16 A): 3 out of 19 assignments used, quality = 0.92: HB ILE 22 + H ILE 22 OK 71 89 - 80 - 3.9=52, 2.1/2154=13...(17) * HB2 LEU 21 + H ILE 22 OK 64 100 - 64 - 4.6=32, 3.8/65=11...(11) HG LEU 58 + H ILE 22 OK 20 99 - 20 - 7068/5.0=4, 2.1/7051=3...(7) HB2 LEU 84 - H ILE 22 OK 19 76 - 25 - 4.3/1437=5, 3.0/6150=5...(11) HB ILE 80 - H ILE 22 OK 16 100 - 16 - 3.2/6430=3, 2.1/6430=2...(4) HB3 ARG 85 - H ILE 22 OK 12 81 - 15 - 4.0/1437=5, 3.0/6156=4...(4) HB2 ARG 85 - H ILE 22 OK 12 81 - 15 - 4.0/1437=5, 3.0/6156=4...(4) HB2 GLU 28 - H ILE 22 OK 12 78 - 15 - 6564/4.0=3, 1.8/852=2...(7) HB3 GLU 69 - H ILE 22 OK 10 89 - 12 - 1.8/852=2, 3.0/1563=2...(4) HB3 GLU 73 - H ILE 22 poor 9 92 - 10 - 2.9/852=2, 2.9/852=2 HB3 MET 11 - H ILE 22 lone 8 97 - 8 - 4.1/65=3 HB3 LYS 119 - H ILE 22 lone 7 89 - 8 - 3.0/1565=2, 8033/4.9=1 HB2 GLU 38 - H ILE 22 lone 5 92 - 5 - 4.4/1567=1 HB3 PRO 30 - H ILE 22 lone 4 81 - 6 - 8033/4.9=2 HB3 GLU 64 - H ILE 22 lone 4 98 - 4 - HB2 LYS 109 - H ILE 22 lone 4 97 - 4 - HB2 ARG 81 - H ILE 22 lone 4 87 - 5 - HB2 GLU 64 - H ILE 22 lone 4 97 - 4 - HB3 GLU 94 - H ILE 22 lone 1 65 - 1 - Peak 68 from nnoeabs.peaks (1.05, 8.30, 119.46 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.93: * HB3 LEU 21 + H ILE 22 OK 91 100 - 91 - 4.6=75, 3.8/65=20...(16) QD2 LEU 101 + H ILE 22 OK 25 87 - 28 - 2101/3.6=6, 2136/5.0=5...(6) QG2 THR 33 - H ILE 22 OK 18 100 - 18 - 4.0/1567=3, 3.2/1565=3...(8) QG1 VAL 120 - H ILE 22 OK 17 85 - 20 - 2101/3.6=3, 2108/4.6=2...(6) HG13 ILE 34 - H ILE 22 OK 16 95 - 17 - 2101/3.6=4, 2108/4.6=3...(7) Peak 69 from nnoeabs.peaks (2.08, 8.30, 119.46 ppm; 4.68 A): 5 out of 13 assignments used, quality = 0.92: * HG LEU 21 + H ILE 22 OK 78 100 - 78 - 2.1/71=24, 2.1/5476=20...(14) HB2 LEU 101 + H ILE 22 OK 26 89 - 29 - 4657/4.6=6, 3.1/68=5...(7) HG3 GLU 69 + H ILE 22 OK 23 99 - 23 - 4.0/1563=5, 845/4.6=3...(9) HB2 ARG 57 + H ILE 22 OK 20 97 - 21 - 8503/5.0=5, 2130/5.0=3...(6) HB ILE 63 + H ILE 22 OK 20 85 - 23 - 3.2/851=2, ~7146=2...(13) HB2 LEU 114 - H ILE 22 OK 19 100 - 19 - 3.1/853=2, 2137/5.0=2...(9) HB3 GLN 16 - H ILE 22 OK 17 100 - 17 - 3.0/5964=2, 845/4.6=2...(7) HB2 GLN 16 - H ILE 22 OK 17 100 - 17 - 3.0/5964=2, 845/4.6=2...(7) HB2 GLU 15 - H ILE 22 OK 16 100 - 16 - 3.0/1565=3, 4.0/1437=2...(4) HB3 PRO 70 - H ILE 22 OK 15 81 - 19 - 3.0/1566=5, 2102/3.6=2...(9) HG2 GLU 64 - H ILE 22 poor 10 97 - 10 - 2102/3.6=1, 845/4.6=1 HB3 GLU 38 - H ILE 22 poor 9 76 - 12 - 4.4/1567=3, 8503/5.0=2 HB2 GLN 105 - H ILE 22 lone 9 99 - 9 - 4.0/1567=2 Peak 70 from nnoeabs.peaks (0.65, 8.30, 119.46 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.97: * QD1 LEU 21 + H ILE 22 OK 94 100 - 94 - 5.0=73, 2.1/71=22...(20) QD2 LEU 24 + H ILE 22 OK 56 98 - 58 - 4.8/1573=12, 6463/5.0=12...(13) QG2 VAL 26 - H ILE 22 OK 32 60 - 54 - 4.1/6541=15, 8215/3.6=11...(13) QD1 LEU 45 - H ILE 22 OK 26 98 - 26 - 4.0/1563=4, 2103/3.6=4...(7) Peak 71 from nnoeabs.peaks (0.23, 8.30, 119.46 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 21 + H ILE 22 OK 99 100 - 99 - 5.0=96, 2104/3.6=30...(18) QD1 LEU 54 + H ILE 22 OK 46 85 - 55 - 2104/3.6=14, 2118/4.6=10...(12) Peak 72 from nnoeabs.peaks (8.30, 8.74, 120.32 ppm; 3.39 A): 3 out of 5 assignments used, quality = 0.86: * H ILE 22 + H THR 23 OK 70 100 - 70 - 4.6=39, 3.9/5479=10...(11) H CYS 87 + H THR 23 OK 38 100 - 38 - 1701=7, 2154/4.1=5...(11) H TRP 20 + H THR 23 OK 24 73 - 32 - 3.0/1570=10, 4.7/1569=10...(8) H THR 62 - H THR 23 lone 6 68 - 9 - 2154/4.1=1, 2140/3.6=1 H GLY 125 - H THR 23 lone 5 78 - 6 - Peak 73 from nnoeabs.peaks (4.21, 8.74, 120.32 ppm; 4.13 A): 1 out of 10 assignments used, quality = 1.00: * HA ILE 22 + H THR 23 OK 100 100 - 100 - 3.6=100 HA VAL 26 - H THR 23 OK 24 100 - 25 - 1572/4.6=5, 849/4.6=4...(7) HA VAL 66 - H THR 23 OK 18 100 - 17 - 2155/4.1=3, 2148/4.4=3...(7) HA THR 17 - H THR 23 OK 16 85 - 19 - 5966/4.6=3, 3.2/858=3...(8) HA SER 13 - H THR 23 OK 15 100 - 15 - 2155/4.1=3, 2148/4.4=2...(6) HA CYS 52 - H THR 23 lone 10 99 - 10 - 6947/4.1=2, 2148/4.4=2 HA LEU 126 - H THR 23 lone 7 99 - 7 - 5387/4.1=2, 2148/4.4=1 HA3 GLY 61 - H THR 23 lone 4 78 - 5 - 3.6/72=1 HA PRO 68 - H THR 23 lone 4 60 - 6 - 3.8/76=1 HA ALA 89 - H THR 23 lone 2 65 - 3 - Peak 74 from nnoeabs.peaks (1.91, 8.74, 120.32 ppm; 3.47 A): 4 out of 17 assignments used, quality = 0.94: * HB ILE 22 + H THR 23 OK 79 100 - 79 - 4.4=49, 2.1/5480=16...(11) HB2 LEU 84 + H THR 23 OK 44 99 - 44 - 1.8/858=8, 3.0/5763=6...(15) HB2 LEU 21 + H THR 23 OK 30 89 - 34 - 3.8/1569=12, 4.6/1437=9...(8) HG LEU 84 + H THR 23 OK 29 81 - 36 - 3.0/5765=6, 2.1/5767=5...(13) HB2 GLU 28 - H THR 23 OK 14 100 - 15 - 6564/4.1=5, 1.8/76=2...(4) HG LEU 55 - H THR 23 OK 11 71 - 16 - 2.1/77=4, 2.1/75=3...(4) HB2 ARG 81 - H THR 23 lone 9 100 - 9 - 3.0/6138=3 HB3 GLU 73 - H THR 23 lone 8 100 - 8 - 2.9/76=1, 2.9/76=1, 2156/4.1=1 HB ILE 80 - H THR 23 lone 7 95 - 8 - 2142/3.6=1 HB2 LYS 119 - H THR 23 lone 7 73 - 9 - 3.0/1571=2, 2.9/858=1 HG LEU 58 - H THR 23 lone 6 76 - 8 - 8200/4.6=1 HB3 MET 11 - H THR 23 lone 5 99 - 5 - 4.1/1569=2 HB3 LYS 31 - H THR 23 lone 2 73 - 3 - HB2 LYS 109 - H THR 23 lone 2 63 - 3 - HB VAL 50 - H THR 23 lone 2 73 - 3 - HB3 GLU 64 - H THR 23 lone 1 68 - 2 - HB2 GLU 64 - H THR 23 lone 1 63 - 2 - Peak 75 from nnoeabs.peaks (0.92, 8.74, 120.32 ppm; 3.60 A): 3 out of 11 assignments used, quality = 0.94: * QG2 ILE 22 + H THR 23 OK 89 100 - 89 - 4.1=67, 2.1/5479=18...(13) QD2 LEU 27 + H THR 23 OK 28 100 - 28 - 6537/4.6=7, 2143/3.6=4...(8) QD1 LEU 27 + H THR 23 OK 25 100 - 25 - 6538/4.6=5, 2143/3.6=4...(7) QG2 VAL 115 - H THR 23 OK 19 100 - 19 - 7975/3.6=5, 2.1/77=4...(5) QD1 LEU 55 - H THR 23 OK 18 97 - 19 - 2.1/77=5, 2143/3.6=3...(6) QD1 ILE 63 - H THR 23 OK 12 89 - 13 - 7146/3.6=3, 6453/3.0=1...(4) QD1 LEU 41 - H THR 23 OK 12 99 - 12 - 2.1/76=2, 6538/4.6=2...(5) QG2 VAL 49 - H THR 23 lone 5 100 - 5 - QD1 LEU 126 - H THR 23 lone 4 90 - 5 - 5411/3.6=1 HB2 GLN 42 - H THR 23 lone 4 99 - 4 - QD1 LEU 117 - H THR 23 lone 4 92 - 4 - Peak 76 from nnoeabs.peaks (1.85, 8.74, 120.32 ppm; 4.16 A): 6 out of 13 assignments used, quality = 0.86: * HG12 ILE 22 + H THR 23 OK 73 100 - 73 - 2.9/5479=20, 2.1/78=19...(10) HB3 GLU 28 + H THR 23 OK 15 81 - 18 - 2158/4.1=4, 2151/4.4=4...(6) HG LEU 41 + H THR 23 OK 14 92 - 15 - 2144/3.6=3, 2158/4.1=2...(5) HG3 GLU 73 + H THR 23 OK 12 99 - 12 - 2144/3.6=3, 2151/4.4=2...(5) HG2 GLU 73 + H THR 23 OK 12 98 - 12 - 2144/3.6=2, 2151/4.4=2...(5) HB2 GLU 69 + H THR 23 OK 10 93 - 11 - 3.0/1570=3, 852/4.6=2...(4) HG13 ILE 63 - H THR 23 poor 7 65 - 11 - 2.1/75=2, 8311/3.6=2...(6) HG3 PRO 68 - H THR 23 lone 7 81 - 9 - 2158/4.1=1 HB2 LEU 58 - H THR 23 lone 7 76 - 9 - 2158/4.1=1, 2151/4.4=1...(4) HG3 ARG 53 - H THR 23 lone 5 83 - 6 - 2144/3.6=2, 852/4.6=1 HB3 LYS 109 - H THR 23 lone 5 89 - 6 - HB3 GLN 105 - H THR 23 lone 3 60 - 5 - 4.0/1438=2 HB2 ARG 92 - H THR 23 lone 1 65 - 2 - Peak 77 from nnoeabs.peaks (0.84, 8.74, 120.32 ppm; 4.23 A): 5 out of 8 assignments used, quality = 0.91: * HG13 ILE 22 + H THR 23 OK 74 100 - 74 - 2.9/5479=20, 3.2/5480=19...(10) QD2 LEU 55 + H THR 23 OK 33 97 - 34 - 7005/4.6=6, 2145/3.6=6...(11) QG1 VAL 115 + H THR 23 OK 27 99 - 27 - 2159/4.1=6, 2145/3.6=5...(7) QD1 LEU 59 + H THR 23 OK 16 100 - 16 - 2145/3.6=3, 2159/4.1=3...(4) QD1 LEU 93 + H THR 23 OK 13 98 - 13 - 2159/4.1=3, 2145/3.6=2...(4) QD2 LEU 114 - H THR 23 poor 10 93 - 11 - 2145/3.6=1, 853/4.6=1...(4) QD2 LEU 91 - H THR 23 lone 6 78 - 8 - 3.9/857=2 HB2 ASN 118 - H THR 23 lone 4 90 - 4 - Peak 78 from nnoeabs.peaks (0.80, 8.74, 120.32 ppm; 4.14 A): 4 out of 7 assignments used, quality = 0.84: * QD1 ILE 22 + H THR 23 OK 74 100 - 74 - 5483=20, 3.0/5480=19...(10) QD1 LEU 111 + H THR 23 OK 24 100 - 24 - 2146/3.6=6, 2160/4.1=6...(5) QG1 VAL 115 + H THR 23 OK 11 60 - 19 - 2.1/75=4, 2160/4.1=3...(6) QD2 LEU 91 + H THR 23 OK 11 92 - 12 - 2146/3.6=2, 2160/4.1=2...(5) QG2 VAL 66 - H THR 23 poor 9 63 - 14 - 2146/3.6=3, 3.2/73=3...(5) QD1 LEU 93 - H THR 23 lone 5 63 - 8 - 2160/4.1=1, 2146/3.6=1...(4) HB2 ASN 118 - H THR 23 lone 4 81 - 4 - Peak 79 from nnoeabs.peaks (8.74, 8.09, 119.66 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.84: * H THR 23 + H LEU 24 OK 75 100 - 75 - 4.6=49, 4.0/81=16...(10) H ARG 85 + H LEU 24 OK 35 100 - 35 - 2182/3.6=8, 2190/4.3=6...(12) H GLU 15 - H LEU 24 lone 4 71 - 6 - 3.7/863=1 Peak 80 from nnoeabs.peaks (3.94, 8.09, 119.66 ppm; 4.06 A): 2 out of 10 assignments used, quality = 1.00: * HA THR 23 + H LEU 24 OK 100 100 - 100 - 3.6=100 HA2 GLY 25 + H LEU 24 OK 57 100 - 58 - 3.0/1439=23, 1.8/860=11...(10) HA ARG 85 - H LEU 24 OK 35 100 - 35 - 3.0/79=11, 4274/4.6=7...(10) HA SER 74 - H LEU 24 OK 15 93 - 16 - 6091=3, 4.7/6093=2...(6) HA ALA 43 - H LEU 24 lone 7 93 - 8 - 2.1/82=1 HA3 GLY 125 - H LEU 24 lone 4 87 - 5 - 3.0/1573=1 HA2 GLY 125 - H LEU 24 lone 4 87 - 5 - 3.0/1573=1 HD3 PRO 68 - H LEU 24 lone 4 83 - 5 - HD2 PRO 68 - H LEU 24 lone 4 78 - 5 - HB THR 62 - H LEU 24 lone 4 83 - 5 - Peak 81 from nnoeabs.peaks (4.51, 8.09, 119.66 ppm; 3.63 A): 1 out of 5 assignments used, quality = 0.77: * HB THR 23 + H LEU 24 OK 77 100 - 77 - 4.4=56, 2.1/5486=22...(7) HA LEU 91 - H LEU 24 lone 8 98 - 8 - 2184/3.6=1, 3.7/861=1...(4) HA LEU 27 - H LEU 24 lone 7 81 - 9 - 857/4.6=2, 2184/3.6=2 HA PRO 30 - H LEU 24 lone 5 95 - 5 - HA LEU 101 - H LEU 24 lone 3 76 - 3 - Peak 82 from nnoeabs.peaks (1.32, 8.09, 119.66 ppm; 3.78 A): 2 out of 9 assignments used, quality = 0.94: * QG2 THR 23 + H LEU 24 OK 91 100 - 91 - 4.3=67, 2.1/81=28...(14) HB3 LEU 84 + H LEU 24 OK 26 99 - 27 - 4.3/79=7, 2185/3.6=5...(7) HG3 LYS 46 - H LEU 24 OK 24 96 - 25 - 8478/3.0=4, 2.9/863=4...(11) HG2 LYS 46 - H LEU 24 OK 24 96 - 25 - 8478/3.0=4, 2.9/863=4...(11) QG2 THR 17 - H LEU 24 OK 14 96 - 15 - 8194/4.8=3, 8194/864=2...(7) HG3 LYS 119 - H LEU 24 OK 13 100 - 13 - 1.8/863=2, 8478/3.0=2...(6) HG CYS 87 - H LEU 24 lone 8 100 - 8 - 5.6/1573=3 QB ALA 43 - H LEU 24 lone 5 89 - 6 - 2185/3.6=1 HB3 LEU 59 - H LEU 24 lone 1 60 - 2 - Peak 83 from nnoeabs.peaks (8.09, 7.82, 105.62 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.83: * H LEU 24 + H GLY 25 OK 78 100 - 78 - 4.7=42, 3.0/84=12...(15) H SER 78 + H GLY 25 OK 24 92 - 26 - 1481=6, 2194/3.6=3...(10) H THR 33 - H GLY 25 poor 10 95 - 10 - 2194/3.6=2, 2208/4.6=2...(4) H GLY 39 - H GLY 25 lone 9 99 - 9 - 2194/3.6=2, 2208/4.6=1...(4) HD22 ASN 79 - H GLY 25 lone 8 85 - 9 - 6482/4.6=1, 2194/3.6=1 H GLN 105 - H GLY 25 lone 7 100 - 7 - 2194/3.6=1 Peak 84 from nnoeabs.peaks (4.10, 7.82, 105.62 ppm; 3.32 A): 2 out of 7 assignments used, quality = 0.99: * HA LEU 24 + H GLY 25 OK 90 100 - 90 - 3.6=80, 3.0/1439=16...(14) HA3 GLY 25 + H GLY 25 OK 90 90 - 100 - 3.0=100 HA ARG 57 - H GLY 25 OK 16 90 - 18 - 3.6/87=3, 2209/4.6=2...(7) HB3 SER 78 - H GLY 25 poor 7 60 - 12 - 3.9/83=3, 1.8/5734=2...(4) HA LYS 31 - H GLY 25 lone 4 93 - 4 - HA VAL 120 - H GLY 25 lone 2 93 - 3 - HA SER 44 - H GLY 25 lone 1 60 - 1 - Peak 85 from nnoeabs.peaks (1.51, 7.82, 105.62 ppm; 4.22 A): 1 out of 10 assignments used, quality = 0.94: * HB2 LEU 24 + H GLY 25 OK 94 100 - 94 - 4.6=75, 3.9/1439=20...(16) HG2 ARG 85 - H GLY 25 OK 21 99 - 22 - 5.0/6481=5, 861/4.7=3...(9) HB3 LEU 58 - H GLY 25 OK 18 85 - 22 - 2210/4.6=5, 2196/3.6=5...(7) HD3 LYS 46 - H GLY 25 OK 14 78 - 18 - 1.8/87=3, 2196/3.6=3...(5) HG LEU 91 - H GLY 25 lone 7 89 - 7 - 2196/3.6=2, 2210/4.6=1 HG LEU 93 - H GLY 25 lone 6 93 - 6 - 2196/3.6=1, 2210/4.6=1 HB3 LEU 114 - H GLY 25 lone 5 99 - 5 - 2196/3.6=1 HG3 ARG 92 - H GLY 25 lone 5 100 - 5 - 2196/3.6=1, 2210/4.6=1 HG2 ARG 92 - H GLY 25 lone 5 100 - 5 - 2196/3.6=1, 2210/4.6=1 HG2 LYS 109 - H GLY 25 lone 3 68 - 5 - Peak 86 from nnoeabs.peaks (1.22, 7.82, 105.62 ppm; 4.46 A): 1 out of 7 assignments used, quality = 0.98: * HB3 LEU 24 + H GLY 25 OK 98 100 - 98 - 4.6=89, 1.8/85=22...(17) HG LEU 77 - H GLY 25 OK 29 92 - 31 - 2197/3.6=6, 2.1/88=5...(11) QG2 VAL 18 - H GLY 25 OK 18 95 - 19 - 2197/3.6=4, 2204/4.6=3...(7) HB2 LEU 77 - H GLY 25 OK 17 63 - 28 - 4.3/83=5, 3.1/88=4...(10) HB3 LEU 111 - H GLY 25 OK 11 100 - 11 - 2197/3.6=2, 2204/4.6=1 HG2 LYS 32 - H GLY 25 OK 10 100 - 10 - 2197/3.6=3, 862/4.7=2...(4) HG13 ILE 124 - H GLY 25 lone 6 81 - 7 - Peak 87 from nnoeabs.peaks (1.45, 7.82, 105.62 ppm; 4.32 A): 4 out of 15 assignments used, quality = 0.88: * HG LEU 24 + H GLY 25 OK 70 100 - 70 - 2.1/88=19, 3.0/85=17...(12) HG3 ARG 57 + H GLY 25 OK 37 89 - 43 - 3.5/1440=7, ~6484=5...(17) HD2 LYS 46 + H GLY 25 OK 20 99 - 20 - 2198/3.6=4, 1.8/85=3...(6) HB3 LEU 45 + H GLY 25 OK 18 100 - 18 - 3.1/88=3, 2198/3.6=3...(6) QB ALA 14 - H GLY 25 poor 10 92 - 10 - 6303/4.6=3, 2198/3.6=1 HB3 LEU 101 - H GLY 25 lone 9 97 - 9 - 7720/4.6=3 HB3 GLU 75 - H GLY 25 lone 8 100 - 7 - 3.0/6098=2 HG3 LYS 31 - H GLY 25 lone 7 95 - 7 - 2198/3.6=2, 863/4.7=1 HG2 LYS 119 - H GLY 25 lone 6 97 - 7 - 2198/3.6=2, 863/4.7=1 HB2 LEU 93 - H GLY 25 lone 6 92 - 6 - 2198/3.6=1, 3.0/85=1 QB ALA 98 - H GLY 25 lone 6 65 - 9 - 3.5/1265=2, 7656/4.6=1 HB3 LEU 91 - H GLY 25 lone 6 81 - 7 - 2198/3.6=1, 3.0/85=1, 2212/4.6=1 HD2 LYS 65 - H GLY 25 lone 4 99 - 4 - HD3 LYS 65 - H GLY 25 lone 4 99 - 4 - QB ALA 89 - H GLY 25 lone 4 97 - 4 - Peak 88 from nnoeabs.peaks (0.66, 7.82, 105.62 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.91: * QD2 LEU 24 + H GLY 25 OK 78 100 - 78 - 2199/3.6=21, 5491=19...(15) QD1 LEU 21 + H GLY 25 OK 36 98 - 37 - 2199/3.6=9, 2213/4.6=8...(8) QD1 LEU 77 + H GLY 25 OK 20 68 - 29 - 2.1/86=5, 2199/3.6=5...(10) QD1 LEU 45 + H GLY 25 OK 17 87 - 19 - 2199/3.6=4, 2213/4.6=3...(6) Peak 90 from nnoeabs.peaks (7.82, 7.25, 109.76 ppm; 3.33 A): 2 out of 5 assignments used, quality = 0.74: * H GLY 25 + H VAL 26 OK 66 100 - 66 - 4.6=37, 6489/3.0=9...(10) HD21 ASN 99 + H VAL 26 OK 25 97 - 25 - 1.7/1441=8, 6540/4.7=4...(7) H ASN 79 - H VAL 26 poor 8 81 - 10 - 6540/4.7=2, 2239/3.6=1...(4) HD21 ASN 106 - H VAL 26 lone 4 99 - 4 - H PHE 83 - H VAL 26 lone 2 60 - 3 - Peak 91 from nnoeabs.peaks (3.94, 7.25, 109.76 ppm; 4.01 A): 1 out of 10 assignments used, quality = 1.00: * HA2 GLY 25 + H VAL 26 OK 100 100 - 100 - 3.6=100 HA THR 23 - H VAL 26 OK 32 100 - 32 - 3.6/6482=11, 6445/4.6=11...(6) HA ARG 85 - H VAL 26 lone 7 100 - 7 - 867/4.6=2, 2240/3.6=1 HA2 GLY 125 - H VAL 26 lone 4 87 - 4 - HA3 GLY 125 - H VAL 26 lone 4 87 - 4 - HA SER 74 - H VAL 26 lone 3 93 - 4 - HB THR 62 - H VAL 26 lone 2 83 - 3 - HA ALA 43 - H VAL 26 lone 2 93 - 2 - HD3 PRO 68 - H VAL 26 lone 2 83 - 2 - HD2 PRO 68 - H VAL 26 lone 2 78 - 2 - Peak 92 from nnoeabs.peaks (4.11, 7.25, 109.76 ppm; 3.89 A): 2 out of 10 assignments used, quality = 1.00: * HA3 GLY 25 + H VAL 26 OK 100 100 - 100 - 3.6=100 HA LEU 24 + H VAL 26 OK 62 90 - 68 - 3.6/90=18, 4.0/6491=17...(11) HA ARG 57 - H VAL 26 OK 37 100 - 37 - 7035/4.0=7, 7035/4.0=7...(12) HA PRO 37 - H VAL 26 poor 10 60 - 16 - 2.3/871=3, 3.8/871=3...(6) HB3 SER 78 - H VAL 26 lone 8 95 - 9 - 4.5/90=2, 5735/4.6=2, 2238/3.6=1 HA ALA 98 - H VAL 26 poor 8 76 - 11 - 2.1/6495=3, 7657=2, 3.0/7658=1 HA ILE 63 - H VAL 26 lone 5 73 - 7 - 4.2/6492=1 HA ILE 124 - H VAL 26 lone 3 65 - 4 - HA ASN 108 - H VAL 26 lone 2 60 - 4 - HB3 SER 72 - H VAL 26 lone 1 71 - 1 - Peak 93 from nnoeabs.peaks (7.25, 6.76, 120.67 ppm; 2.93 A): 3 out of 7 assignments used, quality = 0.71: * H VAL 26 + H LEU 27 OK 61 100 - 61 - 1441=27, 3.0/94=9...(16) QE PHE 96 + H LEU 27 OK 18 100 - 18 - 4725/4.1=3, 4725/4.1=3...(6) HE ARG 57 + H LEU 27 OK 11 93 - 11 - 2252/4.1=3, 2257/4.1=3...(4) QD TYR 102 - H LEU 27 poor 9 68 - 13 - 6539/3.0=3, 4744/4.0=1...(4) QD PHE 96 - H LEU 27 poor 8 76 - 11 - 2252/4.1=2, 2257/4.1=2...(4) QE PHE 40 - H LEU 27 poor 7 60 - 12 - 6534/4.4=3, 6539/3.0=2...(4) HE ARG 71 - H LEU 27 lone 3 100 - 3 - Peak 94 from nnoeabs.peaks (4.22, 6.76, 120.67 ppm; 3.25 A): 2 out of 11 assignments used, quality = 0.95: * HA VAL 26 + H LEU 27 OK 88 100 - 88 - 3.6=75, 3.0/1441=17...(13) HA ILE 22 + H LEU 27 OK 56 100 - 56 - 6423=20, 3.0/6541=9...(17) HA SER 13 - H LEU 27 OK 18 100 - 19 - 5495=3, 2258/4.1=2...(9) HA CYS 52 - H LEU 27 OK 12 100 - 12 - 2258/4.1=2, 2253/4.1=2...(6) HA THR 17 - H LEU 27 lone 9 93 - 10 - 6332/4.4=1 HA VAL 66 - H LEU 27 lone 7 99 - 7 - 7176/3.0=1 HA3 GLY 48 - H LEU 27 lone 5 65 - 7 - 6891/4.1=3, 6891/4.1=2 HA LEU 126 - H LEU 27 lone 4 96 - 4 - HB THR 19 - H LEU 27 lone 2 63 - 3 - ~8421=1 HA3 GLY 61 - H LEU 27 lone 1 65 - 2 - 3.6/6541=1 HA ALA 89 - H LEU 27 lone 1 78 - 1 - Peak 95 from nnoeabs.peaks (2.19, 6.76, 120.67 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.94: * HB VAL 26 + H LEU 27 OK 94 100 - 94 - 4.4=84, 2.1/97=21...(11) HG2 PRO 37 - H LEU 27 OK 23 99 - 24 - 2259/4.1=5, 2254/4.1=5...(6) HB VAL 49 - H LEU 27 OK 23 99 - 23 - 2254/4.1=4, 2244/3.6=4...(7) HB3 PRO 37 - H LEU 27 OK 18 83 - 22 - 2259/4.1=5, 2254/4.1=4...(7) HB2 GLU 73 - H LEU 27 OK 12 100 - 12 - 8739/4.1=3, 2254/4.1=3...(5) Peak 96 from nnoeabs.peaks (0.63, 6.76, 120.67 ppm; 3.19 A): 5 out of 5 assignments used, quality = 0.95: * QG2 VAL 26 + H LEU 27 OK 71 100 - 71 - 4.1=46, 4.0/1441=11...(12) QG1 VAL 26 + H LEU 27 OK 69 95 - 73 - 4.1=46, 2.1/5497=13...(9) QD1 LEU 21 + H LEU 27 OK 22 60 - 37 - 2.1/6513=9, 3.7/6515=6...(10) QD1 LEU 51 + H LEU 27 OK 19 100 - 19 - 6518/4.0=4, 6517/4.0=4...(7) QD1 LEU 45 + H LEU 27 OK 11 83 - 13 - 6527/4.4=2, 2.1/6917=2, ~6926=1 Peak 97 from nnoeabs.peaks (0.61, 6.76, 120.67 ppm; 3.19 A): 3 out of 3 assignments used, quality = 0.93: * QG1 VAL 26 + H LEU 27 OK 74 100 - 74 - 4.1=46, 2.1/5497=13...(10) QG2 VAL 26 + H LEU 27 OK 66 95 - 70 - 4.1=46, 4.0/1441=11...(11) QD1 LEU 51 + H LEU 27 OK 18 97 - 19 - 6518/4.0=4, 6517/4.0=4...(7) Peak 98 from nnoeabs.peaks (6.76, 8.50, 124.97 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 27 + H GLU 28 OK 92 100 - 92 - 4.6=78, 3.0/99=27...(11) HZ PHE 107 + H GLU 28 OK 29 100 - 30 - 2269/4.3=5, 2262/3.6=5...(7) HE21 GLN 42 - H GLU 28 OK 27 99 - 27 - 2276/4.3=5, 2262/3.6=5...(7) HD22 ASN 99 - H GLU 28 OK 22 100 - 22 - 2262/3.6=5, 2269/4.3=3...(7) Peak 99 from nnoeabs.peaks (4.54, 8.50, 124.97 ppm; 2.81 A): 1 out of 8 assignments used, quality = 0.64: * HA LEU 27 + H GLU 28 OK 64 100 - 64 - 3.6=49, 3.0/98=7...(7) HA GLU 82 - H GLU 28 lone 9 98 - 9 - 3.6/1486=2 HA ASN 99 - H GLU 28 poor 8 81 - 10 - 6179=2, 4619/4.6=1, 4.4/98=1 HA ASN 79 - H GLU 28 lone 7 97 - 7 - 3.0/1661=1 HB THR 121 - H GLU 28 lone 7 71 - 10 - 8082/4.3=2, 2.1/100=2...(5) HA THR 95 - H GLU 28 lone 3 95 - 3 - HB THR 23 - H GLU 28 lone 2 81 - 3 - HA LEU 91 - H GLU 28 lone 1 57 - 2 - Peak 100 from nnoeabs.peaks (1.40, 8.50, 124.97 ppm; 4.02 A): 1 out of 10 assignments used, quality = 0.93: * HB2 LEU 27 + H GLU 28 OK 93 100 - 93 - 4.3=81, 3.0/99=26...(9) QG2 THR 121 - H GLU 28 OK 24 83 - 29 - 8086/4.3=6, 8084/4.8=5...(6) HB2 LEU 111 - H GLU 28 OK 19 99 - 19 - 876/4.6=2, 2264/3.6=2...(7) HG LEU 59 - H GLU 28 OK 15 100 - 15 - 2278/4.3=3, 2264/3.6=3...(6) HG2 LYS 31 - H GLU 28 OK 13 68 - 19 - 2.9/2415=3, 2425=2...(5) HB3 LEU 93 - H GLU 28 OK 11 93 - 12 - 2264/3.6=2, 2278/4.3=2...(5) HB2 LEU 51 - H GLU 28 OK 11 76 - 15 - 2264/3.6=3, 3.0/102=3...(6) HB VAL 110 - H GLU 28 OK 10 100 - 10 - 2264/3.6=2, 2278/4.3=1...(4) QB ALA 98 - H GLU 28 poor 10 68 - 14 - 4.5/6179=2, 2.1/882=1 QB ALA 122 - H GLU 28 lone 5 90 - 6 - 2264/3.6=1, 2278/4.3=1 Peak 101 from nnoeabs.peaks (1.01, 8.50, 124.97 ppm; 3.89 A): 2 out of 9 assignments used, quality = 0.93: * HB3 LEU 27 + H GLU 28 OK 90 100 - 90 - 4.3=73, 3.0/99=24...(9) QD1 LEU 58 + H GLU 28 OK 26 100 - 26 - 8749/3.6=5, 7062/4.3=5...(7) QD2 LEU 58 - H GLU 28 OK 23 95 - 24 - 8748/3.6=5, 2272/4.3=4...(8) QD1 LEU 101 - H GLU 28 OK 22 81 - 27 - 8445/4.3=3, 7722/4.6=3...(13) QD2 LEU 101 - H GLU 28 OK 16 71 - 22 - 2.1/5836=3, 2265/3.6=2...(12) QG1 VAL 18 - H GLU 28 OK 16 78 - 20 - 4.0/1443=2, 2300/4.8=2...(9) QG1 VAL 120 - H GLU 28 OK 12 73 - 16 - 2.1/6543=6, 8047/4.3=2...(5) HG2 LYS 65 - H GLU 28 lone 2 68 - 3 - HG3 LYS 65 - H GLU 28 lone 2 68 - 3 - Peak 102 from nnoeabs.peaks (1.65, 8.50, 124.97 ppm; 3.73 A): 6 out of 8 assignments used, quality = 0.86: * HG LEU 27 + H GLU 28 OK 61 100 - 61 - 4.3/99=15, 3.0/101=12...(9) HB3 LEU 41 + H GLU 28 OK 27 100 - 27 - 6763/4.6=4, 2266/3.6=4...(8) HB ILE 34 + H GLU 28 OK 21 100 - 21 - 2.1/6620=3, 2273/4.3=2...(11) HB3 GLN 42 + H GLU 28 OK 20 90 - 22 - 2266/3.6=3, 4.4/98=3...(8) HG LEU 51 + H GLU 28 OK 13 87 - 15 - 2266/3.6=3, 2273/4.3=2...(6) HG3 ARG 85 + H GLU 28 OK 12 99 - 12 - 5.0/411=2, 5.0/1696=2 HB2 LEU 59 - H GLU 28 lone 6 63 - 9 - 3.0/100=2, 2273/4.3=1...(4) HB3 LYS 32 - H GLU 28 lone 5 95 - 6 - 4.0/118=1 Peak 103 from nnoeabs.peaks (0.93, 8.50, 124.97 ppm; 3.10 A): 3 out of 11 assignments used, quality = 0.91: QD2 LEU 27 + H GLU 28 OK 63 100 - 63 - 4.8=27, 4.0/99=11...(12) * QD1 LEU 27 + H GLU 28 OK 61 100 - 61 - 4.8=27, 4.0/99=11...(11) QG2 ILE 22 + H GLU 28 OK 38 100 - 38 - 6426/4.4=9, 2.1/883=4...(12) QD1 LEU 41 - H GLU 28 OK 19 99 - 19 - 3.1/102=3, 5503=2...(8) HB2 GLN 42 - H GLU 28 OK 14 98 - 14 - 1.8/102=3, 4.4/98=2...(6) QD1 LEU 117 - H GLU 28 OK 14 89 - 16 - 2.1/6543=4, 5503=2...(4) QD1 LEU 55 - H GLU 28 OK 14 98 - 14 - 2.1/884=2, 6564/3.8=2...(4) QD1 ILE 63 - H GLU 28 lone 8 92 - 9 - 7153/3.6=1 QG2 VAL 115 - H GLU 28 lone 8 100 - 8 - 6569/4.4=1 QG2 VAL 49 - H GLU 28 lone 5 99 - 5 - QD1 LEU 126 - H GLU 28 lone 2 87 - 2 - Peak 104 from nnoeabs.peaks (0.92, 8.50, 124.97 ppm; 3.10 A): 3 out of 11 assignments used, quality = 0.91: * QD2 LEU 27 + H GLU 28 OK 63 100 - 63 - 4.8=27, 4.0/99=11...(12) QD1 LEU 27 + H GLU 28 OK 61 100 - 61 - 4.8=27, 4.0/99=11...(11) QG2 ILE 22 + H GLU 28 OK 38 100 - 38 - 6426/4.4=9, 2.1/883=4...(12) QD1 LEU 41 - H GLU 28 OK 19 98 - 19 - 3.1/102=3, 5503=2...(8) QD1 LEU 117 - H GLU 28 OK 15 93 - 16 - 2.1/6543=4, 5503=2...(4) HB2 GLN 42 - H GLU 28 OK 14 99 - 14 - 1.8/102=3, 4.4/98=2...(6) QD1 LEU 55 - H GLU 28 OK 14 96 - 14 - 2.1/884=2, 6564/3.8=2...(4) QG2 VAL 115 - H GLU 28 lone 8 100 - 8 - 6569/4.4=1 QD1 ILE 63 - H GLU 28 lone 7 87 - 9 - 7153/3.6=1 QG2 VAL 49 - H GLU 28 lone 5 100 - 5 - QD1 LEU 126 - H GLU 28 lone 2 92 - 2 - Peak 105 from nnoeabs.peaks (8.50, 8.61, 118.55 ppm; 4.12 A): 1 out of 9 assignments used, quality = 0.95: * H GLU 28 + H SER 29 OK 95 100 - 95 - 4.4=81, 3.0/5505=37...(9) H PHE 40 - H SER 29 OK 19 97 - 20 - 1579/4.8=4, 2304/3.6=3...(8) H LEU 84 - H SER 29 OK 17 100 - 18 - 2304/3.6=4, 2310/4.2=4...(5) H GLU 38 - H SER 29 OK 11 78 - 14 - 3.6/106=3, 927/4.8=2...(6) H LEU 77 - H SER 29 lone 9 97 - 9 - 1653/4.8=2, 2304/3.6=2...(4) H LYS 31 - H SER 29 lone 8 100 - 8 - 2316/4.2=2, 2310/4.2=2 H SER 13 - H SER 29 lone 5 100 - 5 - 800/4.8=1 H TYR 102 - H SER 29 lone 3 83 - 3 - H GLY 2 - H SER 29 lone 2 97 - 2 - Peak 106 from nnoeabs.peaks (4.16, 8.61, 118.55 ppm; 2.59 A): 1 out of 13 assignments used, quality = 0.64: * HA GLU 28 + H SER 29 OK 64 100 - 64 - 3.6=38, 3.0/5506=11...(10) HA PRO 37 - H SER 29 lone 7 92 - 8 - 5997/4.4=1, 2.3/109=1 HB2 SER 113 - H SER 29 lone 5 100 - 5 - 5049/2.9=1, 3.0/888=1 HA PHE 83 - H SER 29 lone 4 97 - 5 - HA PRO 68 - H SER 29 lone 3 60 - 5 - 2.3/110=1 HA GLU 56 - H SER 29 lone 3 97 - 3 - HA ILE 63 - H SER 29 lone 2 83 - 2 - HA ARG 92 - H SER 29 lone 2 63 - 3 - HA SER 78 - H SER 29 lone 1 97 - 1 - HA ILE 124 - H SER 29 lone 1 89 - 1 - HB3 SER 72 - H SER 29 lone 1 85 - 1 - HA ALA 98 - H SER 29 lone 1 81 - 1 - HA ASN 108 - H SER 29 lone 1 92 - 1 - Peak 107 from nnoeabs.peaks (1.90, 8.61, 118.55 ppm; 3.20 A): 2 out of 15 assignments used, quality = 0.90: * HB2 GLU 28 + H SER 29 OK 79 100 - 79 - 4.2=43, 3.0/5505=25...(11) HB ILE 22 + H SER 29 OK 53 100 - 53 - 2.1/6426=16, 3.2/6424=14...(13) HB2 LEU 84 - H SER 29 lone 8 100 - 8 - 2306/3.6=2, 4239/4.4=2...(4) HG LEU 84 - H SER 29 lone 7 90 - 7 - 4253/4.4=2, 2306/3.6=1 HG LEU 55 - H SER 29 lone 6 83 - 7 - 2.1/6569=1 HB3 LYS 31 - H SER 29 lone 4 85 - 5 - 2415/4.4=1 HB2 LYS 119 - H SER 29 lone 4 85 - 5 - HB2 ARG 81 - H SER 29 lone 4 100 - 4 - 6114/3.6=2 HB3 GLU 73 - H SER 29 lone 3 99 - 3 - HB VAL 50 - H SER 29 lone 3 85 - 3 - HB ILE 80 - H SER 29 lone 3 87 - 3 - HB2 LEU 21 - H SER 29 lone 3 78 - 3 - HB2 ARG 92 - H SER 29 lone 2 63 - 3 - HG LEU 58 - H SER 29 lone 2 63 - 3 - HB3 MET 11 - H SER 29 lone 1 96 - 1 - Peak 108 from nnoeabs.peaks (1.87, 8.61, 118.55 ppm; 3.29 A): 3 out of 12 assignments used, quality = 0.91: * HB3 GLU 28 + H SER 29 OK 81 100 - 81 - 4.2=47, 3.0/5505=26...(9) HG12 ILE 22 + H SER 29 OK 46 81 - 57 - 2.1/6424=18, 3.2/6426=14...(13) HG3 PRO 68 + H SER 29 OK 10 100 - 10 - 2307/3.6=2, 2313/4.2=2...(4) HG LEU 55 - H SER 29 lone 8 93 - 8 - 2.1/6569=1, 2307/3.6=1 HG LEU 84 - H SER 29 lone 6 87 - 7 - 4253/4.4=2, 2307/3.6=1 HB2 LYS 119 - H SER 29 lone 6 92 - 6 - 8244/2.9=1 HB3 LYS 31 - H SER 29 lone 5 92 - 6 - 2415/4.4=1 HB2 ARG 92 - H SER 29 lone 4 99 - 4 - HB2 LEU 58 - H SER 29 lone 4 100 - 4 - 884/4.4=1 HB VAL 50 - H SER 29 lone 4 92 - 4 - 884/4.4=1, 2307/3.6=1 HB3 LYS 109 - H SER 29 lone 2 100 - 2 - HG3 GLU 73 - H SER 29 lone 1 60 - 2 - Peak 109 from nnoeabs.peaks (2.23, 8.61, 118.55 ppm; 3.44 A): 4 out of 13 assignments used, quality = 0.94: * HG2 GLU 28 + H SER 29 OK 71 100 - 71 - 3.0/5506=21, 3.0/5507=21...(9) HG3 GLU 28 + H SER 29 OK 71 100 - 71 - 3.0/5506=21, 3.0/5507=21...(9) HB2 PRO 68 + H SER 29 OK 13 100 - 13 - 3735/4.2=3, 2309/3.6=2...(6) HB3 PRO 37 + H SER 29 OK 12 92 - 13 - 2.3/106=3, 2308/3.6=2...(7) HB3 LEU 117 - H SER 29 lone 8 100 - 8 - ~6572=1, 3.1/6569=1 HG2 GLU 38 - H SER 29 lone 6 97 - 6 - HG3 GLU 38 - H SER 29 lone 6 97 - 6 - HG2 PRO 37 - H SER 29 lone 5 63 - 8 - 3.8/106=2, 2685/3.6=1...(4) HG2 GLU 56 - H SER 29 lone 4 90 - 4 - HG3 GLU 64 - H SER 29 lone 3 99 - 3 - HB2 PRO 70 - H SER 29 lone 2 93 - 2 - HG2 GLU 94 - H SER 29 lone 2 98 - 2 - HG3 GLU 15 - H SER 29 lone 1 81 - 1 - Peak 110 from nnoeabs.peaks (2.23, 8.61, 118.55 ppm; 3.44 A): 4 out of 13 assignments used, quality = 0.94: * HG3 GLU 28 + H SER 29 OK 71 100 - 71 - 3.0/5506=21, 3.0/5507=21...(9) HG2 GLU 28 + H SER 29 OK 71 100 - 71 - 3.0/5506=21, 3.0/5507=21...(9) HB2 PRO 68 + H SER 29 OK 13 100 - 13 - 3735/4.2=3, 2309/3.6=2...(6) HB3 PRO 37 + H SER 29 OK 12 89 - 13 - 2.3/106=3, 2308/3.6=2...(7) HB3 LEU 117 - H SER 29 lone 8 100 - 8 - ~6572=1, 3.1/6569=1 HG2 GLU 38 - H SER 29 lone 6 99 - 6 - HG3 GLU 38 - H SER 29 lone 6 98 - 6 - HG2 PRO 37 - H SER 29 lone 4 57 - 8 - 3.8/106=2, 2685/3.6=1...(4) HG2 GLU 56 - H SER 29 lone 4 93 - 4 - HG3 GLU 64 - H SER 29 lone 3 100 - 3 - HB2 PRO 70 - H SER 29 lone 2 96 - 2 - HG2 GLU 94 - H SER 29 lone 2 99 - 2 - HG3 GLU 15 - H SER 29 lone 1 85 - 1 - Peak 111 from nnoeabs.peaks (4.50, 8.49, 119.53 ppm; 3.46 A): 1 out of 6 assignments used, quality = 0.93: * HA PRO 30 + H LYS 31 OK 93 100 - 93 - 3.6=92, 6581/4.6=6...(5) HA ARG 71 - H LYS 31 OK 21 87 - 24 - 3.6/1444=4, 2367/3.9=4...(11) HA LEU 101 - H LYS 31 OK 18 97 - 18 - 2367/3.9=2, 5832=2...(9) HA LEU 91 - H LYS 31 OK 11 100 - 11 - 2367/3.9=3, 2374/3.9=2...(4) HA PRO 70 - H LYS 31 lone 3 87 - 4 - HB THR 23 - H LYS 31 lone 2 95 - 2 - Peak 112 from nnoeabs.peaks (2.13, 8.49, 119.53 ppm; 4.42 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 30 + H LYS 31 OK 100 100 - 100 - 3.9=100 HB VAL 115 - H LYS 31 OK 17 100 - 17 - 2361/3.6=5, 2375/3.9=5...(5) HG2 GLU 69 - H LYS 31 OK 14 95 - 15 - 3780/3.9=6, 2361/3.6=5...(4) HG12 ILE 80 - H LYS 31 poor 10 65 - 15 - 2.1/7394=4, 6611/4.6=3...(7) HB3 GLU 15 - H LYS 31 lone 9 100 - 9 - 2361/3.6=3, 2375/3.9=3 Peak 113 from nnoeabs.peaks (1.95, 8.49, 119.53 ppm; 4.39 A): 1 out of 15 assignments used, quality = 1.00: * HB3 PRO 30 + H LYS 31 OK 100 100 - 100 - 3.9=100 HB3 LYS 119 - H LYS 31 OK 35 100 - 35 - 1.8/894=5, 2.9/896=4...(13) HB2 ARG 71 - H LYS 31 OK 26 68 - 39 - 1.8/893=7, 3.0/111=6...(12) HB2 LYS 109 - H LYS 31 OK 20 97 - 20 - 1.8/894=2, 2369/3.9=2...(10) HG LEU 58 - H LYS 31 OK 19 92 - 21 - 3370/4.0=3, 3.0/894=2...(11) HB2 GLU 38 - H LYS 31 OK 15 99 - 16 - 3.0/6003=4, 2369/3.9=3...(5) HB3 GLU 69 - H LYS 31 OK 15 100 - 15 - 3775/3.9=6, 2362/3.6=4...(4) HB ILE 80 - H LYS 31 OK 11 71 - 15 - 3.2/7394=3, 3.0/112=2...(7) HB2 ARG 85 - H LYS 31 lone 10 100 - 9 - 4.0/411=2, 4.7/1696=1 HB3 ARG 85 - H LYS 31 lone 10 100 - 9 - 4.0/411=2, 4.7/1696=1 HG LEU 45 - H LYS 31 poor 8 73 - 11 - 3.0/115=2, 2369/3.9=1...(4) HB2 LEU 21 - H LYS 31 lone 3 81 - 4 - HB2 GLU 64 - H LYS 31 lone 3 97 - 3 - HB3 GLU 64 - H LYS 31 lone 3 96 - 3 - HB3 GLU 94 - H LYS 31 lone 2 99 - 2 - Peak 114 from nnoeabs.peaks (1.61, 8.49, 119.53 ppm; 4.45 A): 2 out of 17 assignments used, quality = 0.98: HD3 LYS 31 + H LYS 31 OK 84 99 - 86 - 6.0=41, 3.0/895=16...(21) HD2 LYS 31 + H LYS 31 OK 84 99 - 86 - 6.0=41, 3.0/895=16...(21) ! HG2 PRO 30 - H LYS 31 OK 38 100 - 39 - 3.8/111=21, 1.8/115=6...(6) HG LEU 101 - H LYS 31 OK 32 99 - 32 - 2.1/5837=4, 4.3/111=4...(13) HD3 LYS 32 - H LYS 31 OK 28 100 - 28 - 5.9/1444=9, 2370/3.9=3...(11) HD2 LYS 32 - H LYS 31 OK 28 100 - 28 - 5.9/1444=9, 2370/3.9=3...(11) HD3 LYS 119 - H LYS 31 OK 27 90 - 30 - 3.0/896=4, 3.7/113=3...(16) HD2 LYS 119 - H LYS 31 OK 26 89 - 30 - 3.0/896=4, 3.7/113=3...(16) HB3 LYS 32 - H LYS 31 OK 22 68 - 32 - 4.0/118=15, 1.8/115=4...(9) HB2 LEU 59 - H LYS 31 OK 19 97 - 20 - 1.8/895=4, ~2399=3...(7) HG2 ARG 53 - H LYS 31 OK 11 100 - 11 - 3.0/893=1, 2401/2.9=1...(4) HB3 GLN 42 - H LYS 31 poor 8 76 - 10 - 2382/3.9=2, 3.0/115=1...(4) HG LEU 126 - H LYS 31 lone 7 87 - 7 - 2382/3.9=2, 2381/3.6=1 HG LEU 51 - H LYS 31 lone 6 81 - 8 - 2370/3.9=2, 2363/3.6=2 HB3 LEU 126 - H LYS 31 lone 6 97 - 6 - 2370/3.9=1 HB2 LEU 126 - H LYS 31 lone 6 97 - 6 - 2370/3.9=1 HG12 ILE 63 - H LYS 31 lone 4 97 - 4 - Peak 115 from nnoeabs.peaks (1.76, 8.49, 119.53 ppm; 3.97 A): 7 out of 17 assignments used, quality = 0.80: HG3 ARG 71 + H LYS 31 OK 29 99 - 29 - 4.7/1444=4, 2364/3.6=4...(11) * HG3 PRO 30 + H LYS 31 OK 28 100 - 28 - 3.8/111=17, 1.8/5515=3...(4) HG2 ARG 71 + H LYS 31 OK 24 83 - 29 - 4.7/1444=4, 3.0/2405=4...(12) HB2 LYS 32 + H LYS 31 OK 20 76 - 26 - 4.0/118=12, 2371/3.9=2...(9) HB2 GLU 75 + H LYS 31 OK 19 96 - 19 - 4.0/1444=4, 7319/3.6=3...(7) HD3 LYS 109 + H LYS 31 OK 12 100 - 12 - 3.9/113=2, 3.0/896=2...(5) HD2 LYS 109 + H LYS 31 OK 12 100 - 12 - 3.9/113=2, 3.0/896=2...(5) HB2 LEU 45 - H LYS 31 poor 10 97 - 10 - 2888/3.9=1, 1.8/896=1...(4) HB2 LEU 91 - H LYS 31 poor 7 60 - 12 - 4380/3.6=3, 3.0/111=2 HG LEU 117 - H LYS 31 lone 7 100 - 7 - 2371/3.9=2, 2364/3.6=1 HG2 GLN 42 - H LYS 31 lone 7 100 - 7 - 2371/3.9=1 HB2 PRO 37 - H LYS 31 lone 7 76 - 9 - 2.3/5997=1 HB2 LEU 117 - H LYS 31 lone 6 97 - 7 - 2371/3.9=2, 2364/3.6=1 HB3 LYS 46 - H LYS 31 lone 5 96 - 5 - HB2 ARG 53 - H LYS 31 lone 5 78 - 6 - HB VAL 66 - H LYS 31 lone 2 90 - 2 - HB3 GLU 56 - H LYS 31 lone 1 60 - 1 - Peak 118 from nnoeabs.peaks (8.49, 7.41, 116.61 ppm; 3.77 A): 4 out of 9 assignments used, quality = 0.92: * H LYS 31 + H LYS 32 OK 85 100 - 85 - 4.6=54, 2.9/119=23...(13) H LEU 77 + H LYS 32 OK 31 95 - 33 - 1651=5, 1141/4.7=3...(15) H GLU 28 + H LYS 32 OK 11 100 - 11 - 2395/3.6=2, 2415/4.7=2 H PHE 40 + H LYS 32 OK 11 99 - 11 - 158/4.6=2, 4.6/1445=1...(4) H TYR 102 - H LYS 32 poor 10 87 - 11 - 2395/3.6=1, 7736/5.0=1 H LEU 84 - H LYS 32 lone 9 100 - 9 - 2395/3.6=2, 2415/4.7=1 H GLU 38 - H LYS 32 poor 9 73 - 12 - 3.9/903=2, 1447/4.6=1...(4) H SER 13 - H LYS 32 lone 7 100 - 7 - 2395/3.6=2, 2415/4.7=1 H GLY 2 - H LYS 32 lone 2 98 - 2 - Peak 119 from nnoeabs.peaks (4.08, 7.41, 116.61 ppm; 3.31 A): 3 out of 6 assignments used, quality = 0.91: * HA LYS 31 + H LYS 32 OK 89 100 - 89 - 3.6=79, 2.9/118=11...(11) HA LEU 24 + H LYS 32 OK 11 93 - 12 - 3.0/905=2, 3.0/1445=2...(5) HA LEU 55 + H LYS 32 OK 10 68 - 15 - 3.0/120=3, 2416/4.7=2...(7) HA VAL 120 - H LYS 32 lone 9 100 - 9 - 2416/4.7=3, 2406/4.7=2 HA SER 112 - H LYS 32 lone 4 73 - 5 - HA SER 44 - H LYS 32 lone 2 92 - 2 - Peak 120 from nnoeabs.peaks (1.73, 7.41, 116.61 ppm; 3.54 A): 5 out of 10 assignments used, quality = 0.89: * HB2 LYS 31 + H LYS 32 OK 74 100 - 74 - 4.7=44, 3.0/119=21...(8) HB3 LEU 77 + H LYS 32 OK 23 93 - 25 - 1.8/905=4, 4.0/118=3...(12) HB3 ARG 71 + H LYS 32 OK 21 100 - 21 - 2406/3.6=3, 5703=3...(9) HB3 LEU 55 + H LYS 32 OK 20 99 - 20 - 2397/3.6=4, 2417/4.7=3...(8) HG2 ARG 71 + H LYS 32 OK 14 85 - 16 - 3.0/6610=2, 3.0/5703=2...(9) HB2 LEU 91 - H LYS 32 lone 6 97 - 6 - 2397/3.6=1, 893/4.6=1 HB2 ARG 53 - H LYS 32 lone 5 89 - 6 - HB VAL 66 - H LYS 32 lone 3 76 - 5 - 2.1/7203=2, 2.1/7198=1 HB2 LEU 45 - H LYS 32 lone 2 60 - 3 - HB3 LYS 46 - H LYS 32 lone 2 65 - 2 - Peak 121 from nnoeabs.peaks (1.88, 7.41, 116.61 ppm; 3.97 A): 6 out of 15 assignments used, quality = 0.94: * HB3 LYS 31 + H LYS 32 OK 86 100 - 86 - 4.7=62, 3.0/119=25...(12) HB2 LYS 119 + H LYS 32 OK 24 100 - 25 - 1.8/6610=5, 2398/3.6=4...(8) HG LEU 55 + H LYS 32 OK 22 100 - 22 - 3.0/120=4, 2398/3.6=4...(8) HB3 LYS 109 + H LYS 32 OK 11 85 - 13 - 1.8/6610=3, 2398/3.6=1 HB2 LEU 58 + H LYS 32 OK 11 95 - 11 - 7057/3.6=3, 2408/4.7=2...(5) HG LEU 84 + H LYS 32 OK 10 100 - 10 - 4253/4.6=2, 2.1/7477=1 HB3 GLU 28 - H LYS 32 lone 7 92 - 8 - 3.8/118=2, 2316/4.6=2 HB2 LEU 84 - H LYS 32 lone 6 87 - 7 - 4239/4.6=1, 4.0/118=1...(4) HB2 GLU 28 - H LYS 32 lone 6 85 - 7 - 3.8/118=2, 2310/4.6=1 HB ILE 22 - H LYS 32 lone 5 73 - 7 - ~6433=2, ~6437=2 HG3 PRO 68 - H LYS 32 lone 3 92 - 3 - HB2 ARG 92 - H LYS 32 lone 3 98 - 3 - HB VAL 50 - H LYS 32 lone 3 100 - 3 - HB3 GLU 73 - H LYS 32 lone 2 68 - 4 - 4.2/1477=1 HB2 ARG 81 - H LYS 32 lone 2 76 - 3 - Peak 122 from nnoeabs.peaks (1.37, 7.41, 116.61 ppm; 4.84 A): 5 out of 7 assignments used, quality = 0.91: * HG2 LYS 31 + H LYS 32 OK 78 100 - 78 - 4.0/119=27, 2.9/5519=22...(12) QG2 THR 121 + H LYS 32 OK 29 99 - 29 - 5309/2.9=5, 8089/4.0=4...(8) HB3 LEU 93 + H LYS 32 OK 26 96 - 28 - 2399/3.6=6, 2419/4.7=6...(7) HB3 LEU 59 + H LYS 32 OK 14 76 - 18 - 2399/3.6=5, 2419/4.7=4...(4) HB2 LEU 111 + H LYS 32 OK 12 85 - 14 - 1.8/905=3, 2399/3.6=2...(7) HB2 LEU 27 - H LYS 32 poor 7 68 - 11 - 4.3/118=2, 895/4.6=2...(4) HB VAL 110 - H LYS 32 lone 7 76 - 9 - 2419/4.7=2, 2399/3.6=2...(4) Peak 123 from nnoeabs.peaks (1.46, 7.41, 116.61 ppm; 4.85 A): 5 out of 17 assignments used, quality = 0.93: * HG3 LYS 31 + H LYS 32 OK 75 100 - 75 - 4.0/119=27, 2.9/5519=22...(10) HG2 LYS 119 + H LYS 32 OK 34 100 - 34 - 2400/3.6=5, 2.9/121=5...(8) HB3 GLU 75 + H LYS 32 OK 32 95 - 34 - 1.8/3954=6, 3960=5...(11) HB2 LEU 93 + H LYS 32 OK 23 100 - 24 - 1.8/122=6, 2400/3.6=4...(6) HG LEU 24 + H LYS 32 OK 22 95 - 23 - 3.0/905=4, 4.3/119=3...(9) HG2 LYS 109 - H LYS 32 OK 16 89 - 18 - 2.9/6610=3, 2.9/121=2...(8) HB3 LEU 101 - H LYS 32 OK 14 73 - 20 - 5834/4.6=2, 2400/3.6=2...(6) QB ALA 14 - H LYS 32 OK 13 100 - 13 - 6307/4.0=2, 6303/5.0=2 HB3 LEU 58 - H LYS 32 OK 11 73 - 16 - 2420/4.7=3, 2400/3.6=3...(6) HB3 LEU 45 - H LYS 32 lone 9 95 - 9 - 2400/3.6=1, 896/4.6=1 HG LEU 93 - H LYS 32 poor 8 60 - 14 - 3.0/122=5, 2420/4.7=2...(5) HD2 LYS 46 - H LYS 32 lone 8 100 - 8 - 2400/3.6=1, 2420/4.7=1 HG3 ARG 57 - H LYS 32 lone 7 100 - 7 - HG LEU 91 - H LYS 32 lone 6 68 - 9 - 3.0/120=2, 2400/3.6=1 HD2 LYS 65 - H LYS 32 lone 2 83 - 3 - HD3 LYS 65 - H LYS 32 lone 2 83 - 3 - QB ALA 89 - H LYS 32 lone 2 76 - 3 - Peak 124 from nnoeabs.peaks (1.62, 7.41, 116.61 ppm; 3.24 A): 4 out of 19 assignments used, quality = 0.97: HB3 LYS 32 + H LYS 32 OK 65 87 - 74 - 4.0=53, 1.8/903=13...(13) HD2 LYS 32 + H LYS 32 OK 57 97 - 59 - 5.9=17, 3.5/2505=9...(15) HD3 LYS 32 + H LYS 32 OK 57 97 - 59 - 5.9=17, 3.5/2505=9...(15) HG2 PRO 30 + H LYS 32 OK 52 99 - 53 - 2.3/6611=15, 2.3/6610=12...(15) ! HD2 LYS 31 - H LYS 32 OK 40 100 - 40 - 3.4/5519=9, 3.4/120=9...(10) HD3 LYS 31 - H LYS 32 OK 40 100 - 40 - 3.4/5519=9, 3.4/120=9...(10) HD3 LYS 119 - H LYS 32 OK 12 73 - 16 - 3.7/6610=2, 3.7/121=2...(4) HD2 LYS 119 - H LYS 32 OK 11 71 - 16 - 3.7/6610=2, 3.7/121=2...(4) HG LEU 101 - H LYS 32 lone 8 100 - 8 - HB2 LEU 59 - H LYS 32 lone 7 100 - 7 - 2402/3.6=1, 1.8/122=1 HG2 ARG 53 - H LYS 32 lone 5 97 - 5 - HB ILE 34 - H LYS 32 lone 4 68 - 6 - 131/4.6=2 HB3 GLN 42 - H LYS 32 lone 4 92 - 4 - HG LEU 51 - H LYS 32 lone 3 95 - 3 - HB3 LEU 126 - H LYS 32 lone 2 87 - 2 - HB2 LEU 126 - H LYS 32 lone 2 85 - 2 - HG3 ARG 85 - H LYS 32 lone 2 73 - 3 - HG LEU 126 - H LYS 32 lone 2 68 - 3 - HG12 ILE 63 - H LYS 32 lone 2 85 - 2 - Peak 125 from nnoeabs.peaks (1.62, 7.41, 116.61 ppm; 3.24 A): 4 out of 19 assignments used, quality = 0.97: HB3 LYS 32 + H LYS 32 OK 65 87 - 74 - 4.0=53, 1.8/903=13...(13) HD2 LYS 32 + H LYS 32 OK 57 97 - 59 - 5.9=17, 3.5/2505=9...(15) HD3 LYS 32 + H LYS 32 OK 57 97 - 59 - 5.9=17, 3.5/2505=9...(15) HG2 PRO 30 + H LYS 32 OK 52 99 - 53 - 2.3/6611=15, 2.3/6610=12...(15) HD2 LYS 31 - H LYS 32 OK 40 100 - 40 - 3.4/5519=9, 3.4/120=9...(10) ! HD3 LYS 31 - H LYS 32 OK 40 100 - 40 - 3.4/5519=9, 3.4/120=9...(10) HD3 LYS 119 - H LYS 32 OK 12 73 - 16 - 3.7/6610=2, 3.7/121=2...(4) HD2 LYS 119 - H LYS 32 OK 11 71 - 16 - 3.7/6610=2, 3.7/121=2...(4) HG LEU 101 - H LYS 32 lone 8 100 - 8 - HB2 LEU 59 - H LYS 32 lone 7 100 - 7 - 2402/3.6=1, 1.8/122=1 HG2 ARG 53 - H LYS 32 lone 5 97 - 5 - HB ILE 34 - H LYS 32 lone 4 68 - 6 - 131/4.6=2 HB3 GLN 42 - H LYS 32 lone 4 92 - 4 - HG LEU 51 - H LYS 32 lone 3 95 - 3 - HB3 LEU 126 - H LYS 32 lone 2 87 - 2 - HB2 LEU 126 - H LYS 32 lone 2 85 - 2 - HG3 ARG 85 - H LYS 32 lone 2 73 - 3 - HG LEU 126 - H LYS 32 lone 2 68 - 3 - HG12 ILE 63 - H LYS 32 lone 2 85 - 2 - Peak 128 from nnoeabs.peaks (7.41, 8.10, 116.36 ppm; 4.31 A): 2 out of 6 assignments used, quality = 0.97: * H LYS 32 + H THR 33 OK 95 100 - 95 - 4.6=84, 2.9/129=32...(11) HD21 ASN 79 + H THR 33 OK 44 99 - 45 - 664=8, 2485/3.6=8...(14) H GLU 75 - H THR 33 OK 21 90 - 23 - 2485/3.6=3, 2495/4.7=3...(8) H PHE 96 - H THR 33 OK 11 85 - 12 - 2525/5.0=2, 2495/4.7=2...(5) HE21 GLN 105 - H THR 33 poor 10 92 - 10 - 4.5/4770=1, 5.9/4762=1 H SER 72 - H THR 33 lone 8 99 - 8 - 2485/3.6=1, 2495/4.7=1 Peak 129 from nnoeabs.peaks (4.42, 8.10, 116.36 ppm; 2.88 A): 2 out of 4 assignments used, quality = 0.77: * HA LYS 32 + H THR 33 OK 73 100 - 73 - 3.6=53, 3.0/130=9...(13) HA SER 29 + H THR 33 OK 14 97 - 15 - 6572/4.7=4, 2506/4.7=2...(7) HA THR 121 - H THR 33 lone 7 95 - 8 - 2516/5.0=1, 2506/4.7=1...(5) HA SER 113 - H THR 33 lone 4 90 - 5 - Peak 130 from nnoeabs.peaks (1.79, 8.10, 116.36 ppm; 3.54 A): 4 out of 14 assignments used, quality = 0.88: * HB2 LYS 32 + H THR 33 OK 80 100 - 80 - 4.7=44, 3.0/129=24...(13) HB2 PRO 37 + H THR 33 OK 19 100 - 19 - 2.3/5996=3, 6677/5.0=2...(9) HG3 PRO 30 + H THR 33 OK 16 76 - 21 - 2487/3.6=5, 903/4.6=4...(6) HB2 GLU 75 + H THR 33 OK 13 97 - 14 - 2487/3.6=2, 3954/4.6=2...(6) HB3 GLU 56 - H THR 33 lone 6 99 - 6 - 3.7/250=2 HB2 LEU 117 - H THR 33 lone 5 95 - 5 - HG2 GLU 75 - H THR 33 lone 5 65 - 7 - 5.1/128=1 HG2 GLN 42 - H THR 33 lone 3 65 - 5 - HB2 PRO 60 - H THR 33 lone 3 89 - 3 - HB3 ARG 57 - H THR 33 lone 3 68 - 4 - HD3 LYS 109 - H THR 33 lone 3 81 - 3 - HG LEU 117 - H THR 33 lone 3 73 - 3 - HD2 LYS 109 - H THR 33 lone 2 73 - 3 - HB3 ARG 92 - H THR 33 lone 1 83 - 2 - Peak 131 from nnoeabs.peaks (1.64, 8.10, 116.36 ppm; 3.44 A): 5 out of 15 assignments used, quality = 0.93: * HB3 LYS 32 + H THR 33 OK 76 100 - 76 - 4.7=40, 3.0/129=23...(12) HB ILE 34 + H THR 33 OK 39 99 - 40 - 3.9/1446=10, 2.9/914=7...(10) HD2 LYS 32 + H THR 33 OK 29 60 - 48 - 3.5/130=11, 5.0/129=11...(12) HD3 LYS 32 + H THR 33 OK 29 60 - 48 - 3.5/130=11, 5.0/129=11...(12) HG2 PRO 30 + H THR 33 OK 11 68 - 16 - 6607/3.6=5, 1.8/130=3...(6) HG LEU 51 - H THR 33 lone 8 100 - 8 - 917/4.6=2, ~8184=1 HB3 LEU 41 - H THR 33 lone 7 89 - 7 - HD2 LYS 31 - H THR 33 lone 7 87 - 8 - 2488/3.6=2, 904/4.6=2 HD3 LYS 31 - H THR 33 lone 7 87 - 8 - 2488/3.6=2, 904/4.6=2 HB3 GLN 42 - H THR 33 lone 6 100 - 6 - HG LEU 101 - H THR 33 lone 6 83 - 7 - 2.1/914=1 HG3 ARG 85 - H THR 33 lone 5 99 - 5 - 917/4.6=1 HG LEU 27 - H THR 33 lone 5 95 - 6 - 917/4.6=1 HG2 ARG 53 - H THR 33 lone 3 60 - 5 - 3.9/6064=1 HB2 LEU 59 - H THR 33 lone 2 92 - 2 - Peak 132 from nnoeabs.peaks (1.22, 8.10, 116.36 ppm; 4.51 A): 2 out of 7 assignments used, quality = 0.96: * HG2 LYS 32 + H THR 33 OK 94 100 - 94 - 5.0=75, 3.8/129=28...(11) QG2 VAL 18 + H THR 33 OK 36 97 - 37 - 1996/4.6=9, 4.0/1446=5...(12) HB3 LEU 24 - H THR 33 OK 36 100 - 36 - 2208=7, 1.8/2201=4...(12) HG LEU 77 - H THR 33 OK 32 87 - 37 - 2489/3.6=4, 905/4.6=4...(18) HB2 LEU 77 - H THR 33 OK 25 71 - 36 - 2489/3.6=4, 905/4.6=3...(18) HB3 LEU 111 - H THR 33 OK 15 100 - 15 - 2489/3.6=2, 905/4.6=2...(6) HG13 ILE 124 - H THR 33 OK 12 73 - 16 - 8117/3.6=6, 905/4.6=2...(5) Peak 133 from nnoeabs.peaks (1.26, 8.10, 116.36 ppm; 4.53 A): 1 out of 8 assignments used, quality = 0.94: * HG3 LYS 32 + H THR 33 OK 94 100 - 94 - 5.0=76, 3.8/129=29...(11) QD1 ILE 80 - H THR 33 OK 23 99 - 23 - 906/4.6=4, 2490/3.6=4...(7) QG2 ILE 80 - H THR 33 OK 22 99 - 22 - 906/4.6=3, 2490/3.6=3...(7) HG LEU 77 - H THR 33 OK 20 65 - 30 - 3.0/132=3, 906/4.6=2...(16) HG LEU 54 - H THR 33 OK 19 78 - 24 - 2.1/5625=4, 5624=3...(7) QG2 THR 116 - H THR 33 OK 16 98 - 16 - 2490/3.6=4, 2500/4.7=3...(5) HG13 ILE 124 - H THR 33 OK 14 81 - 18 - 8117/3.6=6, 2510/4.7=3...(5) QG2 THR 19 - H THR 33 OK 12 100 - 12 - 2490/3.6=2, 2510/4.7=1...(5) Peak 134 from nnoeabs.peaks (1.61, 8.10, 116.36 ppm; 3.85 A): 4 out of 17 assignments used, quality = 0.93: * HD2 LYS 32 + H THR 33 OK 57 100 - 57 - 5.0/129=14, 3.5/130=14...(12) HD3 LYS 32 + H THR 33 OK 57 100 - 57 - 5.0/129=14, 3.5/130=14...(12) HB3 LYS 32 + H THR 33 OK 51 60 - 85 - 4.7=57, 3.0/129=27...(11) HG2 PRO 30 + H THR 33 OK 25 100 - 25 - 6607/3.6=9, 1.8/130=4...(7) HG LEU 101 - H THR 33 lone 9 98 - 9 - 2.1/914=2 HD3 LYS 31 - H THR 33 lone 8 97 - 9 - 2492/3.6=2, 908/4.6=2 HD2 LYS 31 - H THR 33 lone 8 97 - 9 - 2492/3.6=2, 908/4.6=2 HG2 ARG 53 - H THR 33 lone 8 100 - 8 - 3.9/6064=1, 5.0/1622=1 HD3 LYS 119 - H THR 33 lone 7 95 - 7 - 2546/3.6=1 HD2 LYS 119 - H THR 33 lone 6 93 - 7 - 2546/3.6=1 HG LEU 51 - H THR 33 lone 5 73 - 7 - ~8184=1, 3.7/6056=1 HG12 ILE 63 - H THR 33 lone 4 99 - 4 - 2.1/7127=1 HB3 GLN 42 - H THR 33 lone 4 68 - 6 - HB2 LEU 59 - H THR 33 lone 2 93 - 3 - HG LEU 126 - H THR 33 lone 2 92 - 2 - HB3 LEU 126 - H THR 33 lone 2 99 - 2 - HB2 LEU 126 - H THR 33 lone 2 99 - 2 - Peak 135 from nnoeabs.peaks (1.61, 8.10, 116.36 ppm; 3.85 A): 4 out of 17 assignments used, quality = 0.93: HD2 LYS 32 + H THR 33 OK 57 100 - 57 - 5.0/129=14, 3.5/130=14...(12) * HD3 LYS 32 + H THR 33 OK 57 100 - 57 - 5.0/129=14, 3.5/130=14...(12) HB3 LYS 32 + H THR 33 OK 51 60 - 85 - 4.7=57, 3.0/129=27...(11) HG2 PRO 30 + H THR 33 OK 25 100 - 25 - 6607/3.6=9, 1.8/130=4...(7) HG LEU 101 - H THR 33 lone 9 98 - 9 - 2.1/914=2 HD3 LYS 31 - H THR 33 lone 8 97 - 9 - 2492/3.6=2, 908/4.6=2 HD2 LYS 31 - H THR 33 lone 8 97 - 9 - 2492/3.6=2, 908/4.6=2 HG2 ARG 53 - H THR 33 lone 8 100 - 8 - 3.9/6064=1, 5.0/1622=1 HD3 LYS 119 - H THR 33 lone 7 95 - 7 - 2546/3.6=1 HD2 LYS 119 - H THR 33 lone 6 93 - 7 - 2546/3.6=1 HG LEU 51 - H THR 33 lone 5 73 - 7 - ~8184=1, 3.7/6056=1 HG12 ILE 63 - H THR 33 lone 4 99 - 4 - 2.1/7127=1 HB3 GLN 42 - H THR 33 lone 4 68 - 6 - HB2 LEU 59 - H THR 33 lone 2 93 - 3 - HG LEU 126 - H THR 33 lone 2 92 - 2 - HB3 LEU 126 - H THR 33 lone 2 99 - 2 - HB2 LEU 126 - H THR 33 lone 2 99 - 2 - Peak 138 from nnoeabs.peaks (8.10, 8.59, 127.47 ppm; 4.81 A): 1 out of 7 assignments used, quality = 1.00: * H THR 33 + H ILE 34 OK 100 100 - 100 - 4.6=100 HD22 ASN 79 - H ILE 34 OK 15 99 - 15 - 2575/3.6=4, 2579/4.6=3...(4) H GLN 105 - H ILE 34 OK 15 95 - 15 - 522/3.6=4, 2583/4.2=4...(4) H GLY 39 - H ILE 34 OK 13 100 - 13 - 6621/4.0=6, 2575/3.6=1...(4) H LEU 24 - H ILE 34 lone 8 95 - 8 - 6621/4.0=2, 2583/4.2=1...(4) H SER 78 - H ILE 34 poor 6 63 - 10 - 6621/4.0=4, 371/4.6=2 H LEU 55 - H ILE 34 lone 4 83 - 4 - Peak 139 from nnoeabs.peaks (3.86, 8.59, 127.47 ppm; 2.75 A): 2 out of 13 assignments used, quality = 0.83: * HA THR 33 + H ILE 34 OK 66 100 - 66 - 3.6=46, 3.0/5536=13...(10) HB THR 33 + H ILE 34 OK 50 100 - 51 - 5536=22, 2.1/5537=16...(7) HB2 SER 35 - H ILE 34 lone 10 100 - 10 - 5535=3, 8184/5.0=1...(4) HA GLU 15 - H ILE 34 lone 7 97 - 7 - 5956=2, 3.6/1537=2 HA THR 19 - H ILE 34 lone 7 87 - 8 - 3.0/46=4, 3.6/1554=2 HB2 SER 13 - H ILE 34 lone 3 97 - 3 - 5535=1 HA LEU 77 - H ILE 34 lone 3 76 - 4 - HA3 GLY 104 - H ILE 34 lone 2 100 - 2 - HB3 ASN 79 - H ILE 34 lone 2 76 - 2 - HA ARG 53 - H ILE 34 lone 1 65 - 1 - HA LYS 119 - H ILE 34 lone 0 63 - 1 - HB THR 95 - H ILE 34 lone 0 60 - 1 - HB3 SER 112 - H ILE 34 lone 0 57 - 0 - Peak 140 from nnoeabs.peaks (3.86, 8.59, 127.47 ppm; 2.75 A): 2 out of 13 assignments used, quality = 0.83: HA THR 33 + H ILE 34 OK 66 100 - 66 - 3.6=46, 3.0/5536=13...(10) * HB THR 33 + H ILE 34 OK 50 100 - 51 - 5536=22, 2.1/5537=16...(7) HB2 SER 35 - H ILE 34 lone 10 100 - 10 - 5535=3, 8184/5.0=1...(4) HA GLU 15 - H ILE 34 lone 7 96 - 7 - 5956=2, 3.6/1537=2 HA THR 19 - H ILE 34 lone 6 85 - 8 - 3.0/46=4, 3.6/1554=2 HB2 SER 13 - H ILE 34 lone 3 98 - 4 - 5535=1 HA LEU 77 - H ILE 34 lone 3 73 - 4 - HA3 GLY 104 - H ILE 34 lone 2 99 - 2 - HB3 ASN 79 - H ILE 34 lone 2 78 - 2 - HA ARG 53 - H ILE 34 lone 1 68 - 1 - HB THR 95 - H ILE 34 lone 1 63 - 1 - HA LYS 119 - H ILE 34 lone 0 60 - 1 - HB3 SER 112 - H ILE 34 lone 0 60 - 1 - Peak 141 from nnoeabs.peaks (1.05, 8.59, 127.47 ppm; 3.06 A): 3 out of 5 assignments used, quality = 0.94: HG13 ILE 34 + H ILE 34 OK 76 97 - 79 - 4.6=29, 3.2/918=18...(14) * QG2 THR 33 + H ILE 34 OK 69 100 - 70 - 4.2=39, 2.1/5536=21...(9) HB3 LEU 21 + H ILE 34 OK 11 100 - 11 - 2599/3.9=2, 2592/3.0=2...(5) QD2 LEU 101 - H ILE 34 lone 5 83 - 6 - 8153/4.6=2 QG1 VAL 120 - H ILE 34 lone 1 81 - 1 - Peak 143 from nnoeabs.peaks (3.86, 7.88, 119.17 ppm; 5.16 A): 1 out of 11 assignments used, quality = 1.00: * HB2 SER 35 + H ASP 36 OK 100 100 - 100 - 4.5=100 HA THR 33 - H ASP 36 OK 11 100 - 11 - 2632/3.6=5, 6293/6661=4 HA LEU 77 - H ASP 36 poor 10 85 - 12 - 4.0/7336=6, ~6659=2 HA3 GLY 104 - H ASP 36 lone 9 100 - 9 - 3.0/512=6 HB THR 33 - H ASP 36 lone 8 100 - 8 - 2630/3.6=4, 2636/4.5=2 HB2 SER 13 - H ASP 36 lone 7 93 - 8 - 2630/3.6=3, 1.8/5540=2 HB3 ASN 79 - H ASP 36 lone 6 65 - 9 - 1.8/924=3, ~2640=2 HA GLU 15 - H ASP 36 lone 3 99 - 3 - HA THR 19 - H ASP 36 lone 3 93 - 3 - HA THR 116 - H ASP 36 lone 3 65 - 4 - 3.0/8572=1 HA LYS 119 - H ASP 36 lone 2 73 - 3 - Peak 145 from nnoeabs.peaks (4.14, 8.52, 118.38 ppm; 5.15 A): 1 out of 14 assignments used, quality = 1.00: * HA PRO 37 + H GLU 38 OK 100 100 - 100 - 3.6=100 HA ILE 63 - H GLU 38 OK 30 100 - 30 - ~6709=4, 4.2/7126=3...(12) HA GLU 28 - H GLU 38 OK 27 92 - 29 - 2308/3.9=4, ~6003=4...(14) HA ARG 57 - H GLU 38 OK 25 60 - 42 - ~6076=6, ~1639=5...(13) HB3 SER 78 - H GLU 38 OK 18 90 - 20 - 3.9/366=5, 4040/4.6=3...(7) HA GLU 56 - H GLU 38 OK 18 68 - 26 - 3264/3.9=3, 3.0/146=3...(11) HA SER 78 - H GLU 38 OK 17 71 - 24 - 2.9/366=6, 3.6/1661=4...(7) HA PHE 83 - H GLU 38 OK 13 100 - 13 - 1577/4.6=1, 5757=1, 2671/3.9=1 HA ALA 98 - H GLU 38 lone 10 99 - 10 - 2671/3.9=1, 2678/3.9=1 HB3 SER 72 - H GLU 38 lone 9 100 - 9 - 1.8/927=1 HA ILE 124 - H GLU 38 lone 8 100 - 8 - HB2 SER 113 - H GLU 38 lone 8 97 - 8 - 4.0/1479=2 HA ASN 108 - H GLU 38 lone 7 100 - 7 - HA3 GLY 25 - H GLU 38 lone 2 60 - 4 - Peak 146 from nnoeabs.peaks (1.79, 8.52, 118.38 ppm; 3.93 A): 1 out of 14 assignments used, quality = 1.00: * HB2 PRO 37 + H GLU 38 OK 100 100 - 100 - 3.9=99, 3.0/150=19...(14) HB2 GLU 75 - H GLU 38 OK 30 97 - 31 - 1.8/6704=5, 3.0/6092=5...(10) HG3 PRO 30 - H GLU 38 OK 23 76 - 30 - 2.3/927=5, 2.3/928=4...(11) HB3 GLU 56 - H GLU 38 OK 21 99 - 21 - 1.8/149=3, 2665/3.6=3...(6) HB2 PRO 60 - H GLU 38 OK 20 89 - 23 - 2665/3.6=4, 2679/3.9=4...(7) HB3 ARG 57 - H GLU 38 OK 20 68 - 29 - 1.8/2711=5, 6076/3.0=4...(11) HB2 LEU 117 - H GLU 38 OK 14 95 - 14 - 5140/3.9=2, 2665/3.6=2 HG2 GLU 75 - H GLU 38 OK 13 65 - 20 - 3.6/6092=4, 3.0/6704=4...(7) HB2 LYS 32 - H GLU 38 OK 13 100 - 13 - 2665/3.6=2, 4.7/1447=2...(4) HG LEU 117 - H GLU 38 poor 8 73 - 11 - 5154/3.9=1, ~7086=1...(5) HG2 GLN 42 - H GLU 38 lone 6 65 - 9 - 5.2/168=2, ~6007=2, ~6708=2 HD3 LYS 109 - H GLU 38 lone 6 81 - 7 - 5.2/151=1, 3.9/928=1 HD2 LYS 109 - H GLU 38 lone 5 73 - 7 - 5.2/151=1, 3.9/928=1 HB3 ARG 92 - H GLU 38 lone 3 83 - 4 - 4.2/1496=2 Peak 147 from nnoeabs.peaks (2.21, 8.52, 118.38 ppm; 3.21 A): 4 out of 14 assignments used, quality = 0.96: * HB3 PRO 37 + H GLU 38 OK 76 100 - 76 - 3.9=54, 3.0/150=12...(12) HG2 PRO 37 + H GLU 38 OK 51 95 - 54 - 2.3/150=14, 2.3/151=9...(13) HG2 GLU 38 + H GLU 38 OK 41 71 - 58 - 5.0=26, 3.0/928=9...(10) HG3 GLU 38 + H GLU 38 OK 40 68 - 58 - 5.0=26, 3.0/928=9...(10) HB VAL 26 - H GLU 38 OK 12 83 - 15 - 2667/3.6=2, 2.1/8235=2...(6) HG2 GLU 94 - H GLU 38 poor 9 73 - 12 - 3.0/928=2, 1.8/4536=2...(5) HG2 GLU 28 - H GLU 38 lone 9 92 - 9 - 2666/3.6=1 HG3 GLU 28 - H GLU 38 lone 8 89 - 9 - HB3 LEU 117 - H GLU 38 lone 7 87 - 8 - 1.8/146=1, 5146/3.9=1 HG3 GLU 64 - H GLU 38 lone 7 78 - 9 - 1.8/929=1, 3.0/928=1, 3.0/928=1 HB2 PRO 70 - H GLU 38 lone 6 60 - 10 - 2.3/149=2 HB2 GLU 73 - H GLU 38 lone 4 71 - 6 - 3.0/6084=2 HB VAL 49 - H GLU 38 lone 4 63 - 6 - 2.1/8407=1 HB2 PRO 68 - H GLU 38 lone 3 85 - 3 - Peak 148 from nnoeabs.peaks (2.20, 8.52, 118.38 ppm; 3.37 A): 3 out of 7 assignments used, quality = 0.92: HB3 PRO 37 + H GLU 38 OK 77 95 - 81 - 3.9=62, 3.0/150=14...(12) * HG2 PRO 37 + H GLU 38 OK 59 100 - 59 - 2.3/150=16, 5546=10...(13) HB VAL 26 + H GLU 38 OK 17 99 - 17 - 2667/3.6=3, 2.1/8235=2...(6) HB2 GLU 73 - H GLU 38 lone 7 96 - 8 - 3.0/6084=2, 3913/3.0=1 HB VAL 49 - H GLU 38 lone 7 92 - 8 - 2.1/8407=1, 2667/3.6=1 HG2 GLU 28 - H GLU 38 lone 6 63 - 9 - 2666/3.6=1, 4.0/145=1 HG3 GLU 28 - H GLU 38 lone 5 57 - 9 - 4.0/145=1, 2666/3.6=1 Peak 149 from nnoeabs.peaks (2.05, 8.52, 118.38 ppm; 3.23 A): 3 out of 12 assignments used, quality = 0.91: HB3 GLU 38 + H GLU 38 OK 74 97 - 76 - 3.8=60, 1.8/928=12...(12) * HG3 PRO 37 + H GLU 38 OK 57 100 - 57 - 2.3/150=14, 2.3/148=12...(13) HG3 PRO 60 + H GLU 38 OK 19 100 - 19 - 2668/3.6=3, 2695/3.9=3...(9) HB2 ARG 57 - H GLU 38 OK 18 78 - 24 - 2711=4, ~6076=3...(11) HG3 PRO 70 - H GLU 38 OK 16 98 - 16 - 7272/4.6=3, 2668/3.6=2...(6) HB2 GLU 56 - H GLU 38 OK 15 97 - 16 - 1.8/146=2, 2668/3.6=2...(7) HB ILE 63 - H GLU 38 OK 12 93 - 13 - ~6709=2, 2702/3.0=2...(6) HG2 GLU 64 - H GLU 38 lone 7 78 - 10 - 1.8/931=1, 3.0/928=1...(4) HB3 ARG 53 - H GLU 38 lone 6 60 - 10 - 3.0/3121=1, 1.8/3129=1 HB3 ARG 81 - H GLU 38 lone 5 100 - 4 - HB2 GLN 16 - H GLU 38 lone 3 60 - 4 - 3.0/151=1 HB2 GLN 105 - H GLU 38 lone 2 65 - 4 - Peak 150 from nnoeabs.peaks (3.43, 8.52, 118.38 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.87: * HD2 PRO 37 + H GLU 38 OK 83 100 - 83 - 3.8/6705=27, 5541=19...(18) HA2 GLY 86 + H GLU 38 OK 13 76 - 17 - 2669/3.6=4, 2676/3.9=3...(5) HB2 SER 44 + H GLU 38 OK 11 65 - 17 - 2669/3.6=4, 2676/3.9=3...(5) Peak 151 from nnoeabs.peaks (4.04, 8.52, 118.38 ppm; 4.07 A): 6 out of 8 assignments used, quality = 0.94: * HD3 PRO 37 + H GLU 38 OK 82 100 - 82 - 1.8/150=26, 3.8/6705=22...(18) HA ALA 14 + H GLU 38 OK 37 78 - 47 - 2.1/6314=12, ~6311=8...(12) HA LEU 55 + H GLU 38 OK 20 95 - 21 - 3.0/1447=3, 6706/3.0=2...(10) HA TYR 102 + H GLU 38 OK 15 100 - 15 - 2670/3.6=2, 6664/6705=2...(6) HA LYS 109 + H GLU 38 OK 15 98 - 15 - 2670/3.6=2, 2677/3.9=2...(5) HA GLN 16 + H GLU 38 OK 11 97 - 11 - 2670/3.6=1, 2677/3.9=1...(4) HA SER 44 - H GLU 38 poor 9 73 - 12 - 3.0/150=3, 2670/3.6=2...(5) HA SER 112 - H GLU 38 lone 9 92 - 9 - ~6009=2, 3.6/1479=1...(4) Peak 152 from nnoeabs.peaks (8.52, 8.09, 108.32 ppm; 3.09 A): 3 out of 18 assignments used, quality = 0.68: * H GLU 38 + H GLY 39 OK 52 100 - 52 - 4.6=30, 3.0/153=10...(9) H LEU 41 + H GLY 39 OK 23 81 - 29 - 1585=7, 4.6/158=6...(5) H LEU 77 + H GLY 39 OK 14 97 - 15 - 1480=3, 1653/3.6=2, 3.6/6099=1 H GLU 38 - HD22 ASN 79 poor 8 63 - 12 - 1447=4, 3.0/5548=2 H GLU 28 - H GLY 39 lone 7 78 - 9 - 6003/3.6=1 H GLU 94 - H GLY 39 lone 7 85 - 8 - 6004/3.6=2 H ARG 53 - H GLY 39 lone 7 76 - 9 - 6004/3.6=1, 6010/2.9=1 H LEU 77 - HD22 ASN 79 lone 5 57 - 9 - 1651/1.7=2, 1661/5.6=2...(4) H ARG 53 - HD22 ASN 79 poor 5 41 - 12 - 3.6/6058=2, 4.7/1463=2...(5) H SER 13 - H GLY 39 lone 4 83 - 5 - 800/3.6=1 H LYS 31 - H GLY 39 lone 4 73 - 6 - H LEU 41 - HD22 ASN 79 lone 3 44 - 7 - 1585=2, 4.6/158=2 H LEU 84 - H GLY 39 lone 3 71 - 4 - H LYS 31 - HD22 ASN 79 lone 2 39 - 5 - 4.6/1445=2, 1444/1.7=1 H GLU 28 - HD22 ASN 79 lone 2 42 - 4 - H LEU 84 - HD22 ASN 79 lone 1 37 - 4 - 1661/5.6=1, 1685/4.4=1 H GLU 94 - HD22 ASN 79 lone 1 47 - 3 - H SER 13 - HD22 ASN 79 lone 1 45 - 2 - Peak 153 from nnoeabs.peaks (3.76, 8.09, 108.32 ppm; 3.50 A): 1 out of 22 assignments used, quality = 0.97: * HA GLU 38 + H GLY 39 OK 97 100 - 97 - 3.6=94, 3.0/1447=14...(9) HA LEU 54 - H GLY 39 OK 17 97 - 18 - 5621=2, 3.0/1463=2...(8) HD2 PRO 30 - H GLY 39 OK 14 99 - 15 - 1579/4.6=3, 927/4.6=2...(5) HA LEU 54 - HD22 ASN 79 OK 11 57 - 20 - 3.0/1463=3, 5621=3...(7) HA GLU 38 - HD22 ASN 79 OK 10 63 - 16 - 3.0/1447=3, 5548=3...(6) HA CYS 87 - H GLY 39 lone 9 100 - 9 - HB3 SER 13 - H GLY 39 lone 8 99 - 8 - HA GLU 73 - H GLY 39 lone 6 92 - 6 - 6084/4.6=2 HB3 SER 74 - H GLY 39 lone 5 76 - 6 - 3.0/6091=1 HB2 SER 74 - H GLY 39 lone 5 73 - 6 - 3.0/6091=1 HD2 PRO 30 - HD22 ASN 79 lone 3 60 - 6 - HB3 SER 35 - H GLY 39 lone 3 100 - 3 - HB3 SER 13 - HD22 ASN 79 lone 3 61 - 4 - HB3 SER 90 - H GLY 39 lone 2 71 - 3 - HB2 SER 72 - H GLY 39 lone 2 87 - 3 - HA CYS 87 - HD22 ASN 79 lone 2 63 - 3 - HB3 SER 35 - HD22 ASN 79 lone 2 63 - 3 - HB3 SER 74 - HD22 ASN 79 lone 2 41 - 5 - ~5716=1 HB2 SER 74 - HD22 ASN 79 lone 2 39 - 5 - ~5716=1 HA GLU 73 - HD22 ASN 79 lone 2 53 - 3 - 6080/3.5=1 HB2 SER 72 - HD22 ASN 79 lone 2 48 - 3 - HB3 SER 90 - HD22 ASN 79 lone 0 37 - 1 - Peak 154 from nnoeabs.peaks (1.94, 8.09, 108.32 ppm; 3.74 A): 5 out of 28 assignments used, quality = 0.88: * HB2 GLU 38 + H GLY 39 OK 80 100 - 80 - 4.4=63, 3.0/153=14...(7) HB3 PRO 30 + H GLY 39 OK 15 99 - 15 - 2701/3.6=3, 928/4.6=2...(6) HB3 ARG 85 + H GLY 39 OK 12 99 - 12 - 2701/3.6=2, 5549=2...(5) HB2 ARG 85 + H GLY 39 OK 12 99 - 12 - 2701/3.6=2, 5549=2...(5) HB2 GLU 38 + HD22 ASN 79 OK 11 63 - 17 - 5549=3, 3.8/1447=3...(7) HB2 GLU 64 - H GLY 39 lone 9 100 - 9 - 2701/3.6=2, 2713/4.4=1 HB3 GLU 64 - H GLY 39 lone 9 99 - 9 - 2701/3.6=2, 2713/4.4=1 HB3 GLU 69 - H GLY 39 lone 9 100 - 9 - 4.8/933=2, 1.8/4778=1 HB3 GLU 94 - H GLY 39 lone 9 96 - 9 - 2701/3.6=2, 928/4.6=2, 4.0/152=1 HB2 LEU 21 - H GLY 39 lone 8 92 - 9 - 3.0/5990=2, 4.6/1567=2 HB3 GLU 69 - HD22 ASN 79 poor 7 63 - 11 - 4.8/7275=4, 3.6/8144=2...(4) HB3 LYS 119 - H GLY 39 lone 6 100 - 6 - HG LEU 58 - H GLY 39 lone 5 98 - 5 - HB3 PRO 30 - HD22 ASN 79 lone 5 61 - 8 - ~6582=1, ~6581=1 HB2 LYS 109 - H GLY 39 lone 4 100 - 4 - HB ILE 80 - HD22 ASN 79 lone 4 47 - 9 - 7370/5.6=3, ~7416=2, ~7427=2 HB ILE 80 - H GLY 39 lone 4 85 - 5 - 3.9/1666=1 HB2 LEU 21 - HD22 ASN 79 lone 3 53 - 5 - 3.0/5990=2, 4.6/1567=1 HB3 ARG 85 - HD22 ASN 79 lone 3 61 - 4 - HB2 ARG 85 - HD22 ASN 79 lone 3 61 - 4 - HB3 LYS 119 - HD22 ASN 79 lone 2 63 - 4 - HB2 GLU 64 - HD22 ASN 79 lone 2 62 - 4 - HB3 GLU 64 - HD22 ASN 79 lone 2 61 - 4 - HG LEU 58 - HD22 ASN 79 lone 2 59 - 3 - HB3 GLU 94 - HD22 ASN 79 lone 2 56 - 3 - HB2 LYS 109 - HD22 ASN 79 lone 1 62 - 2 - HB3 MET 11 - H GLY 39 lone 1 71 - 1 - HB3 MET 11 - HD22 ASN 79 lone 1 37 - 2 - Peak 155 from nnoeabs.peaks (2.06, 8.09, 108.32 ppm; 3.52 A): 7 out of 30 assignments used, quality = 0.93: * HB3 GLU 38 + H GLY 39 OK 73 100 - 73 - 4.4=53, 3.0/153=13...(7) HG3 PRO 70 + HD22 ASN 79 OK 30 47 - 65 - 7272=16, 7273/1.7=11...(19) HG3 PRO 70 + H GLY 39 OK 30 85 - 35 - 7272=8, 2.3/933=4...(14) HG3 PRO 37 + H GLY 39 OK 18 97 - 19 - 2702/3.6=4, 3.8/5996=4...(6) HB2 ARG 57 + H GLY 39 OK 14 96 - 15 - 6074/3.6=3, 5550=2...(6) HB2 GLN 105 + HD22 ASN 79 OK 14 50 - 29 - 4770=5, 1.8/4778=4...(13) HB ILE 63 + H GLY 39 OK 12 100 - 12 - 3.2/7127=3, 2702/3.6=2 HB3 GLU 38 - HD22 ASN 79 poor 10 63 - 16 - 7380/1.7=2, 5550=2...(7) HB2 GLN 105 - H GLY 39 poor 9 89 - 10 - 4770=2, 1.8/4778=2...(4) HB2 GLU 56 - H GLY 39 lone 8 83 - 10 - 4.6/1638=1, 3.7/250=1...(4) HG2 GLU 64 - H GLY 39 lone 8 96 - 8 - 2702/3.6=1, 3.0/154=1, 3.0/154=1 HB ILE 63 - HD22 ASN 79 poor 7 62 - 12 - 3.2/7127=4, 7380/1.7=2 HG3 PRO 60 - H GLY 39 lone 6 93 - 6 - 149/4.6=1, 2702/3.6=1 HG LEU 21 - H GLY 39 lone 5 76 - 6 - 4.3/5990=2 HG3 PRO 37 - HD22 ASN 79 lone 4 58 - 7 - 3.8/5996=1, 7380/1.7=1 HB2 GLU 56 - HD22 ASN 79 lone 4 45 - 10 - 3.7/250=3, 4.6/1638=1 HB2 LEU 114 - H GLY 39 lone 4 78 - 5 - HB2 ARG 57 - HD22 ASN 79 lone 4 56 - 6 - 3.7/1638=1 HB3 ARG 81 - H GLY 39 lone 3 99 - 3 - HB2 GLU 15 - H GLY 39 lone 2 65 - 3 - HG3 PRO 60 - HD22 ASN 79 lone 2 54 - 4 - HB2 GLN 16 - H GLY 39 lone 2 85 - 2 - HB3 GLN 16 - H GLY 39 lone 2 83 - 2 - HB3 ARG 81 - HD22 ASN 79 lone 2 60 - 3 - HG LEU 21 - HD22 ASN 79 lone 1 41 - 3 - 4.3/5990=1 HG2 GLU 64 - HD22 ASN 79 lone 1 56 - 2 - HB2 LEU 114 - HD22 ASN 79 lone 1 42 - 3 - HB2 GLN 16 - HD22 ASN 79 lone 1 47 - 2 - HB3 GLN 16 - HD22 ASN 79 lone 1 45 - 2 - HB2 GLU 15 - HD22 ASN 79 lone 1 34 - 2 - Peak 156 from nnoeabs.peaks (2.24, 8.09, 108.32 ppm; 3.93 A): 3 out of 28 assignments used, quality = 0.97: * HG2 GLU 38 + H GLY 39 OK 74 100 - 74 - 4.9=51, 4.0/153=12...(9) HG3 GLU 38 + H GLY 39 OK 74 100 - 74 - 4.9=51, 4.0/153=12...(9) HB2 PRO 70 + HD22 ASN 79 OK 47 62 - 76 - 2.3/7272=16, 7269/1.7=14...(21) HB2 PRO 70 - H GLY 39 OK 40 100 - 40 - 2.3/7272=8, 1.8/7267=5...(15) HB3 PRO 37 - H GLY 39 OK 22 71 - 31 - 3.9/1447=13, 2.3/5996=7...(9) HG3 GLU 28 - H GLY 39 OK 11 99 - 11 - 5.1/1448=2, 4.0/1577=1...(4) HG2 GLU 38 - HD22 ASN 79 OK 11 63 - 17 - 5551=2, 4.0/5548=2...(7) HG3 GLU 38 - HD22 ASN 79 OK 11 63 - 17 - 5552=2, 4.0/5548=2...(7) HG2 GLU 28 - H GLY 39 OK 11 97 - 11 - 5.1/1448=2, 4.0/1577=1...(4) HG3 GLU 64 - H GLY 39 lone 10 100 - 10 - 2704/3.6=1, 3.0/154=1...(4) HG2 GLU 56 - H GLY 39 lone 9 99 - 9 - 2704/3.6=1, 4.9/250=1, 931/4.6=1 HG2 GLU 94 - H GLY 39 lone 9 100 - 9 - 2704/3.6=2, 4530/4.6=1 HB2 PRO 68 - HD22 ASN 79 poor 8 61 - 13 - 3.9/8144=2, 7227/7200=2...(4) HB2 PRO 68 - H GLY 39 lone 8 99 - 8 - HB3 LEU 117 - H GLY 39 lone 7 99 - 7 - HG2 GLU 56 - HD22 ASN 79 lone 6 61 - 10 - 4.9/250=2 HG3 GLU 15 - H GLY 39 lone 5 97 - 5 - HB3 LEU 117 - HD22 ASN 79 lone 5 61 - 8 - ~7381=1, ~6912=1 HB3 PRO 37 - HD22 ASN 79 poor 4 37 - 11 - 3.9/1447=3, 2.3/5996=2 HG3 GLU 94 - H GLY 39 lone 4 60 - 7 - 3.0/154=1, 2704/3.6=1 HB2 CYS 87 - H GLY 39 lone 3 60 - 5 - 3.0/153=1, 4341/3.6=1 HG3 GLU 15 - HD22 ASN 79 lone 2 57 - 4 - HG3 GLU 64 - HD22 ASN 79 lone 2 63 - 3 - HG3 GLU 28 - HD22 ASN 79 lone 2 60 - 3 - HG2 GLU 28 - HD22 ASN 79 lone 2 58 - 3 - HG2 GLU 94 - HD22 ASN 79 lone 2 63 - 2 - HB2 CYS 87 - HD22 ASN 79 lone 1 31 - 2 - HG3 GLU 94 - HD22 ASN 79 lone 0 31 - 2 - Peak 157 from nnoeabs.peaks (2.24, 8.09, 108.32 ppm; 3.93 A): 3 out of 28 assignments used, quality = 0.97: HG2 GLU 38 + H GLY 39 OK 74 100 - 74 - 4.9=51, 4.0/153=12...(9) * HG3 GLU 38 + H GLY 39 OK 74 100 - 74 - 4.9=51, 4.0/153=12...(9) HB2 PRO 70 + HD22 ASN 79 OK 47 63 - 76 - 2.3/7272=16, 7269/1.7=14...(21) HB2 PRO 70 - H GLY 39 OK 40 100 - 40 - 2.3/7272=8, 1.8/7267=5...(15) HB3 PRO 37 - H GLY 39 OK 21 68 - 31 - 3.9/1447=13, 2.3/5996=7...(9) HG3 GLU 38 - HD22 ASN 79 OK 11 63 - 17 - 5552=2, 4.0/5548=2...(7) HG2 GLU 38 - HD22 ASN 79 OK 11 63 - 17 - 5551=2, 4.0/5548=2...(7) HG3 GLU 28 - H GLY 39 OK 11 98 - 11 - 5.1/1448=2, 4.0/1577=1...(4) HG2 GLU 28 - H GLY 39 OK 11 97 - 11 - 5.1/1448=2, 4.0/1577=1...(4) HG3 GLU 64 - H GLY 39 lone 10 100 - 10 - 2704/3.6=1, 3.0/154=1...(4) HG2 GLU 56 - H GLY 39 lone 9 100 - 9 - 2704/3.6=1, 4.9/250=1, 931/4.6=1 HG2 GLU 94 - H GLY 39 lone 9 100 - 8 - 2704/3.6=2, 4530/4.6=1 HB2 PRO 68 - HD22 ASN 79 poor 8 61 - 13 - 3.9/8144=2, 7227/7200=2...(4) HB2 PRO 68 - H GLY 39 lone 8 99 - 8 - HB3 LEU 117 - H GLY 39 lone 7 99 - 7 - HG2 GLU 56 - HD22 ASN 79 lone 6 62 - 10 - 4.9/250=2 HG3 GLU 15 - H GLY 39 lone 5 97 - 5 - HB3 LEU 117 - HD22 ASN 79 lone 5 60 - 8 - ~7381=1, ~6912=1 HG3 GLU 94 - H GLY 39 lone 4 63 - 7 - 3.0/154=1, 2704/3.6=1 HB3 PRO 37 - HD22 ASN 79 poor 4 36 - 11 - 3.9/1447=3, 2.3/5996=2 HB2 CYS 87 - H GLY 39 lone 3 63 - 5 - 3.0/153=1, 4341/3.6=1 HG3 GLU 15 - HD22 ASN 79 lone 2 58 - 4 - HG3 GLU 64 - HD22 ASN 79 lone 2 62 - 3 - HG3 GLU 28 - HD22 ASN 79 lone 2 59 - 3 - HG2 GLU 28 - HD22 ASN 79 lone 2 57 - 3 - HG2 GLU 94 - HD22 ASN 79 lone 2 63 - 2 - HB2 CYS 87 - HD22 ASN 79 lone 1 32 - 2 - HG3 GLU 94 - HD22 ASN 79 lone 1 32 - 2 - Peak 158 from nnoeabs.peaks (8.09, 8.49, 123.07 ppm; 3.35 A): 4 out of 7 assignments used, quality = 0.69: * H GLY 39 + H PHE 40 OK 52 100 - 52 - 4.6=38, 3.6/1579=7...(8) H SER 78 + H PHE 40 OK 16 76 - 21 - 366=4, 1655/3.0=3...(8) HD22 ASN 79 + H PHE 40 OK 14 97 - 15 - 1448=4, 2729/3.6=3...(5) H GLN 105 + H PHE 40 OK 11 99 - 11 - 4.7/7780=2, 7783/4.0=2...(4) H THR 33 - H PHE 40 lone 9 100 - 9 - 6621/6736=2 H LEU 55 - H PHE 40 lone 6 71 - 9 - 6998/4.5=2, 1585/4.6=2 H LEU 24 - H PHE 40 lone 6 99 - 6 - Peak 159 from nnoeabs.peaks (3.60, 8.49, 123.07 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 39 + H PHE 40 OK 100 100 - 100 - 3.6=100 HD2 PRO 70 - H PHE 40 OK 15 99 - 15 - 2733/3.6=4, 7275/4.6=3...(4) HA LEU 111 - H PHE 40 OK 14 100 - 14 - 3.6/1582=4, 1583/4.6=3...(4) HA GLU 75 - H PHE 40 OK 13 85 - 15 - 6093/4.6=3, 2733/3.6=2...(6) HA VAL 115 - H PHE 40 lone 8 95 - 9 - 1583/4.6=2, ~7976=1, 2733/3.6=1 HA2 GLY 48 - H PHE 40 lone 3 78 - 3 - Peak 160 from nnoeabs.peaks (3.81, 8.49, 123.07 ppm; 3.82 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 39 + H PHE 40 OK 100 100 - 100 - 3.6=100 HB2 SER 29 - H PHE 40 OK 11 100 - 11 - 4.8/1579=3, 3.9/105=2 HB3 SER 29 - H PHE 40 OK 11 99 - 11 - 4.8/1579=3, 3.9/105=2 HA2 GLY 88 - H PHE 40 lone 8 100 - 8 - 2731/3.6=2, 1584/4.6=1, 5554=1 HA3 GLY 88 - H PHE 40 lone 7 99 - 8 - 2731/3.6=2, 1584/4.6=1 HB2 SER 74 - H PHE 40 lone 5 68 - 7 - 1.8/1579=1, 3.0/6086=1 HB3 SER 74 - H PHE 40 lone 4 65 - 7 - 1.8/1579=1, 3.0/6086=1 HB2 SER 90 - H PHE 40 lone 4 98 - 4 - HA THR 116 - H PHE 40 lone 3 76 - 4 - HA LYS 119 - H PHE 40 lone 2 68 - 3 - HA2 GLY 61 - H PHE 40 lone 1 93 - 1 - Peak 161 from nnoeabs.peaks (8.49, 8.54, 122.77 ppm; 3.24 A): 3 out of 8 assignments used, quality = 0.81: * H PHE 40 + H LEU 41 OK 67 100 - 67 - 4.6=36, 938/4.7=10...(12) H LEU 84 + H LEU 41 OK 30 99 - 30 - 1689=7, 1688/3.0=4...(11) H GLU 28 + H LEU 41 OK 18 97 - 19 - 102/4.1=3, 4.6/6758=2...(9) H LEU 77 - H LEU 41 poor 9 81 - 11 - 4.5/1450=3, 2735/3.6=1 H TYR 102 - H LEU 41 lone 7 97 - 8 - 2735/3.6=2, 2749/4.7=1 H SER 13 - H LEU 41 lone 7 96 - 7 - 18/4.7=1, 4.0/1586=1 H LYS 31 - H LEU 41 lone 3 99 - 4 - H GLY 2 - H LEU 41 lone 1 100 - 1 - Peak 162 from nnoeabs.peaks (4.34, 8.54, 122.77 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HA PHE 40 + H LEU 41 OK 100 100 - 100 - 3.6=100 HA ASP 100 - H LEU 41 OK 34 95 - 36 - 3.0/163=8, 2750/4.7=6...(9) HB THR 17 - H LEU 41 OK 30 97 - 31 - 6756/4.3=10, 6757/4.3=7...(9) HA CYS 76 - H LEU 41 OK 12 85 - 14 - 3.6/161=2, 936/4.6=2...(6) HA MET 11 - H LEU 41 lone 3 63 - 5 - Peak 163 from nnoeabs.peaks (2.90, 8.54, 122.77 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.87: * HB2 PHE 40 + H LEU 41 OK 81 100 - 81 - 4.7=61, 1.8/164=23...(6) HB2 ASP 100 + H LEU 41 OK 34 100 - 34 - 5556=8, 2737/3.6=7...(6) HB3 ASN 12 - H LEU 41 lone 9 97 - 9 - 2737/3.6=2, 5438/4.6=2...(5) HB2 ASN 106 - H LEU 41 lone 8 99 - 8 - 2737/3.6=2, 937/4.6=1...(4) HE2 LYS 32 - H LEU 41 lone 3 65 - 5 - 4566/4.5=1 HE3 LYS 32 - H LEU 41 lone 3 63 - 5 - 4566/4.5=1 Peak 164 from nnoeabs.peaks (3.35, 8.54, 122.77 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.90: * HB3 PHE 40 + H LEU 41 OK 83 100 - 83 - 4.7=64, 1.8/163=23...(6) HD3 PRO 60 + H LEU 41 OK 26 96 - 27 - 2738/3.6=5, 4567/4.5=4...(9) HD3 ARG 85 + H LEU 41 OK 20 89 - 23 - 3.0/945=3, 2738/3.6=3...(11) HA LEU 21 - H LEU 41 lone 5 63 - 9 - Peak 167 from nnoeabs.peaks (7.12, 8.54, 122.77 ppm; 4.08 A): 3 out of 4 assignments used, quality = 0.98: * QD PHE 40 + H LEU 41 OK 93 100 - 93 - 4.5=72, 2.5/164=21...(14) QD PHE 83 + H LEU 41 OK 47 99 - 48 - 8258/3.0=6, 2741/3.6=6...(14) HE ARG 53 + H LEU 41 OK 46 92 - 50 - 6769/4.3=7, 2.9/3169=7...(15) HE ARG 92 - H LEU 41 OK 11 92 - 12 - 2741/3.6=1, 8258/3.0=1...(4) Peak 168 from nnoeabs.peaks (8.54, 8.05, 119.04 ppm; 3.53 A): 5 out of 5 assignments used, quality = 0.88: * H LEU 41 + H GLN 42 OK 76 100 - 76 - 4.6=45, 4.3/5565=10...(18) H GLU 38 + H GLN 42 OK 23 81 - 28 - 3.0/6009=12, 2777/3.6=3...(8) H ARG 53 + H GLN 42 OK 21 100 - 21 - 2777/3.6=3, 2805/4.9=3...(7) H GLU 94 + H GLN 42 OK 13 100 - 13 - 1239/4.2=2, 2777/3.6=2...(5) H GLY 86 + H GLN 42 OK 11 87 - 13 - 2791/4.2=2, 2777/3.6=2...(6) Peak 169 from nnoeabs.peaks (3.64, 8.05, 119.04 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 41 + H GLN 42 OK 100 100 - 100 - 3.6=100 HA LYS 46 + H GLN 42 OK 49 99 - 49 - 1595/4.7=8, 2792/4.2=6...(16) HA ILE 80 - H GLN 42 OK 27 99 - 27 - 2806/4.9=4, 2792/4.2=4...(9) HA VAL 115 - H GLN 42 OK 13 68 - 19 - 2792/4.2=2, 3.2/174=2...(8) Peak 170 from nnoeabs.peaks (1.98, 8.05, 119.04 ppm; 3.89 A): 2 out of 14 assignments used, quality = 0.97: * HB2 LEU 41 + H GLN 42 OK 94 100 - 94 - 4.2=80, 3.1/5565=16...(20) HG LEU 45 + H GLN 42 OK 44 97 - 45 - ~6786=7, 8269/4.9=6...(16) HB2 LYS 46 - H GLN 42 OK 40 92 - 43 - 3.0/169=7, 1.8/2843=7...(18) HB2 ARG 71 - H GLN 42 OK 29 98 - 30 - 3852/3.0=5, 3.6/950=4...(12) HB ILE 124 - H GLN 42 OK 23 100 - 23 - 5347/4.9=4, 2793/4.2=3...(7) HB3 GLN 103 - H GLN 42 OK 14 100 - 14 - 4.4/1451=4, 3.0/7766=2 HB2 LEU 55 - H GLN 42 OK 14 87 - 16 - 5562=2, 2785/3.6=2...(4) HB3 PRO 68 - H GLN 42 lone 10 100 - 10 - 7228/4.9=2, 2793/4.2=1 HG2 PRO 60 - H GLN 42 lone 10 97 - 10 - 2779/3.6=1, 2793/4.2=1...(4) HG LEU 114 - H GLN 42 lone 9 100 - 9 - HB2 GLU 94 - H GLN 42 lone 8 92 - 9 - 4.0/168=2, 4518/4.6=1 HG2 PRO 68 - H GLN 42 lone 8 100 - 8 - HB2 MET 11 - H GLN 42 lone 5 100 - 5 - HB3 GLU 94 - H GLN 42 lone 4 60 - 7 - 4.0/168=2 Peak 171 from nnoeabs.peaks (1.66, 8.05, 119.04 ppm; 3.15 A): 3 out of 8 assignments used, quality = 0.94: * HB3 LEU 41 + H GLN 42 OK 71 100 - 71 - 4.2=43, 3.1/5565=10...(18) HB3 GLN 42 + H GLN 42 OK 65 83 - 79 - 4.0=48, 1.8/2827=19...(18) HG3 GLN 42 + H GLN 42 OK 39 60 - 65 - 5.2=23, 3.0/2827=14...(17) HG LEU 27 - H GLN 42 OK 29 100 - 29 - 2.1/174=3, 2.1/174=3...(14) HG3 ARG 85 - H GLN 42 lone 9 97 - 10 - 945/4.6=1, 2780/3.6=1 HG LEU 51 - H GLN 42 poor 9 78 - 11 - ~6786=2, ~6936=1...(4) HB ILE 34 - H GLN 42 lone 7 98 - 7 - HB3 LYS 32 - H GLN 42 lone 6 89 - 6 - Peak 172 from nnoeabs.peaks (1.83, 8.05, 119.04 ppm; 4.52 A): 7 out of 12 assignments used, quality = 0.93: * HG LEU 41 + H GLN 42 OK 78 100 - 78 - 2.1/5565=25, 2.1/5566=15...(16) HG3 ARG 53 + H GLN 42 OK 31 100 - 31 - 946/4.6=6, 2781/3.6=5...(9) HG13 ILE 63 + H GLN 42 OK 23 96 - 24 - 2781/3.6=3, 2795/4.2=3...(8) HG12 ILE 22 + H GLN 42 OK 16 92 - 17 - 2795/4.2=3, 2781/3.6=2...(7) HG2 GLU 75 + H GLN 42 OK 13 85 - 15 - 3.6/6093=4, 3.0/953=1, ~6033=1 HG2 GLU 73 + H GLN 42 OK 11 99 - 11 - 2781/3.6=2, 2795/4.2=1...(6) HG3 GLU 73 + H GLN 42 OK 11 99 - 11 - 2781/3.6=1, 2795/4.2=1...(6) HB2 GLU 69 - H GLN 42 lone 9 100 - 9 - 4.8/1591=2, 2781/3.6=1 HB3 ARG 57 - H GLN 42 poor 8 83 - 10 - 6076/6009=2, 2795/4.2=1 HB2 PRO 60 - H GLN 42 poor 6 60 - 11 - 2795/4.2=2, 2781/3.6=1...(6) HB3 GLN 105 - H GLN 42 lone 5 93 - 6 - HB3 ARG 92 - H GLN 42 lone 3 68 - 5 - Peak 173 from nnoeabs.peaks (0.89, 8.05, 119.04 ppm; 3.47 A): 4 out of 9 assignments used, quality = 0.92: * QD2 LEU 41 + H GLN 42 OK 75 100 - 75 - 4.9=36, 2806/3.6=13...(19) HB2 GLN 42 + H GLN 42 OK 55 63 - 88 - 4.0=64, 1.8/2835=20...(18) QD1 ILE 124 + H GLN 42 OK 18 100 - 18 - 5371/4.2=4, 2782/3.6=3...(6) QG1 VAL 49 + H GLN 42 OK 16 99 - 16 - 8407/4.6=4, 2782/3.6=3...(5) HG13 ILE 80 - H GLN 42 poor 9 83 - 10 - 4.0/169=2, 2782/3.6=2...(4) QD2 LEU 59 - H GLN 42 lone 8 99 - 8 - QD1 LEU 117 - H GLN 42 lone 7 83 - 9 - QD2 LEU 126 - H GLN 42 lone 5 89 - 5 - QD1 LEU 126 - H GLN 42 lone 4 85 - 5 - Peak 174 from nnoeabs.peaks (0.93, 8.05, 119.04 ppm; 3.32 A): 3 out of 12 assignments used, quality = 0.96: HB2 GLN 42 + H GLN 42 OK 77 92 - 84 - 4.0=56, 1.8/2835=18...(17) * QD1 LEU 41 + H GLN 42 OK 72 100 - 72 - 4.9=32, 2.1/5565=14...(19) QD2 LEU 27 + H GLN 42 OK 34 98 - 35 - 2.1/171=4, 2301/4.2=4...(16) QD1 LEU 27 - H GLN 42 OK 33 99 - 33 - 2.1/171=4, 5566=3...(15) QG2 VAL 115 - H GLN 42 OK 17 99 - 17 - 3.2/1591=2, 8168/4.2=2 QD1 ILE 63 - H GLN 42 OK 14 98 - 15 - 7126/4.6=2, 2.1/172=2...(5) QG2 ILE 22 - H GLN 42 poor 10 99 - 10 - 3.2/172=1 QD1 LEU 55 - H GLN 42 lone 9 100 - 9 - 3.1/5562=1, 2783/3.6=1 QG2 VAL 49 - H GLN 42 lone 8 96 - 9 - 2783/3.6=1 QG2 ILE 124 - H GLN 42 poor 7 68 - 10 - 2.1/170=2, 5350/4.2=2...(5) QD1 LEU 117 - H GLN 42 lone 6 76 - 8 - QD1 LEU 126 - H GLN 42 lone 2 73 - 3 - Peak 175 from nnoeabs.peaks (8.05, 7.50, 118.06 ppm; 3.36 A): 3 out of 3 assignments used, quality = 0.84: * H GLN 42 + H ALA 43 OK 76 100 - 76 - 4.7=38, 6817/2.9=12...(17) H SER 112 + H ALA 43 OK 24 85 - 28 - 6817/2.9=4, 2819/3.6=4...(10) H SER 78 + H ALA 43 OK 14 85 - 17 - 6817/2.9=3, 2819/3.6=2...(7) Peak 176 from nnoeabs.peaks (3.21, 7.50, 118.06 ppm; 4.02 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 42 + H ALA 43 OK 100 100 - 100 - 3.6=100 HD2 ARG 71 - H ALA 43 OK 20 99 - 20 - 2828/4.6=4, 950/4.7=3...(8) HB3 PHE 83 - H ALA 43 OK 19 100 - 19 - 1.8/6802=5, ~6813=3...(7) HD2 ARG 81 - H ALA 43 OK 12 96 - 12 - 2828/4.6=3, 950/4.7=2...(4) HB3 TRP 20 - H ALA 43 lone 9 97 - 10 - 1601/4.6=2, 6547/2.9=1...(4) HD3 ARG 71 - H ALA 43 poor 9 65 - 14 - 2828/4.6=2, 3892/3.6=2...(6) Peak 177 from nnoeabs.peaks (0.92, 7.50, 118.06 ppm; 3.66 A): 3 out of 12 assignments used, quality = 0.93: * HB2 GLN 42 + H ALA 43 OK 81 100 - 81 - 4.6=50, 3.0/180=17...(14) QD1 LEU 41 + H ALA 43 OK 45 92 - 49 - 4.9/175=11, 4.3/1596=10...(14) QD2 LEU 41 + H ALA 43 OK 30 63 - 47 - 4.9/175=11, 4.3/1596=10...(14) QD2 LEU 27 - H ALA 43 OK 19 99 - 19 - 2821/3.6=3, 2.1/178=3...(7) QG2 VAL 115 - H ALA 43 OK 19 99 - 19 - 7977/2.9=3, 3.2/1598=3...(6) QD1 LEU 27 - H ALA 43 OK 18 98 - 19 - 2821/3.6=3, 2.1/178=3...(6) QG2 VAL 49 - H ALA 43 lone 9 100 - 9 - 6824/4.6=3, 6806/2.9=1 QD1 LEU 55 - H ALA 43 lone 7 87 - 8 - QD1 LEU 117 - H ALA 43 lone 7 99 - 7 - QG2 ILE 22 - H ALA 43 lone 7 99 - 7 - QD1 ILE 63 - H ALA 43 lone 4 73 - 6 - QD1 LEU 126 - H ALA 43 lone 2 98 - 2 - Peak 178 from nnoeabs.peaks (1.64, 7.50, 118.06 ppm; 3.50 A): 5 out of 15 assignments used, quality = 0.90: * HB3 GLN 42 + H ALA 43 OK 76 100 - 76 - 4.6=44, 3.0/180=16...(13) HB3 LEU 41 + H ALA 43 OK 40 83 - 48 - 4.2/175=13, 4.1/1596=9...(15) HG LEU 27 + H ALA 43 OK 15 90 - 16 - 2822/3.6=3, 2.1/177=2...(5) HG LEU 101 + H ALA 43 OK 12 89 - 13 - 2.1/7724=4, 2822/3.6=2...(5) HG3 ARG 85 + H ALA 43 OK 10 98 - 10 - 4.1/958=1, 5.0/1596=1 HG2 PRO 30 - H ALA 43 lone 6 76 - 8 - 2822/3.6=2, 2830/4.6=1 HB ILE 34 - H ALA 43 lone 6 97 - 6 - HG LEU 51 - H ALA 43 lone 5 100 - 5 - 2822/3.6=1 HB2 LEU 59 - H ALA 43 lone 4 96 - 4 - HG2 ARG 53 - H ALA 43 lone 4 68 - 6 - 5.0/1596=1 HB3 LYS 32 - H ALA 43 lone 4 100 - 4 - HD3 LYS 31 - H ALA 43 lone 2 92 - 2 - HD2 LYS 31 - H ALA 43 lone 2 92 - 2 - HD3 LYS 32 - H ALA 43 lone 1 68 - 2 - HD2 LYS 32 - H ALA 43 lone 1 68 - 2 - Peak 179 from nnoeabs.peaks (1.76, 7.50, 118.06 ppm; 4.24 A): 3 out of 16 assignments used, quality = 0.98: * HG2 GLN 42 + H ALA 43 OK 79 100 - 80 - 1.8/180=28, 3.0/5568=17...(12) HB3 LYS 46 + H ALA 43 OK 79 99 - 80 - 3.0/1595=12, 5570=9...(33) HD2 LYS 109 + H ALA 43 OK 43 100 - 44 - 3.0/4920=5, 4940=5...(16) HD3 LYS 109 - H ALA 43 OK 43 99 - 43 - 3.0/4920=5, 4940=5...(16) HB2 LEU 45 - H ALA 43 OK 40 99 - 41 - 6032/3.6=12, 4.0/1600=11...(10) HG3 ARG 71 - H ALA 43 OK 21 100 - 22 - 3.0/176=4, 2823/3.6=3...(8) HG2 ARG 71 - H ALA 43 OK 18 90 - 20 - 3.0/176=4, 6031/3.6=3...(8) HG3 PRO 30 - H ALA 43 OK 14 100 - 14 - 2823/3.6=2, 2831/4.6=2...(5) HG LEU 117 - H ALA 43 OK 11 100 - 10 - 2831/4.6=1, 2.1/177=1 HB VAL 66 - H ALA 43 OK 10 96 - 11 - 3665/4.6=2, 6804/3.0=1 HB2 ARG 53 - H ALA 43 poor 10 87 - 11 - 4.0/1596=3, 3129/1596=1 HB2 LEU 117 - H ALA 43 lone 9 93 - 9 - 5142/4.6=1 HB2 GLU 75 - H ALA 43 lone 7 90 - 8 - 3.0/1598=2, 2823/3.6=1 HB2 PRO 37 - H ALA 43 lone 4 65 - 5 - 3.9/1596=2 HB2 LEU 91 - H ALA 43 lone 4 71 - 5 - HB2 LYS 32 - H ALA 43 lone 3 65 - 4 - Peak 180 from nnoeabs.peaks (1.69, 7.50, 118.06 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.79: * HG3 GLN 42 + H ALA 43 OK 69 100 - 69 - 2824/3.6=16, 5571=14...(14) HB3 LEU 41 + H ALA 43 OK 33 60 - 56 - 4.2/175=15, 4.1/1596=11...(15) HB3 LEU 77 - H ALA 43 poor 7 68 - 10 - 4.3/175=3, 2824/3.6=2...(4) Peak 183 from nnoeabs.peaks (7.50, 7.95, 112.45 ppm; 3.27 A): 2 out of 3 assignments used, quality = 0.72: * H ALA 43 + H SER 44 OK 69 100 - 69 - 4.6=35, 2862/3.6=21...(13) H LYS 109 + H SER 44 OK 11 85 - 13 - 3.0/961=3, 2859/3.6=3...(5) H GLY 104 - H SER 44 lone 5 81 - 7 - 2862/3.6=1, 1451/1602=1 Peak 184 from nnoeabs.peaks (3.92, 7.95, 112.45 ppm; 4.07 A): 1 out of 13 assignments used, quality = 1.00: * HA ALA 43 + H SER 44 OK 100 100 - 100 - 3.6=100 HA ARG 85 - H SER 44 OK 17 97 - 17 - 6158=5, 4.8/963=3...(7) HD3 PRO 68 - H SER 44 OK 12 99 - 12 - 2863/3.6=2, 2.3/6821=1...(6) HD2 PRO 68 - H SER 44 OK 12 99 - 12 - 2863/3.6=2, 2.3/6821=1...(6) HA THR 23 - H SER 44 poor 10 93 - 11 - 6445/4.6=3, 2863/3.6=2 HB2 SER 112 - H SER 44 poor 10 63 - 16 - 3.9/1602=6, 3.0/961=4 HB3 SER 112 - H SER 44 poor 9 57 - 16 - 3.9/1602=6, 3.0/961=4 HA ILE 34 - H SER 44 lone 4 89 - 5 - 1605/4.6=1, 3.0/6823=1 HB THR 62 - H SER 44 lone 4 99 - 4 - HA2 GLY 25 - H SER 44 lone 2 93 - 2 - HA SER 74 - H SER 44 lone 1 63 - 2 - HA2 GLY 2 - H SER 44 lone 1 89 - 1 - HA3 GLY 2 - H SER 44 lone 1 89 - 1 - Peak 185 from nnoeabs.peaks (1.34, 7.95, 112.45 ppm; 3.13 A): 4 out of 9 assignments used, quality = 0.93: * QB ALA 43 + H SER 44 OK 80 100 - 80 - 3.6=68, 2.9/183=19...(7) HG2 LYS 46 + H SER 44 OK 36 100 - 36 - 3.9/1603=6, 5.1/6818=6...(15) HG3 LYS 46 + H SER 44 OK 36 100 - 36 - 3.9/1603=6, 5.1/6818=6...(15) QG2 THR 17 + H SER 44 OK 16 100 - 16 - 2.1/1604=3, 6340/4.0=2...(5) HB3 LEU 84 - H SER 44 lone 5 73 - 7 - 3.0/963=3 QG2 THR 23 - H SER 44 lone 3 89 - 4 - HG3 LYS 119 - H SER 44 lone 3 93 - 3 - HB3 LEU 59 - H SER 44 lone 2 96 - 2 - HG CYS 87 - H SER 44 lone 2 81 - 2 - Peak 186 from nnoeabs.peaks (7.95, 7.78, 117.28 ppm; 3.44 A): 2 out of 6 assignments used, quality = 0.82: * H SER 44 + H LEU 45 OK 71 100 - 71 - 4.6=42, 962/4.6=11...(12) H ASP 47 + H LEU 45 OK 39 73 - 53 - 1456=11, 4.6/1454=11...(15) H VAL 66 - H LEU 45 lone 5 93 - 5 - H ALA 89 - H LEU 45 lone 4 98 - 4 - H LEU 114 - H LEU 45 lone 4 73 - 5 - H ARG 92 - H LEU 45 lone 4 93 - 4 - Peak 187 from nnoeabs.peaks (4.07, 7.78, 117.28 ppm; 4.31 A): 1 out of 9 assignments used, quality = 1.00: * HA SER 44 + H LEU 45 OK 100 100 - 100 - 3.6=100 HA TYR 102 - H LEU 45 OK 18 81 - 22 - 6863/4.5=4, 7740/4.7=3...(7) HA LYS 109 - H LEU 45 OK 15 92 - 17 - 6863/4.5=3, 961/4.6=3...(4) HA SER 112 - H LEU 45 OK 11 98 - 12 - 6225/4.6=4, 2874/4.6=1...(4) HA LEU 55 - H LEU 45 lone 10 97 - 10 - 6863/4.5=2, 961/4.6=1 HD3 PRO 37 - H LEU 45 poor 9 73 - 13 - 2870/4.6=3, 2874/4.6=3...(5) HA LEU 24 - H LEU 45 poor 9 60 - 15 - 4.0/970=4, ~1575=4...(5) HA LYS 31 - H LEU 45 lone 7 92 - 8 - HA VAL 120 - H LEU 45 lone 6 92 - 7 - 6279/5934=1, 6277/5933=1 Peak 188 from nnoeabs.peaks (3.46, 7.78, 117.28 ppm; 4.26 A): 3 out of 4 assignments used, quality = 0.90: * HB2 SER 44 + H LEU 45 OK 85 100 - 85 - 4.6=79, 962/4.6=18...(5) HD3 PRO 70 + H LEU 45 OK 20 100 - 20 - 2867/3.6=5, 2875/4.6=4...(6) HA VAL 18 + H LEU 45 OK 12 76 - 15 - 3.2/6837=2, 6359/4.7=2...(6) HD2 PRO 37 - H LEU 45 poor 7 65 - 11 - 2867/3.6=4, 2875/4.6=2...(4) Peak 189 from nnoeabs.peaks (3.50, 7.78, 117.28 ppm; 4.13 A): 4 out of 5 assignments used, quality = 0.87: * HB3 SER 44 + H LEU 45 OK 80 100 - 80 - 4.6=72, 4.0/1453=17...(6) HA VAL 18 + H LEU 45 OK 14 87 - 17 - 2868/3.6=3, 6359/4.7=2...(5) HA LEU 84 + H LEU 45 OK 13 100 - 13 - 963/4.6=3, 2868/3.6=3...(4) HB2 PHE 83 + H LEU 45 OK 10 85 - 12 - 1.8/1607=4, 963/4.6=2...(4) HB2 PHE 96 - H LEU 45 lone 4 87 - 4 - Peak 190 from nnoeabs.peaks (7.78, 6.90, 121.36 ppm; 3.12 A): 3 out of 4 assignments used, quality = 0.81: * H LEU 45 + H LYS 46 OK 66 100 - 66 - 4.5=33, 1608/2.9=8...(18) H GLY 48 + H LYS 46 OK 26 89 - 29 - 207/4.6=9, 6854/2.9=4...(9) H ILE 124 + H LYS 46 OK 24 100 - 24 - 2877/3.6=3, 6854/2.9=3...(8) HD21 ASN 106 - H LYS 46 lone 3 73 - 4 - Peak 191 from nnoeabs.peaks (4.59, 6.90, 121.36 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 45 + H LYS 46 OK 100 100 - 100 - 3.6=100 HA ASP 47 - H LYS 46 OK 42 93 - 45 - 3.0/197=24, 3.6/190=8...(7) HA TRP 20 - H LYS 46 OK 20 100 - 20 - 2892/4.3=4, 2885/4.3=4...(7) HA GLU 69 - H LYS 46 OK 18 92 - 20 - 3009/4.6=5, 965/4.5=3...(6) Peak 192 from nnoeabs.peaks (1.75, 6.90, 121.36 ppm; 3.15 A): 2 out of 16 assignments used, quality = 0.92: HB3 LYS 46 + H LYS 46 OK 76 100 - 76 - 4.0=48, 1.8/2929=12...(20) * HB2 LEU 45 + H LYS 46 OK 67 100 - 67 - 4.3=41, 4.0/1454=12...(13) HD2 LYS 109 - H LYS 46 OK 16 98 - 16 - 2922/2.9=2, 2932/4.0=2...(7) HD3 LYS 109 - H LYS 46 OK 15 96 - 16 - 2922/2.9=2, 2932/4.0=2...(6) HG2 GLN 42 - H LYS 46 OK 15 99 - 15 - 2939=2, 2922/2.9=2...(4) HG3 ARG 71 - H LYS 46 OK 10 100 - 10 - 2893/4.3=2, 2879/3.6=1 HG2 ARG 71 - H LYS 46 lone 10 97 - 10 - 2893/4.3=2, 2879/3.6=1 HG LEU 117 - H LYS 46 lone 7 98 - 8 - 2.1/7999=2 HB2 ARG 53 - H LYS 46 lone 7 96 - 7 - HG3 PRO 30 - H LYS 46 lone 7 97 - 7 - HB2 LEU 117 - H LYS 46 lone 5 83 - 7 - 3.1/7999=2 HB3 ARG 71 - H LYS 46 lone 5 71 - 7 - 1.8/194=1 HB2 GLU 75 - H LYS 46 lone 4 78 - 5 - HB2 LEU 91 - H LYS 46 lone 4 85 - 5 - HB VAL 66 - H LYS 46 lone 3 99 - 3 - HB2 LYS 31 - H LYS 46 lone 2 60 - 4 - Peak 193 from nnoeabs.peaks (1.45, 6.90, 121.36 ppm; 3.90 A): 2 out of 15 assignments used, quality = 0.98: * HB3 LEU 45 + H LYS 46 OK 91 100 - 91 - 4.3=78, 4.0/1454=18...(14) HD2 LYS 46 + H LYS 46 OK 80 99 - 81 - 5.7=32, 3.5/2939=12...(21) HB3 LEU 101 - H LYS 46 OK 39 97 - 40 - 3.1/7721=14, ~6859=4...(12) HD3 LYS 65 - H LYS 46 OK 35 99 - 35 - 2.9/6858=5, 2.9/6858=5...(17) HD2 LYS 65 - H LYS 46 OK 35 99 - 35 - 2.9/6858=5, 2.9/6858=5...(17) HG2 LYS 119 - H LYS 46 OK 27 97 - 27 - 2925/2.9=3, 1.8/976=3...(13) HG LEU 24 - H LYS 46 OK 21 100 - 21 - 2.1/196=5, 2880/3.6=2...(8) QB ALA 14 - H LYS 46 OK 12 92 - 13 - 6306/5.1=2, 6306/5.1=2...(4) HB3 GLU 75 - H LYS 46 lone 9 100 - 9 - 2887/4.3=1, 2880/3.6=1 HG3 LYS 31 - H LYS 46 lone 8 95 - 8 - HG3 ARG 57 - H LYS 46 lone 6 89 - 7 - HB3 LEU 91 - H LYS 46 lone 6 81 - 7 - HB2 LEU 93 - H LYS 46 lone 4 92 - 5 - QB ALA 89 - H LYS 46 lone 4 97 - 4 - QB ALA 98 - H LYS 46 lone 3 65 - 5 - Peak 194 from nnoeabs.peaks (1.97, 6.90, 121.36 ppm; 3.08 A): 7 out of 19 assignments used, quality = 0.90: HB2 LYS 46 + H LYS 46 OK 50 68 - 73 - 4.0=45, 1.8/2939=12...(21) * HG LEU 45 + H LYS 46 OK 37 100 - 37 - 2.1/5582=9, 2.1/195=7...(8) HG LEU 114 + H LYS 46 OK 27 99 - 27 - 2.1/7949=8, 3.0/7951=4...(7) HB2 LEU 41 + H LYS 46 OK 24 97 - 25 - 3.0/972=4, 2785/2.9=4...(10) HB ILE 124 + H LYS 46 OK 18 97 - 19 - 4.0/190=3, 5341/4.5=3...(8) HB3 GLN 103 + H LYS 46 OK 18 97 - 19 - 3.0/4747=3, 3.0/4755=3...(7) HG2 PRO 68 + H LYS 46 OK 10 99 - 10 - 2.3/6862=2, 2.3/6862=2 HB3 PRO 68 - H LYS 46 poor 10 97 - 10 - 3.0/6862=2, 3.0/6862=2 HB2 ARG 71 - H LYS 46 lone 9 100 - 9 - 2888/4.3=1, 2895/4.3=1 HB2 MET 11 - H LYS 46 lone 7 93 - 7 - 2929=1, 2930/2.9=1 HB3 LYS 119 - H LYS 46 lone 6 63 - 9 - 2.9/976=1, 2.9/977=1 HB3 PRO 30 - H LYS 46 lone 4 73 - 5 - HB2 LEU 55 - H LYS 46 lone 4 60 - 6 - 3.0/6863=1 HB3 GLU 69 - H LYS 46 lone 3 63 - 5 - 3.0/191=1 HG2 PRO 60 - H LYS 46 lone 2 81 - 2 - HB2 ARG 85 - H LYS 46 lone 2 73 - 2 - HB3 ARG 85 - H LYS 46 lone 2 73 - 2 - HB3 GLU 94 - H LYS 46 lone 2 87 - 2 - HB2 GLU 94 - H LYS 46 lone 1 68 - 2 - Peak 195 from nnoeabs.peaks (0.55, 6.90, 121.36 ppm; 4.53 A): 4 out of 4 assignments used, quality = 0.90: * QD2 LEU 45 + H LYS 46 OK 74 100 - 74 - 2.1/5582=21, 4.7/1454=20...(16) QG1 VAL 50 + H LYS 46 OK 32 96 - 34 - 2882/3.6=7, 2896/4.3=6...(10) HG12 ILE 34 + H LYS 46 OK 31 100 - 31 - 2882/3.6=7, 2889/4.3=7...(8) QD2 LEU 77 + H LYS 46 OK 21 87 - 25 - 7338=5, 2882/3.6=3...(9) Peak 196 from nnoeabs.peaks (0.65, 6.90, 121.36 ppm; 4.62 A): 5 out of 5 assignments used, quality = 0.92: * QD1 LEU 45 + H LYS 46 OK 74 100 - 74 - 5582=28, 4.7/1454=21...(14) QD1 LEU 21 + H LYS 46 OK 37 98 - 38 - 2.1/6396=11, 2883/3.6=5...(9) QD2 LEU 24 + H LYS 46 OK 32 87 - 37 - 2883/3.6=6, 2897/4.3=6...(11) QG2 VAL 26 + H LYS 46 OK 15 83 - 18 - 2883/3.6=3, 2897/4.3=3...(6) QD1 LEU 51 + H LYS 46 OK 14 76 - 19 - 2890/4.3=4, 2897/4.3=4...(5) Peak 197 from nnoeabs.peaks (6.90, 7.92, 110.25 ppm; 3.51 A): 4 out of 4 assignments used, quality = 0.82: * H LYS 46 + H ASP 47 OK 71 100 - 71 - 4.6=43, 4.0/5584=10...(14) HZ3 TRP 20 + H ASP 47 OK 16 100 - 16 - 2919/3.6=4, 2939/4.4=3...(5) HE22 GLN 103 + H ASP 47 OK 15 100 - 15 - 2919/3.6=4, 2939/4.4=3...(5) QE TYR 102 + H ASP 47 OK 12 63 - 20 - 8577/4.4=4, 4759/4.9=4...(5) Peak 198 from nnoeabs.peaks (3.64, 7.92, 110.25 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 46 + H ASP 47 OK 100 100 - 100 - 3.6=100 HA LEU 41 - H ASP 47 OK 29 99 - 29 - 6023=5, 2930/4.4=4...(9) HD2 PRO 70 - H ASP 47 OK 23 68 - 33 - 7265/3.0=6, 3.8/3009=6...(7) HA VAL 115 - H ASP 47 OK 14 83 - 17 - 3.2/6870=4, 2930/4.4=2...(6) HA ILE 80 - H ASP 47 OK 13 100 - 13 - 972/4.6=3, 2930/4.4=2 HA LEU 111 - H ASP 47 lone 2 57 - 4 - Peak 199 from nnoeabs.peaks (2.00, 7.92, 110.25 ppm; 3.95 A): 3 out of 14 assignments used, quality = 0.93: * HB2 LYS 46 + H ASP 47 OK 88 100 - 88 - 4.4=72, 1.8/5585=20...(10) HG LEU 45 + H ASP 47 OK 27 68 - 40 - 3.0/200=8, 5.2/1456=6...(12) HB2 LEU 41 + H ASP 47 OK 20 92 - 22 - 2785/3.6=5, 3.0/198=5...(5) HB ILE 124 - H ASP 47 OK 17 92 - 19 - 5341/4.4=4, 4.0/1456=3...(9) HB3 GLN 103 - H ASP 47 OK 13 92 - 14 - 2921/3.6=3, 4.6/197=3...(6) HB3 PRO 68 - H ASP 47 OK 12 92 - 14 - 3.9/6894=7, 2921/3.6=1 HB2 MET 11 - H ASP 47 OK 12 96 - 12 - 5584=3, 2930/3.6=2...(5) HG2 PRO 60 - H ASP 47 OK 11 100 - 11 - 2.3/983=3, 3471/4.0=3, ~3011=2 HG LEU 114 - H ASP 47 poor 10 87 - 11 - 973/4.6=2, 2921/3.6=2...(4) HG2 PRO 68 - H ASP 47 lone 7 87 - 8 - 2921/3.6=1, 2941/4.4=1 HB2 LEU 55 - H ASP 47 lone 6 100 - 6 - 2921/3.6=1, 3.1/6870=1 HB2 ARG 71 - H ASP 47 lone 4 73 - 6 - HB3 ARG 53 - H ASP 47 lone 3 71 - 4 - HB2 GLU 94 - H ASP 47 lone 2 100 - 2 - Peak 200 from nnoeabs.peaks (1.75, 7.92, 110.25 ppm; 3.55 A): 3 out of 16 assignments used, quality = 0.88: * HB3 LYS 46 + H ASP 47 OK 75 100 - 75 - 4.4=52, 1.8/5584=15...(9) HB2 LEU 45 + H ASP 47 OK 44 100 - 44 - 4.3/197=12, 4.0/1456=7...(12) HG2 GLN 42 + H ASP 47 OK 12 99 - 13 - 5585=2, 3.0/6870=2...(5) HD2 LYS 109 - H ASP 47 poor 10 97 - 10 - 2922/3.6=2, 2932/4.4=2...(4) HD3 LYS 109 - H ASP 47 poor 9 93 - 10 - 2922/3.6=2, 2932/4.4=2...(4) HG3 ARG 71 - H ASP 47 lone 5 100 - 5 - HG2 ARG 71 - H ASP 47 lone 5 99 - 5 - HB2 ARG 53 - H ASP 47 lone 4 97 - 4 - 3132/4.4=1 HG LEU 117 - H ASP 47 lone 4 97 - 4 - 2.1/6870=1 HG3 PRO 30 - H ASP 47 lone 3 96 - 3 - HB2 LEU 91 - H ASP 47 lone 3 89 - 3 - HB2 LEU 117 - H ASP 47 lone 3 78 - 3 - HB VAL 66 - H ASP 47 lone 2 100 - 2 - HB3 ARG 71 - H ASP 47 lone 2 76 - 3 - HB2 GLU 75 - H ASP 47 lone 2 73 - 3 - HB2 LYS 31 - H ASP 47 lone 2 65 - 2 - Peak 201 from nnoeabs.peaks (1.33, 7.92, 110.25 ppm; 4.06 A): 2 out of 9 assignments used, quality = 0.97: * HG2 LYS 46 + H ASP 47 OK 82 100 - 82 - 4.9=56, 2.9/5584=17...(8) HG3 LYS 46 + H ASP 47 OK 82 100 - 82 - 4.9=56, 2.9/5584=17...(8) QB ALA 43 - H ASP 47 OK 42 100 - 43 - 6814/4.6=9, 6809/3.6=6...(10) QG2 THR 17 - H ASP 47 OK 18 100 - 18 - 6345/4.6=6, 6338/4.4=3...(5) HG3 LYS 119 - H ASP 47 OK 13 98 - 14 - 2923/3.6=3, 1.8/203=2...(6) QG2 THR 23 - H ASP 47 lone 8 96 - 8 - 8199/3.0=2, 975/4.6=1, ~5987=1 HB3 LEU 59 - H ASP 47 lone 5 89 - 5 - 4.8/983=2 HB3 LEU 84 - H ASP 47 lone 2 85 - 3 - HG CYS 87 - H ASP 47 lone 2 90 - 2 - Peak 202 from nnoeabs.peaks (1.33, 7.92, 110.25 ppm; 4.06 A): 2 out of 9 assignments used, quality = 0.97: HG2 LYS 46 + H ASP 47 OK 82 100 - 82 - 4.9=56, 2.9/5584=17...(8) * HG3 LYS 46 + H ASP 47 OK 82 100 - 82 - 4.9=56, 2.9/5584=17...(8) QB ALA 43 - H ASP 47 OK 42 100 - 43 - 6814/4.6=9, 6809/3.6=6...(10) QG2 THR 17 - H ASP 47 OK 18 100 - 18 - 6345/4.6=6, 6338/4.4=3...(5) HG3 LYS 119 - H ASP 47 OK 13 98 - 14 - 2923/3.6=3, 1.8/203=2...(6) QG2 THR 23 - H ASP 47 lone 8 96 - 8 - 8199/3.0=2, 975/4.6=1, ~5987=1 HB3 LEU 59 - H ASP 47 lone 5 89 - 5 - 4.8/983=2 HB3 LEU 84 - H ASP 47 lone 2 85 - 3 - HG CYS 87 - H ASP 47 lone 2 90 - 2 - Peak 203 from nnoeabs.peaks (1.46, 7.92, 110.25 ppm; 4.86 A): 3 out of 16 assignments used, quality = 0.93: * HD2 LYS 46 + H ASP 47 OK 72 100 - 72 - 3.5/5584=21, 3.5/5585=20...(7) HB3 LEU 45 + H ASP 47 OK 67 99 - 68 - 4.3/197=22, 4.0/1456=13...(15) HG2 LYS 119 + H ASP 47 OK 23 100 - 23 - 5225/4.9=4, 5225/4.9=4...(7) HD3 LYS 65 - H ASP 47 OK 20 92 - 22 - 2925/3.6=4, 2935/4.4=3...(8) HD2 LYS 65 - H ASP 47 OK 20 92 - 22 - 2925/3.6=4, 2935/4.4=3...(8) HG2 LYS 109 - H ASP 47 OK 15 78 - 20 - 1.8/204=4, 2925/3.6=3...(7) QB ALA 14 - H ASP 47 OK 15 99 - 15 - 6306/4.9=4, 6306/4.9=4...(5) HG LEU 24 - H ASP 47 OK 12 99 - 12 - 193/4.6=2, 3.0/204=2...(5) HB3 LEU 101 - H ASP 47 OK 11 85 - 13 - 2925/3.6=3, 193/4.6=3...(4) HB3 GLU 75 - H ASP 47 lone 7 99 - 7 - HG3 LYS 31 - H ASP 47 lone 7 100 - 7 - HG3 ARG 57 - H ASP 47 lone 4 98 - 4 - HB2 LEU 93 - H ASP 47 lone 4 99 - 4 - HB3 LEU 91 - H ASP 47 lone 3 60 - 5 - HB3 LEU 58 - H ASP 47 lone 3 60 - 5 - QB ALA 89 - H ASP 47 lone 2 87 - 3 - Peak 204 from nnoeabs.peaks (1.53, 7.92, 110.25 ppm; 5.25 A): 7 out of 9 assignments used, quality = 0.93: * HD3 LYS 46 + H ASP 47 OK 75 100 - 75 - 3.5/5584=23, 3.5/5585=22...(8) HB3 LYS 65 + H ASP 47 OK 24 90 - 26 - 2926/3.6=6, 2936/4.4=5...(8) HB2 LYS 65 + H ASP 47 OK 24 90 - 26 - 2926/3.6=6, 2936/4.4=5...(8) HG3 LYS 109 + H ASP 47 OK 22 81 - 27 - 2926/3.6=5, 2936/4.4=4...(9) HG12 ILE 124 + H ASP 47 OK 19 73 - 26 - 5355/4.4=5, 4.9/1456=4...(9) HB3 LEU 114 + H ASP 47 OK 17 63 - 26 - 7951/4.6=6, 7943/4.9=4...(7) HB2 LEU 24 + H ASP 47 OK 11 78 - 13 - 2946/4.4=2, 2936/4.4=2...(7) HG2 ARG 92 - H ASP 47 lone 4 87 - 4 - HG3 ARG 92 - H ASP 47 lone 4 83 - 4 - Peak 207 from nnoeabs.peaks (7.92, 7.77, 103.67 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.81: * H ASP 47 + H GLY 48 OK 77 100 - 77 - 4.4=56, 984/4.2=19...(9) H SER 44 + H GLY 48 OK 19 73 - 27 - 1453=6, 3.6/6815=3...(10) Peak 208 from nnoeabs.peaks (4.58, 7.77, 103.67 ppm; 4.34 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 47 + H GLY 48 OK 100 100 - 100 - 3.6=100 HA LEU 45 - H GLY 48 OK 42 93 - 45 - 2877=9, 3.6/190=7...(12) HA GLU 69 - H GLY 48 OK 39 100 - 39 - 5592=8, 3.0/1457=8...(10) HA TRP 20 - H GLY 48 OK 11 90 - 13 - 3.0/1457=2, ~53=1...(4) HB THR 121 - H GLY 48 poor 10 85 - 12 - 3.0/8180=3, 6264/4.2=3...(4) HA ASN 99 - H GLY 48 lone 6 76 - 8 - 3.0/6876=1, 3.6/1457=1 Peak 209 from nnoeabs.peaks (3.54, 7.77, 103.67 ppm; 4.06 A): 3 out of 6 assignments used, quality = 0.93: * HB2 ASP 47 + H GLY 48 OK 91 100 - 91 - 4.2=88, 4.0/207=21, ~7246=2 HA LEU 51 + H GLY 48 OK 20 85 - 24 - 2.9/8278=5, 4.0/6881=5...(7) HD2 PRO 60 + H GLY 48 OK 11 98 - 11 - 3019/4.2=4, 3011/3.6=3 HA ASN 118 - H GLY 48 lone 9 99 - 9 - 6263/3.6=3, 3019/4.2=2 HB2 PHE 96 - H GLY 48 lone 2 65 - 3 - 7428/6878=1 HB2 PHE 83 - H GLY 48 lone 2 68 - 3 - 7428/6878=1 Peak 211 from nnoeabs.peaks (7.77, 8.25, 122.68 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.88: * H GLY 48 + H VAL 49 OK 86 100 - 86 - 4.6=81, 4.4/6894=9...(7) H ILE 124 + H VAL 49 OK 12 95 - 13 - 3024/3.6=4, 3021/3.6=4...(4) H LEU 45 - H VAL 49 lone 9 89 - 10 - 3021/3.6=3, 3024/3.6=3 H LEU 91 - H VAL 49 lone 2 81 - 2 - Peak 212 from nnoeabs.peaks (3.58, 8.25, 122.68 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 48 + H VAL 49 OK 100 100 - 100 - 3.6=100 HA LEU 51 - H VAL 49 OK 24 78 - 30 - 2.9/1609=19, 3025/3.6=5...(5) HD2 PRO 70 - H VAL 49 OK 22 60 - 36 - 1.8/7277=7, 8495/4.0=6...(12) HA GLU 75 - H VAL 49 OK 16 100 - 16 - 2.9/6910=4, 8495/4.0=3...(5) HA2 GLY 39 - H VAL 49 OK 11 78 - 13 - 8495/4.0=3, ~6911=2...(4) HA LEU 111 - H VAL 49 lone 4 71 - 5 - Peak 213 from nnoeabs.peaks (4.25, 8.25, 122.68 ppm; 4.84 A): 2 out of 11 assignments used, quality = 1.00: * HA3 GLY 48 + H VAL 49 OK 100 100 - 100 - 3.6=100 HA CYS 52 + H VAL 49 OK 51 68 - 74 - ~1616=21, ~6041=19...(12) HA VAL 26 - H VAL 49 OK 20 65 - 31 - 3.0/990=7, ~3033=5...(9) HB THR 19 - H VAL 49 OK 17 100 - 17 - 3023/3.6=5, 987/4.6=4...(6) HA THR 17 - H VAL 49 lone 8 95 - 8 - 5966=1 HA GLU 94 - H VAL 49 lone 6 73 - 8 - 3.6/1609=3, ~6042=2 HA LEU 58 - H VAL 49 lone 5 99 - 5 - 987/4.6=2, 3023/3.6=1 HA ALA 89 - H VAL 49 lone 3 100 - 3 - HA GLU 64 - H VAL 49 lone 3 96 - 3 - HA ALA 122 - H VAL 49 lone 2 73 - 3 - 8095/4.6=1 HA GLN 103 - H VAL 49 lone 1 63 - 2 - Peak 214 from nnoeabs.peaks (8.25, 8.85, 119.41 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.91: * H VAL 49 + H VAL 50 OK 88 100 - 88 - 4.7=73, 4.0/5599=16...(6) H GLU 69 + H VAL 50 OK 28 97 - 29 - 3037/4.3=7, 3027/3.6=6...(7) H TRP 20 - H VAL 50 lone 4 68 - 5 - H ASP 100 - H VAL 50 lone 3 63 - 5 - 6918/4.0=1 Peak 215 from nnoeabs.peaks (3.26, 8.85, 119.41 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 49 + H VAL 50 OK 100 100 - 100 - 3.6=100 Peak 216 from nnoeabs.peaks (2.19, 8.85, 119.41 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.93: * HB VAL 49 + H VAL 50 OK 87 100 - 87 - 4.4=65, 2.1/5599=21...(9) HB VAL 26 + H VAL 50 OK 46 99 - 46 - 5598=8, ~8215=7...(11) HG2 PRO 37 - H VAL 50 OK 16 92 - 17 - 3029/3.6=3, 3039/4.3=2...(9) HG12 ILE 80 - H VAL 50 OK 14 73 - 20 - 1.8/217=4, 6915/3.0=3...(9) HB2 GLU 73 - H VAL 50 OK 12 100 - 12 - 6915/3.0=2, 8739/4.0=2...(6) HB3 PRO 37 - H VAL 50 poor 8 63 - 13 - 3033/3.6=2, 5598=2...(7) Peak 217 from nnoeabs.peaks (0.88, 8.85, 119.41 ppm; 3.86 A): 5 out of 8 assignments used, quality = 0.95: * QG1 VAL 49 + H VAL 50 OK 90 100 - 90 - 4.3=73, 8279/3.0=18...(9) HG13 ILE 80 + H VAL 50 OK 17 95 - 18 - 8346/4.0=3, 1.8/216=3...(8) QD1 LEU 117 + H VAL 50 OK 17 65 - 26 - 2.1/997=8, 6913/3.0=3...(11) QD2 LEU 126 + H VAL 50 OK 12 97 - 12 - 3030/3.6=3, 5422/4.3=2...(5) QD2 LEU 41 + H VAL 50 OK 12 99 - 12 - 3030/3.6=3, 6913/3.0=2...(5) QD1 LEU 126 - H VAL 50 lone 6 68 - 9 - 5416/4.3=2, 3030/3.6=2 QD2 LEU 59 - H VAL 50 lone 5 100 - 5 - QD1 ILE 124 - H VAL 50 lone 5 100 - 5 - 991/4.7=2 Peak 218 from nnoeabs.peaks (0.92, 8.85, 119.41 ppm; 3.81 A): 2 out of 11 assignments used, quality = 0.93: * QG2 VAL 49 + H VAL 50 OK 90 100 - 90 - 4.3=70, 2.1/5599=20...(13) QD1 LEU 117 + H VAL 50 OK 31 97 - 32 - 2.1/997=8, 3043/3.6=5...(11) QD1 LEU 55 - H VAL 50 OK 25 92 - 28 - ~7015=4, 2.1/995=4...(12) QD2 LEU 27 - H VAL 50 OK 21 100 - 21 - 6526/4.0=8, 6528/4.0=7...(4) QD1 LEU 27 - H VAL 50 OK 14 99 - 14 - 6531/4.0=5, 6922/4.0=3 QD1 ILE 63 - H VAL 50 OK 13 81 - 17 - 7154/3.0=5, 5.0/1459=2...(7) QD1 LEU 41 - H VAL 50 OK 11 96 - 11 - 3031/3.6=3, 3041/4.3=2...(5) QD1 LEU 126 - H VAL 50 lone 9 96 - 10 - 5416/4.3=3, 3031/3.6=2 QG2 ILE 22 - H VAL 50 lone 8 100 - 8 - 3031/3.6=1 QG2 VAL 115 - H VAL 50 lone 5 100 - 5 - HB2 GLN 42 - H VAL 50 lone 5 100 - 5 - Peak 219 from nnoeabs.peaks (8.85, 8.42, 117.45 ppm; 4.19 A): 3 out of 3 assignments used, quality = 0.91: * H VAL 50 + H LEU 51 OK 87 100 - 87 - 4.6=74, 3062/4.3=21...(5) H ASN 108 + H LEU 51 OK 17 99 - 17 - 3047/3.6=5, 3062/4.3=4...(4) H ALA 14 + H LEU 51 OK 14 100 - 14 - 3047/3.6=4, 3062/4.3=3...(4) Peak 220 from nnoeabs.peaks (3.39, 8.42, 117.45 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 50 + H LEU 51 OK 100 100 - 100 - 3.6=100 HA LEU 21 - H LEU 51 OK 35 99 - 35 - 3063/4.3=8, 1614/4.6=7...(7) HA2 GLY 86 - H LEU 51 OK 23 85 - 27 - 3.0/1613=6, 1614/4.6=4...(10) Peak 221 from nnoeabs.peaks (1.88, 8.42, 117.45 ppm; 4.16 A): 5 out of 15 assignments used, quality = 0.94: * HB VAL 50 + H LEU 51 OK 89 100 - 89 - 4.5=79, 2.1/222=20...(6) HG LEU 84 + H LEU 51 OK 16 100 - 16 - 2.1/1003=4, 4258/4.8=3...(6) HG LEU 55 + H LEU 51 OK 14 100 - 14 - 8297/4.3=4, 3049/3.6=4...(4) HB2 LYS 119 + H LEU 51 OK 12 100 - 12 - 8032/4.3=3, 4.0/1460=2...(4) HB2 LEU 84 + H LEU 51 OK 12 87 - 14 - 3.1/1003=4, 4244/4.8=2...(5) HB2 ARG 81 - H LEU 51 poor 8 76 - 11 - 8536/3.9=2, 4.0/1484=2 HB3 LYS 31 - H LEU 51 lone 6 100 - 6 - 3049/3.6=1 HB3 GLU 28 - H LEU 51 lone 6 92 - 6 - 3064/4.3=2, 3049/3.6=1 HG3 PRO 68 - H LEU 51 lone 6 92 - 6 - 5693/1609=1 HB2 GLU 28 - H LEU 51 lone 5 85 - 6 - 3064/4.3=1, 3049/3.6=1 HB2 LEU 58 - H LEU 51 lone 5 95 - 5 - HB3 GLU 73 - H LEU 51 lone 4 68 - 6 - 3049/3.6=1 HB3 LYS 109 - H LEU 51 lone 4 85 - 5 - 2.9/7837=2 HB ILE 22 - H LEU 51 lone 3 73 - 4 - HB2 ARG 92 - H LEU 51 lone 2 98 - 2 - Peak 222 from nnoeabs.peaks (0.57, 8.42, 117.45 ppm; 3.60 A): 4 out of 4 assignments used, quality = 0.91: * QG1 VAL 50 + H LEU 51 OK 75 100 - 75 - 4.3=59, 4.0/219=13...(7) QD2 LEU 45 + H LEU 51 OK 39 96 - 41 - 5603=7, 8426/2.9=6...(11) HG12 ILE 34 + H LEU 51 OK 26 90 - 29 - 2.1/1003=5, 8426/2.9=5...(11) QD2 LEU 77 + H LEU 51 OK 17 99 - 17 - 3050/3.6=3, 8426/2.9=3...(7) Peak 223 from nnoeabs.peaks (1.13, 8.42, 117.45 ppm; 4.35 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 50 + H LEU 51 OK 100 100 - 100 - 4.3=100 HB3 LEU 54 + H LEU 51 OK 51 81 - 63 - 6054/2.9=14, ~8424=12...(15) QD2 LEU 117 - H LEU 51 OK 29 100 - 29 - 3051/3.6=6, 997/4.6=5...(7) QG2 THR 62 - H LEU 51 OK 17 68 - 24 - 7112/3.6=5, 5662=4...(7) QG2 VAL 120 - H LEU 51 OK 14 96 - 14 - 3051/3.6=2, 3056/4.5=2...(6) Peak 224 from nnoeabs.peaks (8.42, 7.57, 116.46 ppm; 3.87 A): 2 out of 5 assignments used, quality = 0.84: * H LEU 51 + H CYS 52 OK 79 100 - 79 - 4.6=58, 3.9/227=19...(8) H ILE 63 + H CYS 52 OK 24 92 - 26 - 4.0/6944=7, 5.0/7129=5...(6) H THR 95 - H CYS 52 poor 10 76 - 13 - 4.6/1461=2, 3067/3.6=2...(5) H GLU 82 - H CYS 52 poor 8 73 - 11 - 3067/3.6=2, 3074/4.6=2...(6) H GLN 16 - H CYS 52 lone 4 65 - 6 - Peak 225 from nnoeabs.peaks (3.56, 7.57, 116.46 ppm; 4.28 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 51 + H CYS 52 OK 100 100 - 100 - 3.6=100 HA ASN 118 - H CYS 52 OK 19 97 - 20 - 3075/4.6=3, 3082/4.6=3...(8) HD2 PRO 60 - H CYS 52 OK 17 97 - 18 - 3075/4.6=4, 3082/4.6=4...(5) HA2 GLY 48 - H CYS 52 OK 14 78 - 18 - 999/4.6=3, 3082/4.6=3...(6) HA GLU 75 - H CYS 52 OK 11 71 - 15 - 2.9/1478=3, 5719=2...(4) HB2 ASP 47 - H CYS 52 lone 4 85 - 5 - Peak 226 from nnoeabs.peaks (1.42, 7.57, 116.46 ppm; 4.33 A): 1 out of 11 assignments used, quality = 0.93: * HB2 LEU 51 + H CYS 52 OK 93 100 - 93 - 4.6=82, 1.8/227=35...(7) HB2 LEU 27 - H CYS 52 OK 18 76 - 23 - 3069/3.6=3, 3083/4.6=3...(10) HB VAL 110 - H CYS 52 OK 14 68 - 20 - 2.1/229=6, 3.0/6212=3...(6) HB3 LEU 101 - H CYS 52 OK 11 85 - 13 - 3083/4.6=3, 3069/3.6=3...(4) HB3 LEU 91 - H CYS 52 lone 10 98 - 10 - ~6061=2, 3.1/6944=2, 3069/3.6=1 HG LEU 59 - H CYS 52 poor 9 87 - 11 - 3069/3.6=3, 3083/4.6=2...(4) QB ALA 98 - H CYS 52 lone 9 100 - 9 - 1000/4.6=2, 3069/3.6=2 QB ALA 89 - H CYS 52 lone 6 83 - 7 - QB ALA 122 - H CYS 52 lone 5 99 - 5 - 3069/3.6=1 HD2 LYS 65 - H CYS 52 lone 2 76 - 3 - HD3 LYS 65 - H CYS 52 lone 2 76 - 3 - Peak 227 from nnoeabs.peaks (0.45, 7.57, 116.46 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LEU 51 + H CYS 52 OK 99 100 - 99 - 4.6=98, 1.8/226=22...(7) Peak 228 from nnoeabs.peaks (1.63, 7.57, 116.46 ppm; 5.17 A): 4 out of 15 assignments used, quality = 0.93: * HG LEU 51 + H CYS 52 OK 77 100 - 77 - 3.0/227=39, 3.0/226=21...(7) HG2 ARG 53 + H CYS 52 OK 48 73 - 65 - 5.0/1461=19, ~6061=8...(21) HG LEU 27 + H CYS 52 OK 25 87 - 29 - 3.0/226=4, 2.1/6945=4...(11) HB3 LEU 41 + H CYS 52 OK 22 78 - 29 - 4.1/1461=6, 2791/4.6=4...(11) HB ILE 34 - H CYS 52 OK 22 95 - 23 - 3.2/229=5, 3071/3.6=4...(6) HG LEU 101 - H CYS 52 OK 21 92 - 22 - 3078/4.6=4, 3085/4.6=3...(6) HB2 LEU 59 - H CYS 52 OK 18 97 - 19 - 3071/3.6=3, 4.8/225=3...(6) HG3 ARG 85 - H CYS 52 OK 17 97 - 17 - 3091/4.6=4, 5.0/1461=4...(5) HB3 GLN 42 - H CYS 52 OK 12 100 - 12 - 3071/3.6=2, 3078/4.6=1...(4) HG2 PRO 30 - H CYS 52 OK 11 81 - 14 - 3078/4.6=2, 3085/4.6=2...(5) HD3 LYS 31 - H CYS 52 lone 7 95 - 7 - ~6061=1 HD2 LYS 31 - H CYS 52 lone 7 95 - 7 - ~6061=1 HB3 LYS 32 - H CYS 52 lone 6 100 - 6 - HD2 LYS 32 - H CYS 52 lone 3 73 - 5 - HD3 LYS 32 - H CYS 52 lone 3 73 - 5 - Peak 229 from nnoeabs.peaks (0.16, 7.57, 116.46 ppm; 5.08 A): 4 out of 4 assignments used, quality = 0.93: * QD2 LEU 51 + H CYS 52 OK 84 100 - 84 - 3.1/227=37, 3072/3.6=24...(8) QG1 VAL 110 + H CYS 52 OK 36 83 - 44 - 7865=8, 3072/3.6=8...(9) QD1 ILE 34 + H CYS 52 OK 22 78 - 29 - 3072/3.6=7, 3086/4.6=7...(6) QD2 LEU 84 + H CYS 52 OK 19 83 - 22 - 1003/4.6=4, 3072/3.6=4...(6) Peak 230 from nnoeabs.peaks (0.62, 7.57, 116.46 ppm; 4.79 A): 3 out of 4 assignments used, quality = 0.95: * QD1 LEU 51 + H CYS 52 OK 77 100 - 77 - 3.1/227=34, 5610=19...(10) QG1 VAL 26 + H CYS 52 OK 53 97 - 55 - 8235/4.6=10, 3073/3.6=7...(17) QG2 VAL 26 + H CYS 52 OK 53 100 - 53 - 3073/3.6=8, 1004/4.6=7...(17) QD1 LEU 45 - H CYS 52 OK 17 76 - 23 - 3087/4.6=5, 3080/4.6=5...(5) Peak 231 from nnoeabs.peaks (7.57, 8.54, 120.08 ppm; 3.60 A): 4 out of 6 assignments used, quality = 0.85: * H CYS 52 + H ARG 53 OK 74 100 - 74 - 4.6=48, 1007/4.4=15...(11) H ARG 57 + H ARG 53 OK 21 78 - 27 - 6070/3.0=6, 1624/4.7=3...(11) H CYS 76 + H ARG 53 OK 14 99 - 14 - 3117/4.4=2, 6063/3.6=2...(5) H SER 113 + H ARG 53 OK 12 99 - 12 - 6063/3.6=1, 3117/4.4=1...(5) H LYS 119 - H ARG 53 lone 6 71 - 9 - 1624/4.7=1 HE3 TRP 20 - H ARG 53 lone 4 78 - 5 - 6063/3.6=1 Peak 232 from nnoeabs.peaks (4.22, 8.54, 120.08 ppm; 4.30 A): 2 out of 11 assignments used, quality = 1.00: * HA CYS 52 + H ARG 53 OK 100 100 - 100 - 3.6=100 HA VAL 26 + H ARG 53 OK 56 100 - 56 - 3.2/6963=14, 3.2/6963=9...(15) HA VAL 66 - H ARG 53 OK 43 99 - 44 - 3.2/7202=12, 3114/4.4=7...(15) HA ILE 22 - H ARG 53 OK 24 99 - 24 - 4.9/1620=6, 1006/4.6=2...(8) HA LEU 126 - H ARG 53 OK 19 95 - 20 - 3.0/1013=2, 3.0/1013=2...(10) HA SER 13 - H ARG 53 OK 18 99 - 18 - 8690/6.3=2, 8691/4.0=2...(6) HA THR 17 - H ARG 53 poor 10 95 - 10 - 6343/4.6=4 HA3 GLY 48 - H ARG 53 poor 7 68 - 11 - 6891/6963=1, 1006/4.6=1 HA ALA 89 - H ARG 53 lone 2 81 - 3 - HB THR 19 - H ARG 53 lone 2 65 - 3 - HA3 GLY 61 - H ARG 53 lone 1 63 - 2 - Peak 233 from nnoeabs.peaks (2.45, 8.54, 120.08 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.96: * HB2 CYS 52 + H ARG 53 OK 96 100 - 96 - 4.4=92, 1007/4.6=20...(10) HB3 CYS 87 - H ARG 53 OK 21 90 - 23 - 3111/3.6=4, 3.6/426=4...(8) HG3 MET 11 - H ARG 53 lone 6 85 - 7 - 3111/3.6=3, 3119/4.4=2 Peak 234 from nnoeabs.peaks (3.12, 8.54, 120.08 ppm; 3.88 A): 2 out of 7 assignments used, quality = 0.95: * HB3 CYS 52 + H ARG 53 OK 86 100 - 86 - 4.4=69, 1.8/233=25...(12) HD3 ARG 53 + H ARG 53 OK 63 81 - 79 - 6.3=23, 1.8/1015=14...(20) HB2 PHE 107 - H ARG 53 OK 32 100 - 32 - 4.0/1462=7, 4827/4.7=5...(11) HD3 ARG 57 - H ARG 53 OK 24 99 - 24 - 3112/3.6=3, 1008/4.6=2...(10) HB3 CYS 76 - H ARG 53 OK 13 100 - 13 - 4.0/231=3, 3986/4.6=2...(4) HD3 ARG 81 - H ARG 53 OK 10 93 - 11 - 1.8/1015=2, 3112/3.6=1, ~3127=1 HB3 ASP 100 - H ARG 53 lone 6 100 - 6 - Peak 235 from nnoeabs.peaks (8.54, 8.94, 121.12 ppm; 3.59 A): 5 out of 5 assignments used, quality = 0.86: * H ARG 53 + H LEU 54 OK 72 100 - 72 - 4.7=46, 4.6/1617=9...(13) H LEU 41 + H LEU 54 OK 21 100 - 21 - 3121/3.6=4, 3129/4.4=3...(5) H GLY 86 + H LEU 54 OK 16 90 - 18 - 3.0/1626=3, 3121/3.6=3...(7) H GLU 94 + H LEU 54 OK 13 100 - 13 - 3121/3.6=2, 3129/4.4=2...(4) H GLU 38 + H LEU 54 OK 13 76 - 17 - 3.0/1018=4, 3.9/8389=2...(7) Peak 236 from nnoeabs.peaks (3.89, 8.94, 121.12 ppm; 4.46 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 53 + H LEU 54 OK 100 100 - 100 - 3.6=100 HB3 ASN 79 - H LEU 54 OK 19 100 - 19 - 3.5/1463=6, ~5621=3...(6) HB2 SER 13 - H LEU 54 OK 11 89 - 12 - 1.8/1018=2, 3.0/1623=2...(5) HB3 SER 112 - H LEU 54 OK 11 100 - 11 - 4.5/1624=2, 1628/4.6=2...(5) HB2 SER 112 - H LEU 54 OK 11 100 - 11 - 4.5/1624=2, 1628/4.6=2...(5) HB THR 95 - H LEU 54 lone 8 100 - 8 - 3130/4.4=2, 1010/4.7=2 HD2 PRO 68 - H LEU 54 lone 7 71 - 10 - 1628/4.6=2, 3130/4.4=1 HA THR 33 - H LEU 54 poor 7 65 - 10 - 2.9/1463=4, ~5621=2 HB THR 62 - H LEU 54 lone 6 65 - 9 - 1010/4.7=2, 7107/4.4=2...(4) HD3 PRO 68 - H LEU 54 lone 6 65 - 9 - 1628/4.6=2, 1635/1634=1 HB THR 33 - H LEU 54 lone 5 68 - 7 - 4.0/1463=3 HA ILE 34 - H LEU 54 lone 4 90 - 4 - HA3 GLY 2 - H LEU 54 lone 3 90 - 3 - HA2 GLY 2 - H LEU 54 lone 3 90 - 3 - Peak 237 from nnoeabs.peaks (1.74, 8.94, 121.12 ppm; 4.17 A): 2 out of 15 assignments used, quality = 0.96: * HB2 ARG 53 + H LEU 54 OK 94 100 - 94 - 4.4=86, 4.0/1462=21...(11) HB3 LEU 55 + H LEU 54 OK 35 73 - 47 - 4.0/243=22, 4.2/1634=14...(9) HB VAL 66 - H LEU 54 OK 23 99 - 23 - 2.1/1023=7, 1011/4.7=3...(7) HG LEU 117 - H LEU 54 OK 20 81 - 25 - 2.1/1020=8, ~3180=4...(7) HB2 LEU 45 - H LEU 54 OK 12 96 - 12 - 3.1/8237=4, 3.1/6996=1...(4) HG2 ARG 71 - H LEU 54 lone 9 100 - 9 - 3123/3.6=3, 3139/4.4=2 HB2 LEU 91 - H LEU 54 lone 9 99 - 9 - 7584/3.0=1, 1011/4.7=1 HG3 PRO 30 - H LEU 54 poor 8 78 - 11 - 2.3/1018=2, 1.8/239=1 HB2 LYS 31 - H LEU 54 lone 8 89 - 9 - 1027/4.6=2, 3123/3.6=1 HG3 ARG 71 - H LEU 54 lone 7 92 - 8 - 3123/3.6=2, 3139/4.4=2 HB3 LYS 46 - H LEU 54 lone 7 97 - 7 - 3123/3.6=1, 3139/4.4=1 HB3 ARG 71 - H LEU 54 lone 6 95 - 7 - 3123/3.6=2, 3139/4.4=1 HG2 GLN 42 - H LEU 54 lone 5 87 - 6 - 3123/3.6=1 HD2 LYS 109 - H LEU 54 lone 3 81 - 4 - 6.2/1742=2 HD3 LYS 109 - H LEU 54 lone 3 73 - 4 - 6.2/1742=2 Peak 238 from nnoeabs.peaks (2.02, 8.94, 121.12 ppm; 3.98 A): 3 out of 9 assignments used, quality = 0.95: * HB3 ARG 53 + H LEU 54 OK 88 100 - 88 - 4.4=74, 4.0/1462=19...(10) HB2 GLU 56 + H LEU 54 OK 36 85 - 42 - 3.7/1634=13, 5616=7...(12) HB2 LEU 55 + H LEU 54 OK 34 78 - 44 - 4.0/243=20, 4.2/1634=12...(8) HG3 PRO 60 - H LEU 54 OK 21 71 - 30 - 2.3/1625=7, 2.3/1019=6...(9) HG2 PRO 60 - H LEU 54 OK 17 57 - 30 - 2.3/1625=7, 2.3/1019=6...(10) HG3 PRO 70 - H LEU 54 OK 10 83 - 12 - 7272/4.6=2, 1.8/1019=2...(4) HG3 PRO 37 - H LEU 54 OK 10 60 - 17 - 2.3/8389=3, 1.8/8389=3...(6) HB2 GLU 94 - H LEU 54 lone 7 71 - 9 - 4.0/235=2, 3124/3.6=1...(4) HB2 LYS 46 - H LEU 54 lone 4 71 - 6 - 3132/4.4=1, 3124/3.6=1 Peak 239 from nnoeabs.peaks (1.61, 8.94, 121.12 ppm; 5.38 A): 4 out of 17 assignments used, quality = 0.94: * HG2 ARG 53 + H LEU 54 OK 81 100 - 81 - 5.0/1462=25, 1.8/5618=23...(11) HG12 ILE 63 + H LEU 54 OK 36 99 - 37 - 3125/3.6=7, 3133/4.4=6...(10) HG LEU 51 + H LEU 54 OK 36 73 - 49 - 3.7/6051=29, 2.1/6996=10...(11) HG LEU 101 + H LEU 54 OK 25 98 - 26 - 5617=6, 3148/4.4=3...(7) HG2 PRO 30 - H LEU 54 OK 18 100 - 18 - 2.3/1018=2, 1.8/237=2...(9) HB2 LEU 59 - H LEU 54 OK 16 93 - 17 - 4.8/1625=7, ~7086=1, ~7083=1 HB3 LEU 126 - H LEU 54 OK 12 99 - 12 - 3133/4.4=2, 3125/3.6=2...(5) HB2 LEU 126 - H LEU 54 OK 12 99 - 12 - 3133/4.4=2, 3125/3.6=2...(5) HD3 LYS 31 - H LEU 54 OK 11 97 - 12 - 3133/4.4=2, 3125/3.6=2...(5) HD2 LYS 31 - H LEU 54 OK 11 97 - 12 - 3133/4.4=2, 3125/3.6=2...(5) HG LEU 126 - H LEU 54 OK 11 92 - 12 - 1013/4.7=2, 3133/4.4=1...(6) HD3 LYS 32 - H LEU 54 OK 10 100 - 10 - 2.9/1021=2, ~3181=1 HD2 LYS 32 - H LEU 54 OK 10 100 - 10 - 2.9/1021=2, ~3181=1 HD3 LYS 119 - H LEU 54 lone 9 95 - 9 - 6.0/1627=3 HD2 LYS 119 - H LEU 54 lone 9 93 - 9 - 6.0/1627=3 HB3 LYS 32 - H LEU 54 poor 8 60 - 14 - 4.7/1463=4, 3.0/1021=2, ~3181=1 HB3 GLN 42 - H LEU 54 lone 6 68 - 8 - 3125/3.6=1, 1013/4.7=1 Peak 240 from nnoeabs.peaks (1.83, 8.94, 121.12 ppm; 4.70 A): 5 out of 12 assignments used, quality = 0.94: * HG3 ARG 53 + H LEU 54 OK 75 100 - 75 - 5618=23, 5.0/1462=20...(10) HB3 ARG 57 + H LEU 54 OK 34 92 - 37 - 3.7/1627=7, 6076/3.0=6...(12) HG13 ILE 63 + H LEU 54 OK 33 99 - 33 - 3126/3.6=7, 3134/4.4=6...(7) HB2 PRO 60 + H LEU 54 OK 31 73 - 42 - 3.0/1625=8, 1.8/1019=8...(13) HG LEU 41 + H LEU 54 OK 25 100 - 25 - 2798/4.7=6, 3126/3.6=4...(8) HG2 GLU 73 - H LEU 54 OK 22 97 - 23 - 4.1/1018=4, 2.9/8389=3...(10) HG3 GLU 73 - H LEU 54 OK 22 96 - 23 - 4.1/1018=4, 2.9/8389=3...(10) HG2 GLU 75 - H LEU 54 OK 19 93 - 21 - 1.8/1023=6, ~3183=3...(5) HB3 ARG 92 - H LEU 54 OK 15 81 - 18 - 5618=4, 3134/4.4=3...(5) HB3 GLN 105 - H LEU 54 lone 8 98 - 8 - 4.1/1509=3 HG12 ILE 22 - H LEU 54 lone 6 83 - 7 - 3.9/1623=2 HB2 GLU 69 - H LEU 54 lone 5 99 - 5 - Peak 243 from nnoeabs.peaks (8.94, 8.12, 118.27 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.82: * H LEU 54 + H LEU 55 OK 78 100 - 78 - 4.6=44, 4.0/246=12...(16) H PHE 107 + H LEU 55 OK 21 96 - 22 - 3177/3.6=6, 3191/4.6=4...(6) Peak 244 from nnoeabs.peaks (3.75, 8.12, 118.27 ppm; 4.16 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 54 + H LEU 55 OK 100 100 - 100 - 3.6=100 HA GLU 38 - H LEU 55 OK 30 97 - 32 - 5548=4, 3192/4.6=3...(11) HA CYS 87 - H LEU 55 OK 23 97 - 23 - 7533/4.6=5, 7534/4.6=5...(7) HA GLU 73 - H LEU 55 OK 14 100 - 14 - 3192/4.6=3, 3185/4.6=3...(4) HA3 GLY 86 - H LEU 55 OK 11 68 - 17 - 7014/4.6=6, 3.0/1629=3...(4) HB3 SER 13 - H LEU 55 poor 10 89 - 11 - 3.0/1630=2, 1.8/1628=1 HD2 PRO 30 - H LEU 55 lone 8 85 - 9 - 3192/4.6=1, 3185/4.6=1 HB3 SER 90 - H LEU 55 lone 7 93 - 7 - 7014/4.6=3 HB3 SER 35 - H LEU 55 lone 4 97 - 4 - HB2 SER 72 - H LEU 55 lone 1 60 - 2 - Peak 245 from nnoeabs.peaks (2.33, 8.12, 118.27 ppm; 3.58 A): 5 out of 9 assignments used, quality = 0.92: * HB2 LEU 54 + H LEU 55 OK 81 100 - 81 - 4.6=46, 1.8/246=21...(12) HB3 PRO 60 + H LEU 55 OK 26 97 - 27 - 3.0/1631=4, 3179/3.6=4...(8) HG3 GLU 56 + H LEU 55 OK 21 92 - 23 - 4.9/250=10, 3179/3.6=3...(6) HG2 PRO 70 + H LEU 55 OK 17 87 - 20 - 2.3/7278=4, 1.8/7272=4...(5) HB3 ASN 118 + H LEU 55 OK 13 78 - 16 - 3.0/1631=4, 4.6/1632=2...(5) HB3 GLU 82 - H LEU 55 lone 9 98 - 9 - 3179/3.6=1, 3193/4.6=1 HB2 GLU 82 - H LEU 55 lone 9 98 - 9 - 3179/3.6=1, 3193/4.6=1 HG2 GLN 16 - H LEU 55 lone 3 68 - 4 - HB VAL 18 - H LEU 55 lone 2 65 - 4 - Peak 246 from nnoeabs.peaks (1.15, 8.12, 118.27 ppm; 3.80 A): 3 out of 3 assignments used, quality = 0.91: * HB3 LEU 54 + H LEU 55 OK 85 100 - 85 - 4.6=55, 4.0/243=18...(13) QD2 LEU 117 + H LEU 55 OK 26 81 - 32 - 3180/3.6=5, 3187/4.6=5...(11) QG2 VAL 50 + H LEU 55 OK 22 81 - 28 - 3180/3.6=5, 1020/4.6=5...(9) Peak 247 from nnoeabs.peaks (1.28, 8.12, 118.27 ppm; 4.04 A): 4 out of 7 assignments used, quality = 0.89: * HG LEU 54 + H LEU 55 OK 76 100 - 76 - 2.1/248=23, 3.0/246=20...(10) QG2 ILE 80 + H LEU 55 OK 28 92 - 31 - 3181/3.6=4, 3195/4.6=4...(10) QD1 ILE 80 + H LEU 55 OK 27 93 - 29 - 3181/3.6=5, 7412/3.0=4...(9) QG2 THR 116 + H LEU 55 OK 18 95 - 18 - 7010/3.0=4, 3181/3.6=2...(6) HG3 LYS 32 - H LEU 55 poor 9 78 - 11 - 7010/3.0=1, 5.0/1445=1...(6) QG2 THR 19 - H LEU 55 poor 8 71 - 12 - 7010/3.0=3, 6375/4.6=2...(5) HB3 LEU 84 - H LEU 55 lone 3 60 - 5 - Peak 248 from nnoeabs.peaks (0.21, 8.12, 118.27 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.93: * QD1 LEU 54 + H LEU 55 OK 88 100 - 88 - 3182/3.6=23, 5625=23...(15) QD2 LEU 21 + H LEU 55 OK 40 85 - 47 - 3182/3.6=11, 3196/4.6=8...(14) Peak 249 from nnoeabs.peaks (0.71, 8.12, 118.27 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.95: * QD2 LEU 54 + H LEU 55 OK 79 100 - 79 - 2.1/248=23, 3.1/246=20...(12) QG1 VAL 66 + H LEU 55 OK 45 97 - 47 - 7200=10, 2.1/7196=6...(16) QD1 LEU 114 + H LEU 55 OK 34 89 - 38 - 5626=6, 7007/3.0=5...(14) QD1 LEU 77 + H LEU 55 OK 32 87 - 36 - 4028/4.0=5, 3.1/1027=5...(12) HG3 GLU 75 - H LEU 55 OK 19 100 - 19 - 3183/3.6=3, 3197/4.6=3...(6) QD2 LEU 111 - H LEU 55 lone 6 68 - 9 - 7007/3.0=2, ~7011=1 Peak 250 from nnoeabs.peaks (8.12, 7.62, 116.71 ppm; 3.78 A): 4 out of 4 assignments used, quality = 0.87: * H LEU 55 + H GLU 56 OK 80 100 - 80 - 4.6=54, 3226/4.2=11...(13) HD22 ASN 79 + H GLU 56 OK 22 93 - 23 - 3219/3.6=4, 3226/4.2=3...(8) H THR 33 + H GLU 56 OK 11 83 - 13 - 3219/3.6=2, 3233/4.2=1...(5) H GLY 39 + H GLU 56 OK 10 71 - 14 - 3219/3.6=2, 3226/4.2=1...(4) Peak 251 from nnoeabs.peaks (4.06, 7.62, 116.71 ppm; 4.49 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 55 + H GLU 56 OK 100 100 - 100 - 3.6=100 HD3 PRO 37 - H GLU 56 OK 35 95 - 37 - 2.3/1033=4, 3.0/1034=4...(18) HA SER 112 - H GLU 56 OK 25 100 - 25 - 5886/4.6=4, 7919/4.8=3...(10) HA VAL 120 - H GLU 56 OK 23 68 - 34 - 3.2/8069=6, ~8300=4...(15) HA LYS 31 - H GLU 56 OK 18 68 - 26 - 3.0/253=5, 2397/4.2=3...(10) HA LYS 109 - H GLU 56 OK 18 100 - 18 - 6210/4.6=4, 1025/4.6=2...(6) HA SER 44 - H GLU 56 lone 9 97 - 9 - 3227/4.2=1, 6827/4.8=1...(5) HA TYR 102 - H GLU 56 lone 7 97 - 7 - 7747/4.2=1 HA GLN 16 - H GLU 56 lone 6 73 - 8 - ~8302=2, 1938/4.9=1 Peak 252 from nnoeabs.peaks (2.00, 7.62, 116.71 ppm; 3.46 A): 5 out of 14 assignments used, quality = 0.93: * HB2 LEU 55 + H GLU 56 OK 70 100 - 70 - 4.2=58, 4.0/250=12...(7) HG2 PRO 60 + H GLU 56 OK 34 99 - 35 - 2.3/1036=6, 2.3/1034=5...(13) HB3 ARG 53 + H GLU 56 OK 32 78 - 41 - 3.0/6065=14, 4.4/1634=8...(12) HB3 PRO 68 + H GLU 56 OK 30 87 - 35 - 1.8/1035=4, 2.3/1032=4...(17) HG2 PRO 68 + H GLU 56 OK 28 81 - 35 - 2.3/1035=4, 1.8/254=4...(20) HB2 LEU 41 - H GLU 56 lone 8 87 - 10 - 5628=1, 3221/3.6=1, 3226/4.6=1 HG LEU 114 - H GLU 56 poor 8 81 - 10 - 2.1/256=2, 3221/3.6=2...(5) HB2 LYS 46 - H GLU 56 lone 6 100 - 6 - 3221/3.6=1 HB ILE 124 - H GLU 56 lone 5 87 - 6 - HB2 GLU 94 - H GLU 56 lone 4 100 - 4 - HB2 ARG 71 - H GLU 56 lone 3 65 - 4 - 1.8/253=1 HB2 MET 11 - H GLU 56 lone 1 92 - 2 - HB3 GLN 103 - H GLU 56 lone 1 87 - 2 - HG LEU 45 - H GLU 56 lone 1 60 - 2 - Peak 253 from nnoeabs.peaks (1.72, 7.62, 116.71 ppm; 4.25 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 55 + H GLU 56 OK 100 100 - 100 - 4.2=100 HB2 ARG 53 - H GLU 56 OK 44 73 - 59 - 3.0/6065=21, 4.4/1634=14...(20) HB2 LYS 31 - H GLU 56 OK 32 99 - 32 - 3222/3.6=6, 3229/4.2=5...(10) HB3 LEU 77 - H GLU 56 OK 28 99 - 29 - 3222/3.6=6, 5629=6...(7) HB2 LEU 91 - H GLU 56 OK 11 89 - 13 - 3.1/7030=2, 3222/3.6=2...(4) HB3 ARG 71 - H GLU 56 lone 9 97 - 9 - 3222/3.6=1, 3229/4.2=1 HG2 ARG 71 - H GLU 56 lone 4 68 - 6 - Peak 254 from nnoeabs.peaks (1.88, 7.62, 116.71 ppm; 4.19 A): 4 out of 15 assignments used, quality = 0.95: * HG LEU 55 + H GLU 56 OK 82 100 - 82 - 4.8=66, 4.7/250=15...(9) HG3 PRO 68 + H GLU 56 OK 47 93 - 50 - 2.3/1035=6, 1.8/252=5...(21) HB3 LYS 31 + H GLU 56 OK 30 100 - 31 - 1.8/253=5, 2417/4.2=5...(10) HB2 LYS 119 + H GLU 56 OK 29 100 - 29 - 5200/4.6=5, 5200=3...(13) HB2 LEU 58 - H GLU 56 OK 24 96 - 25 - 4.6/7081=9, 7057/3.6=5...(7) HB2 ARG 92 - H GLU 56 OK 21 99 - 21 - 4423/2.9=3, 4425/3.7=2...(10) HB2 ARG 81 - H GLU 56 OK 20 73 - 27 - 6114/2.9=5, 1.8/3267=4...(11) HB3 GLU 28 - H GLU 56 OK 16 93 - 17 - 3.0/1032=2, 2317/2.9=2...(6) HB2 GLU 28 - H GLU 56 OK 15 83 - 18 - 3.0/1032=2, 6564/4.8=2...(6) HB ILE 22 - H GLU 56 OK 13 71 - 18 - 2152/4.8=3, 2.1/255=3...(8) HB VAL 50 - H GLU 56 OK 10 100 - 10 - 3223/3.6=2, 3230/4.2=2...(6) HB3 LYS 109 - H GLU 56 poor 9 87 - 11 - 4901/3.6=2, 2.9/251=2 HG LEU 84 - H GLU 56 lone 8 100 - 8 - 2.1/7030=2 HB2 LEU 84 - H GLU 56 lone 5 85 - 6 - 3.1/7030=2 HB3 GLU 73 - H GLU 56 lone 2 65 - 4 - Peak 255 from nnoeabs.peaks (0.94, 7.62, 116.71 ppm; 4.20 A): 2 out of 12 assignments used, quality = 0.95: * QD1 LEU 55 + H GLU 56 OK 85 100 - 85 - 4.8=67, 4.6/250=15...(12) QD1 ILE 63 + H GLU 56 OK 69 99 - 69 - 2.1/7133=14, 2.1/7132=14...(19) QG2 VAL 115 - H GLU 56 OK 32 97 - 33 - 7974/3.6=6, 8168/4.2=5...(11) QG2 ILE 22 - H GLU 56 OK 24 97 - 25 - 2159/4.8=4, 3224/3.6=3...(9) QD1 LEU 117 - H GLU 56 OK 18 68 - 26 - 3.1/1035=3, 7029/2.9=3...(11) QG2 VAL 49 - H GLU 56 OK 17 92 - 19 - 7018=3, 3224/3.6=2...(7) QD2 LEU 27 - H GLU 56 OK 16 96 - 17 - 3224/3.6=3, 1029/4.6=2...(7) QD1 LEU 27 - H GLU 56 OK 16 98 - 16 - 3224/3.6=2, 1029/4.6=1...(7) QD1 LEU 41 - H GLU 56 OK 15 100 - 15 - 3224/3.6=2, 3.1/5628=2...(6) QG2 ILE 124 - H GLU 56 poor 8 76 - 11 - 2.1/252=1 QD1 LEU 126 - H GLU 56 lone 5 65 - 7 - HB2 GLN 42 - H GLU 56 lone 5 87 - 5 - Peak 256 from nnoeabs.peaks (0.85, 7.62, 116.71 ppm; 4.83 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 55 + H GLU 56 OK 100 100 - 100 - 4.8=100 QD1 LEU 59 - H GLU 56 OK 36 99 - 37 - 4.6/7081=12, 5632=5...(11) QD2 LEU 114 - H GLU 56 OK 30 100 - 30 - 3225/3.6=5, 1030/4.6=3...(10) QG1 VAL 115 - H GLU 56 OK 28 87 - 32 - 7970/3.6=6, 2.1/255=4...(10) HG13 ILE 22 - H GLU 56 OK 26 97 - 27 - 3232/4.2=4, 3225/3.6=4...(9) QD1 LEU 93 - H GLU 56 OK 19 85 - 22 - 2.1/7030=5, 3225/3.6=3...(8) HB2 ASN 118 - H GLU 56 OK 12 68 - 18 - 5912/4.6=3, 4.0/1521=3...(7) HG13 ILE 80 - H GLU 56 poor 8 81 - 10 - 1030/4.6=2, 3225/3.6=2 QD2 LEU 126 - H GLU 56 lone 7 73 - 10 - Peak 257 from nnoeabs.peaks (7.62, 7.59, 117.24 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: H ARG 57 + H ARG 57 OK 63 63 - 100 Reference assignment not found: H GLU 56 - H ARG 57 Peak 258 from nnoeabs.peaks (4.17, 7.59, 117.24 ppm; 3.95 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 56 + H ARG 57 OK 100 100 - 100 - 3.6=100 HA PRO 37 - H ARG 57 OK 16 68 - 23 - 3.6/1637=4, 2.3/260=4...(9) HB2 SER 113 - H ARG 57 OK 13 90 - 14 - 5048=4, 1.8/5052=3...(4) HA ARG 92 - H ARG 57 lone 8 89 - 9 - 4417/3.7=2, 3274/4.6=1 HA PRO 68 - H ARG 57 lone 8 87 - 9 - 3274/4.6=2, 2.3/261=2...(5) HA SER 78 - H ARG 57 lone 6 100 - 6 - 7449/3.7=1 HA GLU 28 - H ARG 57 lone 5 97 - 5 - HA PHE 83 - H ARG 57 lone 4 81 - 5 - HA ILE 124 - H ARG 57 lone 3 63 - 5 - HA ASN 108 - H ARG 57 lone 3 68 - 4 - HA3 GLY 61 - H ARG 57 lone 3 71 - 4 - 3274/4.6=2 Peak 259 from nnoeabs.peaks (2.04, 7.59, 117.24 ppm; 3.44 A): 7 out of 8 assignments used, quality = 0.93: * HB2 GLU 56 + H ARG 57 OK 62 100 - 62 - 4.6=41, 1.8/5635=10...(8) HG3 PRO 60 + H ARG 57 OK 31 99 - 31 - 2.3/1043=5, 2.3/262=4...(11) HB ILE 63 + H ARG 57 OK 29 73 - 40 - 2.1/7124=7, 3.2/7129=7...(16) HB3 ARG 81 + H ARG 57 OK 24 96 - 25 - 5634=4, 3.5/1044=3...(13) HG3 PRO 37 + H ARG 57 OK 23 97 - 24 - 2.3/1637=4, 2.3/260=3...(8) HB3 ARG 53 + H ARG 57 OK 21 85 - 25 - 3.0/6070=7, 5634=2...(10) HB3 GLU 38 + H ARG 57 OK 17 83 - 20 - 3.0/1639=5, 3299=3...(6) HG3 PRO 70 - H ARG 57 lone 10 100 - 10 - 3263/3.6=2, 2.3/8318=2 Peak 260 from nnoeabs.peaks (1.79, 7.59, 117.24 ppm; 3.26 A): 4 out of 13 assignments used, quality = 0.93: HB3 ARG 57 + H ARG 57 OK 69 83 - 84 - 3.7=66, 1.8/3299=13...(13) * HB3 GLU 56 + H ARG 57 OK 58 100 - 58 - 4.6=35, 1.8/259=9...(7) HB2 PRO 60 + H ARG 57 OK 29 97 - 30 - 3.0/1043=4, 2.3/259=4...(12) HG13 ILE 63 + H ARG 57 OK 26 63 - 42 - 2.1/7129=7, 3.2/7124=5...(20) HB2 PRO 37 - H ARG 57 OK 22 99 - 23 - 3.0/1637=3, 2.3/259=3...(7) HB2 LEU 117 - H ARG 57 OK 13 85 - 16 - 4.2/1466=4, 4.0/7044=3...(5) HB2 GLU 75 - H ARG 57 lone 7 89 - 8 - 3958/3.7=2, 1.8/1042=1 HB3 ARG 92 - H ARG 57 lone 7 93 - 8 - 4431/3.6=1 HG2 GLU 75 - H ARG 57 lone 6 81 - 7 - HB3 GLN 105 - H ARG 57 lone 4 68 - 6 - 1.8/1039=1 HB2 LYS 32 - H ARG 57 lone 4 99 - 4 - HD3 LYS 109 - H ARG 57 lone 2 65 - 4 - 5.2/6210=2 HG3 PRO 30 - H ARG 57 lone 2 60 - 4 - Peak 261 from nnoeabs.peaks (2.25, 7.59, 117.24 ppm; 5.02 A): 7 out of 13 assignments used, quality = 0.95: * HG2 GLU 56 + H ARG 57 OK 67 100 - 67 - 3279/4.6=18, 5636=17...(13) HB3 LEU 117 + H ARG 57 OK 32 95 - 34 - 4.2/1466=9, 4.0/7044=8...(9) HG3 GLU 38 + H ARG 57 OK 31 100 - 31 - 4.0/1639=8, 3.0/3299=5...(11) HG2 GLU 38 + H ARG 57 OK 31 99 - 31 - 4.0/1639=8, 3.0/3299=5...(11) HB2 PRO 70 + H ARG 57 OK 29 100 - 29 - 8318=6, 3265/3.6=6...(5) HB2 PRO 68 + H ARG 57 OK 20 96 - 21 - 3265/3.6=6, 3277/4.6=4...(6) HG3 GLU 15 + H ARG 57 OK 13 100 - 13 - 6321/5.1=2, 6322/4.6=2...(4) HG3 GLU 64 - H ARG 57 lone 9 98 - 10 - ~8508=1 HB2 CYS 87 - H ARG 57 poor 9 76 - 12 - 3.0/1639=3, 7519/4.6=2 HG3 GLU 28 - H ARG 57 lone 7 93 - 7 - 3265/3.6=2, 4.0/258=1 HG2 GLU 28 - H ARG 57 lone 7 90 - 7 - 3265/3.6=2, 4.0/258=1 HG2 GLU 94 - H ARG 57 lone 4 99 - 4 - HG3 GLU 94 - H ARG 57 lone 2 76 - 3 - Peak 262 from nnoeabs.peaks (2.31, 7.59, 117.24 ppm; 4.88 A): 4 out of 7 assignments used, quality = 0.96: * HG3 GLU 56 + H ARG 57 OK 69 100 - 69 - 5637=17, 3285/4.6=17...(12) HB3 PRO 60 + H ARG 57 OK 60 100 - 60 - 3266/3.6=11, 3.0/1043=10...(17) HB2 LEU 54 + H ARG 57 OK 51 92 - 56 - 3.1/7033=19, 3.0/1639=15...(13) HB VAL 120 + H ARG 57 OK 37 87 - 43 - 3.8/609=10, 2.1/8041=10...(9) HG2 GLN 16 - H ARG 57 OK 12 97 - 13 - 4.0/1637=1, 3266/3.6=1...(5) HB3 GLU 82 - H ARG 57 lone 7 73 - 10 - 3266/3.6=2, 7148/7129=1 HB2 GLU 82 - H ARG 57 lone 7 73 - 10 - 3266/3.6=2, 7148/7129=1 Peak 263 from nnoeabs.peaks (7.59, 7.72, 117.75 ppm; 3.42 A): 4 out of 6 assignments used, quality = 0.86: * H ARG 57 + H LEU 58 OK 62 100 - 63 - 4.6=40, 3.7/266=9...(11) H LYS 119 + H LEU 58 OK 51 100 - 51 - 603=15, 4.6/1794=5...(18) H GLU 56 + H LEU 58 OK 16 63 - 26 - 4.6/1466=8, 3.6/8639=6...(10) H SER 113 + H LEU 58 OK 12 92 - 13 - 3.6/8573=2, 3291/3.6=2...(6) H CYS 52 - H LEU 58 lone 6 78 - 8 - 3291/3.6=1, 3307/4.2=1 HD21 ASN 12 - H LEU 58 lone 3 76 - 4 - Peak 264 from nnoeabs.peaks (4.11, 7.72, 117.75 ppm; 4.11 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 57 + H LEU 58 OK 100 100 - 100 - 3.6=100 HA LEU 24 - H LEU 58 OK 27 90 - 30 - 4.0/6478=12, 2196/3.9=4...(9) HA ILE 63 - H LEU 58 OK 17 73 - 23 - 3.7/266=4, 1038/4.6=3...(7) HA3 GLY 25 - H LEU 58 OK 11 100 - 11 - 3308/4.2=3, 3300/4.2=2...(4) HA PRO 37 - H LEU 58 poor 8 60 - 13 - 3.6/8573=2, 2.3/266=2...(5) HA ALA 98 - H LEU 58 lone 5 76 - 7 - 5638=1 HA ASN 108 - H LEU 58 lone 5 60 - 8 - 3.6/1743=4, 6198=1 HB3 SER 78 - H LEU 58 lone 4 95 - 4 - HA ILE 124 - H LEU 58 lone 4 65 - 6 - 3.6/1528=1 HB3 SER 72 - H LEU 58 lone 2 71 - 3 - Peak 265 from nnoeabs.peaks (2.07, 7.72, 117.75 ppm; 3.71 A): 3 out of 15 assignments used, quality = 0.91: * HB2 ARG 57 + H LEU 58 OK 83 100 - 83 - 4.2=70, 1.8/266=17...(8) HG LEU 21 + H LEU 58 OK 31 97 - 32 - 2.1/7054=11, 2.1/7053=7...(12) HB ILE 63 + H LEU 58 OK 23 99 - 23 - 3.0/266=4, 3293/3.6=3...(8) HB3 GLU 38 - H LEU 58 OK 19 96 - 19 - 3.0/7069=4, 5639=4...(6) HB2 LEU 114 - H LEU 58 OK 17 97 - 17 - 3.1/7052=3, 3.0/6241=3...(5) HG2 GLU 64 - H LEU 58 OK 16 100 - 16 - 3.9/1046=3, 3.0/1049=2...(4) HB3 ARG 81 - H LEU 58 OK 11 83 - 13 - 3309/4.2=2, 3293/3.6=2...(6) HG3 PRO 37 - H LEU 58 poor 9 78 - 11 - 2.3/8573=2, 2.3/266=1...(5) HG3 PRO 60 - H LEU 58 poor 8 68 - 12 - 2.3/266=2, 7074/4.6=2...(5) HB2 GLN 105 - H LEU 58 lone 6 100 - 6 - 4773/4.2=2, 1.8/266=1 HB2 LEU 101 - H LEU 58 lone 6 63 - 9 - 3.1/1050=2 HB2 GLN 16 - H LEU 58 lone 4 99 - 4 - HB3 GLN 16 - H LEU 58 lone 4 99 - 4 - HG3 GLU 69 - H LEU 58 lone 3 85 - 4 - HB2 GLU 15 - H LEU 58 lone 3 92 - 3 - Peak 266 from nnoeabs.peaks (1.81, 7.72, 117.75 ppm; 3.57 A): 5 out of 14 assignments used, quality = 0.88: * HB3 ARG 57 + H LEU 58 OK 76 100 - 76 - 4.2=63, 1.8/265=12...(9) HG13 ILE 63 + H LEU 58 OK 21 99 - 22 - 7132/4.6=4, 3294/3.6=4...(7) HB3 GLU 56 + H LEU 58 OK 15 83 - 18 - 4.6/1466=8, 3.7/263=3...(4) HB3 ARG 92 + H LEU 58 OK 14 99 - 14 - 1.8/1047=3, 4432/3.9=2...(6) HB2 PRO 60 + H LEU 58 OK 11 98 - 11 - 3294/3.6=3, 3302/4.2=2...(4) HB2 PRO 37 - H LEU 58 poor 7 68 - 10 - 3.0/8573=2, 3294/3.6=1...(6) HG3 ARG 53 - H LEU 58 lone 6 92 - 6 - 1040/4.6=1, 3294/3.6=1 HG2 GLU 75 - H LEU 58 lone 5 100 - 5 - 3294/3.6=1 HB3 GLN 105 - H LEU 58 lone 5 99 - 5 - HG LEU 41 - H LEU 58 lone 4 83 - 5 - HB2 GLU 69 - H LEU 58 lone 4 81 - 4 - HG2 GLU 73 - H LEU 58 lone 3 68 - 5 - 4.1/7069=1 HG3 GLU 73 - H LEU 58 lone 3 65 - 5 - 4.1/7069=1 HB2 LYS 32 - H LEU 58 lone 1 68 - 2 - Peak 267 from nnoeabs.peaks (1.58, 7.72, 117.75 ppm; 4.34 A): 9 out of 10 assignments used, quality = 0.93: * HG2 ARG 57 + H LEU 58 OK 54 100 - 54 - 3.0/266=16, 3.0/265=13...(11) HD2 LYS 119 + H LEU 58 OK 27 90 - 30 - 6.0/263=6, 3.7/1047=5...(9) HD3 LYS 119 + H LEU 58 OK 27 89 - 30 - 6.0/263=6, 3.7/1047=5...(9) HG12 ILE 63 + H LEU 58 OK 24 78 - 30 - 1.8/266=6, 7133/4.6=5...(9) HG LEU 126 + H LEU 58 OK 22 92 - 23 - 2.1/5417=5, 2.1/5410=4...(8) HG2 ARG 81 + H LEU 58 OK 18 100 - 18 - 3303/4.2=4, 3295/3.6=4...(6) HG3 ARG 81 + H LEU 58 OK 18 100 - 18 - 3303/4.2=4, 3295/3.6=4...(6) HB2 LEU 126 + H LEU 58 OK 16 78 - 21 - 3.1/5417=4, 3.1/5410=4...(6) HB3 LEU 126 + H LEU 58 OK 16 76 - 20 - 3.1/5417=4, 3.1/5410=4...(6) HG12 ILE 124 - H LEU 58 lone 4 63 - 6 - Peak 268 from nnoeabs.peaks (1.47, 7.72, 117.75 ppm; 3.73 A): 4 out of 17 assignments used, quality = 0.95: HB3 LEU 58 + H LEU 58 OK 79 83 - 96 - 3.9=90, 1.8/1047=16...(15) * HG3 ARG 57 + H LEU 58 OK 46 100 - 46 - 3.0/266=13, 3.0/265=10...(7) HG2 LYS 119 + H LEU 58 OK 35 99 - 35 - 4.9/263=6, 2.9/1047=5...(13) HG LEU 24 + H LEU 58 OK 31 89 - 35 - 2.1/6478=13, 2217/3.9=5...(9) HG2 LYS 109 - H LEU 58 OK 29 95 - 30 - 3.7/8573=5, 2.9/1047=5...(10) HB2 LEU 93 - H LEU 58 OK 19 100 - 19 - 7610/4.8=3, ~8305=2...(6) HG3 LYS 31 - H LEU 58 OK 16 100 - 16 - 2.9/1047=2, 4.0/8573=2...(5) HG LEU 91 - H LEU 58 OK 13 78 - 17 - 2.1/4400=2, 2.1/4407=1...(7) HG LEU 93 - H LEU 58 OK 12 71 - 17 - 7601/4.8=2, 3357/3.9=2...(8) QB ALA 14 - H LEU 58 OK 11 100 - 11 - 6307/4.2=1, 6309/4.2=1 QB ALA 89 - H LEU 58 poor 9 65 - 14 - 2.1/5783=3, 5784=2...(4) HB3 LEU 45 - H LEU 58 poor 9 89 - 10 - 3.1/7053=2, 6840/4.8=1 HB3 GLU 75 - H LEU 58 poor 9 89 - 10 - 3964/4.2=2, 7315/4.2=2 HD2 LYS 46 - H LEU 58 lone 8 98 - 8 - HB3 LEU 101 - H LEU 58 poor 6 63 - 10 - 3.1/1050=2 HD2 LYS 65 - H LEU 58 lone 4 73 - 5 - HD3 LYS 65 - H LEU 58 lone 4 73 - 5 - Peak 271 from nnoeabs.peaks (7.72, 8.67, 119.71 ppm; 3.14 A): 4 out of 7 assignments used, quality = 0.77: * H LEU 58 + H LEU 59 OK 53 100 - 53 - 4.6=32, 3.9/5646=6...(9) H ASN 118 + H LEU 59 OK 35 93 - 38 - 596=8, 3.0/7072=5...(16) H LEU 126 + H LEU 59 OK 13 100 - 13 - 4.7/1058=2, 1425/4.6=1...(4) H SER 90 + H LEU 59 OK 13 100 - 13 - 437/3.6=2, 7567/7087=1...(4) H LEU 111 - H LEU 59 poor 9 76 - 11 - 3.8/1056=1, 3382/4.9=1 H LEU 91 - H LEU 59 poor 8 73 - 10 - 4.5/7590=2 HE21 GLN 103 - H LEU 59 lone 4 95 - 4 - Peak 272 from nnoeabs.peaks (4.25, 8.67, 119.71 ppm; 3.98 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 58 + H LEU 59 OK 100 100 - 100 - 3.6=100 HA GLU 64 - H LEU 59 OK 16 99 - 16 - 1046/4.6=3, 5645=3...(8) HA ALA 122 - H LEU 59 OK 13 87 - 15 - 3.0/7081=6, 2.1/1056=3...(5) HB THR 19 - H LEU 59 OK 13 100 - 13 - 3383/4.9=3, 3355/4.6=2...(6) HA ALA 89 - H LEU 59 OK 10 97 - 11 - 3.6/271=3, 5783/4.6=2...(4) HA GLU 94 - H LEU 59 OK 10 87 - 12 - 3355/4.6=2, 3383/4.9=2...(6) HA3 GLY 48 - H LEU 59 lone 8 99 - 8 - 3383/4.9=1, 3355/4.6=1 HA THR 17 - H LEU 59 lone 6 85 - 7 - HA GLN 103 - H LEU 59 lone 4 78 - 6 - 4722/4.6=1 Peak 273 from nnoeabs.peaks (1.87, 8.67, 119.71 ppm; 3.45 A): 5 out of 11 assignments used, quality = 0.92: * HB2 LEU 58 + H LEU 59 OK 67 100 - 67 - 4.6=41, 3.9/1467=9...(9) HB2 LYS 119 + H LEU 59 OK 41 95 - 44 - 5915=8, 1.8/275=5...(20) HG LEU 55 + H LEU 59 OK 30 96 - 31 - 4.8/7081=5, 4.3/6999=5...(11) HB3 LYS 31 + H LEU 59 OK 25 95 - 26 - 2.9/1055=3, 3.0/7071=3...(14) HB3 LYS 109 + H LEU 59 OK 23 99 - 24 - 1.8/275=4, 2.9/7071=3...(8) HG12 ILE 22 - H LEU 59 poor 10 76 - 13 - 1.8/1057=2, 8477/4.9=2...(6) HB2 ARG 92 - H LEU 59 lone 9 100 - 9 - 3.0/7070=1, 1047/4.6=1 HB3 GLU 28 - H LEU 59 lone 6 100 - 6 - 3.0/7070=1 HG3 PRO 68 - H LEU 59 lone 6 100 - 6 - HB VAL 50 - H LEU 59 lone 4 95 - 4 - HG LEU 84 - H LEU 59 lone 4 90 - 4 - Peak 274 from nnoeabs.peaks (1.49, 8.67, 119.71 ppm; 3.67 A): 6 out of 15 assignments used, quality = 0.91: * HB3 LEU 58 + H LEU 59 OK 72 100 - 72 - 4.6=50, 1.8/5646=13...(7) HG2 LYS 119 + H LEU 59 OK 23 65 - 36 - 2.9/5915=6, 2.9/275=5...(12) HG LEU 93 + H LEU 59 OK 23 100 - 23 - 2.1/1057=3, 3.0/1056=3...(10) HG2 LYS 109 + H LEU 59 OK 20 99 - 20 - 2.9/273=3, 2.9/275=3...(8) HG3 LYS 31 + H LEU 59 OK 18 73 - 25 - 1.8/1055=4, 2.9/273=3...(10) HB3 LEU 114 + H LEU 59 OK 18 95 - 19 - 3.1/7955=5, 3.0/6236=5...(5) HB2 LEU 93 - H LEU 59 OK 18 78 - 23 - 1.8/1056=4, 3.1/1057=3...(9) HG LEU 91 - H LEU 59 OK 17 100 - 17 - 2.1/7590=4, 7601/4.9=1...(5) HG2 ARG 85 - H LEU 59 OK 15 97 - 15 - 3.0/7073=3, 4305/4.8=2...(6) HG3 ARG 57 - H LEU 59 OK 14 83 - 16 - 3329/4.8=4, 5.1/7044=4...(5) HB2 LEU 24 - H LEU 59 OK 11 85 - 13 - 3357/4.6=2, 3385/4.9=2...(6) HG3 ARG 92 - H LEU 59 lone 6 81 - 7 - 3.9/7070=1, 3.0/273=1 HD2 LYS 46 - H LEU 59 lone 5 60 - 9 - 2.9/1055=2, 2.9/1055=2 HG2 ARG 92 - H LEU 59 lone 5 76 - 7 - 3.9/7070=1, 3.0/273=1 QB ALA 14 - H LEU 59 lone 3 78 - 4 - Peak 275 from nnoeabs.peaks (1.93, 8.67, 119.71 ppm; 3.76 A): 9 out of 19 assignments used, quality = 0.91: * HG LEU 58 + H LEU 59 OK 52 100 - 52 - 2.1/276=13, 2.1/276=13...(8) HB3 LYS 119 + H LEU 59 OK 42 97 - 43 - 1.8/5915=8, 5916=8...(18) HB2 LYS 109 + H LEU 59 OK 27 100 - 28 - 4893/4.6=4, 1.8/273=4...(9) HB ILE 80 + H LEU 59 OK 18 97 - 19 - 3.0/1058=3, 4074/4.6=2...(9) HB2 LEU 21 + H LEU 59 OK 12 99 - 12 - 1049/4.6=2, 3386/4.9=2...(4) HB3 PRO 30 + H LEU 59 OK 11 92 - 12 - 5.0/7071=2, 5916=2 HB ILE 22 + H LEU 59 OK 11 76 - 14 - 2.9/1057=2, 7077/3.7=2...(4) HB3 ARG 85 + H LEU 59 OK 10 92 - 11 - 3.9/7073=3, 3.0/274=2 HB2 ARG 85 + H LEU 59 OK 10 92 - 11 - 3.9/7073=3, 3.0/274=2 HB3 GLU 64 - H LEU 59 lone 10 100 - 10 - 3.0/272=2, 3553/3.6=2...(4) HB2 GLU 64 - H LEU 59 lone 10 100 - 10 - 3.0/272=2, 3553/3.6=2...(4) HB3 MET 11 - H LEU 59 lone 6 90 - 7 - 8597=2, 1.8/8596=1 HB3 GLU 94 - H LEU 59 lone 5 81 - 6 - 2.9/272=1, 4525/3.6=1 HB2 GLU 38 - H LEU 59 lone 5 98 - 5 - HB2 GLU 28 - H LEU 59 lone 4 63 - 6 - 3.0/7070=2, 1.8/273=1 HB2 ARG 81 - H LEU 59 lone 4 73 - 5 - HB2 LEU 84 - H LEU 59 lone 2 60 - 4 - HB3 GLU 69 - H LEU 59 lone 2 97 - 2 - HB3 GLU 73 - H LEU 59 lone 2 81 - 2 - Peak 276 from nnoeabs.peaks (0.99, 8.67, 119.71 ppm; 3.69 A): 4 out of 8 assignments used, quality = 0.94: * QD2 LEU 58 + H LEU 59 OK 71 100 - 72 - 4.9=44, 3.1/5646=10...(9) QD1 LEU 58 + H LEU 59 OK 69 99 - 70 - 4.9=44, 3.1/5646=10...(8) HB3 LEU 27 + H LEU 59 OK 23 95 - 24 - 1.8/1056=5, 3360/4.6=2...(10) QG1 VAL 18 + H LEU 59 OK 10 98 - 10 - 3376/3.6=1, 5649=1...(4) QD1 LEU 101 - H LEU 59 lone 9 99 - 9 - 1050/4.6=1 HG3 LYS 65 - H LEU 59 lone 3 95 - 3 - HG2 LYS 65 - H LEU 59 lone 3 95 - 3 - QG2 THR 95 - H LEU 59 lone 2 85 - 2 - Peak 277 from nnoeabs.peaks (1.00, 8.67, 119.71 ppm; 3.69 A): 4 out of 9 assignments used, quality = 0.95: QD2 LEU 58 + H LEU 59 OK 70 99 - 71 - 4.9=44, 3.1/5646=10...(9) * QD1 LEU 58 + H LEU 59 OK 70 100 - 70 - 4.9=44, 3.1/5646=10...(9) HB3 LEU 27 + H LEU 59 OK 25 100 - 25 - 1.8/1056=5, 3360/4.6=2...(10) QG1 VAL 120 + H LEU 59 OK 21 60 - 35 - 2.1/7087=10, 3.2/7071=5...(6) QG1 VAL 18 - H LEU 59 poor 9 89 - 10 - 3376/3.6=1, 5649=1...(4) QD1 LEU 101 - H LEU 59 lone 7 90 - 8 - 1050/4.6=1 HG2 LYS 65 - H LEU 59 lone 2 81 - 3 - HG3 LYS 65 - H LEU 59 lone 2 81 - 3 - QG2 THR 95 - H LEU 59 lone 1 65 - 2 - Peak 278 from nnoeabs.peaks (4.47, 10.09, 113.12 ppm; 3.11 A): 2 out of 6 assignments used, quality = 0.77: * HA PRO 60 + H GLY 61 OK 75 100 - 75 - 3.5=67, 2.3/280=11...(5) HA PRO 70 + H GLY 61 OK 11 90 - 12 - 3459/4.2=3, 3452/4.2=3...(6) HA SER 90 - H GLY 61 lone 6 100 - 6 - 3.0/1060=1, 7100/4.6=1 HA ARG 71 - H GLY 61 lone 5 90 - 5 - 3459/4.2=2, 3452/4.2=2 HA LEU 101 - H GLY 61 lone 1 73 - 1 - HA SER 113 - H GLY 61 lone 1 63 - 1 - Peak 279 from nnoeabs.peaks (1.80, 10.09, 113.12 ppm; 4.26 A): 2 out of 12 assignments used, quality = 1.00: * HB2 PRO 60 + H GLY 61 OK 100 100 - 100 - 4.2=100 HB3 GLU 56 + H GLY 61 OK 51 97 - 52 - 3.0/8301=27, 1.8/282=9...(12) HG13 ILE 63 - H GLY 61 OK 24 89 - 27 - 5.2/7121=17, 3.0/282=4...(7) HB2 PRO 37 - H GLY 61 OK 17 89 - 19 - 3460/4.2=5, 5654=4...(5) HB3 ARG 57 - H GLY 61 OK 12 98 - 12 - 3460/4.2=4, 3446/3.5=3...(4) HB3 ARG 92 - H GLY 61 lone 8 100 - 7 - 3.0/1061=1 HG3 ARG 53 - H GLY 61 lone 5 73 - 7 - 8430/8301=1, 1071/7121=1 HG2 GLU 75 - H GLY 61 lone 4 97 - 4 - HB2 GLU 75 - H GLY 61 lone 2 63 - 4 - HG LEU 41 - H GLY 61 lone 2 60 - 3 - HB3 GLN 105 - H GLY 61 lone 2 92 - 2 - HB2 LYS 32 - H GLY 61 lone 1 89 - 1 - Peak 280 from nnoeabs.peaks (2.32, 10.09, 113.12 ppm; 4.02 A): 2 out of 8 assignments used, quality = 0.97: * HB3 PRO 60 + H GLY 61 OK 95 100 - 95 - 4.2=91, 2.3/278=33...(5) HG3 GLU 56 + H GLY 61 OK 46 100 - 46 - 4.0/8301=19, 3.0/282=7...(10) HB2 LEU 54 - H GLY 61 lone 8 97 - 8 - 3454/4.2=3, 3447/3.5=3 HG2 PRO 70 - H GLY 61 poor 7 60 - 12 - 3.8/278=3, 1.8/282=3...(4) HB VAL 120 - H GLY 61 lone 7 78 - 9 - 5655=2, 7099/4.6=2, 3459/3.5=1 HB3 GLU 82 - H GLY 61 lone 4 83 - 5 - 7099/4.6=1 HB2 GLU 82 - H GLY 61 lone 4 83 - 5 - 7099/4.6=1 HG2 GLN 16 - H GLY 61 lone 4 92 - 4 - 1958/7121=1 Peak 282 from nnoeabs.peaks (2.05, 10.09, 113.12 ppm; 4.61 A): 5 out of 10 assignments used, quality = 0.91: HB2 GLU 56 + H GLY 61 OK 57 99 - 57 - 3.0/8301=31, 3.0/280=10...(12) * HG3 PRO 60 + H GLY 61 OK 50 100 - 50 - 3.8/278=29, 2.3/280=23...(4) HB ILE 63 + H GLY 61 OK 33 87 - 38 - 4.0/7121=27, 3.0/279=4...(7) HG3 PRO 37 + H GLY 61 OK 21 100 - 21 - 3473/3.5=6, 3463/4.2=6...(5) HG3 PRO 70 + H GLY 61 OK 19 100 - 19 - 3463/4.2=4, 3.8/278=4...(6) HB3 ARG 81 - H GLY 61 lone 10 99 - 10 - 5747/7121=2, 7098/4.6=2 HB2 ARG 57 - H GLY 61 poor 8 68 - 12 - 3463/4.2=3, 3302/4.2=3...(5) HB3 ARG 53 - H GLY 61 lone 6 71 - 8 - 3263/8301=2, 3272/4.2=1 HB3 GLU 38 - H GLY 61 lone 4 93 - 4 - HG2 GLU 64 - H GLY 61 lone 2 68 - 3 - 3505/7121=1 Peak 285 from nnoeabs.peaks (10.09, 8.33, 116.84 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.65: * H GLY 61 + H THR 62 OK 65 100 - 65 - 4.6=46, 3.5/7100=14...(6) Peak 286 from nnoeabs.peaks (3.79, 8.33, 116.84 ppm; 4.12 A): 1 out of 11 assignments used, quality = 1.00: * HA2 GLY 61 + H THR 62 OK 100 100 - 100 - 3.6=100 HB2 SER 90 - H THR 62 OK 28 100 - 28 - 7574/4.0=20, 3.0/7100=4...(4) HA2 GLY 88 - H THR 62 lone 7 89 - 8 - 7111/4.0=2, 3.0/429=2 HB2 SER 74 - H THR 62 lone 6 96 - 6 - HB3 SER 74 - H THR 62 lone 6 95 - 6 - HA3 GLY 88 - H THR 62 lone 6 81 - 7 - 7111/4.0=2, 3.0/429=2 HB2 SER 72 - H THR 62 lone 4 87 - 4 - 1.8/7281=1, 4.5/1476=1 HD2 PRO 30 - H THR 62 lone 3 63 - 4 - HB2 SER 29 - H THR 62 lone 2 85 - 3 - HB3 SER 29 - H THR 62 lone 2 83 - 3 - HA3 GLY 39 - H THR 62 lone 2 93 - 2 - Peak 287 from nnoeabs.peaks (4.19, 8.33, 116.84 ppm; 3.89 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 61 + H THR 62 OK 100 100 - 100 - 3.6=100 HA GLU 56 - H THR 62 OK 28 71 - 39 - 8299=13, 8301/4.6=11...(8) HA ILE 22 - H THR 62 OK 15 78 - 19 - 3.9/7094=3, 3.9/7097=3...(8) HA LEU 126 - H THR 62 lone 9 92 - 9 - 2.9/644=3, 3.0/7096=2...(4) HA PRO 68 - H THR 62 lone 6 99 - 6 - 3.6/1064=2, 3.6/1064=2 HA ARG 92 - H THR 62 lone 4 99 - 4 - 3482/3.6=1 HA VAL 26 - H THR 62 lone 4 65 - 6 - 3.6/6541=2, 5944/4.6=1 HA SER 13 - H THR 62 lone 2 78 - 3 - HA VAL 66 - H THR 62 lone 2 81 - 3 - HA CYS 52 - H THR 62 lone 2 63 - 3 - HA SER 78 - H THR 62 lone 1 68 - 2 - Peak 288 from nnoeabs.peaks (8.33, 8.44, 121.79 ppm; 3.39 A): 3 out of 5 assignments used, quality = 0.73: * H THR 62 + H ILE 63 OK 65 100 - 65 - 4.6=39, 1065/4.0=13...(9) H CYS 87 + H ILE 63 OK 14 76 - 18 - 7526/4.0=6, 3486/3.6=2...(6) H GLY 125 + H ILE 63 OK 11 100 - 11 - 3.6/1067=2, 4.4/1072=2...(6) H ILE 22 - H ILE 63 lone 6 68 - 8 - 3486/3.6=1, 4.0/1072=1...(4) H SER 74 - H ILE 63 lone 5 87 - 5 - Peak 289 from nnoeabs.peaks (3.99, 8.44, 121.79 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 62 + H ILE 63 OK 100 100 - 100 - 3.6=100 HA ARG 81 + H ILE 63 OK 53 100 - 53 - 5745=10, 2.9/1484=8...(16) HA LEU 117 - H ILE 63 OK 18 99 - 19 - 3495/4.0=5, 3491/4.4=4...(5) HA ALA 14 - H ILE 63 lone 6 65 - 10 - 3.6/1430=3, 6298/4.0=1 HA PHE 107 - H ILE 63 lone 5 96 - 5 - Peak 290 from nnoeabs.peaks (3.92, 8.44, 121.79 ppm; 3.78 A): 4 out of 14 assignments used, quality = 0.84: * HB THR 62 + H ILE 63 OK 77 100 - 77 - 4.4=63, 3.9/1469=16...(7) HA ARG 53 + H ILE 63 OK 14 65 - 21 - 3.0/1619=6, 3.9/1070=3...(8) HD2 PRO 68 + H ILE 63 OK 11 100 - 11 - 3488/3.6=2, 7152/5.0=2...(5) HD3 PRO 68 + H ILE 63 OK 10 100 - 11 - 3488/3.6=2, 7152/5.0=2...(5) HA ARG 85 - H ILE 63 lone 8 89 - 9 - 3496/4.0=2, 1064/4.6=2...(4) HA2 GLY 25 - H ILE 63 lone 4 83 - 5 - 7152/5.0=1 HA ILE 34 - H ILE 63 lone 3 97 - 3 - HA THR 23 - H ILE 63 lone 3 83 - 4 - HA ALA 43 - H ILE 63 lone 3 99 - 3 - HB THR 95 - H ILE 63 lone 2 71 - 3 - HB2 SER 112 - H ILE 63 lone 2 78 - 2 - HB3 SER 112 - H ILE 63 lone 2 73 - 2 - HA3 GLY 2 - H ILE 63 lone 1 97 - 1 - HA2 GLY 2 - H ILE 63 lone 1 97 - 1 - Peak 291 from nnoeabs.peaks (1.11, 8.44, 121.79 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 62 + H ILE 63 OK 100 100 - 100 - 4.0=100 QG2 VAL 120 - H ILE 63 OK 24 93 - 25 - 8060/3.6=8, 2.1/7134=4...(6) QG2 VAL 50 - H ILE 63 OK 15 68 - 22 - 3.2/5601=4, 2.1/5602=4...(7) QD2 LEU 117 - H ILE 63 poor 10 68 - 14 - 3489/3.6=4, 3493/4.4=3...(4) Peak 292 from nnoeabs.peaks (8.44, 9.24, 127.77 ppm; 4.88 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 63 + H GLU 64 OK 100 100 - 100 - 4.6=100 H GLU 82 + H GLU 64 OK 62 98 - 63 - 5.2/8437=20, 5.2/8438=20...(12) H GLN 16 - H GLU 64 OK 21 96 - 21 - 3498/3.6=4, 3512/4.3=3...(6) H LEU 51 - H GLU 64 OK 13 92 - 14 - 3512/4.3=3, 3498/3.6=3...(5) Peak 293 from nnoeabs.peaks (4.14, 9.24, 127.77 ppm; 3.17 A): 1 out of 12 assignments used, quality = 0.86: * HA ILE 63 + H GLU 64 OK 86 100 - 86 - 3.6=70, 3.2/5665=20...(15) HA PHE 83 - H GLU 64 poor 10 97 - 10 - 8355/5668=2, 3513/4.3=2...(4) HA ILE 124 - H GLU 64 lone 9 100 - 9 - 7172/4.6=2, 1067/4.6=1...(4) HA PRO 37 - H GLU 64 lone 7 100 - 7 - HA ARG 57 - H GLU 64 lone 7 73 - 9 - 3513/4.3=2, 3506/4.4=1...(5) HA GLU 28 - H GLU 64 lone 6 83 - 7 - 4.0/3564=2, 4.0/3564=2 HB3 SER 78 - H GLU 64 lone 5 97 - 5 - 7361/4.6=2 HA ALA 98 - H GLU 64 lone 4 100 - 4 - HB2 SER 113 - H GLU 64 lone 4 92 - 5 - 7172/4.6=1 HA ASN 108 - H GLU 64 lone 4 100 - 4 - HB3 SER 72 - H GLU 64 lone 1 100 - 1 - HA3 GLY 25 - H GLU 64 lone 1 73 - 2 - Peak 294 from nnoeabs.peaks (2.06, 9.24, 127.77 ppm; 3.92 A): 2 out of 16 assignments used, quality = 0.99: * HB ILE 63 + H GLU 64 OK 94 100 - 94 - 4.4=68, 2.1/5665=38...(12) HG2 GLU 64 + H GLU 64 OK 82 99 - 84 - 5.0=48, 1.8/3564=21...(16) HB3 GLU 38 - H GLU 64 OK 22 100 - 22 - 1.8/1075=3, 3.0/1078=2...(10) HB3 ARG 81 - H GLU 64 OK 18 96 - 19 - 4.3/292=5, 5747/4.6=3...(6) HB2 ARG 57 - H GLU 64 OK 16 99 - 16 - 3514/4.3=3, 3500/3.6=3...(5) HB2 GLU 56 - H GLU 64 poor 8 73 - 11 - 5747/4.6=2, 3.0/1078=2...(5) HG3 PRO 37 - H GLU 64 lone 8 93 - 9 - 3.8/293=1, 2692/3.6=1 HB2 GLU 15 - H GLU 64 lone 7 76 - 9 - 5445/4.6=2, 4.6/292=2 HB2 GLN 16 - H GLU 64 lone 7 92 - 8 - 4.0/292=2, 1942/4.6=1 HG LEU 21 - H GLU 64 lone 7 85 - 8 - HB3 GLN 16 - H GLU 64 lone 7 90 - 8 - 4.0/292=2, 1942/4.6=1 HB2 LEU 114 - H GLU 64 lone 5 87 - 6 - 303/4.6=2 HG3 PRO 60 - H GLU 64 lone 5 87 - 6 - 3500/3.6=1, 3514/4.3=1 HG3 GLU 69 - H GLU 64 lone 5 65 - 7 - 3558=2 HG3 PRO 70 - H GLU 64 lone 4 76 - 6 - 2.3/1078=1 HB2 GLN 105 - H GLU 64 lone 3 95 - 3 - Peak 295 from nnoeabs.peaks (0.76, 9.24, 127.77 ppm; 3.64 A): 1 out of 7 assignments used, quality = 0.91: * QG2 ILE 63 + H GLU 64 OK 91 100 - 91 - 4.3=59, 3.2/5663=30...(15) QG2 VAL 66 - H GLU 64 OK 18 96 - 19 - 7165/4.6=4, 3501/3.6=3...(6) HG LEU 111 - H GLU 64 OK 18 97 - 18 - 3501/3.6=4, 1069/4.6=2...(8) QD1 LEU 84 - H GLU 64 OK 13 95 - 14 - 3501/3.6=2, 7482=2...(5) QD2 LEU 93 - H GLU 64 OK 11 99 - 11 - 3501/3.6=2, 1069/4.6=1...(4) QD2 LEU 111 - H GLU 64 poor 7 63 - 11 - 3501/3.6=2, 4796/7159=2...(4) QD1 LEU 91 - H GLU 64 lone 6 89 - 7 - 7165/4.6=1, 3501/3.6=1 Peak 298 from nnoeabs.peaks (0.94, 9.24, 127.77 ppm; 3.96 A): 6 out of 10 assignments used, quality = 0.94: * QD1 ILE 63 + H GLU 64 OK 88 100 - 88 - 5668=50, 3.2/5665=30...(16) QD1 LEU 41 + H GLU 64 OK 15 98 - 15 - 8413/7159=3, 3504/3.6=3...(5) QG2 ILE 124 + H GLU 64 OK 13 89 - 14 - 3504/3.6=4, 3.2/293=2...(5) QD1 LEU 27 + H GLU 64 OK 13 92 - 14 - 3504/3.6=2, 3518/4.3=2...(6) QD1 LEU 55 + H GLU 64 OK 12 99 - 12 - 3518/4.3=3, 3504/3.6=3...(4) QD2 LEU 27 + H GLU 64 OK 12 87 - 13 - 3504/3.6=2, 3518/4.3=2...(5) QG2 ILE 22 - H GLU 64 lone 8 89 - 9 - 3504/3.6=2, 3518/4.3=2...(4) HB2 GLN 42 - H GLU 64 lone 5 73 - 7 - 6773/7159=2 QG2 VAL 49 - H GLU 64 lone 5 81 - 6 - 3518/4.3=1, 3504/3.6=1 QG2 VAL 115 - H GLU 64 lone 4 89 - 5 - Peak 299 from nnoeabs.peaks (9.24, 7.21, 119.71 ppm; 3.07 A): 1 out of 1 assignment used, quality = 0.61: * H GLU 64 + H LYS 65 OK 61 100 - 61 - 4.6=29, 2.9/300=13...(13) Peak 300 from nnoeabs.peaks (4.26, 7.21, 119.71 ppm; 3.42 A): 1 out of 9 assignments used, quality = 0.94: * HA GLU 64 + H LYS 65 OK 94 100 - 94 - 3.6=88, 2.9/299=30...(7) HA GLN 103 - H LYS 65 OK 25 90 - 28 - 4.0/7163=6, 4.0/7761=5...(10) HA LEU 58 - H LYS 65 OK 12 99 - 12 - 5669=2, 3540/4.6=2...(5) HA ALA 89 - H LYS 65 poor 9 89 - 10 - 2.9/1472=3, 2.1/1085=1 HA GLU 94 - H LYS 65 lone 9 96 - 9 - 1074/4.6=1, 4.2/5673=1 HB THR 19 - H LYS 65 lone 3 97 - 3 - HA3 GLY 48 - H LYS 65 lone 2 96 - 2 - HA ALA 122 - H LYS 65 lone 2 96 - 2 - HA THR 17 - H LYS 65 lone 1 71 - 2 - Peak 301 from nnoeabs.peaks (1.94, 7.21, 119.71 ppm; 3.11 A): 3 out of 17 assignments used, quality = 0.86: HB3 GLU 64 + H LYS 65 OK 61 100 - 61 - 4.6=30, 4.0/299=18...(6) * HB2 GLU 64 + H LYS 65 OK 61 100 - 61 - 4.6=30, 4.0/299=18...(6) HB2 LYS 109 + H LYS 65 OK 10 100 - 10 - 4895/4.0=2, 4895/4.0=2 HG LEU 58 - H LYS 65 lone 10 100 - 10 - 2.1/6348=2, 3369/3.6=1...(4) HB2 GLU 38 - H LYS 65 lone 9 100 - 9 - 1.8/303=2, 3.0/304=1, 3.0/304=1 HB3 GLU 94 - H LYS 65 lone 6 90 - 7 - 4525/3.6=1, 2.9/300=1, 3.0/304=1 HB3 PRO 30 - H LYS 65 lone 6 97 - 6 - 1.8/6584=1 HB2 ARG 81 - H LYS 65 lone 5 60 - 8 - 4.3/7160=3, 1.8/303=1 HB ILE 80 - H LYS 65 lone 5 92 - 5 - 3.2/7397=1 HB3 LYS 119 - H LYS 65 lone 3 99 - 3 - HB2 LEU 21 - H LYS 65 lone 3 97 - 3 - HB2 ARG 85 - H LYS 65 lone 3 97 - 3 - HB3 ARG 85 - H LYS 65 lone 3 97 - 3 - HB3 GLU 69 - H LYS 65 lone 2 99 - 2 - HB ILE 22 - H LYS 65 lone 2 63 - 3 - HB3 GLU 73 - H LYS 65 lone 1 68 - 2 - HB3 MET 11 - H LYS 65 lone 1 81 - 1 - Peak 302 from nnoeabs.peaks (1.93, 7.21, 119.71 ppm; 3.11 A): 3 out of 17 assignments used, quality = 0.86: * HB3 GLU 64 + H LYS 65 OK 61 100 - 61 - 4.6=30, 4.0/299=18...(6) HB2 GLU 64 + H LYS 65 OK 61 100 - 61 - 4.6=30, 4.0/299=18...(6) HB2 LYS 109 + H LYS 65 OK 10 100 - 10 - 4895/4.0=2, 4895/4.0=2 HG LEU 58 - H LYS 65 lone 10 100 - 10 - 2.1/6348=2, 3369/3.6=1...(4) HB2 GLU 38 - H LYS 65 lone 9 99 - 9 - 1.8/303=2, 3.0/304=1, 3.0/304=1 HB3 GLU 94 - H LYS 65 lone 6 87 - 7 - 4525/3.6=1, 2.9/300=1, 3.0/304=1 HB3 PRO 30 - H LYS 65 lone 5 96 - 6 - 1.8/6584=1 HB2 ARG 81 - H LYS 65 lone 5 65 - 8 - 4.3/7160=3, 1.8/303=1 HB ILE 80 - H LYS 65 lone 5 95 - 5 - 3.2/7397=1 HB2 LEU 21 - H LYS 65 lone 3 98 - 3 - HB3 LYS 119 - H LYS 65 lone 3 99 - 3 - HB2 ARG 85 - H LYS 65 lone 3 96 - 3 - HB3 ARG 85 - H LYS 65 lone 3 96 - 3 - HB3 GLU 69 - H LYS 65 lone 2 99 - 2 - HB ILE 22 - H LYS 65 lone 2 68 - 3 - HB3 GLU 73 - H LYS 65 lone 1 73 - 2 - HB3 MET 11 - H LYS 65 lone 1 85 - 1 - Peak 303 from nnoeabs.peaks (2.07, 7.21, 119.71 ppm; 3.89 A): 6 out of 15 assignments used, quality = 0.93: HB ILE 63 + H LYS 65 OK 63 99 - 64 - 4.4/299=24, 2.1/7125=19...(10) * HG2 GLU 64 + H LYS 65 OK 58 100 - 58 - 5.0/299=20, 3.9/300=16...(6) HB2 LEU 114 + H LYS 65 OK 30 97 - 31 - 3.1/7956=6, 3.0/1080=5...(10) HB2 LEU 101 + H LYS 65 OK 17 63 - 27 - 3.0/7719=4, 3.1/1084=3...(10) HB3 GLU 38 + H LYS 65 OK 16 96 - 17 - 1.8/301=2, 3.0/304=2...(9) HB3 ARG 81 + H LYS 65 OK 11 83 - 13 - 4.3/7160=6, 1.8/302=1, 294/4.6=1 HB2 ARG 57 - H LYS 65 lone 9 100 - 9 - 1077/4.6=1 HB2 GLU 15 - H LYS 65 lone 8 92 - 8 - 4.6/7160=1, 3.0/304=1 HG LEU 21 - H LYS 65 lone 7 97 - 7 - HG3 PRO 37 - H LYS 65 lone 6 78 - 7 - 3.8/7172=2, 2.3/304=1 HB2 GLN 16 - H LYS 65 lone 5 99 - 5 - 4.0/7160=1 HB3 GLN 16 - H LYS 65 lone 5 99 - 5 - 4.0/7160=1 HG3 GLU 69 - H LYS 65 lone 4 85 - 5 - HB2 GLN 105 - H LYS 65 lone 3 100 - 3 - HG3 PRO 60 - H LYS 65 lone 2 68 - 3 - Peak 304 from nnoeabs.peaks (2.24, 7.21, 119.71 ppm; 4.30 A): 9 out of 12 assignments used, quality = 0.92: * HG3 GLU 64 + H LYS 65 OK 66 100 - 66 - 5.0/299=25, 3.9/300=19...(8) HB3 LEU 117 + H LYS 65 OK 21 100 - 21 - 6240/3.0=5, ~6238=3...(6) HG2 GLU 38 + H LYS 65 OK 20 100 - 20 - 3.0/303=2, 3545/3.6=2...(9) HG3 GLU 38 + H LYS 65 OK 19 100 - 20 - 3.0/303=2, 3545/3.6=2...(9) HG2 GLU 94 + H LYS 65 OK 18 100 - 18 - 5673=4, 3564/4.6=3...(7) HG3 GLU 28 + H LYS 65 OK 15 100 - 15 - 3564/4.6=3, 5673=3...(4) HG2 GLU 28 + H LYS 65 OK 15 99 - 15 - 3564/4.6=3, 5673=3...(4) HB2 PRO 70 + H LYS 65 OK 11 99 - 11 - 2.3/7164=2 HG2 GLU 56 + H LYS 65 OK 10 98 - 10 - 7025/7125=3, 1078/4.6=2 HB2 PRO 68 - H LYS 65 lone 10 100 - 10 - 3.0/7239=1, 3.0/7239=1 HG3 GLU 15 - H LYS 65 lone 9 93 - 9 - 1.8/7164=1, 3.0/303=1 HB3 PRO 37 - H LYS 65 poor 8 78 - 10 - 2.3/7172=3 Peak 305 from nnoeabs.peaks (7.21, 7.96, 123.25 ppm; 4.07 A): 2 out of 5 assignments used, quality = 0.95: * H LYS 65 + H VAL 66 OK 89 100 - 89 - 4.6=67, 3.0/306=26...(14) QD TYR 67 + H VAL 66 OK 50 93 - 54 - 4829/4.4=22, 7205/3.0=8...(9) QD TYR 102 - H VAL 66 OK 21 98 - 21 - 3570/3.6=5, 4825/4.7=3...(7) QD PHE 107 - H VAL 66 OK 17 68 - 25 - 4809/4.0=5, 7205/3.0=5...(7) QE PHE 40 - H VAL 66 lone 8 99 - 8 - 3570/3.6=2, 4830/4.0=1 Peak 306 from nnoeabs.peaks (4.29, 7.96, 123.25 ppm; 2.65 A): 3 out of 7 assignments used, quality = 0.72: * HA LYS 65 + H VAL 66 OK 61 100 - 61 - 3.6=41, 3.0/308=6...(12) HA LEU 114 + H VAL 66 OK 19 100 - 19 - 7194/4.0=3, 5056=2...(10) HB3 SER 113 + H VAL 66 OK 10 99 - 10 - 5891=2, 1.8/5890=2, 7194/4.0=1 HB2 SER 78 - H VAL 66 lone 5 98 - 5 - 7363/4.6=1 HA GLN 103 - H VAL 66 lone 3 90 - 3 - 1080/4.6=1 HA GLU 94 - H VAL 66 lone 2 83 - 2 - HA ALA 122 - H VAL 66 lone 1 83 - 1 - Peak 307 from nnoeabs.peaks (1.54, 7.96, 123.25 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.95: HB3 LYS 65 + H VAL 66 OK 77 100 - 77 - 4.7=45, 3.0/306=22...(11) * HB2 LYS 65 + H VAL 66 OK 77 100 - 77 - 4.7=45, 3.0/306=22...(11) HD3 LYS 46 - H VAL 66 OK 12 90 - 14 - 3572/3.6=3, 8584/4.6=3...(5) HG12 ILE 124 - H VAL 66 lone 6 99 - 7 - 3573/3.6=2, 3.2/309=1 HG3 LYS 109 - H VAL 66 lone 5 100 - 5 - Peak 308 from nnoeabs.peaks (1.54, 7.96, 123.25 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.95: * HB3 LYS 65 + H VAL 66 OK 77 100 - 77 - 4.7=45, 3.0/306=22...(11) HB2 LYS 65 + H VAL 66 OK 77 100 - 77 - 4.7=45, 3.0/306=22...(11) HD3 LYS 46 - H VAL 66 OK 12 90 - 14 - 3572/3.6=3, 8584/4.6=3...(5) HG12 ILE 124 - H VAL 66 lone 6 99 - 7 - 3573/3.6=2, 3.2/309=1 HG3 LYS 109 - H VAL 66 lone 5 100 - 5 - Peak 309 from nnoeabs.peaks (0.98, 7.96, 123.25 ppm; 3.52 A): 3 out of 9 assignments used, quality = 0.86: * HG2 LYS 65 + H VAL 66 OK 61 100 - 61 - 4.0/306=15, 3.0/307=12...(11) HG3 LYS 65 + H VAL 66 OK 61 100 - 61 - 4.0/306=15, 3.0/307=12...(11) QD1 LEU 101 + H VAL 66 OK 11 100 - 11 - 8152/4.6=2, 3574/3.6=2 QG2 THR 95 - H VAL 66 lone 8 99 - 8 - 7627/4.0=2, 7173/3.0=1 QG2 ILE 124 - H VAL 66 poor 8 76 - 10 - 5352/4.7=2, 5352/4.7=2 QD2 LEU 58 - H VAL 66 lone 5 95 - 5 - 6348/4.6=1 QG1 VAL 18 - H VAL 66 lone 4 100 - 4 - 6348/4.6=1 QD1 LEU 58 - H VAL 66 lone 4 81 - 5 - HB3 LEU 27 - H VAL 66 lone 4 68 - 6 - Peak 310 from nnoeabs.peaks (0.98, 7.96, 123.25 ppm; 3.52 A): 3 out of 9 assignments used, quality = 0.86: HG2 LYS 65 + H VAL 66 OK 61 100 - 61 - 4.0/306=15, 3.0/307=12...(11) * HG3 LYS 65 + H VAL 66 OK 61 100 - 61 - 4.0/306=15, 3.0/307=12...(11) QD1 LEU 101 + H VAL 66 OK 11 100 - 11 - 8152/4.6=2, 3574/3.6=2 QG2 THR 95 - H VAL 66 lone 8 99 - 8 - 7627/4.0=2, 7173/3.0=1 QG2 ILE 124 - H VAL 66 poor 8 76 - 10 - 5352/4.7=2, 5352/4.7=2 QD2 LEU 58 - H VAL 66 lone 5 95 - 5 - 6348/4.6=1 QG1 VAL 18 - H VAL 66 lone 4 100 - 4 - 6348/4.6=1 QD1 LEU 58 - H VAL 66 lone 4 81 - 5 - HB3 LEU 27 - H VAL 66 lone 4 68 - 6 - Peak 311 from nnoeabs.peaks (1.44, 7.96, 123.25 ppm; 3.79 A): 4 out of 16 assignments used, quality = 0.92: * HD2 LYS 65 + H VAL 66 OK 62 100 - 62 - 2.9/310=12, 2.9/310=12...(10) HD3 LYS 65 + H VAL 66 OK 62 100 - 62 - 2.9/310=12, 2.9/310=12...(10) HB3 LEU 91 + H VAL 66 OK 32 93 - 35 - 1.8/1091=6, 5790=5...(11) HB3 GLU 75 + H VAL 66 OK 21 99 - 21 - 3.0/1092=5, 3965/4.0=3...(9) QB ALA 89 - H VAL 66 OK 17 100 - 17 - 4357=3, 2.1/4354=3...(6) HD2 LYS 46 - H VAL 66 OK 17 92 - 18 - 3576/3.6=3, 1.8/307=3...(7) HB3 LEU 101 - H VAL 66 OK 11 100 - 11 - 3.1/310=2, 3577/3.6=2 HB2 LEU 93 - H VAL 66 poor 10 78 - 12 - 3.8/450=3, 3.1/1093=2 HB3 LEU 45 - H VAL 66 lone 7 99 - 7 - 1.8/1091=1 HG LEU 24 - H VAL 66 lone 3 99 - 3 - QB ALA 98 - H VAL 66 lone 3 83 - 3 - QB ALA 14 - H VAL 66 lone 2 78 - 3 - HG2 LYS 119 - H VAL 66 lone 2 89 - 2 - HB2 LEU 51 - H VAL 66 lone 2 76 - 2 - HG3 LYS 31 - H VAL 66 lone 2 83 - 2 - HG3 ARG 57 - H VAL 66 lone 1 73 - 2 - Peak 312 from nnoeabs.peaks (1.44, 7.96, 123.25 ppm; 3.79 A): 4 out of 16 assignments used, quality = 0.92: HD2 LYS 65 + H VAL 66 OK 62 100 - 62 - 2.9/310=12, 2.9/310=12...(10) * HD3 LYS 65 + H VAL 66 OK 62 100 - 62 - 2.9/310=12, 2.9/310=12...(10) HB3 LEU 91 + H VAL 66 OK 32 93 - 35 - 1.8/1091=6, 5790=5...(11) HB3 GLU 75 + H VAL 66 OK 21 99 - 21 - 3.0/1092=5, 3965/4.0=3...(9) QB ALA 89 - H VAL 66 OK 17 100 - 17 - 4357=3, 2.1/4354=3...(6) HD2 LYS 46 - H VAL 66 OK 17 92 - 18 - 3576/3.6=3, 1.8/307=3...(7) HB3 LEU 101 - H VAL 66 OK 11 100 - 11 - 3.1/310=2, 3577/3.6=2 HB2 LEU 93 - H VAL 66 poor 10 78 - 12 - 3.8/450=3, 3.1/1093=2 HB3 LEU 45 - H VAL 66 lone 7 99 - 7 - 1.8/1091=1 HG LEU 24 - H VAL 66 lone 3 99 - 3 - QB ALA 98 - H VAL 66 lone 3 83 - 3 - QB ALA 14 - H VAL 66 lone 2 78 - 3 - HG2 LYS 119 - H VAL 66 lone 2 89 - 2 - HB2 LEU 51 - H VAL 66 lone 2 76 - 2 - HG3 LYS 31 - H VAL 66 lone 2 83 - 2 - HG3 ARG 57 - H VAL 66 lone 1 73 - 2 - Peak 315 from nnoeabs.peaks (7.96, 9.60, 127.29 ppm; 4.68 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 66 + H TYR 67 OK 100 100 - 100 - 4.4=100 H LEU 114 - H TYR 67 OK 27 97 - 28 - 3670/4.3=6, 3660/3.6=6...(7) H ARG 92 - H TYR 67 OK 23 100 - 23 - 3660/3.6=6, 3665/4.5=5...(7) H ALA 89 - H TYR 67 OK 15 100 - 15 - 3660/3.6=4, 3675/4.3=3...(4) H SER 44 - H TYR 67 OK 15 93 - 16 - 3670/4.3=3, 3675/4.3=3...(7) HE ARG 85 - H TYR 67 lone 3 83 - 4 - Peak 316 from nnoeabs.peaks (4.21, 9.60, 127.29 ppm; 3.13 A): 3 out of 11 assignments used, quality = 0.90: * HA VAL 66 + H TYR 67 OK 85 100 - 85 - 3.6=68, 3.2/5685=19...(9) HA CYS 52 + H TYR 67 OK 18 99 - 18 - 6948/4.3=4, 3671/4.3=4...(7) HA PRO 68 + H TYR 67 OK 13 63 - 21 - 3.6/7209=5, ~8317=5...(6) HA ILE 22 - H TYR 67 lone 8 100 - 8 - 3.2/7208=2, 2146/4.3=1...(4) HA VAL 26 - H TYR 67 lone 4 99 - 4 - HA ARG 92 - H TYR 67 lone 3 60 - 5 - 3.0/315=2 HA SER 13 - H TYR 67 lone 2 100 - 2 - HA LEU 126 - H TYR 67 lone 2 99 - 2 - HA ALA 89 - H TYR 67 lone 2 63 - 4 - 2.9/315=1 HA THR 17 - H TYR 67 lone 2 83 - 2 - HA3 GLY 61 - H TYR 67 lone 1 81 - 1 - Peak 317 from nnoeabs.peaks (1.75, 9.60, 127.29 ppm; 4.29 A): 1 out of 16 assignments used, quality = 0.98: * HB VAL 66 + H TYR 67 OK 98 100 - 98 - 4.5=88, 2.1/5685=43...(7) HB2 GLU 75 - H TYR 67 OK 19 63 - 31 - 3.0/318=7, 8333/4.5=5...(11) HB2 LEU 91 - H TYR 67 OK 19 95 - 20 - 3662/3.6=4, 1091/4.4=4...(7) HG LEU 117 - H TYR 67 OK 16 92 - 18 - 3677/4.3=3, 3672/4.3=3...(7) HB3 LYS 46 - H TYR 67 OK 14 100 - 14 - 6865/4.8=3, 6865/4.8=3...(5) HB2 ARG 53 - H TYR 67 OK 13 99 - 13 - 3662/3.6=3, 3672/4.3=3...(4) HG2 GLN 42 - H TYR 67 OK 11 96 - 12 - 6778/4.5=3, 3.0/7208=2 HD2 LYS 109 - H TYR 67 OK 10 92 - 11 - 8454/3.0=3, ~8454=2, ~8589=1 HD3 LYS 109 - H TYR 67 poor 10 87 - 11 - 8454/3.0=3, ~8454=2, ~8589=1 HB2 LEU 117 - H TYR 67 poor 9 68 - 13 - 3.1/7208=2, 3672/4.3=2...(6) HG2 ARG 71 - H TYR 67 lone 6 100 - 6 - 4.7/7206=1 HG3 ARG 71 - H TYR 67 lone 6 98 - 6 - 4.7/7206=1 HG3 PRO 30 - H TYR 67 lone 5 90 - 6 - HB2 LEU 45 - H TYR 67 lone 5 99 - 5 - HB3 ARG 71 - H TYR 67 lone 4 85 - 5 - 4.3/7206=1 HB2 LYS 31 - H TYR 67 lone 3 76 - 4 - 4.7/7206=1 Peak 318 from nnoeabs.peaks (0.70, 9.60, 127.29 ppm; 3.73 A): 2 out of 5 assignments used, quality = 0.96: * QG1 VAL 66 + H TYR 67 OK 93 100 - 93 - 4.3=67, 2.1/5686=35...(13) HG3 GLU 75 + H TYR 67 OK 32 99 - 33 - 8552/4.5=7, 3663/3.6=4...(13) QD1 LEU 77 - H TYR 67 OK 16 99 - 16 - 4691/4.5=3, 3663/3.6=2...(8) QD2 LEU 54 - H TYR 67 OK 16 97 - 16 - 3663/3.6=3, 3678/4.3=2...(6) QD1 LEU 114 - H TYR 67 poor 8 63 - 12 - 1092/4.4=2, 4.4/315=2...(6) Peak 319 from nnoeabs.peaks (0.77, 9.60, 127.29 ppm; 3.68 A): 2 out of 8 assignments used, quality = 0.94: * QG2 VAL 66 + H TYR 67 OK 92 100 - 92 - 4.3=64, 2.1/5685=35...(12) QG2 ILE 63 + H TYR 67 OK 30 96 - 32 - 7123/4.4=6, 3664/3.6=5...(10) QD1 LEU 91 - H TYR 67 poor 7 60 - 12 - 3664/3.6=2, 1093/4.4=2...(7) QD1 ILE 22 - H TYR 67 poor 7 63 - 10 - 3.0/7208=2, 3664/3.6=2...(5) QD1 LEU 111 - H TYR 67 lone 6 73 - 8 - 7889/4.5=2 QD2 LEU 93 - H TYR 67 lone 6 87 - 7 - 1093/4.4=2, 3664/3.6=1 HG LEU 111 - H TYR 67 lone 5 78 - 6 - 3664/3.6=1, 1093/4.4=1 QD1 LEU 84 - H TYR 67 lone 3 71 - 4 - Peak 320 from nnoeabs.peaks (4.18, 8.26, 117.58 ppm; 3.54 A): 1 out of 10 assignments used, quality = 0.99: * HA PRO 68 + H GLU 69 OK 99 100 - 99 - 3.6=98, 2.3/323=15...(10) HA GLU 56 - H GLU 69 OK 11 87 - 13 - 8322/4.8=3, 3731/3.9=3 HA VAL 66 - H GLU 69 OK 11 63 - 17 - 3.2/7201=7, 3738/3.9=3 HA ARG 92 - H GLU 69 OK 10 100 - 11 - 3738/3.9=3, 3731/3.9=2 HA GLU 28 - H GLU 69 poor 6 60 - 10 - 3.0/324=3, 3738/3.9=2 HA ILE 22 - H GLU 69 lone 4 60 - 7 - ~1563=2, 3.2/7240=2, 3.9/1102=1 HA LEU 126 - H GLU 69 lone 3 78 - 3 - HA SER 78 - H GLU 69 lone 2 85 - 2 - HA3 GLY 61 - H GLU 69 lone 2 99 - 2 - HA SER 13 - H GLU 69 lone 1 60 - 1 - Peak 321 from nnoeabs.peaks (2.23, 8.26, 117.58 ppm; 4.04 A): 2 out of 12 assignments used, quality = 1.00: * HB2 PRO 68 + H GLU 69 OK 100 100 - 100 - 3.9=100 HB2 PRO 70 + H GLU 69 OK 67 97 - 69 - 3.0/7243=19, 3.0/7244=18...(13) HG3 GLU 15 - H GLU 69 OK 17 89 - 19 - 3.0/1104=4, 3.0/1105=3...(8) HG3 GLU 28 - H GLU 69 OK 15 100 - 15 - 3739/3.9=4, 3.0/324=3...(4) HG2 GLU 28 - H GLU 69 OK 15 100 - 15 - 3739/3.9=4, 3.0/324=3...(4) HB3 LEU 117 - H GLU 69 OK 12 100 - 12 - 3.1/7240=3, 3725/3.6=2...(5) HG2 GLU 56 - H GLU 69 OK 12 96 - 13 - 3280/3.6=3, 3739/3.9=2...(5) HG3 GLU 64 - H GLU 69 OK 12 100 - 12 - 1.8/3783=3, 3.0/1103=2...(4) HG2 GLU 38 - H GLU 69 lone 9 99 - 9 - 4.9/8144=1, 3790/4.8=1...(4) HG3 GLU 38 - H GLU 69 lone 9 99 - 9 - 4.9/8144=1, 3790/4.8=1...(4) HG2 GLU 94 - H GLU 69 lone 9 100 - 9 - 3739/3.9=2, 3725/3.6=2 HB3 PRO 37 - H GLU 69 lone 4 85 - 5 - 3797/4.8=1, 3790/4.8=1 Peak 322 from nnoeabs.peaks (1.98, 8.26, 117.58 ppm; 3.12 A): 3 out of 14 assignments used, quality = 0.88: * HB3 PRO 68 + H GLU 69 OK 73 100 - 73 - 3.9=49, 2.3/320=17...(6) HG2 PRO 68 + H GLU 69 OK 50 100 - 50 - 1.8/324=13, 5692=13...(7) HG LEU 114 + H GLU 69 OK 12 100 - 12 - 5692=2, 2.1/7241=2...(6) HB2 LEU 55 - H GLU 69 lone 8 87 - 9 - 3.0/324=3, 3.1/7240=2...(4) HB2 LYS 46 - H GLU 69 lone 7 92 - 8 - 4.4/6894=3, 3.0/7244=1 HB2 LEU 41 - H GLU 69 lone 6 100 - 6 - 3.0/1102=2, 3.1/7240=1 HG LEU 45 - H GLU 69 lone 6 97 - 6 - 3.6/1101=1 HG2 PRO 60 - H GLU 69 lone 6 97 - 6 - 5692=1, 3726/3.6=1, 3733/3.9=1 HB2 GLU 94 - H GLU 69 lone 5 92 - 5 - 4522/3.9=1 HB3 GLU 94 - H GLU 69 lone 2 60 - 4 - HB ILE 124 - H GLU 69 lone 2 100 - 2 - HB2 MET 11 - H GLU 69 lone 1 100 - 1 - HB2 ARG 71 - H GLU 69 lone 1 98 - 1 - HB3 GLN 103 - H GLU 69 lone 1 100 - 1 - Peak 323 from nnoeabs.peaks (1.98, 8.26, 117.58 ppm; 3.12 A): 3 out of 14 assignments used, quality = 0.88: HB3 PRO 68 + H GLU 69 OK 73 100 - 73 - 3.9=49, 2.3/320=17...(6) * HG2 PRO 68 + H GLU 69 OK 50 100 - 50 - 1.8/324=13, 5692=13...(7) HG LEU 114 + H GLU 69 OK 12 100 - 12 - 5692=2, 2.1/7241=2...(6) HB2 LEU 55 - H GLU 69 lone 7 81 - 9 - 3.0/324=3, 3.1/7240=2...(4) HB2 LYS 46 - H GLU 69 lone 6 87 - 7 - 4.4/6894=3, 3.0/7244=1 HG LEU 45 - H GLU 69 lone 6 99 - 6 - 3.6/1101=1 HB2 LEU 41 - H GLU 69 lone 6 100 - 6 - 3.0/1102=2, 3.1/7240=1 HG2 PRO 60 - H GLU 69 lone 6 95 - 6 - 5692=1, 3726/3.6=1, 3733/3.9=1 HB2 GLU 94 - H GLU 69 lone 4 87 - 5 - 4522/3.9=1 HB3 GLU 94 - H GLU 69 lone 3 68 - 4 - HB ILE 124 - H GLU 69 lone 2 100 - 2 - HB2 MET 11 - H GLU 69 lone 1 99 - 1 - HB2 ARG 71 - H GLU 69 lone 1 99 - 1 - HB3 GLN 103 - H GLU 69 lone 1 100 - 1 - Peak 324 from nnoeabs.peaks (1.87, 8.26, 117.58 ppm; 3.29 A): 4 out of 12 assignments used, quality = 0.73: * HG3 PRO 68 + H GLU 69 OK 58 100 - 58 - 2.3/323=13, 1.8/5692=13...(8) HG LEU 55 + H GLU 69 OK 18 93 - 19 - 5693=4, 3742/3.9=3...(6) HB3 GLU 28 + H GLU 69 OK 13 100 - 13 - 3735/3.9=3, 3742/3.9=3...(5) HB VAL 50 + H GLU 69 OK 10 92 - 11 - 2.1/6918=4, 4.0/214=3 HB2 ARG 92 - H GLU 69 lone 10 99 - 10 - 4423/3.6=3, 3735/3.9=2...(4) HB3 LYS 109 - H GLU 69 lone 8 100 - 8 - 1.8/1103=1 HG12 ILE 22 - H GLU 69 lone 6 81 - 7 - 3.2/7240=1 HB2 LEU 58 - H GLU 69 lone 6 100 - 6 - HB2 LYS 119 - H GLU 69 lone 4 92 - 4 - HG LEU 84 - H GLU 69 lone 2 87 - 3 - HB3 LYS 31 - H GLU 69 lone 2 92 - 2 - HG3 GLU 73 - H GLU 69 lone 1 60 - 2 - Peak 325 from nnoeabs.peaks (3.91, 8.26, 117.58 ppm; 3.31 A): 2 out of 15 assignments used, quality = 0.85: * HD2 PRO 68 + H GLU 69 OK 62 100 - 62 - 3.6/320=13, 2.3/324=13...(9) HD3 PRO 68 + H GLU 69 OK 62 100 - 62 - 3.6/320=13, 2.3/324=13...(9) HB3 ASN 79 - H GLU 69 poor 8 60 - 13 - 1.8/7242=4, 3.5/8144=4...(4) HA ILE 34 - H GLU 69 lone 8 98 - 8 - 6627=5 HB THR 62 - H GLU 69 lone 4 100 - 4 - HA ALA 43 - H GLU 69 lone 4 99 - 4 - HA THR 23 - H GLU 69 lone 3 78 - 4 - HA ARG 53 - H GLU 69 lone 3 71 - 4 - HA ARG 85 - H GLU 69 lone 2 85 - 3 - HB2 SER 112 - H GLU 69 lone 2 83 - 2 - HA2 GLY 2 - H GLU 69 lone 2 98 - 2 - HA3 GLY 2 - H GLU 69 lone 2 98 - 2 - HB3 SER 112 - H GLU 69 lone 2 78 - 2 - HB THR 95 - H GLU 69 lone 2 76 - 2 - HA2 GLY 25 - H GLU 69 lone 1 78 - 1 - Peak 326 from nnoeabs.peaks (3.92, 8.26, 117.58 ppm; 3.31 A): 2 out of 14 assignments used, quality = 0.85: * HD3 PRO 68 + H GLU 69 OK 62 100 - 62 - 3.6/320=13, 2.3/324=13...(9) HD2 PRO 68 + H GLU 69 OK 62 100 - 62 - 3.6/320=13, 2.3/324=13...(9) HA ILE 34 - H GLU 69 lone 7 97 - 8 - 6627=5 HB THR 62 - H GLU 69 lone 4 100 - 4 - HA ALA 43 - H GLU 69 lone 4 99 - 4 - HA THR 23 - H GLU 69 lone 4 83 - 4 - HA ARG 85 - H GLU 69 lone 3 89 - 3 - HA ARG 53 - H GLU 69 lone 3 65 - 4 - HA2 GLY 2 - H GLU 69 lone 2 97 - 2 - HA3 GLY 2 - H GLU 69 lone 2 97 - 2 - HB2 SER 112 - H GLU 69 lone 2 78 - 2 - HB3 SER 112 - H GLU 69 lone 2 73 - 2 - HB THR 95 - H GLU 69 lone 1 71 - 2 - HA2 GLY 25 - H GLU 69 lone 1 83 - 1 - Peak 327 from nnoeabs.peaks (4.48, 9.10, 121.85 ppm; 2.81 A): 2 out of 7 assignments used, quality = 0.98: HA ARG 71 + H ARG 71 OK 94 100 - 94 - 3.0=87, 3.0/3854=13...(13) * HA PRO 70 + H ARG 71 OK 64 100 - 64 - 3.5=50, 2.3/329=10...(9) HA PRO 60 - H ARG 71 OK 16 90 - 17 - 2.3/8415=3, 5696=3...(6) HA PRO 30 - H ARG 71 OK 14 87 - 17 - 6581/4.6=2, 2.3/3846=2...(6) HA LEU 101 - H ARG 71 OK 13 99 - 13 - 3817/3.9=2, 3.0/329=2...(4) HA LEU 91 - H ARG 71 lone 6 78 - 7 - HA SER 90 - H ARG 71 lone 2 83 - 2 - Peak 328 from nnoeabs.peaks (2.24, 9.10, 121.85 ppm; 4.17 A): 1 out of 14 assignments used, quality = 1.00: * HB2 PRO 70 + H ARG 71 OK 100 100 - 100 - 3.9=100 HG3 GLU 15 - H ARG 71 OK 16 99 - 17 - 1930/3.9=5, 3804/3.5=3...(6) HG2 GLU 56 - H ARG 71 OK 14 100 - 14 - 3.0/331=3, 3818/3.9=3...(5) HB2 PRO 68 - H ARG 71 OK 13 97 - 13 - 3818/3.9=3, 3804/3.5=2...(5) HB3 LEU 117 - H ARG 71 poor 10 97 - 10 - 3818/3.9=3, 3804/3.5=2 HG3 GLU 38 - H ARG 71 lone 8 100 - 8 - 3818/3.9=2, 3804/3.5=1 HG2 GLU 38 - H ARG 71 lone 8 100 - 8 - 3818/3.9=2, 3804/3.5=1 HB3 PRO 37 - H ARG 71 poor 7 60 - 12 - 2.3/331=3, 1.8/8415=2...(4) HG2 GLU 94 - H ARG 71 lone 3 100 - 3 - HG3 GLU 64 - H ARG 71 lone 2 99 - 2 - HG3 GLU 28 - H ARG 71 lone 2 96 - 2 - HG2 GLU 28 - H ARG 71 lone 2 93 - 2 - HG3 GLU 94 - H ARG 71 lone 2 71 - 2 - HB2 CYS 87 - H ARG 71 lone 1 71 - 2 - Peak 329 from nnoeabs.peaks (2.10, 9.10, 121.85 ppm; 3.94 A): 1 out of 9 assignments used, quality = 1.00: * HB3 PRO 70 + H ARG 71 OK 100 100 - 100 - 3.9=100 HB2 LEU 101 - H ARG 71 OK 26 100 - 26 - 3805/3.5=5, 1.8/7279=5...(9) HB2 GLU 15 - H ARG 71 OK 13 89 - 15 - 1915/3.9=6, 3805/3.5=4...(4) HG3 GLU 69 - H ARG 71 lone 9 95 - 10 - 3812/3.9=3, 3805/3.5=3 HB2 GLN 105 - H ARG 71 lone 6 65 - 10 - 4.5/334=4, 1.8/8415=2 HB2 LEU 114 - H ARG 71 lone 5 78 - 7 - 3812/3.9=2, 3805/3.5=1 HG LEU 21 - H ARG 71 lone 3 81 - 3 - HB3 GLN 16 - H ARG 71 lone 2 73 - 2 - HB2 GLN 16 - H ARG 71 lone 1 71 - 2 - Peak 331 from nnoeabs.peaks (2.04, 9.10, 121.85 ppm; 4.55 A): 6 out of 8 assignments used, quality = 0.93: * HG3 PRO 70 + H ARG 71 OK 69 100 - 69 - 5700=33, 2.3/329=25...(11) HG3 PRO 60 + H ARG 71 OK 49 100 - 50 - 2.3/8415=9, 3814/3.9=7...(14) HB2 GLU 56 + H ARG 71 OK 21 100 - 21 - 3814/3.9=5, 3821/3.9=4...(6) HG3 PRO 37 + H ARG 71 OK 20 98 - 20 - 3821/3.9=5, 3814/3.9=5...(6) HB3 ARG 53 + H ARG 71 OK 16 83 - 19 - 3.0/8415=3, 3143/6.2=2...(10) HB3 ARG 81 + H ARG 71 OK 15 97 - 15 - 3.5/3886=3, 4126/6.2=2...(5) HB3 GLU 38 - H ARG 71 poor 9 85 - 11 - 3821/3.9=2, 3814/3.9=2...(5) HB ILE 63 - H ARG 71 lone 6 76 - 7 - 3814/3.9=2, 3821/3.9=2 Peak 334 from nnoeabs.peaks (9.10, 7.42, 111.59 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.73: * H ARG 71 + H SER 72 OK 68 100 - 68 - 4.6=38, 3854/4.3=13...(10) H ARG 71 + HE21 GLN 105 OK 14 92 - 15 - 1474=6, 3.0/5701=2...(4) Peak 335 from nnoeabs.peaks (4.48, 7.42, 111.59 ppm; 3.51 A): 1 out of 14 assignments used, quality = 0.97: * HA ARG 71 + H SER 72 OK 97 100 - 97 - 3.6=95, 3.0/334=24...(6) HA PRO 70 - H SER 72 OK 39 100 - 39 - 3.5/334=20, 2.3/7269=7...(8) HA PRO 30 - H SER 72 OK 27 87 - 31 - 6581=8, 2.3/6582=5...(12) HA PRO 70 - HE21 GLN 105 OK 12 92 - 13 - 3.5/334=4, 2.3/7269=3...(4) HA ARG 71 - HE21 GLN 105 OK 12 92 - 12 - 3.0/334=5, 5701=3...(4) HA LEU 101 - H SER 72 lone 8 99 - 8 - 3.0/7284=1, 1107/4.6=1 HA PRO 60 - H SER 72 lone 6 90 - 7 - 5696/4.6=2, 2.3/770=1 HA LEU 91 - H SER 72 lone 5 78 - 6 - 4374/4.3=1 HA PRO 30 - HE21 GLN 105 lone 4 75 - 5 - 6581=1 HA LEU 101 - HE21 GLN 105 lone 2 89 - 2 - HA SER 90 - H SER 72 lone 2 83 - 2 - HA PRO 60 - HE21 GLN 105 lone 1 79 - 2 - HA LEU 91 - HE21 GLN 105 lone 1 67 - 1 - HA SER 90 - HE21 GLN 105 lone 0 71 - 1 - Peak 336 from nnoeabs.peaks (1.97, 7.42, 111.59 ppm; 4.18 A): 1 out of 34 assignments used, quality = 0.96: * HB2 ARG 71 + H SER 72 OK 96 100 - 96 - 4.3=90, 4.0/334=25...(6) HB3 PRO 30 - H SER 72 OK 30 68 - 44 - 2.3/6581=10, 1.8/6582=8...(14) HG LEU 45 - H SER 72 OK 17 100 - 17 - 3840/3.6=3, 2900/4.7=3...(7) HB2 ARG 71 - HE21 GLN 105 OK 15 92 - 16 - 4.0/334=5, 5702=3...(6) HG2 PRO 60 - H SER 72 OK 10 85 - 12 - 3840/3.6=4, 1108/4.6=3...(4) HG LEU 114 - H SER 72 lone 6 99 - 6 - 2.1/7285=2 HB3 GLN 103 - HE21 GLN 105 lone 6 88 - 7 - 7781/6.3=5 HB ILE 124 - H SER 72 lone 5 98 - 5 - 3.0/1117=1 HG2 PRO 68 - H SER 72 lone 5 99 - 5 - HB3 PRO 68 - H SER 72 lone 5 98 - 5 - 1108/4.6=1 HB3 PRO 30 - HE21 GLN 105 lone 5 57 - 8 - 2.3/6581=2, 1.8/6582=1 HB2 LYS 46 - H SER 72 lone 5 73 - 6 - 3.5/7284=1 HB2 MET 11 - HE21 GLN 105 lone 5 85 - 5 - 7781/6.3=2, 1845/5.9=1 HB2 LEU 41 - H SER 72 lone 4 98 - 4 - HG LEU 114 - HE21 GLN 105 lone 4 90 - 4 - 2.1/7285=1 HB2 LEU 55 - H SER 72 lone 3 65 - 5 - HB2 LEU 41 - HE21 GLN 105 lone 3 88 - 3 - 7781/6.3=1 HB3 GLN 103 - H SER 72 lone 3 98 - 3 - HG2 PRO 60 - HE21 GLN 105 lone 2 73 - 3 - HG LEU 45 - HE21 GLN 105 lone 2 92 - 2 - HB3 GLU 94 - HE21 GLN 105 lone 2 71 - 3 - HB2 GLU 94 - HE21 GLN 105 lone 2 62 - 3 - HG2 PRO 68 - HE21 GLN 105 lone 2 90 - 2 - HB2 MET 11 - H SER 72 lone 2 96 - 2 - HB ILE 124 - HE21 GLN 105 lone 2 88 - 2 - HB3 GLU 94 - H SER 72 lone 2 83 - 2 - HB3 PRO 68 - HE21 GLN 105 lone 2 88 - 2 - HB2 LYS 46 - HE21 GLN 105 lone 2 62 - 3 - HB2 GLU 94 - H SER 72 lone 1 73 - 2 - HB2 LEU 55 - HE21 GLN 105 lone 1 55 - 2 - HB2 ARG 85 - H SER 72 lone 1 68 - 1 - HB3 ARG 85 - H SER 72 lone 1 68 - 1 - HB2 ARG 85 - HE21 GLN 105 lone 1 57 - 1 - HB3 ARG 85 - HE21 GLN 105 lone 1 57 - 1 - Peak 337 from nnoeabs.peaks (1.73, 7.42, 111.59 ppm; 3.57 A): 3 out of 22 assignments used, quality = 0.94: * HB3 ARG 71 + H SER 72 OK 76 100 - 76 - 4.3=56, 4.0/334=18...(6) HG2 ARG 71 + H SER 72 OK 60 92 - 65 - 4.7=43, 5.0/334=13...(6) HG3 ARG 71 + H SER 72 OK 41 63 - 65 - 4.7=43, 5.0/334=13...(6) HB2 LYS 31 - H SER 72 OK 25 100 - 25 - 1.8/5519=4, 3.0/5517=4...(9) HB3 ARG 71 - HE21 GLN 105 OK 11 92 - 11 - 4.0/334=4, 3.0/5701=2...(4) HG2 ARG 71 - HE21 GLN 105 lone 7 80 - 9 - 5.0/334=3, 4.0/5701=2...(4) HB2 LEU 91 - H SER 72 lone 7 99 - 7 - 4380/3.6=2, 1.8/7284=1 HB2 LYS 31 - HE21 GLN 105 lone 5 91 - 6 - HB2 LEU 45 - H SER 72 lone 5 71 - 8 - 1.8/7284=2, 3.0/336=1...(4) HG3 ARG 71 - HE21 GLN 105 lone 5 53 - 9 - 5.0/334=3, 4.0/5701=2...(4) HB VAL 66 - H SER 72 lone 5 85 - 5 - 2.1/7285=3 HB3 LEU 55 - H SER 72 lone 4 97 - 4 - HB2 ARG 53 - H SER 72 lone 3 95 - 4 - HB3 LEU 77 - H SER 72 lone 3 87 - 4 - HB3 LYS 46 - H SER 72 lone 2 76 - 3 - HB VAL 66 - HE21 GLN 105 lone 1 73 - 2 - HB3 LEU 77 - HE21 GLN 105 lone 1 75 - 2 - HB2 LEU 91 - HE21 GLN 105 lone 1 90 - 1 - HB2 ARG 53 - HE21 GLN 105 lone 1 83 - 1 - HB3 LEU 55 - HE21 GLN 105 lone 1 86 - 1 - HB3 LYS 46 - HE21 GLN 105 lone 1 64 - 1 - HB2 LEU 45 - HE21 GLN 105 lone 1 60 - 1 - Peak 338 from nnoeabs.peaks (1.74, 7.42, 111.59 ppm; 3.57 A): 3 out of 30 assignments used, quality = 0.96: HB3 ARG 71 + H SER 72 OK 69 92 - 76 - 4.3=56, 4.0/334=18...(6) * HG2 ARG 71 + H SER 72 OK 65 100 - 65 - 4.7=43, 5.0/334=13...(6) HG3 ARG 71 + H SER 72 OK 62 95 - 65 - 4.7=43, 5.0/334=13...(6) HG3 PRO 30 - H SER 72 OK 21 83 - 26 - 2.3/6582=6, 3.8/6581=5...(10) HB2 LYS 31 - H SER 72 OK 21 85 - 25 - 1.8/5519=4, 3.0/5517=4...(9) HB3 ARG 71 - HE21 GLN 105 poor 9 80 - 11 - 4.0/334=4, 3.0/5701=2...(4) HG2 ARG 71 - HE21 GLN 105 lone 9 92 - 9 - 5.0/334=3, 4.0/5701=2...(5) HB2 LEU 45 - H SER 72 lone 8 97 - 9 - 1.8/7284=2, 2888/4.3=2...(4) HG3 ARG 71 - HE21 GLN 105 lone 8 83 - 9 - 5.0/334=3, 4.0/5701=2...(4) HB2 LEU 91 - H SER 72 lone 7 98 - 7 - 4380/3.6=2, 1.8/7284=1 HB VAL 66 - H SER 72 lone 6 100 - 6 - 2.1/7285=3 HB2 LYS 31 - HE21 GLN 105 lone 4 73 - 6 - HB3 LYS 46 - H SER 72 lone 4 99 - 4 - HB2 ARG 53 - H SER 72 lone 4 100 - 4 - HG3 PRO 30 - HE21 GLN 105 lone 3 71 - 4 - HG2 GLN 42 - H SER 72 lone 2 90 - 3 - HG LEU 117 - H SER 72 lone 2 85 - 3 - HB3 LEU 55 - H SER 72 lone 2 68 - 3 - HB VAL 66 - HE21 GLN 105 lone 2 91 - 2 - HD2 LYS 109 - H SER 72 lone 1 85 - 2 - HD3 LYS 109 - H SER 72 lone 1 78 - 2 - HB2 ARG 53 - HE21 GLN 105 lone 1 92 - 1 - HB2 LEU 45 - HE21 GLN 105 lone 1 87 - 1 - HB3 LYS 46 - HE21 GLN 105 lone 1 89 - 1 - HB2 LEU 91 - HE21 GLN 105 lone 1 88 - 1 - HG LEU 117 - HE21 GLN 105 lone 1 73 - 1 - HB3 LEU 55 - HE21 GLN 105 lone 1 57 - 1 - HG2 GLN 42 - HE21 GLN 105 lone 1 79 - 1 - HD2 LYS 109 - HE21 GLN 105 lone 0 73 - 1 - HD3 LYS 109 - HE21 GLN 105 lone 0 67 - 1 - Peak 339 from nnoeabs.peaks (1.76, 7.42, 111.59 ppm; 3.48 A): 4 out of 30 assignments used, quality = 0.94: * HG3 ARG 71 + H SER 72 OK 63 100 - 63 - 4.7=40, 5.0/334=12...(7) HG2 ARG 71 + H SER 72 OK 59 95 - 62 - 4.7=40, 5.0/334=12...(6) HB3 ARG 71 + H SER 72 OK 45 63 - 72 - 4.3=52, 4.0/334=17...(6) HB2 GLU 75 + H SER 72 OK 31 85 - 36 - 8335/4.6=10, 1.8/7284=7...(8) HG3 PRO 30 - H SER 72 OK 25 99 - 26 - 2.3/6582=5, 3.8/6581=5...(10) HB2 LEU 45 - H SER 72 lone 9 100 - 9 - 1.8/7284=2, 2888/4.3=2...(4) HG3 ARG 71 - HE21 GLN 105 lone 8 92 - 9 - 5.0/334=3, 4.0/5701=1...(4) HG2 ARG 71 - HE21 GLN 105 lone 7 83 - 9 - 5.0/334=3, 4.0/5701=1...(4) HB2 GLU 75 - HE21 GLN 105 lone 7 73 - 10 - 3.0/7285=2, 1.8/7284=2...(4) HB VAL 66 - H SER 72 lone 5 98 - 6 - 2.1/7285=2 HB3 ARG 71 - HE21 GLN 105 lone 5 53 - 10 - 4.0/334=4, 3.0/5701=2 HB2 LEU 91 - H SER 72 lone 4 78 - 6 - 4380/3.6=1, 1.8/7284=1 HG3 PRO 30 - HE21 GLN 105 lone 4 90 - 4 - HB3 LYS 46 - H SER 72 lone 4 100 - 4 - HG LEU 117 - H SER 72 lone 3 99 - 3 - HG2 GLN 42 - H SER 72 lone 3 100 - 3 - HB2 ARG 53 - H SER 72 lone 3 92 - 3 - HB2 LEU 117 - H SER 72 lone 3 89 - 3 - HD2 LYS 109 - H SER 72 lone 2 99 - 2 - HD3 LYS 109 - H SER 72 lone 2 98 - 2 - HB VAL 66 - HE21 GLN 105 lone 2 88 - 2 - HB2 LEU 45 - HE21 GLN 105 lone 1 92 - 1 - HB3 LYS 46 - HE21 GLN 105 lone 1 91 - 1 - HB2 ARG 53 - HE21 GLN 105 lone 1 80 - 1 - HG LEU 117 - HE21 GLN 105 lone 1 90 - 1 - HB2 LEU 117 - HE21 GLN 105 lone 1 77 - 1 - HB2 LEU 91 - HE21 GLN 105 lone 1 67 - 1 - HG2 GLN 42 - HE21 GLN 105 lone 1 92 - 1 - HD2 LYS 109 - HE21 GLN 105 lone 1 90 - 1 - HD3 LYS 109 - HE21 GLN 105 lone 1 88 - 1 - Peak 343 from nnoeabs.peaks (4.72, 9.17, 123.84 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 72 + H GLU 73 OK 100 100 - 100 - 3.6=100 HA ASN 12 - H GLU 73 lone 1 60 - 2 - Peak 344 from nnoeabs.peaks (3.77, 9.17, 123.84 ppm; 4.40 A): 2 out of 11 assignments used, quality = 0.94: * HB2 SER 72 + H GLU 73 OK 92 100 - 92 - 4.5=91, 7282/4.6=15 HB3 SER 74 + H GLU 73 OK 29 100 - 30 - 4.0/346=23, 3904/4.5=3...(4) HB2 SER 74 - H GLU 73 OK 29 99 - 30 - 4.0/346=23, 3904/4.5=3...(4) HD2 PRO 30 - H GLU 73 OK 11 97 - 12 - 1116/4.6=3, 3896/3.6=3 HA GLU 38 - H GLU 73 lone 9 87 - 10 - ~6084=3, ~927=1 HA LEU 54 - H GLU 73 poor 7 60 - 12 - ~3192=2, ~3185=2...(5) HA CYS 87 - H GLU 73 lone 4 85 - 5 - HA2 GLY 61 - H GLU 73 lone 4 87 - 4 - 3.6/1476=2, 5658/4.6=1 HB3 SER 13 - H GLU 73 lone 2 96 - 2 - HB2 SER 90 - H GLU 73 lone 2 76 - 3 - HB3 SER 35 - H GLU 73 lone 2 87 - 2 - Peak 345 from nnoeabs.peaks (4.14, 9.17, 123.84 ppm; 4.80 A): 1 out of 13 assignments used, quality = 1.00: * HB3 SER 72 + H GLU 73 OK 100 100 - 100 - 4.5=100 HA PRO 37 - H GLU 73 OK 13 100 - 13 - 3.8/1120=2, 2.3/1120=2...(7) HA ILE 124 - H GLU 73 OK 11 100 - 11 - 5935/4.6=4, 3.6/346=2 HA ARG 57 - H GLU 73 poor 9 71 - 12 - ~6076=2, ~1639=2...(4) HA GLU 28 - H GLU 73 lone 8 85 - 9 - ~6084=2, 3.0/1121=1 HA ILE 63 - H GLU 73 lone 7 100 - 7 - HA ALA 98 - H GLU 73 lone 5 100 - 5 - HB3 SER 78 - H GLU 73 lone 4 96 - 5 - HA PHE 83 - H GLU 73 lone 4 98 - 4 - HA ASN 108 - H GLU 73 lone 3 100 - 3 - HB2 SER 113 - H GLU 73 lone 3 93 - 3 - HA SER 78 - H GLU 73 lone 3 60 - 5 - HA3 GLY 25 - H GLU 73 lone 1 71 - 2 - Peak 346 from nnoeabs.peaks (9.17, 8.35, 111.98 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 73 + H SER 74 OK 98 100 - 98 - 4.6=94, 4.1/348=19...(10) H GLU 73 - H GLY 125 poor 8 69 - 11 - 1476=3, 345/3.6=2...(5) Peak 347 from nnoeabs.peaks (3.74, 8.35, 111.98 ppm; 3.75 A): 1 out of 20 assignments used, quality = 1.00: * HA GLU 73 + H SER 74 OK 100 100 - 100 - 3.6=100 HA LEU 54 - H SER 74 OK 13 100 - 13 - 1643/4.7=2, 3919/4.2=2...(5) HA GLU 38 - H SER 74 OK 10 92 - 11 - 1643/4.7=4, ~6086=2...(5) HA CYS 87 - H SER 74 lone 5 93 - 5 - HA GLU 73 - H GLY 125 lone 4 69 - 6 - 3.0/346=2, 5711=1 HA CYS 87 - H GLY 125 lone 4 59 - 7 - 7534/4.4=2, 6165/4.6=1 HB3 SER 90 - H SER 74 lone 4 97 - 4 - HD2 PRO 30 - H SER 74 lone 4 76 - 5 - 1643/4.7=2 HB3 SER 35 - H SER 74 lone 2 92 - 2 - HB3 SER 13 - H SER 74 lone 2 81 - 2 - HA3 GLY 86 - H SER 74 lone 2 78 - 2 - HB3 SER 90 - H GLY 125 lone 2 64 - 3 - HA3 GLY 86 - H GLY 125 lone 1 47 - 3 - HA GLU 38 - H GLY 125 lone 1 58 - 2 - HA LEU 54 - H GLY 125 lone 1 68 - 1 - HA2 GLY 104 - H SER 74 lone 1 60 - 1 - HD2 PRO 30 - H GLY 125 lone 0 45 - 1 - HB3 SER 35 - H GLY 125 lone 0 58 - 1 - HB3 SER 13 - H GLY 125 lone 0 48 - 1 - HA2 GLY 104 - H GLY 125 lone 0 34 - 1 - Peak 348 from nnoeabs.peaks (2.19, 8.35, 111.98 ppm; 4.04 A): 1 out of 12 assignments used, quality = 0.95: * HB2 GLU 73 + H SER 74 OK 95 100 - 95 - 4.2=90, 1.8/349=21...(5) HG12 ILE 80 - H SER 74 OK 14 65 - 21 - 3908/3.6=4, 3.0/349=3...(10) HB VAL 26 - H SER 74 OK 11 100 - 11 - 3908/3.6=4, 3920/4.2=2 HG2 PRO 37 - H SER 74 lone 8 96 - 8 - 3908/3.6=2, ~7302=2...(4) HB2 GLU 73 - H GLY 125 lone 5 69 - 7 - 4.1/346=2, 5712=1...(4) HB3 PRO 37 - H SER 74 lone 5 71 - 7 - ~7302=2, 3908/3.6=2 HB VAL 49 - H SER 74 lone 5 100 - 5 - 3908/3.6=1 HG12 ILE 80 - H GLY 125 lone 1 38 - 4 - HB VAL 26 - H GLY 125 lone 1 67 - 2 - HB VAL 49 - H GLY 125 lone 1 68 - 2 - HG2 PRO 37 - H GLY 125 lone 1 62 - 2 - HB3 PRO 37 - H GLY 125 lone 1 41 - 2 - Peak 349 from nnoeabs.peaks (1.91, 8.35, 111.98 ppm; 3.73 A): 3 out of 34 assignments used, quality = 0.89: * HB3 GLU 73 + H SER 74 OK 84 100 - 84 - 4.2=70, 1.8/348=21...(5) HB ILE 80 + H SER 74 OK 17 97 - 18 - 3909/3.6=3, 3.0/348=2...(6) HB2 ARG 81 + H SER 74 OK 16 100 - 16 - 3909/3.6=3, 3918/4.6=3...(4) HB ILE 22 - H SER 74 lone 9 100 - 9 - 3909/3.6=2, 2151/4.9=2...(5) HB3 GLU 73 - H GLY 125 lone 5 69 - 7 - 4.1/346=1, 1.8/348=1, 3.0/5711=1 HB2 GLU 28 - H SER 74 lone 4 99 - 4 - HB3 LYS 31 - H SER 74 lone 3 68 - 5 - ~6089=2, 5519/4.7=1 HB ILE 80 - H GLY 125 lone 3 63 - 5 - 8513/3.6=2 HB2 LEU 21 - H SER 74 lone 3 92 - 3 - HG LEU 55 - H SER 74 lone 2 65 - 4 - ~6089=1 HB2 LEU 84 - H SER 74 lone 2 99 - 2 - HB2 ARG 81 - H GLY 125 lone 2 68 - 3 - HB VAL 50 - H SER 74 lone 2 68 - 2 - HB ILE 22 - H GLY 125 lone 2 69 - 2 - HG LEU 58 - H SER 74 lone 2 81 - 2 - HG LEU 84 - H SER 74 lone 1 76 - 2 - HB3 MET 11 - H SER 74 lone 1 100 - 1 - HG LEU 55 - H GLY 125 lone 1 38 - 3 - HB2 LYS 109 - H SER 74 lone 1 68 - 2 - HB2 LEU 84 - H GLY 125 lone 1 66 - 2 - HB3 MET 11 - H GLY 125 lone 1 67 - 1 - HG LEU 58 - H GLY 125 lone 1 48 - 2 - HB2 LYS 119 - H SER 74 lone 1 68 - 1 - HB3 GLU 64 - H SER 74 lone 1 73 - 1 - HB2 GLU 28 - H GLY 125 lone 1 66 - 1 - HB2 GLU 64 - H SER 74 lone 1 68 - 1 - HB3 GLU 64 - H GLY 125 lone 1 43 - 1 - HG LEU 84 - H GLY 125 lone 1 45 - 1 - HB2 LEU 21 - H GLY 125 lone 1 58 - 1 - HB2 GLU 64 - H GLY 125 lone 1 39 - 1 - HB2 LYS 109 - H GLY 125 lone 1 39 - 1 - HB3 LYS 31 - H GLY 125 lone 0 39 - 1 - HB VAL 50 - H GLY 125 lone 0 39 - 1 - HB2 LYS 119 - H GLY 125 lone 0 39 - 1 - Peak 350 from nnoeabs.peaks (1.84, 8.35, 111.98 ppm; 3.92 A): 2 out of 22 assignments used, quality = 0.94: * HG2 GLU 73 + H SER 74 OK 75 100 - 75 - 4.9=52, 2.9/348=18...(6) HG3 GLU 73 + H SER 74 OK 75 100 - 75 - 4.9=52, 2.9/348=18...(6) HG2 GLU 75 - H SER 74 OK 22 71 - 31 - 5.1/352=12, 1.8/7297=6...(9) HG12 ILE 22 - H SER 74 lone 7 98 - 7 - 2.9/349=2, 2163/4.2=1...(4) HG LEU 41 - H GLY 125 lone 6 67 - 10 - 2800/4.5=3, 2804/4.4=2...(4) HG LEU 41 - H SER 74 lone 5 99 - 5 - HG3 ARG 53 - H SER 74 lone 5 97 - 5 - 3910/3.6=1, 3916/4.2=1 HB3 ARG 57 - H SER 74 lone 5 68 - 7 - 6076/3.6=2, 1132/4.7=1 HG13 ILE 63 - H GLY 125 lone 4 53 - 8 - 3527/3.6=2, 5.2/288=2...(4) HG13 ILE 63 - H SER 74 lone 4 87 - 5 - HG2 GLU 73 - H GLY 125 lone 4 69 - 6 - 5.1/346=1 HG3 GLU 73 - H GLY 125 lone 4 69 - 6 - 5.1/346=1 HB2 GLU 69 - H SER 74 lone 2 100 - 2 - HB3 GLN 105 - H SER 74 lone 2 83 - 3 - HB3 ARG 57 - H GLY 125 lone 2 39 - 5 - HG12 ILE 22 - H GLY 125 lone 1 65 - 2 - HG2 GLU 75 - H GLY 125 lone 1 41 - 3 - 5.1/352=2 HB3 LYS 109 - H SER 74 lone 1 68 - 2 - HG3 ARG 53 - H GLY 125 lone 1 63 - 1 - HB3 LYS 109 - H GLY 125 lone 1 39 - 1 - HB2 GLU 69 - H GLY 125 lone 1 67 - 1 - HB3 GLN 105 - H GLY 125 lone 0 50 - 1 - Peak 351 from nnoeabs.peaks (1.84, 8.35, 111.98 ppm; 3.92 A): 2 out of 26 assignments used, quality = 0.94: HG2 GLU 73 + H SER 74 OK 75 100 - 75 - 4.9=52, 2.9/348=18...(6) * HG3 GLU 73 + H SER 74 OK 75 100 - 75 - 4.9=52, 2.9/348=18...(6) HG2 GLU 75 - H SER 74 OK 20 68 - 30 - 5.1/352=12, 1.8/7297=6...(8) HG12 ILE 22 - H SER 74 lone 7 99 - 7 - 2.9/349=2, 2163/4.2=1...(4) HG LEU 41 - H GLY 125 lone 6 66 - 10 - 2800/4.5=3, 2804/4.4=2...(4) HG LEU 41 - H SER 74 lone 5 99 - 5 - HG3 ARG 53 - H SER 74 lone 5 96 - 5 - 3910/3.6=1, 3916/4.2=1 HG2 GLU 73 - H GLY 125 lone 4 69 - 6 - 5.1/346=1 HG3 GLU 73 - H GLY 125 lone 4 69 - 6 - 5.1/346=1 HB3 ARG 57 - H SER 74 lone 4 65 - 6 - 6076/3.6=1 HG13 ILE 63 - H GLY 125 lone 4 52 - 8 - 5.2/288=2, 3527/3.6=2...(4) HG13 ILE 63 - H SER 74 lone 4 85 - 5 - HB2 GLU 69 - H SER 74 lone 2 99 - 2 - HB3 GLN 105 - H SER 74 lone 2 81 - 2 - HB3 GLU 28 - H SER 74 lone 2 60 - 3 - HB3 ARG 57 - H GLY 125 lone 2 38 - 5 - HG12 ILE 22 - H GLY 125 lone 1 66 - 2 - HB3 LYS 109 - H SER 74 lone 1 71 - 2 - HG2 GLU 75 - H GLY 125 lone 1 39 - 3 - 5.1/352=2 HG3 PRO 68 - H SER 74 lone 1 60 - 2 - HG3 ARG 53 - H GLY 125 lone 1 62 - 1 - HG3 PRO 68 - H GLY 125 lone 1 34 - 2 - HB3 LYS 109 - H GLY 125 lone 1 41 - 1 - HB2 GLU 69 - H GLY 125 lone 1 67 - 1 - HB3 GLU 28 - H GLY 125 lone 0 34 - 1 - HB3 GLN 105 - H GLY 125 lone 0 48 - 1 - Peak 352 from nnoeabs.peaks (8.35, 7.40, 122.83 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.78: * H SER 74 + H GLU 75 OK 75 100 - 75 - 4.7=59, 3944/4.6=9...(11) H ILE 80 + H GLU 75 OK 13 63 - 20 - 3.5/4048=4, 4.5/7306=3...(6) H GLY 125 - H GLU 75 poor 10 78 - 13 - 1477=3, 3936/3.6=2...(4) H VAL 115 - H GLU 75 lone 7 78 - 9 - 1769/4.6=2, 1771/2.9=1 H THR 62 - H GLU 75 lone 4 87 - 4 - Peak 353 from nnoeabs.peaks (3.95, 7.40, 122.83 ppm; 4.42 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 74 + H GLU 75 OK 100 100 - 100 - 3.6=100 HA2 GLY 125 - H GLU 75 lone 8 100 - 8 - 3.0/352=3, 1646/4.6=1 HA3 GLY 125 - H GLU 75 lone 8 100 - 8 - 3.0/352=3, 1646/4.6=1 HA2 GLY 25 - H GLU 75 lone 6 93 - 7 - 1646/4.6=1, ~6098=1 HA THR 23 - H GLU 75 lone 4 93 - 4 - 1646/4.6=1 HA ARG 85 - H GLU 75 lone 2 89 - 3 - HA ALA 43 - H GLU 75 lone 2 63 - 4 - ~1598=1 Peak 354 from nnoeabs.peaks (3.78, 7.40, 122.83 ppm; 3.52 A): 5 out of 12 assignments used, quality = 0.94: HB3 SER 74 + H GLU 75 OK 68 100 - 68 - 4.6=45, 4.0/352=13...(10) * HB2 SER 74 + H GLU 75 OK 68 100 - 68 - 4.6=45, 4.0/352=13...(10) HB2 SER 72 + H GLU 75 OK 26 99 - 26 - 7282/4.7=9, 3898=4...(8) HA GLU 38 + H GLU 75 OK 14 73 - 19 - 3.0/1645=4, 7308/2.9=3...(7) HD2 PRO 30 + H GLU 75 OK 13 90 - 15 - 3.0/7304=4, 3.6/6581=3...(4) HA3 GLY 39 - H GLU 75 lone 7 68 - 10 - 1.8/1129=3, ~6093=2...(4) HA CYS 87 - H GLU 75 lone 2 71 - 3 - HA2 GLY 61 - H GLU 75 lone 2 96 - 2 - HB3 SER 13 - H GLU 75 lone 2 87 - 2 - HB2 SER 90 - H GLU 75 lone 2 89 - 2 - HA2 GLY 88 - H GLU 75 lone 1 60 - 2 - HB3 SER 35 - H GLU 75 lone 1 73 - 1 - Peak 355 from nnoeabs.peaks (3.78, 7.40, 122.83 ppm; 3.52 A): 5 out of 11 assignments used, quality = 0.94: * HB3 SER 74 + H GLU 75 OK 68 100 - 68 - 4.6=45, 4.0/352=13...(10) HB2 SER 74 + H GLU 75 OK 68 100 - 68 - 4.6=45, 4.0/352=13...(10) HB2 SER 72 + H GLU 75 OK 26 100 - 26 - 7282/4.7=9, 3898=4...(8) HA GLU 38 + H GLU 75 OK 14 76 - 19 - 3.0/1645=4, 7308/2.9=3...(7) HD2 PRO 30 + H GLU 75 OK 14 92 - 15 - 3.0/7304=4, 3.6/6581=3...(4) HA3 GLY 39 - H GLU 75 lone 6 65 - 10 - 1.8/1129=3, ~6093=2...(4) HA CYS 87 - H GLU 75 lone 3 73 - 3 - HA2 GLY 61 - H GLU 75 lone 2 95 - 2 - HB3 SER 13 - H GLU 75 lone 2 89 - 2 - HB2 SER 90 - H GLU 75 lone 2 87 - 2 - HB3 SER 35 - H GLU 75 lone 1 76 - 1 - Peak 356 from nnoeabs.peaks (7.40, 7.56, 117.77 ppm; 3.40 A): 6 out of 12 assignments used, quality = 0.89: * H GLU 75 + H CYS 76 OK 65 100 - 66 - 4.6=41, 1131/4.3=7...(12) HD21 ASN 79 + H CYS 76 OK 33 97 - 34 - 7330/2.9=7, 3948/3.6=4...(14) H GLU 75 + H SER 113 OK 26 92 - 28 - 1478=10, 2.9/5719=4...(9) H LYS 32 + H CYS 76 OK 16 90 - 17 - 1651/4.6=3, 7330/2.9=2...(6) H PHE 96 + H SER 113 OK 13 91 - 14 - 7642/4.0=5, 7641/4.0=3 H SER 72 + H CYS 76 OK 10 76 - 14 - 7287/3.6=3, 7284/4.3=3...(4) H PHE 96 - H CYS 76 lone 8 100 - 8 - 7330/2.9=1, 3948/3.6=1 H LYS 32 - H SER 113 lone 7 78 - 9 - 902/3.0=1, 2.9/1349=1 HD21 ASN 79 - H SER 113 lone 5 87 - 6 - H SER 72 - H SER 113 lone 2 64 - 3 - HE21 GLN 16 - H CYS 76 lone 1 73 - 2 - HE21 GLN 16 - H SER 113 lone 1 62 - 2 - Peak 357 from nnoeabs.peaks (3.58, 7.56, 117.77 ppm; 4.07 A): 1 out of 12 assignments used, quality = 1.00: * HA GLU 75 + H CYS 76 OK 100 100 - 100 - 3.6=100 HA GLU 75 - H SER 113 OK 33 92 - 35 - 2.9/1478=8, 5719=7...(10) HA LEU 111 - H SER 113 OK 32 66 - 48 - 3.6/1515=15, 2.9/1752=9...(9) HD2 PRO 70 - H CYS 76 OK 31 68 - 46 - 3.0/8318=11, 3.0/7321=7...(12) HA LEU 111 - H CYS 76 OK 17 78 - 22 - 3.6/1515=4, 2.9/1752=3...(8) HA2 GLY 39 - H CYS 76 OK 15 85 - 18 - 2.9/1649=3, 3.6/1479=2...(8) HA LEU 51 - H CYS 76 OK 13 71 - 19 - 2.9/1460=3, 3.0/5606=2...(8) HA LEU 51 - H SER 113 OK 10 59 - 17 - 4.0/5609=3, 2.9/1460=3...(6) HA2 GLY 48 - H CYS 76 lone 8 100 - 8 - 3961/4.3=2, 3955/4.3=2 HD2 PRO 70 - H SER 113 poor 6 57 - 11 - 3.0/8318=2, 3.0/7321=1 HA2 GLY 39 - H SER 113 lone 6 73 - 8 - 6011/4.6=2 HA2 GLY 48 - H SER 113 lone 3 91 - 3 - Peak 358 from nnoeabs.peaks (1.78, 7.56, 117.77 ppm; 4.03 A): 2 out of 30 assignments used, quality = 0.92: * HB2 GLU 75 + H CYS 76 OK 89 100 - 89 - 4.3=86, 4.0/1478=17...(4) HB2 PRO 37 + H CYS 76 OK 23 97 - 24 - 3.9/1479=4, 6678/4.3=3...(9) HB2 GLU 75 - H SER 113 OK 21 92 - 23 - 4.0/1478=6, 3.0/5719=5...(5) HB2 LYS 32 - H CYS 76 OK 15 97 - 16 - 2495/4.6=3, 4.0/356=2...(7) HB2 LYS 32 - H SER 113 OK 13 85 - 15 - 2496/3.0=2, 3.0/7323=2...(7) HB2 LEU 117 - H SER 113 OK 12 91 - 13 - 6238/4.0=4, 4.0/1782=2...(4) HB2 LEU 117 - H CYS 76 OK 11 100 - 11 - 3950/3.6=2, 3962/4.3=1...(4) HG3 PRO 30 - H CYS 76 OK 11 96 - 11 - 3950/3.6=2, 1130/4.6=2...(5) HB VAL 66 - H CYS 76 poor 10 63 - 15 - 2.1/7197=5, 2.1/361=4...(6) HG3 PRO 30 - H SER 113 poor 9 84 - 11 - 2.3/1648=1, ~6608=1...(4) HG LEU 117 - H CYS 76 lone 8 95 - 9 - 3950/3.6=2, 3962/4.3=1...(4) HB3 GLU 56 - H SER 113 poor 8 76 - 11 - 3.0/1350=1, 5635=1...(6) HG LEU 117 - H SER 113 lone 7 83 - 9 - 8016/4.0=3, 4.8/1782=1 HG3 ARG 71 - H CYS 76 lone 7 85 - 9 - 1130/4.6=2, 3962/4.3=2...(4) HB2 PRO 37 - H SER 113 lone 7 85 - 9 - 2.3/1350=1, 3.9/1479=1 HB VAL 66 - H SER 113 poor 7 52 - 13 - 2.1/7197=4, 2.1/361=2...(4) HD3 LYS 109 - H SER 113 lone 6 87 - 7 - 5.2/6210=4 HD2 LYS 109 - H SER 113 lone 6 83 - 7 - 5.2/6210=4 HG2 GLN 42 - H CYS 76 lone 5 90 - 6 - 5.2/1649=1, 3950/3.6=1 HB3 GLU 56 - H CYS 76 lone 5 89 - 6 - HG2 GLN 42 - H SER 113 lone 5 78 - 6 - 2843/4.6=3 HB2 LEU 45 - H CYS 76 lone 4 78 - 6 - 3962/4.3=1, 3950/3.6=1 HB3 LYS 46 - H SER 113 lone 4 62 - 7 - HB3 LYS 46 - H CYS 76 lone 4 73 - 5 - HB2 PRO 60 - H CYS 76 lone 3 63 - 5 - HD3 LYS 109 - H CYS 76 lone 3 97 - 3 - HD2 LYS 109 - H CYS 76 lone 3 95 - 3 - HB2 PRO 60 - H SER 113 lone 3 52 - 5 - HG3 ARG 71 - H SER 113 lone 2 73 - 3 - HB2 LEU 45 - H SER 113 lone 2 66 - 3 - Peak 359 from nnoeabs.peaks (1.45, 7.56, 117.77 ppm; 4.51 A): 1 out of 30 assignments used, quality = 1.00: * HB3 GLU 75 + H CYS 76 OK 100 100 - 100 - 4.3=100 HB3 GLU 75 - H SER 113 OK 28 92 - 31 - 4.0/1478=7, 3.0/5719=7...(6) HG3 ARG 57 - H CYS 76 OK 17 89 - 19 - 3951/3.6=3, 3957/4.3=3...(9) HG3 ARG 57 - H SER 113 OK 16 76 - 21 - 3.5/7926=4, 3323=2...(9) HB2 LEU 93 - H SER 113 OK 13 80 - 16 - ~8525=5, 3.1/7930=2...(4) QB ALA 89 - H SER 113 OK 13 87 - 15 - 2.9/576=3, 4357/4.6=2...(5) HB3 LEU 101 - H CYS 76 OK 13 97 - 13 - 3951/3.6=2, 3957/4.3=2...(5) HG LEU 24 - H CYS 76 OK 12 100 - 12 - 3.0/7323=2, 5.3/1649=2...(4) QB ALA 14 - H CYS 76 OK 12 92 - 13 - 6307/4.3=2, 6314/4.6=2...(4) HG3 LYS 31 - H CYS 76 OK 11 95 - 12 - 4.7/1479=2, 1131/4.6=2...(5) HG2 LYS 119 - H SER 113 OK 11 87 - 12 - 2.9/5200=1, 5220=1...(4) HB3 LEU 45 - H CYS 76 lone 10 100 - 10 - 3957/4.3=2, 3951/3.6=2 HD2 LYS 46 - H SER 113 poor 9 88 - 11 - 8574/3.6=1 HD2 LYS 46 - H CYS 76 lone 8 99 - 9 - 3957/4.3=1, 3951/3.6=1 HD3 LYS 65 - H CYS 76 lone 8 99 - 8 - 3951/3.6=2, 3957/4.3=2 HD2 LYS 65 - H CYS 76 lone 8 99 - 8 - 3951/3.6=2, 3957/4.3=2 HD3 LYS 65 - H SER 113 lone 8 89 - 9 - 5679/4.6=3, 3631/4.0=2 HD2 LYS 65 - H SER 113 lone 8 89 - 9 - 5679/4.6=3, 3631/4.0=2 HG3 LYS 31 - H SER 113 lone 8 83 - 9 - 3.8/1760=2, 3.8/1760=2 HB3 LEU 91 - H SER 113 poor 7 68 - 11 - 5790/4.6=3, 3.1/7930=2...(4) QB ALA 14 - H SER 113 lone 7 80 - 9 - 6315/4.6=2 HG LEU 24 - H SER 113 lone 7 92 - 7 - 3.0/7323=1 HB2 LEU 93 - H CYS 76 lone 7 92 - 7 - QB ALA 89 - H CYS 76 lone 6 97 - 6 - HB3 LEU 101 - H SER 113 lone 6 85 - 7 - HG2 LYS 119 - H CYS 76 lone 5 97 - 5 - HB3 LEU 91 - H CYS 76 lone 5 81 - 6 - HB3 LEU 45 - H SER 113 lone 5 92 - 5 - QB ALA 98 - H SER 113 lone 4 55 - 7 - 2.1/1350=1 QB ALA 98 - H CYS 76 lone 3 65 - 5 - Peak 360 from nnoeabs.peaks (1.81, 7.56, 117.77 ppm; 4.25 A): 9 out of 28 assignments used, quality = 0.83: HB3 ARG 57 + H CYS 76 OK 22 100 - 22 - 3952/3.6=3, 3964/4.3=3...(7) * HG2 GLU 75 + H CYS 76 OK 22 100 - 22 - 5.1/1478=13, 1.8/361=4 HG2 GLU 73 + H CYS 76 OK 20 71 - 29 - 4.1/6079=13, 4.9/1647=5...(7) HG2 GLU 75 + H SER 113 OK 20 92 - 22 - 3.6/5719=5, 5.1/1478=5...(5) HG3 GLU 73 + H CYS 76 OK 19 68 - 28 - 4.1/6079=13, 4.9/1647=5...(7) HB3 ARG 57 + H SER 113 OK 18 92 - 20 - 4.9/7926=3, 1.8/3299=2...(9) HB2 PRO 37 + H CYS 76 OK 16 65 - 24 - 3.9/1479=4, 3952/3.6=3...(10) HB3 GLN 105 + H CYS 76 OK 15 100 - 15 - 4.0/1649=2, ~7326=2...(9) HB2 LYS 32 + H CYS 76 OK 10 65 - 16 - 4.0/356=2, 3.0/7323=2...(8) HG13 ILE 63 - H CYS 76 lone 10 99 - 10 - 2.1/7129=1, 3952/3.6=1 HG3 ARG 53 - H CYS 76 poor 10 93 - 10 - 5.0/231=2 HB2 PRO 60 - H CYS 76 lone 9 97 - 9 - 3964/4.3=2, 3958/4.3=1...(4) HB2 GLU 69 - H CYS 76 poor 9 83 - 10 - 4.8/357=2, 3952/3.6=1...(5) HB2 LYS 32 - H SER 113 poor 8 55 - 15 - 3.0/7323=2, ~2506=2...(7) HG13 ILE 63 - H SER 113 lone 8 89 - 9 - 2.1/7129=2, 3.2/7124=2 HB3 GLU 56 - H SER 113 poor 8 68 - 12 - 3.0/1350=1, 3.0/5637=1...(5) HG3 ARG 53 - H SER 113 lone 8 81 - 9 - 5.0/231=2, 3154/4.5=1...(4) HG LEU 41 - H CYS 76 lone 7 85 - 8 - ~6756=1 HB2 PRO 60 - H SER 113 lone 6 87 - 7 - HB3 GLU 56 - H CYS 76 lone 6 81 - 8 - HB3 ARG 92 - H SER 113 lone 5 89 - 5 - 4430/4.6=2, 3.6/1516=1 HG2 GLU 73 - H SER 113 lone 5 59 - 8 - 4.1/6079=3, 4.9/1647=2 HB2 PRO 37 - H SER 113 lone 5 55 - 8 - 3.9/1479=1, 2.3/1350=1 HG3 GLU 73 - H SER 113 lone 4 57 - 8 - 4.1/6079=3, 4.9/1647=2 HB3 ARG 92 - H CYS 76 lone 4 99 - 4 - HG LEU 41 - H SER 113 lone 4 73 - 5 - 3.0/7929=1 HB3 GLN 105 - H SER 113 lone 4 90 - 4 - HB2 GLU 69 - H SER 113 lone 2 71 - 3 - Peak 361 from nnoeabs.peaks (0.70, 7.56, 117.77 ppm; 4.55 A): 7 out of 10 assignments used, quality = 0.94: QD1 LEU 77 + H CYS 76 OK 42 93 - 45 - 4.7/362=17, 2.1/7323=6...(10) QG1 VAL 66 + H CYS 76 OK 38 99 - 39 - 2.1/7197=6, 7203/4.6=6...(12) * HG3 GLU 75 + H CYS 76 OK 36 100 - 36 - 5.1/1478=16, 3.0/358=10...(5) QD2 LEU 54 + H CYS 76 OK 33 100 - 33 - 3953/3.6=5, 6980=4...(9) QD1 LEU 114 + H SER 113 OK 33 68 - 49 - 2.1/7957=12, 4.4/576=11...(10) QD1 LEU 114 + H CYS 76 OK 26 81 - 33 - 2.1/7957=6, 4.4/576=4...(11) HG3 GLU 75 + H SER 113 OK 25 92 - 27 - 3.6/5719=6, 5.1/1478=5...(5) QG1 VAL 66 - H SER 113 OK 24 89 - 27 - 2.1/7197=6, 3670/4.6=6...(4) QD2 LEU 54 - H SER 113 OK 16 91 - 18 - 2.1/6976=2, 6980=2...(5) QD1 LEU 77 - H SER 113 OK 13 81 - 16 - 4.7/362=5, 2.1/7323=2...(5) Peak 362 from nnoeabs.peaks (7.56, 8.51, 117.70 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.84: * H CYS 76 + H LEU 77 OK 73 100 - 73 - 4.6=53, 4.0/365=12...(10) H SER 113 + H LEU 77 OK 20 92 - 22 - 1479=5, 1656/4.5=4...(5) HE3 TRP 20 + H LEU 77 OK 14 93 - 15 - 2.5/7335=3, 3978/3.6=3...(6) H CYS 52 + H LEU 77 OK 11 99 - 12 - 3978/3.6=2, 3986/4.7=2...(5) Peak 363 from nnoeabs.peaks (4.36, 8.51, 117.70 ppm; 4.55 A): 1 out of 9 assignments used, quality = 1.00: * HA CYS 76 + H LEU 77 OK 100 100 - 100 - 3.6=100 HA PHE 40 - H LEU 77 OK 20 85 - 23 - 1655/4.5=5, 3.7/4673=3...(10) HA ASP 100 - H LEU 77 OK 18 99 - 18 - 3987/4.7=4, 3983/4.7=3...(5) HA GLN 105 - H LEU 77 OK 12 78 - 15 - 2.9/1480=4, 1655/4.5=2...(8) HB THR 116 - H LEU 77 OK 11 93 - 12 - 3.0/1139=2, 2.1/8171=2...(5) HA SER 35 - H LEU 77 poor 10 85 - 12 - 3.0/1653=2, 6655/5541=1...(5) HA MET 11 - H LEU 77 lone 5 98 - 5 - HB THR 17 - H LEU 77 lone 3 60 - 5 - HA LEU 93 - H LEU 77 lone 3 71 - 4 - Peak 364 from nnoeabs.peaks (2.82, 8.51, 117.70 ppm; 4.02 A): 3 out of 9 assignments used, quality = 0.86: * HB2 CYS 76 + H LEU 77 OK 80 100 - 80 - 4.7=65, 1.8/365=22...(7) HB2 ASN 79 + H LEU 77 OK 16 73 - 22 - 3.9/1661=5, 3980/3.6=5...(7) HB2 ASP 36 + H LEU 77 OK 14 78 - 18 - 4.8/5542=3, 1.8/8491=3...(5) HB2 ASN 99 - H LEU 77 poor 10 78 - 12 - 7348/4.7=4, 3988/4.7=3...(4) HB3 PHE 107 - H LEU 77 poor 10 71 - 14 - 1.8/365=4, 3980/3.6=2...(5) HB2 TYR 67 - H LEU 77 poor 9 83 - 11 - 3980/3.6=2, 1136/4.6=2...(4) HB3 TYR 67 - H LEU 77 poor 9 83 - 11 - 3980/3.6=2, 1136/4.6=2...(4) HB2 ASP 97 - H LEU 77 lone 2 63 - 3 - HB2 ASN 108 - H LEU 77 lone 2 71 - 2 - Peak 365 from nnoeabs.peaks (3.11, 8.51, 117.70 ppm; 3.95 A): 4 out of 8 assignments used, quality = 0.84: * HB3 CYS 76 + H LEU 77 OK 76 100 - 76 - 4.7=61, 1.8/364=20...(5) HB2 PHE 107 + H LEU 77 OK 13 100 - 13 - 3981/3.6=3, 3985/4.7=3...(5) HB3 CYS 52 + H LEU 77 OK 13 100 - 13 - 3117/4.6=3, 3981/3.6=2...(5) HB3 ASP 100 + H LEU 77 OK 10 100 - 10 - 3981/3.6=3, 3.0/363=2 HD3 ARG 81 - H LEU 77 lone 7 90 - 8 - 4.7/6133=2, ~6108=1 HD3 ARG 57 - H LEU 77 lone 7 97 - 7 - 3981/3.6=2, 3985/4.7=1 HD3 ARG 53 - H LEU 77 lone 5 85 - 6 - HB3 HIS 10 - H LEU 77 lone 1 60 - 1 - Peak 366 from nnoeabs.peaks (8.51, 8.07, 113.93 ppm; 3.56 A): 6 out of 8 assignments used, quality = 0.90: * H LEU 77 + H SER 78 OK 74 100 - 74 - 4.5=48, 1140/4.3=12...(10) H PHE 40 + H SER 78 OK 23 81 - 28 - 1582=6, 3.0/1655=4...(10) H GLU 38 + H SER 78 OK 22 97 - 23 - 1447=4, 3990/3.6=3...(7) H GLU 28 + H SER 78 OK 13 97 - 14 - 3990/3.6=2, 1661/4.6=2...(6) H LEU 84 + H SER 78 OK 13 93 - 14 - 1661/4.6=3, 4.6/1481=2...(5) H LYS 31 + H SER 78 OK 12 95 - 12 - 3990/3.6=2, 4.0/369=2...(4) H SER 13 - H SER 78 lone 4 98 - 4 - H GLY 2 - H SER 78 lone 1 78 - 1 - Peak 367 from nnoeabs.peaks (3.84, 8.07, 113.93 ppm; 4.07 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 77 + H SER 78 OK 100 100 - 100 - 3.6=100 HA GLU 15 - H SER 78 OK 11 96 - 11 - 6319/4.3=4, 1139/4.5=2 HA3 GLY 104 - H SER 78 OK 10 87 - 12 - 3.0/1507=3, 5849=2, 1.8/5848=2 HA THR 19 - H SER 78 lone 10 100 - 10 - 3998/4.3=2, 1139/4.5=2 HA THR 116 - H SER 78 lone 8 99 - 8 - 3.0/1655=2, 1139/4.5=1 HA LYS 119 - H SER 78 lone 7 100 - 7 - 1139/4.5=1, 3998/4.3=1 HA THR 33 - H SER 78 lone 7 76 - 9 - 3998/4.3=1, 1139/4.5=1 HA3 GLY 88 - H SER 78 lone 5 73 - 6 - 3.0/1481=1 HB THR 33 - H SER 78 lone 4 73 - 6 - HB2 SER 35 - H SER 78 lone 4 85 - 4 - 3.0/1655=1 HA2 GLY 88 - H SER 78 lone 4 63 - 6 - 3.0/1481=1 HB3 SER 29 - H SER 78 lone 2 71 - 3 - HB2 SER 29 - H SER 78 lone 2 68 - 3 - Peak 368 from nnoeabs.peaks (1.19, 8.07, 113.93 ppm; 3.95 A): 1 out of 5 assignments used, quality = 0.92: * HB2 LEU 77 + H SER 78 OK 92 100 - 92 - 4.3=79, 1.8/369=23...(8) HB3 LEU 24 - H SER 78 OK 22 63 - 34 - 2208=5, 1.8/2201=5...(10) QG2 VAL 18 - H SER 78 OK 20 92 - 22 - 3992/3.6=4, 1140/4.5=3...(4) HB3 LEU 111 - H SER 78 OK 17 76 - 22 - 3.0/1657=4, 3992/3.6=3...(7) HG2 LYS 32 - H SER 78 OK 12 71 - 17 - 3992/3.6=3, 1140/4.5=2...(4) Peak 369 from nnoeabs.peaks (1.71, 8.07, 113.93 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.94: * HB3 LEU 77 + H SER 78 OK 90 100 - 90 - 4.3=76, 1.8/368=21...(8) HB3 LEU 55 + H SER 78 OK 24 99 - 24 - 3993/3.6=6, 4000/4.3=5...(8) HB2 LYS 31 + H SER 78 OK 14 93 - 16 - 3993/3.6=4, 1141/4.5=4...(4) HG3 GLN 42 + H SER 78 OK 13 68 - 19 - 3.0/2827=3, 2851=3...(6) HB2 LEU 91 - H SER 78 lone 3 73 - 4 - 3993/3.6=1 HB3 ARG 71 - H SER 78 lone 3 87 - 3 - Peak 370 from nnoeabs.peaks (1.23, 8.07, 113.93 ppm; 4.05 A): 7 out of 8 assignments used, quality = 0.92: * HG LEU 77 + H SER 78 OK 71 100 - 71 - 3.0/369=19, 3.0/368=17...(9) HB3 LEU 24 + H SER 78 OK 38 92 - 42 - 2208=7, 1.8/2201=5...(12) HB3 LEU 111 + H SER 78 OK 18 83 - 21 - 3.0/1657=4, 3994/3.6=3...(8) HG13 ILE 124 + H SER 78 OK 17 99 - 17 - 5363/3.9=2, 5363/2.9=1...(5) HG2 LYS 32 + H SER 78 OK 16 87 - 18 - 3994/3.6=3, 4001/4.3=3...(4) HG3 LYS 32 + H SER 78 OK 12 65 - 18 - 3994/3.6=3, 1.8/368=3...(5) QG2 VAL 18 + H SER 78 OK 10 63 - 16 - 6361/3.6=2, 4001/4.3=1 QG2 THR 19 - H SER 78 lone 6 73 - 8 - 3.2/367=2, 3994/3.6=1 Peak 371 from nnoeabs.peaks (0.57, 8.07, 113.93 ppm; 4.82 A): 4 out of 4 assignments used, quality = 0.91: * QD2 LEU 77 + H SER 78 OK 83 100 - 83 - 3995/3.6=26, 3.1/369=24...(10) QG1 VAL 50 + H SER 78 OK 26 99 - 26 - 3995/3.6=7, 1143/4.5=6...(5) HG12 ILE 34 + H SER 78 OK 16 78 - 21 - 3995/3.6=4, 3.2/6621=4...(5) QD2 LEU 45 + H SER 78 OK 13 87 - 15 - 3995/3.6=3, 4002/4.3=3...(4) Peak 372 from nnoeabs.peaks (0.69, 8.07, 113.93 ppm; 4.28 A): 5 out of 5 assignments used, quality = 0.90: * QD1 LEU 77 + H SER 78 OK 71 100 - 71 - 3.1/369=20, 3.1/368=18...(8) HG3 GLU 75 + H SER 78 OK 29 93 - 31 - 3.6/1657=12, 1144/4.5=4...(7) QD2 LEU 24 + H SER 78 OK 28 68 - 41 - 3.1/370=7, 2.1/2215=5...(11) QG1 VAL 66 + H SER 78 OK 20 99 - 20 - 3996/3.6=3, 1144/4.5=3...(6) QD2 LEU 54 + H SER 78 OK 17 87 - 19 - 3996/3.6=3, 1144/4.5=3...(5) Peak 373 from nnoeabs.peaks (8.07, 7.84, 119.43 ppm; 3.43 A): 4 out of 6 assignments used, quality = 0.76: * H SER 78 + H ASN 79 OK 61 100 - 61 - 4.6=40, 4040/4.5=11...(8) H LEU 24 + H ASN 79 OK 17 92 - 19 - 1439=5, 3.0/5487=2...(9) H GLY 39 + H ASN 79 OK 15 76 - 20 - 2.9/1663=4, 4032/3.6=2...(9) H GLN 105 + H ASN 79 OK 12 92 - 13 - 2.9/1662=3, 4.0/8674=2 H GLN 42 - H ASN 79 lone 8 85 - 10 - 1666/4.7=2 H THR 33 - H ASN 79 poor 8 63 - 12 - 4.6/1153=2, 128/5.6=1...(5) Peak 374 from nnoeabs.peaks (4.17, 7.84, 119.43 ppm; 3.62 A): 1 out of 12 assignments used, quality = 1.00: * HA SER 78 + H ASN 79 OK 100 100 - 100 - 3.6=100 HA PHE 83 - H ASN 79 OK 30 83 - 36 - 4190=7, 3.6/404=4...(13) HB2 SER 113 - H ASN 79 OK 15 92 - 17 - 1.8/375=5, 4037/4.5=3...(6) HA GLU 28 - H ASN 79 lone 9 97 - 9 - 3.0/1661=3 HA GLU 56 - H ASN 79 lone 7 100 - 7 - 7437/1664=1 HA PRO 37 - H ASN 79 lone 6 71 - 9 - 3.6/1661=2, 5996/4.6=1 HA ILE 124 - H ASN 79 lone 6 65 - 9 - 5733=1 HA PRO 68 - H ASN 79 lone 4 85 - 4 - HA ASN 108 - H ASN 79 lone 3 71 - 4 - HB3 SER 72 - H ASN 79 lone 3 60 - 5 - 7281/4.7=1 HA ARG 92 - H ASN 79 lone 2 87 - 2 - HA3 GLY 61 - H ASN 79 lone 1 68 - 1 - Peak 375 from nnoeabs.peaks (4.30, 7.84, 119.43 ppm; 3.52 A): 4 out of 8 assignments used, quality = 0.77: * HB2 SER 78 + H ASN 79 OK 64 100 - 64 - 4.5=48, 1.8/5735=16...(6) HA LEU 114 + H ASN 79 OK 17 100 - 17 - 5892/4.7=4, 3.6/1482=4...(6) HB3 SER 113 + H ASN 79 OK 14 100 - 14 - 4034/3.6=3, 4042/4.5=3...(5) HA LYS 65 + H ASN 79 OK 12 98 - 12 - 3.0/7378=4, 4034/3.6=2...(4) HA GLN 103 - H ASN 79 lone 4 71 - 6 - 7766/4.6=1, ~1738=1 HA GLU 94 - H ASN 79 lone 4 60 - 6 - 3.6/1482=3 HA ALA 122 - H ASN 79 lone 1 60 - 1 - HB THR 17 - H ASN 79 lone 1 60 - 1 - Peak 376 from nnoeabs.peaks (4.13, 7.84, 119.43 ppm; 3.61 A): 5 out of 12 assignments used, quality = 0.87: * HB3 SER 78 + H ASN 79 OK 75 100 - 75 - 4.5=52, 1.8/375=21...(7) HA PHE 83 + H ASN 79 OK 26 81 - 32 - 4190=6, 3.6/404=4...(11) HA ALA 98 + H ASN 79 OK 12 97 - 12 - 3.6/1265=4, 2.1/8662=3 HA ILE 63 + H ASN 79 OK 11 97 - 11 - 4.2/7128=3, ~6119=1 HA3 GLY 25 + H ASN 79 OK 11 95 - 11 - 2239=2, 3.6/90=2...(5) HA PRO 37 - H ASN 79 poor 9 90 - 10 - 3.6/1661=2, 5996/4.6=2 HB2 SER 113 - H ASN 79 poor 9 68 - 13 - 1.8/375=5, 5051/4.5=2...(5) HA LEU 24 - H ASN 79 poor 8 60 - 13 - 3.0/373=4, 5487=2...(5) HA ILE 124 - H ASN 79 lone 7 93 - 7 - HB3 SER 72 - H ASN 79 lone 6 96 - 7 - 7281/4.7=2 HA ASN 108 - H ASN 79 lone 4 90 - 5 - HA ARG 57 - H ASN 79 lone 4 95 - 4 - Peak 377 from nnoeabs.peaks (7.84, 8.37, 119.47 ppm; 3.75 A): 3 out of 6 assignments used, quality = 0.93: * H ASN 79 + H ILE 80 OK 81 100 - 81 - 4.7=52, 1664/4.7=14...(14) H PHE 83 + H ILE 80 OK 56 99 - 57 - 1681/4.7=13, 1682/3.0=12...(11) HD21 ASN 99 + H ILE 80 OK 21 97 - 22 - 4044/3.5=5, 4056/4.5=3...(7) H GLY 88 - H ILE 80 poor 10 78 - 13 - 6126/3.0=2, 4.8/7406=2...(5) H GLY 25 - H ILE 80 lone 5 81 - 7 - 4.7/1666=1 HD21 ASN 106 - H ILE 80 lone 1 63 - 1 - Peak 378 from nnoeabs.peaks (4.55, 8.37, 119.47 ppm; 4.71 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 79 + H ILE 80 OK 100 100 - 100 - 3.5=100 HA GLU 82 + H ILE 80 OK 57 100 - 57 - 2.9/1676=24, 3.6/377=12...(9) HA THR 95 - H ILE 80 OK 36 100 - 36 - 4544/4.5=7, 3.0/380=6...(10) HA ASN 99 - H ILE 80 OK 31 97 - 32 - 4.5/7406=5, 3.0/379=4...(10) HA LEU 27 - H ILE 80 OK 11 97 - 12 - ~7422=3, 1150/4.7=2...(4) HB THR 121 - H ILE 80 lone 5 93 - 5 - Peak 379 from nnoeabs.peaks (2.84, 8.37, 119.47 ppm; 4.08 A): 4 out of 10 assignments used, quality = 0.94: * HB2 ASN 79 + H ILE 80 OK 86 100 - 86 - 4.5=74, 3.9/1482=17...(9) HB3 TYR 67 + H ILE 80 OK 25 100 - 25 - 4046/3.5=5, 4058/4.5=4...(8) HB2 TYR 67 + H ILE 80 OK 25 100 - 25 - 4046/3.5=5, 4058/4.5=4...(8) HB2 ASN 99 + H ILE 80 OK 24 100 - 24 - 4621/3.5=5, 4624/4.7=4...(7) HB2 CYS 76 - H ILE 80 OK 17 73 - 23 - 3.0/6105=10, 7416/4.9=3...(7) HE3 LYS 119 - H ILE 80 OK 13 85 - 16 - 7427/3.0=3, ~7427=3...(6) HE2 LYS 119 - H ILE 80 OK 13 83 - 16 - 7427/3.0=3, ~7427=3...(6) HB3 PHE 107 - H ILE 80 lone 9 100 - 9 - 7416/4.9=2, 7427/3.0=2 HB2 ASP 36 - H ILE 80 lone 5 100 - 5 - 7416/4.9=2 HG CYS 52 - H ILE 80 lone 4 98 - 4 - Peak 380 from nnoeabs.peaks (3.88, 8.37, 119.47 ppm; 3.99 A): 4 out of 14 assignments used, quality = 0.92: * HB3 ASN 79 + H ILE 80 OK 82 100 - 82 - 4.5=69, 3.9/1482=16...(7) HB THR 95 + H ILE 80 OK 29 99 - 29 - 4547/3.5=7, 4546=5...(9) HB3 SER 112 + H ILE 80 OK 23 99 - 23 - 3.0/6226=8, 3.9/7925=6...(6) HB2 SER 112 + H ILE 80 OK 23 98 - 23 - 3.0/6226=8, 3.9/7925=6...(6) HA ARG 53 - H ILE 80 lone 6 100 - 6 - 4047/3.5=1 HA THR 33 - H ILE 80 lone 6 76 - 8 - 2.9/1666=2, 4047/3.5=1 HD2 PRO 68 - H ILE 80 lone 5 60 - 9 - 4.8/379=2, 4.8/379=2 HB THR 33 - H ILE 80 lone 5 78 - 6 - 4.0/1666=2 HB2 SER 13 - H ILE 80 lone 4 95 - 4 - HA3 GLY 104 - H ILE 80 lone 3 63 - 4 - 3.6/1666=2 HB2 SER 35 - H ILE 80 lone 2 65 - 2 - HA ILE 34 - H ILE 80 lone 2 83 - 2 - HA2 GLY 2 - H ILE 80 lone 1 83 - 1 - HA3 GLY 2 - H ILE 80 lone 1 83 - 1 - Peak 381 from nnoeabs.peaks (7.41, 8.37, 119.47 ppm; 5.39 A): 5 out of 6 assignments used, quality = 0.93: * HD21 ASN 79 + H ILE 80 OK 63 100 - 63 - 5.6/1482=18, 3.5/380=18...(8) H PHE 96 + H ILE 80 OK 40 95 - 43 - 472/3.5=8, 473/4.5=7...(9) H GLU 75 + H ILE 80 OK 36 97 - 37 - 4048/3.5=7, 7306/4.5=6...(8) H LYS 32 + H ILE 80 OK 34 99 - 35 - 906/4.0=5, 906/4.9=4...(10) H SER 72 + H ILE 80 OK 20 95 - 21 - 3.9/7282=7, 3.9/7281=5...(7) HE21 GLN 105 - H ILE 80 poor 9 81 - 11 - 6.3/1666=2, 1153/4.7=2...(5) Peak 383 from nnoeabs.peaks (8.37, 9.06, 117.40 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.93: * H ILE 80 + H ARG 81 OK 88 100 - 88 - 4.7=62, 3.9/5740=23...(14) H VAL 115 + H ARG 81 OK 35 99 - 35 - 4062/3.6=9, 4076/4.4=7...(9) H SER 74 + H ARG 81 OK 10 63 - 17 - 4.2/4112=5, 4.2/387=2...(7) H THR 95 - H ARG 81 lone 7 71 - 10 - 4062/3.6=2, 1482/1664=2...(6) Peak 384 from nnoeabs.peaks (3.64, 9.06, 117.40 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 80 + H ARG 81 OK 100 100 - 100 - 3.6=100 HA VAL 115 - H ARG 81 OK 33 85 - 39 - 3.0/383=10, 5098/4.7=9...(8) HA LYS 46 - H ARG 81 OK 22 100 - 22 - 8585/4.4=8, 4070/4.4=4...(4) HA LEU 41 - H ARG 81 OK 15 99 - 15 - 4070/4.4=3, 4077/4.4=3...(5) HA LEU 111 - H ARG 81 OK 10 60 - 17 - 6224/4.7=4, 4.3/7431=3...(6) HD2 PRO 70 - H ARG 81 poor 10 71 - 14 - 4070/4.4=2, 4077/4.4=2...(5) Peak 385 from nnoeabs.peaks (1.92, 9.06, 117.40 ppm; 3.29 A): 3 out of 18 assignments used, quality = 0.96: HB2 ARG 81 + H ARG 81 OK 77 93 - 83 - 4.0=56, 4.3/390=16...(13) * HB ILE 80 + H ARG 81 OK 73 100 - 73 - 4.4=41, 3.9/1483=17...(13) HB2 LEU 84 + H ARG 81 OK 38 85 - 45 - ~6136=7, 6135/2.9=6...(17) HB3 GLU 73 - H ARG 81 OK 23 97 - 24 - 4112=7, 4113/2.9=3...(8) HB3 LYS 119 - H ARG 81 poor 10 81 - 12 - 3.0/1673=2, 8456/4.4=1, ~6136=1 HB ILE 22 - H ARG 81 lone 8 95 - 9 - 6432/4.4=2 HB2 LEU 21 - H ARG 81 lone 6 100 - 6 - 4078/4.4=1, 4064/3.6=1 HB2 GLU 28 - H ARG 81 lone 5 87 - 6 - 3.0/7437=1 HG LEU 58 - H ARG 81 lone 5 97 - 6 - 4078/4.4=1, 4064/3.6=1 HB3 GLU 69 - H ARG 81 lone 4 81 - 5 - 3.0/387=1 HB3 GLU 64 - H ARG 81 lone 4 95 - 4 - HB2 GLU 64 - H ARG 81 lone 4 92 - 4 - HB2 GLU 38 - H ARG 81 lone 3 85 - 4 - HB3 PRO 30 - H ARG 81 lone 3 71 - 4 - HB2 LYS 109 - H ARG 81 lone 2 92 - 3 - HB3 MET 11 - H ARG 81 lone 2 99 - 2 - HB2 ARG 85 - H ARG 81 lone 1 71 - 2 - HB3 ARG 85 - H ARG 81 lone 1 71 - 2 - Peak 386 from nnoeabs.peaks (1.27, 9.06, 117.40 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.99: * QG2 ILE 80 + H ARG 81 OK 94 100 - 94 - 4.4=74, 2.1/5740=33...(15) QD1 ILE 80 + H ARG 81 OK 78 100 - 78 - 5744=30, 3.2/5740=27...(18) QG2 THR 116 - H ARG 81 OK 24 100 - 24 - 8605/2.9=5, 3.2/1673=3...(8) QG2 THR 19 - H ARG 81 OK 13 97 - 13 - 6376/4.4=3, 4065/3.6=3...(4) HG LEU 54 - H ARG 81 lone 6 92 - 7 - 4075/4.4=2, 4068/3.6=2 HG3 LYS 32 - H ARG 81 lone 6 99 - 6 - 4065/3.6=1 HG13 ILE 124 - H ARG 81 lone 5 63 - 8 - 4.0/8658=2 Peak 387 from nnoeabs.peaks (2.16, 9.06, 117.40 ppm; 5.12 A): 3 out of 7 assignments used, quality = 0.94: * HG12 ILE 80 + H ARG 81 OK 90 100 - 90 - 2.1/5744=43, 3.0/5740=42...(14) HB VAL 115 + H ARG 81 OK 26 68 - 38 - 4.0/383=9, 5103/4.7=8...(8) HB2 GLU 73 + H ARG 81 OK 25 65 - 38 - 1.8/4112=11, ~4113=4...(14) HG2 GLU 69 - H ARG 81 OK 19 93 - 20 - 4080/4.4=4, 4073/4.4=4...(6) HB3 GLU 15 - H ARG 81 OK 17 68 - 26 - 3.0/1673=5, 4.6/1484=4...(9) HB VAL 49 - H ARG 81 OK 10 73 - 14 - 4080/4.4=2, 4073/4.4=2...(6) HB2 PRO 30 - H ARG 81 poor 9 65 - 13 - 4080/4.4=2, 4073/4.4=2...(6) Peak 389 from nnoeabs.peaks (1.27, 9.06, 117.40 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 80 + H ARG 81 OK 94 100 - 94 - 4.4=74, 2.1/5740=33...(15) * QD1 ILE 80 + H ARG 81 OK 78 100 - 78 - 5744=30, 3.2/5740=27...(18) QG2 THR 116 - H ARG 81 OK 24 100 - 24 - 8605/2.9=5, 3.2/1673=3...(8) QG2 THR 19 - H ARG 81 OK 13 97 - 13 - 6376/4.4=3, 4065/3.6=3...(4) HG LEU 54 - H ARG 81 lone 6 93 - 7 - 4075/4.4=2, 4068/3.6=2 HG3 LYS 32 - H ARG 81 lone 6 99 - 6 - 4065/3.6=1 HG13 ILE 124 - H ARG 81 lone 5 60 - 8 - 4.0/8658=2 Peak 390 from nnoeabs.peaks (9.06, 8.45, 124.13 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.77: * H ARG 81 + H GLU 82 OK 77 100 - 77 - 4.6=48, 4112/4.3=15...(13) Peak 391 from nnoeabs.peaks (3.99, 8.45, 124.13 ppm; 4.64 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 81 + H GLU 82 OK 100 100 - 100 - 3.6=100 HA THR 62 - H GLU 82 OK 42 100 - 42 - 5660=11, 3.0/1469=9...(8) HA PHE 107 - H GLU 82 OK 14 93 - 15 - 4113/4.3=4, 1163/4.6=4...(4) HA LEU 117 - H GLU 82 OK 13 100 - 13 - 1163/4.6=3, 4113/4.3=2 HA ALA 14 - H GLU 82 poor 8 60 - 13 - 3.6/1430=7 Peak 392 from nnoeabs.peaks (1.91, 8.45, 124.13 ppm; 3.93 A): 3 out of 17 assignments used, quality = 0.96: * HB2 ARG 81 + H GLU 82 OK 88 100 - 88 - 4.3=78, 4.0/390=25...(7) HB ILE 80 + H GLU 82 OK 51 93 - 54 - 4.4/390=22, 3.9/1669=14...(10) HB2 LEU 84 + H GLU 82 OK 35 100 - 35 - 4.0/1686=11, 6135/3.6=9...(7) HG LEU 84 - H GLU 82 OK 24 83 - 29 - 5.2/1686=8, 2.1/7456=6...(7) HB3 GLU 73 - H GLU 82 OK 16 100 - 16 - 4112/4.6=4, 4113/3.6=3...(4) HB3 GLU 64 - H GLU 82 OK 14 65 - 22 - 4.0/292=6, 4.6/7160=5...(7) HB2 GLU 64 - H GLU 82 OK 13 60 - 22 - 4.0/292=6, 4.6/7160=5...(7) HB VAL 50 - H GLU 82 poor 9 76 - 12 - ~6924=2, 2.1/5604=2...(6) HB ILE 22 - H GLU 82 lone 9 100 - 9 - 2.1/7457=1, 7463/4.6=1 HB2 GLU 28 - H GLU 82 lone 8 100 - 8 - 3.0/1678=2, 7463/4.6=1 HB2 LEU 21 - H GLU 82 lone 5 87 - 6 - HB2 LYS 119 - H GLU 82 lone 4 76 - 5 - 6134/3.6=1 HG LEU 58 - H GLU 82 lone 3 73 - 5 - HG LEU 55 - H GLU 82 lone 3 73 - 4 - 2.1/7457=2 HB3 LYS 31 - H GLU 82 lone 2 76 - 3 - HB2 LYS 109 - H GLU 82 lone 2 60 - 3 - HB3 MET 11 - H GLU 82 lone 2 99 - 2 - Peak 393 from nnoeabs.peaks (2.05, 8.45, 124.13 ppm; 4.20 A): 2 out of 13 assignments used, quality = 0.99: * HB3 ARG 81 + H GLU 82 OK 98 100 - 98 - 4.3=95, 4.0/390=28...(5) HB ILE 63 + H GLU 82 OK 59 96 - 62 - 2.1/3512=13, 3505=10...(13) HB2 GLU 56 - H GLU 82 OK 27 96 - 28 - 3.0/8302=8, 3.0/8303=4...(6) HG3 PRO 70 - H GLU 82 OK 26 97 - 27 - 3834/3.7=4, 3834/3.7=4...(10) HG2 GLU 64 - H GLU 82 OK 14 83 - 16 - 5.0/292=5, 3505=2...(6) HB2 ARG 57 - H GLU 82 OK 11 83 - 14 - 4107/3.6=4, 4115/4.3=4 HB2 GLN 16 - H GLU 82 OK 10 65 - 15 - 3.0/1966=3, 3.0/1934=3...(6) HB3 GLN 16 - H GLU 82 poor 10 63 - 15 - 3.0/1966=3, 3.0/1934=3...(6) HG3 PRO 60 - H GLU 82 lone 9 99 - 9 - HB3 GLU 38 - H GLU 82 lone 8 99 - 8 - HG3 PRO 37 - H GLU 82 lone 8 100 - 8 - 6701/1430=1 HB2 LEU 114 - H GLU 82 lone 5 57 - 8 - 4.6/1676=3, 5893/1676=1 HB2 GLN 105 - H GLU 82 lone 2 71 - 3 - Peak 396 from nnoeabs.peaks (3.20, 8.45, 124.13 ppm; 5.13 A): 5 out of 7 assignments used, quality = 0.90: * HD2 ARG 81 + H GLU 82 OK 58 100 - 59 - 5.9/390=25, 3.5/393=13...(8) HB3 PHE 83 + H GLU 82 OK 57 99 - 58 - 4.0/398=23, 4.5/1686=17...(10) HD3 ARG 71 + H GLU 82 OK 19 92 - 20 - 4110/3.6=5, 4118/4.3=5...(5) HD2 ARG 71 + H GLU 82 OK 16 83 - 19 - 4110/3.6=5, 4118/4.3=4...(5) HA GLN 42 + H GLU 82 OK 15 96 - 16 - 4110/3.6=3, 1179/4.6=2...(6) HD2 ARG 53 - H GLU 82 poor 7 71 - 10 - 8647/3533=1, 4144/4.6=1...(5) HB3 TRP 20 - H GLU 82 lone 5 76 - 6 - Peak 398 from nnoeabs.peaks (8.45, 7.84, 121.12 ppm; 3.54 A): 3 out of 4 assignments used, quality = 0.83: * H GLU 82 + H PHE 83 OK 72 100 - 72 - 4.6=45, 4.6/1681=12...(13) H ILE 63 + H PHE 83 OK 30 98 - 31 - 5.0/7128=6, 4.0/7466=4...(10) H GLN 16 + H PHE 83 OK 12 100 - 12 - 4160/3.6=2, 4.6/1684=2 H LEU 51 - H PHE 83 lone 7 73 - 10 - 4.8/7467=3, 1686/4.6=1 Peak 399 from nnoeabs.peaks (4.54, 7.84, 121.12 ppm; 4.33 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 82 + H PHE 83 OK 100 100 - 100 - 3.6=100 HA ASN 79 + H PHE 83 OK 67 100 - 67 - 6119/4.6=14, 6124=14...(15) HA ASN 99 - H PHE 83 OK 22 96 - 23 - 4.5/8662=4, 3.0/7470=3...(8) HA LEU 27 - H PHE 83 OK 21 98 - 22 - 3.6/1486=5, 4.0/7465=3...(6) HA THR 95 - H PHE 83 OK 19 100 - 19 - 3.2/8380=5, 1685/4.6=4...(4) HB THR 121 - H PHE 83 lone 4 90 - 4 - Peak 400 from nnoeabs.peaks (2.34, 7.84, 121.12 ppm; 3.66 A): 2 out of 9 assignments used, quality = 0.93: HB3 GLU 82 + H PHE 83 OK 74 100 - 74 - 4.3=63, 3.7/398=14...(5) * HB2 GLU 82 + H PHE 83 OK 74 100 - 74 - 4.3=63, 3.7/398=14...(5) HG2 PRO 70 - H PHE 83 lone 9 98 - 10 - 4162/3.6=2, 2.3/1682=2 HG3 GLU 56 - H PHE 83 lone 6 73 - 8 - 8303/4.6=2 HB2 LEU 54 - H PHE 83 lone 5 98 - 5 - 3.0/7464=1 HG2 GLU 15 - H PHE 83 lone 4 63 - 6 - 4.6/1684=2, 5447/4.6=2 HB VAL 18 - H PHE 83 lone 4 87 - 4 - ~8392=1 HB3 PRO 60 - H PHE 83 lone 2 83 - 3 - HB3 ASN 118 - H PHE 83 lone 2 95 - 2 - Peak 401 from nnoeabs.peaks (2.34, 7.84, 121.12 ppm; 3.66 A): 2 out of 9 assignments used, quality = 0.93: * HB3 GLU 82 + H PHE 83 OK 74 100 - 74 - 4.3=63, 3.7/398=14...(5) HB2 GLU 82 + H PHE 83 OK 74 100 - 74 - 4.3=63, 3.7/398=14...(5) HG2 PRO 70 - H PHE 83 lone 9 98 - 10 - 4162/3.6=2, 2.3/1682=2 HG3 GLU 56 - H PHE 83 lone 6 73 - 8 - 8303/4.6=2 HB2 LEU 54 - H PHE 83 lone 5 98 - 5 - 3.0/7464=1 HG2 GLU 15 - H PHE 83 lone 4 63 - 6 - 4.6/1684=2, 5447/4.6=2 HB VAL 18 - H PHE 83 lone 4 87 - 4 - ~8392=1 HB3 PRO 60 - H PHE 83 lone 2 83 - 3 - HB3 ASN 118 - H PHE 83 lone 2 95 - 2 - Peak 402 from nnoeabs.peaks (2.52, 7.84, 121.12 ppm; 5.14 A): 2 out of 3 assignments used, quality = 0.73: * HG2 GLU 82 + H PHE 83 OK 62 100 - 62 - 1174/4.6=21, 3.0/400=19...(10) HG3 GLN 103 + H PHE 83 OK 29 100 - 29 - 7775/3.6=13, 1174/4.6=8...(5) HE3 LYS 46 - H PHE 83 lone 7 81 - 9 - 4164/3.6=2, 6.1/1682=2 Peak 404 from nnoeabs.peaks (7.84, 8.49, 120.20 ppm; 3.82 A): 3 out of 5 assignments used, quality = 0.93: * H PHE 83 + H LEU 84 OK 84 100 - 85 - 4.6=56, 1179/4.5=13...(15) H GLY 88 + H LEU 84 OK 33 93 - 35 - 1709/2.9=10, 4190/3.6=4...(11) H ASN 79 + H LEU 84 OK 31 99 - 31 - 1661=5, 4190/3.6=5...(11) HD21 ASN 99 - H LEU 84 lone 6 85 - 8 - 4.4/6179=2, 4190/3.6=1 H GLY 25 - H LEU 84 lone 4 60 - 6 - 6481/4.7=2, 6481/1487=1 Peak 405 from nnoeabs.peaks (4.15, 8.49, 120.20 ppm; 4.47 A): 1 out of 12 assignments used, quality = 1.00: * HA PHE 83 + H LEU 84 OK 100 100 - 100 - 3.6=100 HA GLU 28 - H LEU 84 OK 38 97 - 39 - 2304=7, 3.0/2310=6...(16) HA PRO 37 - H LEU 84 OK 30 100 - 31 - 5997=6, 6699/4.6=4...(11) HA ILE 63 - H LEU 84 OK 29 97 - 30 - 3.0/1686=9, 3.2/1189=5...(10) HA ALA 98 - H LEU 84 OK 28 97 - 29 - 7670/4.6=6, 7488/4.6=5...(9) HA SER 78 - H LEU 84 OK 18 83 - 22 - 3.6/404=6, 5733/4.6=3...(6) HB2 SER 113 - H LEU 84 OK 16 100 - 16 - 7934/4.6=6, 7933/4.6=3 HB3 SER 78 - H LEU 84 OK 15 81 - 19 - 4.5/404=5, 5735/4.6=3...(6) HA ILE 124 - H LEU 84 OK 12 99 - 12 - 1177/4.6=1, 4198/4.5=1...(4) HA ASN 108 - H LEU 84 lone 9 100 - 9 - 7670/4.6=1, 6177=1 HA GLU 56 - H LEU 84 lone 6 81 - 8 - 8302/1686=2, 8302/1686=1 HB3 SER 72 - H LEU 84 lone 3 98 - 3 - Peak 406 from nnoeabs.peaks (3.52, 8.49, 120.20 ppm; 3.45 A): 2 out of 5 assignments used, quality = 0.97: HA LEU 84 + H LEU 84 OK 90 90 - 100 - 2.9=100 * HB2 PHE 83 + H LEU 84 OK 72 100 - 72 - 4.5=43, 1.8/407=14...(14) HB2 PHE 96 - H LEU 84 OK 33 100 - 33 - 7637/4.6=5, 7633/4.0=4...(13) HB3 SER 44 - H LEU 84 lone 8 85 - 10 - ~2872=1 HB2 ASP 47 - H LEU 84 lone 1 68 - 1 - Peak 407 from nnoeabs.peaks (3.21, 8.49, 120.20 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.95: * HB3 PHE 83 + H LEU 84 OK 92 100 - 92 - 4.5=82, 2.5/410=17...(10) HD2 ARG 81 + H LEU 84 OK 37 99 - 37 - 4.7/6133=12, 4193/3.6=6...(10) HA GLN 42 - H LEU 84 OK 12 100 - 12 - 4193/3.6=3, 4200/4.5=2 HD2 ARG 71 - H LEU 84 lone 8 96 - 9 - 4193/3.6=2, 4200/4.5=1 HD3 ARG 71 - H LEU 84 lone 6 76 - 8 - 4193/3.6=1 HB3 TRP 20 - H LEU 84 lone 5 92 - 5 - Peak 410 from nnoeabs.peaks (7.11, 8.49, 120.20 ppm; 4.21 A): 2 out of 5 assignments used, quality = 0.96: * QD PHE 83 + H LEU 84 OK 91 100 - 91 - 4.6=78, 2.5/407=19...(9) QD PHE 40 + H LEU 84 OK 54 99 - 55 - 4673=9, 4196/3.6=7...(13) H LEU 93 - H LEU 84 OK 23 78 - 29 - 7475/2.9=5, 7479/4.6=5...(11) HE ARG 92 - H LEU 84 OK 14 99 - 14 - 7475/2.9=2, 7479/4.6=2...(7) HE ARG 53 - H LEU 84 lone 6 76 - 8 - 4196/3.6=1 Peak 411 from nnoeabs.peaks (8.49, 8.75, 122.77 ppm; 3.68 A): 4 out of 9 assignments used, quality = 0.85: * H LEU 84 + H ARG 85 OK 73 100 - 73 - 4.7=50, 1186/4.3=8...(11) H GLU 28 + H ARG 85 OK 22 100 - 22 - 3.6/1692=4, 4232/3.6=3...(7) H PHE 40 + H ARG 85 OK 17 99 - 17 - 4.6/1488=3, 1696/4.7=2...(9) H LYS 31 + H ARG 85 OK 10 100 - 10 - 4232/3.6=2, 4246/4.3=1 H LEU 77 - H ARG 85 lone 9 93 - 10 - 1652/3.0=2, 4232/3.6=1 H TYR 102 - H ARG 85 lone 8 89 - 9 - 4232/3.6=1, 4246/4.3=1 H SER 13 - H ARG 85 lone 6 100 - 6 - 4.6/1429=1 H GLU 38 - H ARG 85 lone 6 71 - 9 - 1696/4.7=1, 928/4.0=1...(4) H GLY 2 - H ARG 85 lone 3 99 - 3 - Peak 412 from nnoeabs.peaks (3.50, 8.75, 122.77 ppm; 4.27 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 84 + H ARG 85 OK 100 100 - 100 - 3.6=100 HB2 PHE 83 - H ARG 85 OK 35 90 - 39 - 4.5/1487=14, 4.0/1684=12...(8) HB2 PHE 96 - H ARG 85 OK 21 92 - 23 - 7633/4.3=6, 4247/4.3=6...(7) HA VAL 18 - H ARG 85 OK 19 81 - 24 - 7494/3.0=4, 6357/4.3=3...(8) HB3 SER 44 - H ARG 85 OK 11 100 - 11 - 7494/3.0=2, 1695/4.7=2...(5) Peak 413 from nnoeabs.peaks (1.90, 8.75, 122.77 ppm; 3.31 A): 5 out of 15 assignments used, quality = 0.89: * HB2 LEU 84 + H ARG 85 OK 66 100 - 66 - 4.3=45, 1.8/414=11...(7) HB ILE 22 + H ARG 85 OK 34 99 - 34 - 5479=8, 2.1/5480=7...(8) HG LEU 84 + H ARG 85 OK 34 92 - 37 - 2.1/416=9, 3.0/414=8...(7) HB2 ARG 81 + H ARG 85 OK 17 100 - 18 - 3.0/6138=9, 4234/3.6=2...(4) HB2 LEU 21 + H ARG 85 OK 12 76 - 16 - 4.6/1437=5, 3.8/1562=3...(5) HB2 GLU 28 - H ARG 85 lone 9 100 - 9 - 3.8/411=3, 2310/4.7=2 HB2 LYS 119 - H ARG 85 lone 7 87 - 9 - 1.8/1192=1, 2.9/414=1 HB ILE 80 - H ARG 85 lone 6 85 - 7 - 4248/4.3=1, 4234/3.6=1 HB3 LYS 31 - H ARG 85 lone 4 87 - 5 - 4.0/411=1 HG LEU 55 - H ARG 85 lone 3 85 - 3 - HB3 GLU 73 - H ARG 85 lone 3 99 - 3 - HG LEU 58 - H ARG 85 lone 2 60 - 4 - 3.0/1194=1 HB2 ARG 92 - H ARG 85 lone 2 65 - 4 - HB VAL 50 - H ARG 85 lone 2 87 - 2 - HB3 MET 11 - H ARG 85 lone 1 95 - 1 - Peak 414 from nnoeabs.peaks (1.31, 8.75, 122.77 ppm; 4.03 A): 2 out of 9 assignments used, quality = 0.96: * HB3 LEU 84 + H ARG 85 OK 91 100 - 92 - 4.3=82, 1.8/413=15...(8) QG2 THR 23 + H ARG 85 OK 54 99 - 55 - 2190=16, 2.1/2186=11...(15) HG CYS 87 - H ARG 85 OK 22 100 - 22 - 5.6/1701=7, 4235/3.6=6...(5) QG2 THR 17 - H ARG 85 OK 15 85 - 17 - 6340/3.6=4, 4.4/1488=2...(6) HG3 LYS 119 - H ARG 85 OK 14 97 - 15 - 4235/3.6=3, 4242/4.3=2...(5) HG2 LYS 46 - H ARG 85 lone 8 85 - 9 - 4235/3.6=1 HG3 LYS 46 - H ARG 85 lone 8 85 - 9 - 4235/3.6=1 QB ALA 43 - H ARG 85 lone 6 73 - 8 - 4235/3.6=1, 2.1/1191=1 HG LEU 54 - H ARG 85 lone 1 60 - 2 - Peak 415 from nnoeabs.peaks (1.89, 8.75, 122.77 ppm; 3.31 A): 5 out of 16 assignments used, quality = 0.86: HB2 LEU 84 + H ARG 85 OK 60 92 - 65 - 4.3=45, 1.8/414=11...(7) * HG LEU 84 + H ARG 85 OK 37 100 - 37 - 2.1/416=9, 3.0/414=8...(7) HB ILE 22 + H ARG 85 OK 26 81 - 32 - 2.1/5480=7, 5479=7...(8) HB2 ARG 81 + H ARG 85 OK 14 83 - 16 - 3.0/6138=9, 4234/3.6=2...(4) HB3 LYS 109 + H ARG 85 OK 12 78 - 16 - 1.8/1192=3, 2.9/1194=2...(9) HB2 LYS 119 - H ARG 85 lone 9 100 - 9 - 5205/4.3=2, 1.8/1192=1 HB2 GLU 28 - H ARG 85 lone 8 90 - 9 - 3.8/411=3, 2310/4.7=2 HB3 GLU 28 - H ARG 85 lone 8 87 - 9 - 3.8/411=3, 2316/4.7=2...(4) HB2 LEU 58 - H ARG 85 lone 6 90 - 7 - 1.8/1194=1 HB3 LYS 31 - H ARG 85 lone 5 100 - 5 - 4.0/411=1 HB2 ARG 92 - H ARG 85 lone 4 96 - 4 - HG3 PRO 68 - H ARG 85 lone 4 87 - 4 - HG LEU 55 - H ARG 85 lone 3 100 - 3 - HB VAL 50 - H ARG 85 lone 2 100 - 2 - HB3 GLU 73 - H ARG 85 lone 2 76 - 2 - HB3 MET 11 - H ARG 85 lone 1 63 - 1 - Peak 416 from nnoeabs.peaks (0.14, 8.75, 122.77 ppm; 4.63 A): 3 out of 3 assignments used, quality = 0.89: * QD2 LEU 84 + H ARG 85 OK 75 100 - 75 - 4237/3.6=25, 4.6/1487=17...(11) QG1 VAL 110 + H ARG 85 OK 41 100 - 41 - 4237/3.6=11, 4251/4.3=9...(12) QD2 LEU 51 + H ARG 85 OK 25 83 - 30 - 4237/3.6=5, 2.1/1195=4...(12) Peak 417 from nnoeabs.peaks (0.75, 8.75, 122.77 ppm; 4.37 A): 7 out of 8 assignments used, quality = 0.88: * QD1 LEU 84 + H ARG 85 OK 62 100 - 62 - 2.1/416=18, 4.6/1487=15...(9) HG LEU 111 + H ARG 85 OK 21 100 - 21 - 4252/4.3=4, 4238/3.6=4...(5) QD2 LEU 93 + H ARG 85 OK 20 99 - 20 - 4238/3.6=3, 1189/4.7=2...(7) QG2 ILE 63 + H ARG 85 OK 19 95 - 20 - 1189/4.7=3, 4238/3.6=3...(7) QD2 LEU 111 + H ARG 85 OK 18 92 - 19 - 4252/4.3=3, 4238/3.6=3...(4) QD1 LEU 114 + H ARG 85 OK 13 73 - 18 - 4252/4.3=3, 4245/4.3=2...(7) QD1 LEU 91 + H ARG 85 OK 13 100 - 13 - 4238/3.6=2, 2.1/1194=2...(5) QG2 VAL 66 - H ARG 85 lone 6 71 - 8 - 7195/6140=1 Peak 418 from nnoeabs.peaks (8.75, 8.56, 108.05 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.81: * H ARG 85 + H GLY 86 OK 72 100 - 72 - 4.7=48, 4.0/420=7...(11) H THR 23 + H GLY 86 OK 33 100 - 33 - 4274/3.6=7, 1701/4.6=6...(10) H GLU 15 - H GLY 86 lone 8 76 - 10 - Peak 419 from nnoeabs.peaks (3.93, 8.56, 108.05 ppm; 4.21 A): 2 out of 13 assignments used, quality = 1.00: * HA ARG 85 + H GLY 86 OK 100 100 - 100 - 3.6=100 HB THR 62 + H GLY 86 OK 56 89 - 64 - 2.1/7506=22, ~7509=15...(8) HA THR 23 - H GLY 86 OK 29 100 - 29 - 3.0/418=10, 2182/4.7=8...(7) HA ILE 34 - H GLY 86 OK 10 63 - 17 - 3.0/423=3, 4307/5.0=2...(9) HA ALA 43 - H GLY 86 lone 8 97 - 9 - 3.0/1596=2, 1700/4.6=1 HA2 GLY 25 - H GLY 86 lone 7 100 - 7 - 1191/4.7=1 HD3 PRO 68 - H GLY 86 lone 6 89 - 7 - HA2 GLY 125 - H GLY 86 lone 6 81 - 7 - 3.0/1489=2 HA3 GLY 125 - H GLY 86 lone 6 81 - 7 - 3.0/1489=2 HD2 PRO 68 - H GLY 86 lone 5 85 - 6 - HA SER 74 - H GLY 86 lone 3 89 - 4 - HA3 GLY 2 - H GLY 86 lone 1 63 - 2 - HA2 GLY 2 - H GLY 86 lone 1 63 - 2 - Peak 420 from nnoeabs.peaks (1.95, 8.56, 108.05 ppm; 3.41 A): 3 out of 15 assignments used, quality = 0.86: * HB2 ARG 85 + H GLY 86 OK 60 100 - 60 - 4.7=40, 4.0/418=12...(8) HB3 ARG 85 + H GLY 86 OK 60 100 - 60 - 4.7=40, 4.0/418=12...(8) HB2 LEU 21 + H GLY 86 OK 14 81 - 17 - 4.6/1489=4, 3.0/1199=2...(5) HB2 LYS 109 - H GLY 86 poor 10 97 - 10 - 4276/3.6=2, 4894/5.0=2...(5) HB3 GLU 94 - H GLY 86 lone 8 99 - 8 - 4524=1 HB2 GLU 38 - H GLY 86 lone 8 99 - 8 - 5771=1, 3.0/6004=1, 3.8/1696=1 HG LEU 58 - H GLY 86 lone 5 92 - 5 - HB3 LYS 119 - H GLY 86 lone 4 100 - 4 - HB3 PRO 30 - H GLY 86 lone 4 100 - 4 - HB ILE 80 - H GLY 86 lone 3 71 - 4 - HB2 GLU 64 - H GLY 86 lone 3 97 - 3 - HB3 GLU 64 - H GLY 86 lone 2 96 - 3 - HG LEU 45 - H GLY 86 lone 2 73 - 3 - HB3 GLU 69 - H GLY 86 lone 1 100 - 1 - HB2 ARG 71 - H GLY 86 lone 1 68 - 1 - Peak 421 from nnoeabs.peaks (1.95, 8.56, 108.05 ppm; 3.41 A): 3 out of 15 assignments used, quality = 0.86: HB2 ARG 85 + H GLY 86 OK 60 100 - 60 - 4.7=40, 4.0/418=12...(8) * HB3 ARG 85 + H GLY 86 OK 60 100 - 60 - 4.7=40, 4.0/418=12...(8) HB2 LEU 21 + H GLY 86 OK 14 81 - 17 - 4.6/1489=4, 3.0/1199=2...(5) HB2 LYS 109 - H GLY 86 poor 10 97 - 10 - 4276/3.6=2, 4894/5.0=2...(5) HB3 GLU 94 - H GLY 86 lone 8 99 - 8 - 4524=1 HB2 GLU 38 - H GLY 86 lone 8 99 - 8 - 5771=1, 3.0/6004=1, 3.8/1696=1 HG LEU 58 - H GLY 86 lone 5 92 - 5 - HB3 LYS 119 - H GLY 86 lone 4 100 - 4 - HB3 PRO 30 - H GLY 86 lone 4 100 - 4 - HB ILE 80 - H GLY 86 lone 3 71 - 4 - HB2 GLU 64 - H GLY 86 lone 3 97 - 3 - HB3 GLU 64 - H GLY 86 lone 2 96 - 3 - HG LEU 45 - H GLY 86 lone 2 73 - 3 - HB3 GLU 69 - H GLY 86 lone 1 100 - 1 - HB2 ARG 71 - H GLY 86 lone 1 68 - 1 - Peak 422 from nnoeabs.peaks (1.50, 8.56, 108.05 ppm; 4.78 A): 1 out of 9 assignments used, quality = 0.95: * HG2 ARG 85 + H GLY 86 OK 95 100 - 95 - 5.0=88, 5.0/418=18...(8) HG LEU 93 - H GLY 86 OK 40 99 - 40 - 2.1/7508=9, 5804=5...(12) HB3 LEU 114 - H GLY 86 OK 22 100 - 22 - 3.1/7508=5, 4.0/7516=4...(7) HG2 LYS 109 - H GLY 86 OK 21 87 - 25 - 4278/3.6=6, 4310/5.0=6...(7) HG LEU 91 - H GLY 86 OK 21 98 - 21 - 3.0/7505=4, ~7512=3...(7) HB2 LEU 24 - H GLY 86 OK 20 99 - 21 - 1194/4.7=3, 4278/3.6=3...(9) HB3 LEU 58 - H GLY 86 OK 13 97 - 13 - 4278/3.6=2, 4310/5.0=2...(6) HG3 ARG 92 - H GLY 86 OK 11 97 - 11 - 4.9/7516=3, 4278/3.6=2...(4) HG2 ARG 92 - H GLY 86 OK 10 96 - 11 - 4.9/7516=3, 4278/3.6=2...(4) Peak 423 from nnoeabs.peaks (1.65, 8.56, 108.05 ppm; 4.81 A): 1 out of 11 assignments used, quality = 0.97: * HG3 ARG 85 + H GLY 86 OK 97 100 - 97 - 5.0=90, 1.8/5772=20...(8) HB3 LEU 41 - H GLY 86 OK 32 97 - 33 - 2791=5, 3.1/7507=4...(12) HG LEU 27 - H GLY 86 OK 31 99 - 32 - 4.3/1698=6, 2.1/7507=4...(11) HB ILE 34 - H GLY 86 OK 29 100 - 29 - 4279/3.6=5, 4303/5.0=3...(12) HG LEU 51 - H GLY 86 OK 26 97 - 27 - 3.7/6050=4, 5.1/1613=4...(11) HB2 LEU 59 - H GLY 86 OK 16 81 - 20 - 7078/7506=4, 3.2/7508=4...(7) HB3 GLN 42 - H GLY 86 OK 14 98 - 15 - 4.0/168=2, 4.6/1596=2...(4) HG LEU 101 - H GLY 86 lone 6 68 - 9 - 3.0/7505=2 HB3 LYS 32 - H GLY 86 lone 6 99 - 6 - HD2 LYS 31 - H GLY 86 lone 5 73 - 7 - 6.0/1696=1 HD3 LYS 31 - H GLY 86 lone 5 73 - 7 - 6.0/1696=1 Peak 426 from nnoeabs.peaks (8.56, 8.30, 120.51 ppm; 3.60 A): 4 out of 6 assignments used, quality = 0.83: * H GLY 86 + H CYS 87 OK 71 100 - 71 - 4.6=47, 3.0/428=20...(11) H ARG 53 + H CYS 87 OK 17 90 - 18 - 1620/3.6=4, 233/3.6=3...(6) H GLU 94 + H CYS 87 OK 16 83 - 19 - 4.6/7517=4, 1242/3.6=3...(6) H LEU 41 + H CYS 87 OK 13 87 - 15 - 1586/3.0=2, 1707/4.7=2...(7) H VAL 18 - H CYS 87 poor 9 65 - 14 - 3.0/5978=4, 4.4/7525=2...(5) H ILE 34 - H CYS 87 lone 2 63 - 3 - Peak 427 from nnoeabs.peaks (3.40, 8.30, 120.51 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 86 + H CYS 87 OK 100 100 - 100 - 3.6=100 HA LEU 21 - H CYS 87 OK 24 65 - 36 - 3.0/1436=6, 5472=5...(10) HA VAL 50 - H CYS 87 OK 12 85 - 14 - 6044/4.6=3, 4334/3.6=3...(5) HD2 PRO 37 - H CYS 87 lone 6 76 - 8 - 4334/3.6=2, 3.6/1703=2...(4) Peak 428 from nnoeabs.peaks (3.72, 8.30, 120.51 ppm; 3.44 A): 2 out of 6 assignments used, quality = 0.95: * HA3 GLY 86 + H CYS 87 OK 93 100 - 93 - 3.6=90, 3.0/426=14...(4) HB3 SER 90 + H CYS 87 OK 28 96 - 30 - 1706/4.7=7, ~6166=5...(9) HB2 TRP 20 - H CYS 87 poor 9 90 - 10 - 4.5/1436=3, 4332/3.6=1, 2028=1 HA LEU 54 - H CYS 87 lone 4 68 - 6 - HA GLU 73 - H CYS 87 lone 3 78 - 4 - HA2 GLY 104 - H CYS 87 lone 2 99 - 2 - Peak 429 from nnoeabs.peaks (8.30, 7.86, 106.36 ppm; 3.44 A): 3 out of 5 assignments used, quality = 0.86: * H CYS 87 + H GLY 88 OK 80 100 - 80 - 4.7=41, 3.6/432=19...(13) H ILE 22 + H GLY 88 OK 20 100 - 20 - 4336/3.6=4, 4340/4.2=2...(7) H GLY 125 + H GLY 88 OK 10 85 - 12 - 4.4/7552=2, 3.0/1708=1...(6) H THR 62 - H GLY 88 lone 8 76 - 10 - 3.9/1708=2 H TRP 20 - H GLY 88 lone 3 65 - 5 - Peak 430 from nnoeabs.peaks (3.76, 7.86, 106.36 ppm; 3.22 A): 2 out of 11 assignments used, quality = 0.92: * HA CYS 87 + H GLY 88 OK 90 100 - 90 - 3.6=73, 3.0/432=20...(10) HB3 SER 90 + H GLY 88 OK 24 73 - 33 - 3.8/1718=12, 1.8/1206=5...(11) HA GLU 38 - H GLY 88 lone 7 100 - 7 - 4345/4.2=1, 4341/4.2=1 HD2 PRO 30 - H GLY 88 lone 4 98 - 5 - HB3 SER 35 - H GLY 88 lone 4 100 - 4 - HB3 SER 13 - H GLY 88 lone 3 99 - 3 - HA LEU 54 - H GLY 88 lone 3 97 - 3 - HA GLU 73 - H GLY 88 lone 2 93 - 2 - HB3 SER 74 - H GLY 88 lone 2 73 - 2 - HB2 SER 74 - H GLY 88 lone 1 71 - 2 - HB2 SER 72 - H GLY 88 lone 1 85 - 1 - Peak 431 from nnoeabs.peaks (2.27, 7.86, 106.36 ppm; 3.80 A): 1 out of 11 assignments used, quality = 0.92: * HB2 CYS 87 + H GLY 88 OK 92 100 - 92 - 4.2=72, 1.8/432=35...(13) HG3 GLU 94 - H GLY 88 lone 8 100 - 8 - 4.9/1707=2, 4338/3.6=1...(4) HG3 GLU 38 - H GLY 88 lone 4 63 - 6 - 4338/3.6=1, 4.0/430=1 HG2 GLU 38 - H GLY 88 lone 4 60 - 6 - 4338/3.6=1, 4.0/430=1 HG2 GLU 56 - H GLY 88 lone 3 76 - 4 - HG2 GLU 94 - H GLY 88 lone 3 57 - 5 - 4.9/1707=2 HG3 GLN 105 - H GLY 88 lone 3 95 - 3 - HB VAL 120 - H GLY 88 lone 3 60 - 5 - HG2 GLN 105 - H GLY 88 lone 3 93 - 3 - HG3 GLU 15 - H GLY 88 lone 2 87 - 3 - HB2 PRO 70 - H GLY 88 lone 2 71 - 3 - Peak 432 from nnoeabs.peaks (2.46, 7.86, 106.36 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.86: * HB3 CYS 87 + H GLY 88 OK 84 100 - 84 - 4.2=60, 1.8/431=24...(11) HB2 CYS 52 + H GLY 88 OK 11 90 - 12 - 4339/3.6=3, 1204/4.7=2...(4) Peak 433 from nnoeabs.peaks (7.86, 7.96, 121.48 ppm; 3.42 A): 2 out of 8 assignments used, quality = 0.76: * H GLY 88 + H ALA 89 OK 70 100 - 70 - 4.6=41, 1718/4.5=11...(12) H GLY 88 + H LEU 114 OK 18 90 - 20 - 1491=7, 3.6/6164=2...(6) H ASN 79 - H LEU 114 poor 9 65 - 14 - 4.7/1517=3, 375/3.0=3...(5) H PHE 83 - H ALA 89 lone 7 93 - 7 - H PHE 83 - H LEU 114 lone 5 80 - 6 - H ASN 79 - H ALA 89 lone 4 78 - 5 - H ASP 36 - H ALA 89 lone 2 87 - 2 - H ASP 36 - H LEU 114 lone 1 73 - 1 - Peak 434 from nnoeabs.peaks (3.81, 7.96, 121.48 ppm; 3.59 A): 3 out of 22 assignments used, quality = 1.00: * HA2 GLY 88 + H ALA 89 OK 100 100 - 100 - 3.6=100 HA3 GLY 88 + H ALA 89 OK 100 100 - 100 - 3.6=100 HB2 SER 90 + H ALA 89 OK 49 96 - 52 - 3.8/436=12, 1.8/1714=10...(12) HA THR 116 - H LEU 114 OK 15 69 - 22 - 3.0/1764=8, ~6235=4...(5) HB2 SER 90 - H LEU 114 OK 13 82 - 16 - 3.8/436=3, 4.4/1494=3...(5) HA2 GLY 88 - H LEU 114 OK 11 90 - 12 - 3.0/433=5, 4.3/4357=2...(4) HA3 GLY 88 - H LEU 114 OK 11 89 - 12 - 3.0/433=5, 4.3/4357=2...(4) HB3 SER 29 - H LEU 114 lone 5 90 - 5 - 3.0/577=1 HB2 SER 29 - H LEU 114 lone 5 90 - 5 - 3.0/577=1 HA THR 116 - H ALA 89 lone 5 83 - 6 - 3.0/1764=1 HB2 SER 29 - H ALA 89 lone 5 100 - 4 - HB3 SER 29 - H ALA 89 lone 5 100 - 4 - HA LYS 119 - H ALA 89 lone 4 76 - 5 - HA3 GLY 39 - H ALA 89 lone 3 100 - 3 - HA LYS 119 - H LEU 114 lone 3 62 - 5 - 3.0/576=2 HA3 GLY 39 - H LEU 114 lone 2 90 - 3 - HA2 GLY 61 - H ALA 89 lone 2 89 - 3 - HB2 SER 74 - H LEU 114 lone 2 48 - 4 - HA LEU 77 - H LEU 114 lone 2 51 - 3 - 6107/4.6=2 HB2 SER 74 - H ALA 89 lone 1 60 - 2 - HA LEU 77 - H ALA 89 lone 1 63 - 2 - HA2 GLY 61 - H LEU 114 lone 1 75 - 1 - Peak 435 from nnoeabs.peaks (3.81, 7.96, 121.48 ppm; 3.59 A): 3 out of 22 assignments used, quality = 1.00: * HA3 GLY 88 + H ALA 89 OK 100 100 - 100 - 3.6=100 HA2 GLY 88 + H ALA 89 OK 100 100 - 100 - 3.6=100 HB2 SER 90 + H ALA 89 OK 46 90 - 51 - 3.8/436=12, 1.8/1714=10...(12) HA THR 116 - H LEU 114 OK 17 76 - 22 - 3.0/1764=8, ~6235=4...(5) HB2 SER 90 - H LEU 114 OK 12 76 - 16 - 3.8/436=3, 4.4/1494=3...(4) HA3 GLY 88 - H LEU 114 OK 11 90 - 12 - 3.0/433=5, 4.3/4357=2...(4) HA2 GLY 88 - H LEU 114 OK 11 89 - 12 - 3.0/433=5, 4.3/4357=2...(4) HA THR 116 - H ALA 89 lone 5 90 - 6 - 3.0/1764=1 HB3 SER 29 - H LEU 114 lone 5 90 - 5 - 3.0/577=1 HB2 SER 29 - H LEU 114 lone 5 90 - 5 - 3.0/577=1 HB3 SER 29 - H ALA 89 lone 5 100 - 4 - HB2 SER 29 - H ALA 89 lone 5 100 - 4 - HA LYS 119 - H ALA 89 lone 4 85 - 5 - HA LYS 119 - H LEU 114 lone 4 71 - 5 - 3.0/576=2 HA3 GLY 39 - H ALA 89 lone 3 99 - 3 - HA THR 19 - H LEU 114 lone 3 48 - 6 - 3.0/1764=2 HA THR 19 - H ALA 89 lone 3 60 - 4 - HA3 GLY 39 - H LEU 114 lone 2 88 - 3 - HA LEU 77 - H LEU 114 lone 2 60 - 4 - 6107/4.6=2 HA2 GLY 61 - H ALA 89 lone 2 81 - 3 - HA LEU 77 - H ALA 89 lone 2 73 - 2 - HA2 GLY 61 - H LEU 114 lone 1 67 - 1 - Peak 436 from nnoeabs.peaks (7.96, 7.72, 110.55 ppm; 3.12 A): 4 out of 6 assignments used, quality = 0.81: * H ALA 89 + H SER 90 OK 60 100 - 60 - 4.5=32, 2.9/5784=11...(10) H ARG 92 + H SER 90 OK 36 100 - 36 - 443/4.6=6, 4.2/7570=6...(12) H LEU 114 + H SER 90 OK 17 92 - 19 - 1492=4, 1494/4.6=2...(8) H VAL 66 + H SER 90 OK 10 100 - 10 - 1494/4.6=2, 4.0/7570=1...(4) H SER 44 - H SER 90 lone 3 98 - 3 - HE ARG 85 - H SER 90 lone 1 71 - 2 - Peak 437 from nnoeabs.peaks (4.24, 7.72, 110.55 ppm; 3.93 A): 1 out of 13 assignments used, quality = 1.00: * HA ALA 89 + H SER 90 OK 100 100 - 100 - 3.6=100 HA LEU 58 - H SER 90 OK 21 97 - 21 - 3347=4, 3.6/271=3...(8) HA VAL 66 - H SER 90 poor 7 63 - 11 - 3.0/436=3, 3.0/7570=3...(4) HA ILE 22 - H SER 90 lone 5 65 - 7 - 3.9/7568=2, 4.9/1720=1, ~6433=1 HA THR 17 - H SER 90 lone 3 99 - 3 - HA GLU 64 - H SER 90 lone 3 89 - 3 - HB THR 19 - H SER 90 lone 3 99 - 3 - HA CYS 52 - H SER 90 lone 3 81 - 3 - HA3 GLY 48 - H SER 90 lone 2 100 - 2 - HA ALA 122 - H SER 90 lone 2 60 - 3 - HA VAL 26 - H SER 90 lone 1 78 - 2 - HA SER 13 - H SER 90 lone 1 65 - 2 - HA GLU 94 - H SER 90 lone 1 60 - 2 - Peak 438 from nnoeabs.peaks (1.44, 7.72, 110.55 ppm; 3.06 A): 3 out of 17 assignments used, quality = 0.89: * QB ALA 89 + H SER 90 OK 78 100 - 78 - 3.6=62, 2.9/436=11...(11) HB3 LEU 91 + H SER 90 OK 40 97 - 42 - 1.8/7570=8, 7571/3.0=5...(14) HB2 LEU 93 + H SER 90 OK 14 71 - 20 - 7577/3.8=4, 3.1/7568=3...(6) HB3 LEU 101 - H SER 90 lone 8 100 - 8 - 1218/4.6=1 HD2 LYS 65 - H SER 90 lone 6 100 - 6 - HD3 LYS 65 - H SER 90 lone 6 100 - 6 - HG LEU 24 - H SER 90 lone 5 97 - 5 - 2.1/6478=1 QB ALA 98 - H SER 90 lone 4 89 - 5 - HG3 ARG 57 - H SER 90 lone 4 65 - 6 - 1.8/5641=1 HG2 LYS 119 - H SER 90 lone 3 83 - 4 - HB3 GLU 75 - H SER 90 lone 3 97 - 3 - HB3 LEU 45 - H SER 90 lone 3 97 - 3 - HD2 LYS 46 - H SER 90 lone 2 87 - 3 - QB ALA 122 - H SER 90 lone 2 65 - 3 - HG3 LYS 31 - H SER 90 lone 2 76 - 3 - QB ALA 14 - H SER 90 lone 2 71 - 2 - HB2 LEU 51 - H SER 90 lone 1 83 - 2 - Peak 439 from nnoeabs.peaks (7.72, 7.75, 120.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: H LEU 91 + H LEU 91 OK 73 73 - 100 Reference assignment not found: H SER 90 - H LEU 91 Peak 440 from nnoeabs.peaks (4.46, 7.75, 120.20 ppm; 3.54 A): 1 out of 7 assignments used, quality = 0.98: * HA SER 90 + H LEU 91 OK 98 100 - 98 - 3.6=97, 3.0/442=13...(7) HA LEU 101 - H LEU 91 poor 9 63 - 15 - 3.0/1218=3, ~4375=2...(6) HA ARG 71 - H LEU 91 lone 8 83 - 10 - 3.0/1217=2, 4.0/1217=1 HA SER 113 - H LEU 91 lone 7 73 - 9 - 3.6/1494=4, 1212/4.6=1 HA SER 29 - H LEU 91 lone 3 60 - 6 - 6574/4.5=1 HA PRO 60 - H LEU 91 lone 3 100 - 3 - HA PRO 70 - H LEU 91 lone 2 83 - 3 - Peak 441 from nnoeabs.peaks (3.80, 7.75, 120.20 ppm; 3.79 A): 3 out of 10 assignments used, quality = 0.93: * HB2 SER 90 + H LEU 91 OK 84 100 - 84 - 4.4=62, 3.0/440=23...(9) HA2 GLY 88 + H LEU 91 OK 34 96 - 36 - 3.6/1494=8, 4362/3.6=6...(10) HA3 GLY 88 + H LEU 91 OK 32 90 - 35 - 3.6/1494=8, 4.3/1218=5...(10) HB2 SER 29 - H LEU 91 lone 5 93 - 6 - HB3 SER 29 - H LEU 91 lone 5 92 - 6 - HA2 GLY 61 - H LEU 91 lone 5 100 - 5 - 1.8/7583=1 HA3 GLY 39 - H LEU 91 lone 3 98 - 3 - HB2 SER 74 - H LEU 91 lone 2 89 - 2 - HB3 SER 74 - H LEU 91 lone 2 87 - 2 - HB2 SER 72 - H LEU 91 lone 1 76 - 1 - Peak 442 from nnoeabs.peaks (3.73, 7.75, 120.20 ppm; 3.72 A): 3 out of 9 assignments used, quality = 0.89: * HB3 SER 90 + H LEU 91 OK 81 100 - 81 - 4.4=58, 3.0/440=22...(10) HA CYS 87 + H LEU 91 OK 32 73 - 44 - 3.0/7519=7, 6165=6...(13) HA3 GLY 86 + H LEU 91 OK 19 96 - 20 - 1721/4.6=4, 4363/3.6=4...(8) HA GLU 38 - H LEU 91 lone 6 71 - 8 - 6709/4.5=1, 7585/4.0=1 HA LEU 54 - H LEU 91 lone 5 93 - 6 - HB3 SER 35 - H LEU 91 lone 4 71 - 6 - 7587/4.5=1, 6290/4.5=1 HA GLU 73 - H LEU 91 lone 4 97 - 3 - HA2 GLY 104 - H LEU 91 lone 2 85 - 2 - HB2 TRP 20 - H LEU 91 lone 1 63 - 2 - Peak 443 from nnoeabs.peaks (7.75, 7.96, 116.66 ppm; 3.54 A): 4 out of 6 assignments used, quality = 0.86: * H LEU 91 + H ARG 92 OK 73 100 - 73 - 4.6=45, 4379/4.2=9...(13) H SER 90 + H ARG 92 OK 31 73 - 43 - 436=10, 4.6/1494=7...(12) H ASN 118 + H ARG 92 OK 19 97 - 19 - 4400/5.0=3, 4372/3.6=3...(7) H LEU 58 + H ARG 92 OK 11 73 - 15 - 3.9/1224=2, 4.2/1225=1...(10) H LEU 126 - H ARG 92 lone 5 78 - 6 - 2.9/1223=1 H GLY 48 - H ARG 92 lone 3 81 - 3 - Peak 444 from nnoeabs.peaks (4.51, 7.96, 116.66 ppm; 3.76 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 91 + H ARG 92 OK 100 100 - 100 - 3.6=100 HA LEU 101 - H ARG 92 OK 19 93 - 21 - 4387/4.2=4, 4380/4.2=4...(7) HA PRO 30 - H ARG 92 OK 19 100 - 19 - 8245/4.2=5, 4380/4.2=4...(6) HA ARG 71 - H ARG 92 poor 8 78 - 10 - 4387/4.2=2, 4380/4.2=2...(6) HB THR 23 - H ARG 92 lone 4 98 - 4 - HA PRO 70 - H ARG 92 lone 4 78 - 5 - HA LEU 27 - H ARG 92 lone 3 57 - 6 - 7597/4.6=1 Peak 445 from nnoeabs.peaks (1.74, 7.96, 116.66 ppm; 4.38 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 91 + H ARG 92 OK 100 100 - 100 - 4.2=100 HB VAL 66 - H ARG 92 OK 38 95 - 40 - 3665=8, 3.0/3660=6...(12) HB2 ARG 53 - H ARG 92 OK 33 99 - 34 - 3.0/1225=5, 3134/3.6=3...(12) HB3 LEU 55 - H ARG 92 OK 18 89 - 21 - 7002/4.6=4, 3.0/1224=3...(8) HB2 LYS 31 - H ARG 92 OK 14 97 - 14 - 4374/3.6=2, 4388/4.2=2...(7) HB3 ARG 71 - H ARG 92 OK 13 99 - 13 - 4374/3.6=3, 4388/4.2=2...(6) HG2 ARG 71 - H ARG 92 OK 11 98 - 11 - 4374/3.6=2, 4388/4.2=2...(5) HG LEU 117 - H ARG 92 poor 10 63 - 16 - 7594/4.6=2, 4402/5.0=2...(6) HG3 PRO 30 - H ARG 92 poor 9 60 - 15 - 3.8/444=4, 4388/4.2=2...(6) HB3 LYS 46 - H ARG 92 lone 9 89 - 10 - HB2 LEU 45 - H ARG 92 lone 7 85 - 9 - 4388/4.2=1, 4374/3.6=1 HG3 ARG 71 - H ARG 92 lone 7 78 - 9 - 4.0/444=2, 4374/3.6=1...(4) HB3 LEU 77 - H ARG 92 lone 4 73 - 6 - HD2 LYS 109 - H ARG 92 lone 4 63 - 6 - HG2 GLN 42 - H ARG 92 lone 3 71 - 4 - Peak 446 from nnoeabs.peaks (1.43, 7.96, 116.66 ppm; 3.97 A): 2 out of 13 assignments used, quality = 0.96: * HB3 LEU 91 + H ARG 92 OK 93 100 - 93 - 4.2=87, 4.0/443=13...(12) QB ALA 89 + H ARG 92 OK 44 97 - 46 - 3.6/436=9, 4357=7...(12) HB3 LEU 101 - H ARG 92 OK 22 97 - 22 - 4375/3.6=5, 4382/4.2=4...(6) HD2 LYS 65 - H ARG 92 OK 18 93 - 19 - 5680=3, 1.8/5680=3...(9) HD3 LYS 65 - H ARG 92 OK 18 93 - 19 - 5680=3, 1.8/5680=3...(9) QB ALA 98 - H ARG 92 lone 10 99 - 10 - 7666/5.0=2, 4382/4.2=1...(4) HG LEU 24 - H ARG 92 lone 7 81 - 9 - 4375/3.6=1, 4382/4.2=1 HB3 LEU 45 - H ARG 92 lone 5 81 - 7 - HB3 GLU 75 - H ARG 92 lone 5 81 - 6 - HB2 LEU 51 - H ARG 92 lone 4 98 - 4 - HG LEU 59 - H ARG 92 lone 4 65 - 6 - HD2 LYS 46 - H ARG 92 lone 4 60 - 6 - QB ALA 122 - H ARG 92 lone 3 90 - 4 - Peak 447 from nnoeabs.peaks (1.49, 7.96, 116.66 ppm; 3.67 A): 4 out of 14 assignments used, quality = 0.95: HG3 ARG 92 + H ARG 92 OK 61 85 - 72 - 4.9=41, 4419/3.0=8...(17) HG2 ARG 92 + H ARG 92 OK 58 81 - 72 - 4.9=41, 4419/3.0=8...(17) * HG LEU 91 + H ARG 92 OK 47 100 - 47 - 2.1/5792=11, 3.0/446=10...(9) HG LEU 93 + H ARG 92 OK 41 100 - 41 - 5.3/1495=7, 2.1/8528=7...(12) HB3 LEU 114 - H ARG 92 OK 34 97 - 35 - 5070=6, 1.8/5063=4...(16) HB2 LEU 93 - H ARG 92 OK 27 73 - 37 - 3.8/450=12, 3.1/8528=6...(10) HB3 LEU 58 - H ARG 92 OK 19 100 - 19 - 1.8/1224=3, 3.9/443=2...(11) HG2 ARG 85 - H ARG 92 OK 12 98 - 12 - 7497=2, 1.8/7499=2...(5) HB2 LEU 24 - H ARG 92 lone 7 89 - 8 - HG3 ARG 57 - H ARG 92 lone 7 78 - 9 - 3.0/1225=2 HG2 LYS 109 - H ARG 92 lone 6 98 - 6 - HG3 LYS 31 - H ARG 92 lone 5 68 - 7 - 2.9/445=1, 2.9/1224=1 QB ALA 14 - H ARG 92 lone 3 73 - 4 - HG2 LYS 119 - H ARG 92 lone 3 60 - 5 - Peak 448 from nnoeabs.peaks (0.82, 7.96, 116.66 ppm; 4.30 A): 2 out of 8 assignments used, quality = 0.94: * QD2 LEU 91 + H ARG 92 OK 87 100 - 87 - 5.0=64, 4401/3.6=20...(15) QD1 LEU 93 + H ARG 92 OK 56 95 - 60 - 4.7/450=12, 8528=11...(14) QD1 LEU 111 - H ARG 92 OK 22 85 - 26 - 4391/4.2=4, 4384/4.2=4...(8) HB2 ASN 118 - H ARG 92 OK 17 99 - 17 - 4.0/443=4, 5178/4.6=4...(5) QD1 ILE 22 - H ARG 92 OK 14 92 - 15 - 4377/3.6=2, 4384/4.2=2...(5) QG1 VAL 115 - H ARG 92 OK 13 93 - 14 - 4.0/580=3, 1220/4.6=1...(6) HG13 ILE 22 - H ARG 92 OK 12 78 - 15 - 2174/5.0=2, 4391/4.2=1...(7) QD1 LEU 59 - H ARG 92 lone 7 68 - 10 - 1236/4.6=1, 1220/4.6=1 Peak 449 from nnoeabs.peaks (0.74, 7.96, 116.66 ppm; 4.66 A): 2 out of 8 assignments used, quality = 0.97: * QD1 LEU 91 + H ARG 92 OK 93 100 - 93 - 5.0=82, 2.1/5792=17...(14) QD2 LEU 93 + H ARG 92 OK 58 97 - 60 - 4.7/1495=14, 2.1/8528=12...(13) QD1 LEU 114 - H ARG 92 OK 36 83 - 44 - 2.1/5084=7, 3.1/5070=6...(16) HG LEU 111 - H ARG 92 OK 36 99 - 36 - 4385/4.2=5, 4392/4.2=5...(10) QD2 LEU 111 - H ARG 92 OK 34 97 - 35 - 4385/4.2=5, 4392/4.2=5...(10) QG2 ILE 63 - H ARG 92 OK 25 89 - 28 - 7123=8, 7138/4.2=3...(8) QG2 VAL 66 - H ARG 92 OK 21 60 - 36 - 2.1/3665=8, 3.2/3660=6...(12) QD1 LEU 84 - H ARG 92 OK 21 100 - 21 - 7481/4.6=5, 2.1/1224=2...(7) Peak 450 from nnoeabs.peaks (7.96, 7.09, 119.22 ppm; 3.39 A): 4 out of 6 assignments used, quality = 0.90: * H ARG 92 + H LEU 93 OK 78 100 - 78 - 4.6=39, 3.0/451=21...(18) H ALA 89 + H LEU 93 OK 29 100 - 29 - 3.6/7593=4, 3.6/7593=4...(10) H LEU 114 + H LEU 93 OK 26 97 - 26 - 4.4/7948=7, 4.4/6981=3...(7) H VAL 66 + H LEU 93 OK 18 100 - 18 - 4414/3.6=2, 3.0/451=2...(7) H SER 44 - H LEU 93 lone 5 93 - 5 - HE ARG 85 - H LEU 93 lone 5 83 - 6 - Peak 451 from nnoeabs.peaks (4.18, 7.09, 119.22 ppm; 3.10 A): 1 out of 8 assignments used, quality = 0.77: * HA ARG 92 + H LEU 93 OK 77 100 - 77 - 3.6=65, 3.0/450=11...(9) HA PRO 68 - H LEU 93 lone 7 100 - 7 - 4423/4.2=2, 4431/4.2=1 HA VAL 66 - H LEU 93 poor 6 60 - 11 - 3.0/450=2, 3.0/7594=1...(4) HA GLU 56 - H LEU 93 lone 5 89 - 5 - 4423/4.2=1 HA LEU 126 - H LEU 93 lone 3 76 - 4 - 5794=1 HA3 GLY 61 - H LEU 93 lone 3 99 - 3 - HA GLU 28 - H LEU 93 lone 2 63 - 3 - HA SER 78 - H LEU 93 lone 1 87 - 1 - Peak 452 from nnoeabs.peaks (1.88, 7.09, 119.22 ppm; 3.82 A): 2 out of 13 assignments used, quality = 0.93: * HB2 ARG 92 + H LEU 93 OK 89 100 - 89 - 4.2=73, 3.0/451=26...(8) HG LEU 55 + H LEU 93 OK 41 99 - 41 - 2.1/7003=10, 8640=7...(13) HB2 LEU 58 - H LEU 93 OK 25 100 - 25 - 8304/3.8=4, 3.1/7595=3...(12) HG LEU 84 - H LEU 93 OK 24 96 - 25 - 2.1/7479=5, 2.1/7481=5...(7) HB3 LYS 31 - H LEU 93 OK 21 98 - 22 - 2419/3.8=4, 2.9/1233=3...(7) HG3 PRO 68 - H LEU 93 OK 14 99 - 15 - 4416/3.6=3, 8640=2...(5) HB2 LEU 84 - H LEU 93 OK 14 65 - 21 - 3.1/7481=4, 3.1/7479=4...(5) HB2 LYS 119 - H LEU 93 OK 12 98 - 12 - 8030/4.7=2, 3.0/7593=1...(4) HB3 LYS 109 - H LEU 93 lone 8 97 - 8 - 8449/7860=1 HG12 ILE 22 - H LEU 93 poor 7 65 - 10 - 1.8/1236=2, ~4476=1...(4) HB3 GLU 28 - H LEU 93 lone 6 99 - 6 - HB VAL 50 - H LEU 93 lone 4 98 - 4 - 3056/7998=1 HB2 GLU 28 - H LEU 93 lone 3 63 - 5 - Peak 453 from nnoeabs.peaks (1.81, 7.09, 119.22 ppm; 4.03 A): 1 out of 12 assignments used, quality = 0.94: * HB3 ARG 92 + H LEU 93 OK 94 100 - 94 - 4.2=86, 3.0/451=28...(9) HB3 GLN 105 - H LEU 93 OK 18 96 - 19 - 3.0/7596=3, 3.0/7596=3...(6) HG3 ARG 53 - H LEU 93 OK 17 81 - 22 - 4425/4.2=4, 8430/3.6=4...(7) HG13 ILE 63 - H LEU 93 OK 17 93 - 18 - 2.1/7131=6, 3.2/1235=3...(6) HB3 ARG 57 - H LEU 93 OK 11 99 - 11 - 4417/3.6=2, 4425/4.2=2 HB3 GLU 56 - H LEU 93 lone 9 93 - 10 - 4417/3.6=2, 4425/4.2=2...(4) HB2 PRO 37 - H LEU 93 lone 8 83 - 10 - 2.3/6699=4, 3.9/1496=2 HG LEU 41 - H LEU 93 poor 7 68 - 11 - 5.2/1496=2, 2798/4.6=1 HB2 PRO 60 - H LEU 93 lone 5 100 - 5 - HG2 GLU 75 - H LEU 93 lone 4 99 - 4 - HB2 LYS 32 - H LEU 93 lone 2 83 - 2 - HB2 GLU 69 - H LEU 93 lone 2 65 - 2 - Peak 454 from nnoeabs.peaks (1.51, 7.09, 119.22 ppm; 3.36 A): 4 out of 9 assignments used, quality = 0.93: HG LEU 93 + H LEU 93 OK 57 87 - 66 - 5.3=26, 2.1/4505=13...(12) HG3 ARG 92 + H LEU 93 OK 47 100 - 47 - 3.9/451=16, 3.0/453=10...(9) * HG2 ARG 92 + H LEU 93 OK 46 100 - 46 - 3.9/451=16, 3.0/453=10...(10) HG LEU 91 + H LEU 93 OK 46 81 - 58 - 2.1/7589=7, 3.0/7582=7...(17) HB3 LEU 114 - H LEU 93 OK 27 97 - 28 - 3.1/7948=10, 3.1/6981=5...(9) HB3 LEU 58 - H LEU 93 OK 14 76 - 18 - 1.8/452=3, 3.1/7595=2...(7) HG2 ARG 85 - H LEU 93 lone 8 96 - 8 - 5.0/1496=2, 5772/4.6=1 HB2 LEU 24 - H LEU 93 lone 6 100 - 6 - HD3 LYS 46 - H LEU 93 lone 3 87 - 3 - Peak 455 from nnoeabs.peaks (1.51, 7.09, 119.22 ppm; 3.36 A): 4 out of 10 assignments used, quality = 0.94: HG LEU 93 + H LEU 93 OK 60 90 - 66 - 5.3=26, 2.1/4505=13...(12) HG LEU 91 + H LEU 93 OK 49 85 - 58 - 2.1/7589=7, 3.0/7582=7...(17) * HG3 ARG 92 + H LEU 93 OK 47 100 - 47 - 3.9/451=16, 3.0/453=10...(9) HG2 ARG 92 + H LEU 93 OK 47 100 - 47 - 3.9/451=16, 3.0/453=10...(10) HB3 LEU 114 - H LEU 93 OK 28 99 - 28 - 3.1/7948=10, 3.1/6981=5...(9) HB3 LEU 58 - H LEU 93 OK 15 81 - 19 - 1.8/452=3, 3.1/7595=2...(8) HG2 ARG 85 - H LEU 93 lone 8 97 - 8 - 5.0/1496=2, 5772/4.6=1 HB2 LEU 24 - H LEU 93 lone 6 100 - 6 - HG2 LYS 109 - H LEU 93 lone 3 63 - 4 - HD3 LYS 46 - H LEU 93 lone 3 83 - 3 - Peak 458 from nnoeabs.peaks (7.09, 8.54, 123.99 ppm; 4.09 A): 3 out of 5 assignments used, quality = 0.92: * H LEU 93 + H GLU 94 OK 89 100 - 89 - 4.6=68, 3.0/459=31...(9) HZ PHE 96 + H GLU 94 OK 17 96 - 18 - 4470/3.6=4, 4484/4.4=4 HE ARG 92 + H GLU 94 OK 13 92 - 14 - 4470/3.6=3, 4484/4.4=3...(4) QD PHE 40 - H GLU 94 poor 10 63 - 16 - 2.5/5557=2, 3.7/5555=2...(6) QD PHE 83 - H GLU 94 poor 9 78 - 11 - 4.6/1689=2, 4470/3.6=1...(5) Peak 459 from nnoeabs.peaks (4.38, 8.54, 123.99 ppm; 2.74 A): 2 out of 7 assignments used, quality = 0.69: * HA LEU 93 + H GLU 94 OK 64 100 - 64 - 3.6=46, 3.0/461=9...(9) HB THR 116 + H GLU 94 OK 13 97 - 14 - 2.1/8171=6, 4485/4.4=2...(4) HA GLN 105 - H GLU 94 lone 4 100 - 4 - HA THR 121 - H GLU 94 lone 2 60 - 4 - 3.2/461=1 HA SER 35 - H GLU 94 lone 2 99 - 2 - HA MET 11 - H GLU 94 lone 2 90 - 2 - HA CYS 76 - H GLU 94 lone 1 71 - 1 - Peak 460 from nnoeabs.peaks (1.47, 8.54, 123.99 ppm; 3.48 A): 4 out of 17 assignments used, quality = 0.91: * HB2 LEU 93 + H GLU 94 OK 81 100 - 81 - 4.4=49, 3.0/459=24...(11) HG LEU 93 + H GLU 94 OK 35 65 - 53 - 4.3/459=16, 3.0/461=15...(9) HB3 LEU 58 + H GLU 94 OK 16 78 - 21 - 3.1/7614=3, 3.0/1238=3...(8) HG LEU 91 + H GLU 94 OK 15 73 - 21 - 2.1/464=5, 2.1/463=4...(6) HG3 LYS 31 - H GLU 94 lone 9 100 - 9 - 1.8/461=2, 2439/4.4=2 QB ALA 14 - H GLU 94 lone 7 100 - 7 - HD3 LYS 65 - H GLU 94 lone 6 78 - 8 - 2.9/7614=2, 2.9/7614=2 HD2 LYS 65 - H GLU 94 lone 6 78 - 8 - 2.9/7614=2, 2.9/7614=2 HG2 LYS 119 - H GLU 94 lone 5 100 - 5 - HB3 LEU 101 - H GLU 94 lone 5 68 - 7 - 3.1/7614=2 QB ALA 89 - H GLU 94 lone 4 71 - 5 - 4.8/1707=1 HD2 LYS 46 - H GLU 94 lone 4 99 - 4 - HB3 LEU 45 - H GLU 94 lone 3 92 - 3 - HG3 ARG 57 - H GLU 94 lone 3 100 - 3 - HG LEU 24 - H GLU 94 lone 3 92 - 3 - HG2 LYS 109 - H GLU 94 lone 2 92 - 3 - HB3 GLU 75 - H GLU 94 lone 2 92 - 3 - Peak 461 from nnoeabs.peaks (1.38, 8.54, 123.99 ppm; 3.67 A): 4 out of 7 assignments used, quality = 0.90: * HB3 LEU 93 + H GLU 94 OK 85 100 - 85 - 4.4=57, 3.0/459=26...(12) HB2 LEU 111 + H GLU 94 OK 18 99 - 19 - 4473/3.6=4, 3.0/463=3...(5) QG2 THR 121 + H GLU 94 OK 13 99 - 13 - 5309/3.6=3, 1233/4.6=2 HG2 LYS 31 + H GLU 94 OK 10 96 - 11 - 4473/3.6=3, 4480/4.4=2...(4) HB2 LEU 27 - H GLU 94 lone 8 93 - 9 - 4473/3.6=2, 1233/4.6=2 HB VAL 110 - H GLU 94 lone 6 97 - 6 - 1233/4.6=2, 4473/3.6=2 HG LEU 59 - H GLU 94 lone 6 85 - 7 - 2.1/464=2, 4473/3.6=1 Peak 462 from nnoeabs.peaks (1.49, 8.54, 123.99 ppm; 3.51 A): 6 out of 13 assignments used, quality = 0.91: * HG LEU 93 + H GLU 94 OK 56 100 - 56 - 4.3/459=16, 3.0/461=15...(9) HB2 LEU 93 + H GLU 94 OK 53 65 - 81 - 4.4=50, 3.0/459=25...(9) HG LEU 91 + H GLU 94 OK 26 100 - 26 - 2.1/464=5, 2.1/463=4...(6) HB3 LEU 58 + H GLU 94 OK 22 100 - 22 - 3.1/7614=3, 3.0/1238=3...(9) HB3 LEU 114 + H GLU 94 OK 17 99 - 17 - 3.1/464=3, 3.0/1239=2...(8) HG2 ARG 85 + H GLU 94 OK 13 99 - 13 - 3.0/1240=2, 3.0/1240=2...(5) HG3 ARG 92 - H GLU 94 lone 8 90 - 9 - 455/4.6=2, 4.0/458=2...(4) HG2 ARG 92 - H GLU 94 lone 8 87 - 9 - 455/4.6=2, 4.0/458=2...(4) HG3 LYS 31 - H GLU 94 lone 4 60 - 7 - 1.8/461=2, 4486/4.4=1 HB2 LEU 24 - H GLU 94 lone 3 93 - 4 - QB ALA 14 - H GLU 94 lone 3 65 - 5 - HG2 LYS 109 - H GLU 94 lone 3 96 - 3 - HG3 ARG 57 - H GLU 94 lone 1 71 - 2 - Peak 463 from nnoeabs.peaks (0.76, 8.54, 123.99 ppm; 4.08 A): 7 out of 7 assignments used, quality = 0.95: * QD2 LEU 93 + H GLU 94 OK 74 100 - 74 - 3.8/459=25, 3.1/461=19...(11) QD1 LEU 91 + H GLU 94 OK 35 97 - 37 - 4475/3.6=7, 2.1/464=7...(8) HG LEU 111 + H GLU 94 OK 31 100 - 31 - 4475/3.6=5, 3.0/461=4...(7) QG2 ILE 63 + H GLU 94 OK 21 99 - 21 - 3.2/7126=3, 7145/3.0=3...(6) QD2 LEU 111 + H GLU 94 OK 20 78 - 26 - 3.1/461=4, 4475/3.6=4...(7) QD1 LEU 84 + H GLU 94 OK 20 99 - 20 - 7481/4.6=3, 3.1/7615=2...(8) QG2 VAL 66 + H GLU 94 OK 14 87 - 16 - 2.1/7202=4, 7194/3.0=2...(4) Peak 464 from nnoeabs.peaks (0.83, 8.54, 123.99 ppm; 3.90 A): 6 out of 9 assignments used, quality = 0.91: * QD1 LEU 93 + H GLU 94 OK 74 100 - 74 - 3.8/459=23, 5806=19...(12) QD2 LEU 91 + H GLU 94 OK 34 95 - 36 - 8376/3.6=9, 7589/4.6=7...(7) QD2 LEU 114 + H GLU 94 OK 21 76 - 28 - 7948/4.6=6, 2.1/1239=3...(8) QD2 LEU 55 + H GLU 94 OK 16 85 - 19 - 8498=3, 3.1/1239=2...(6) HG13 ILE 22 + H GLU 94 OK 11 98 - 11 - 8476/4.4=2, 4476/3.6=2...(4) QD1 LEU 59 + H GLU 94 OK 10 95 - 11 - 4490/4.4=2, 2.1/461=2...(5) QG1 VAL 115 - H GLU 94 lone 10 100 - 10 - 7965/4.4=2, 4476/3.6=2...(4) HB2 ASN 118 - H GLU 94 lone 5 99 - 5 - QD1 ILE 22 - H GLU 94 lone 4 63 - 7 - 6442/4.4=1 Peak 465 from nnoeabs.peaks (8.54, 8.40, 115.99 ppm; 4.09 A): 3 out of 5 assignments used, quality = 0.92: * H GLU 94 + H THR 95 OK 89 100 - 89 - 4.6=69, 3.0/5807=32...(7) H ARG 53 + H THR 95 OK 19 100 - 19 - 1619=3, 4512/3.6=2...(9) H GLU 38 + H THR 95 OK 11 85 - 13 - 4512/3.6=2, 4524/4.7=2...(6) H GLY 86 - H THR 95 poor 10 83 - 12 - 1698/3.0=2, 4.7/468=2...(4) H LEU 41 - H THR 95 lone 9 100 - 9 - 4512/3.6=2, 4518/4.7=1...(4) Peak 466 from nnoeabs.peaks (4.27, 8.40, 115.99 ppm; 2.65 A): 1 out of 12 assignments used, quality = 0.60: * HA GLU 94 + H THR 95 OK 60 100 - 60 - 3.6=41, 2.9/5808=9...(7) HA LEU 58 - H THR 95 lone 6 87 - 7 - 5807=3 HA GLU 64 - H THR 95 lone 5 96 - 6 - HA GLN 103 - H THR 95 lone 5 100 - 5 - HA LYS 65 - H THR 95 lone 3 83 - 4 - HA3 GLY 48 - H THR 95 lone 3 73 - 4 - HA LEU 114 - H THR 95 lone 2 73 - 3 - HB3 SER 113 - H THR 95 lone 2 63 - 3 - 7642/4.6=2 HB2 SER 78 - H THR 95 lone 1 60 - 2 - HA ALA 122 - H THR 95 lone 1 100 - 1 - HB THR 19 - H THR 95 lone 1 76 - 1 - HA ALA 89 - H THR 95 lone 0 60 - 0 - Peak 467 from nnoeabs.peaks (2.00, 8.40, 115.99 ppm; 3.73 A): 3 out of 14 assignments used, quality = 0.88: * HB2 GLU 94 + H THR 95 OK 84 100 - 84 - 4.7=52, 2.9/5807=29...(8) HB3 PRO 68 + H THR 95 OK 14 92 - 15 - 1.8/469=3, 4514/3.6=2...(9) HG2 PRO 68 + H THR 95 OK 12 87 - 14 - 2.3/469=2, 2.3/1245=2...(7) HB3 GLN 103 - H THR 95 lone 9 92 - 10 - 4733/3.6=2, 3.0/466=2 HB3 ARG 53 - H THR 95 poor 9 71 - 12 - 4.0/465=3, 5808=2...(5) HB2 LEU 41 - H THR 95 lone 6 92 - 7 - 1239/4.6=2, 4.1/465=1 HG LEU 114 - H THR 95 lone 6 87 - 7 - 1239/4.6=1, 4514/3.6=1 HB ILE 124 - H THR 95 lone 6 92 - 6 - 2.1/1246=2 HB2 LEU 55 - H THR 95 lone 4 100 - 4 - 1239/4.6=1 HB2 LYS 46 - H THR 95 lone 3 100 - 3 - HG LEU 45 - H THR 95 lone 2 68 - 4 - HG2 PRO 60 - H THR 95 lone 2 100 - 2 - HB2 MET 11 - H THR 95 lone 2 96 - 2 - HB2 ARG 71 - H THR 95 lone 1 73 - 1 - Peak 468 from nnoeabs.peaks (1.95, 8.40, 115.99 ppm; 3.70 A): 4 out of 20 assignments used, quality = 0.89: * HB3 GLU 94 + H THR 95 OK 83 100 - 83 - 4.7=50, 2.9/5807=28...(7) HB2 ARG 85 + H THR 95 OK 14 99 - 14 - 5809=3, 1.8/5809=2...(5) HB3 ARG 85 + H THR 95 OK 14 99 - 14 - 5809=3, 1.8/5809=2...(5) HG LEU 58 + H THR 95 OK 11 81 - 14 - 2.1/1246=3, 2.1/1246=2...(8) HB2 GLU 38 - H THR 95 lone 9 96 - 10 - 3.8/465=2, 1240/4.6=1...(5) HG2 PRO 68 - H THR 95 poor 9 68 - 13 - 2.3/467=3, 2.3/469=2...(4) HB2 GLU 64 - H THR 95 lone 8 90 - 9 - 3.0/466=2, 3.0/5810=2...(4) HB3 GLU 64 - H THR 95 lone 8 87 - 9 - 3.0/466=2, 3.0/5810=2 HB3 PRO 68 - H THR 95 poor 7 60 - 12 - 1.8/469=3, 2.3/467=2...(4) HB3 GLN 103 - H THR 95 lone 5 60 - 8 - 3.0/466=2, 4733/3.6=2 HG LEU 114 - H THR 95 lone 4 68 - 5 - HG LEU 45 - H THR 95 lone 3 87 - 4 - HB ILE 124 - H THR 95 lone 3 60 - 5 - 2.1/1246=2 HB2 LEU 41 - H THR 95 lone 3 60 - 4 - 4.1/465=1, 2784/4.6=1 HB3 PRO 30 - H THR 95 lone 2 99 - 2 - HB3 GLU 69 - H THR 95 lone 2 97 - 2 - HB3 LYS 119 - H THR 95 lone 2 97 - 2 - HB2 LYS 109 - H THR 95 lone 2 90 - 2 - HB2 ARG 71 - H THR 95 lone 1 83 - 1 - HB2 LEU 21 - H THR 95 lone 1 65 - 1 - Peak 469 from nnoeabs.peaks (2.24, 8.40, 115.99 ppm; 4.07 A): 2 out of 14 assignments used, quality = 0.93: * HG2 GLU 94 + H THR 95 OK 86 100 - 86 - 5.0=55, 4.2/5807=24...(9) HG3 GLU 94 + H THR 95 OK 49 57 - 86 - 5.0=55, 4.2/5807=24...(9) HB2 PRO 68 - H THR 95 OK 18 100 - 18 - 1.8/467=4, 2.3/467=3...(8) HG3 GLU 64 - H THR 95 OK 14 100 - 14 - 5810=3, 3.9/466=2...(7) HG2 GLU 38 - H THR 95 OK 11 100 - 11 - 4516/3.6=2, 1241/4.6=2...(6) HG3 GLU 38 - H THR 95 OK 11 100 - 11 - 4516/3.6=2, 1241/4.6=2...(6) HB2 CYS 87 - H THR 95 poor 8 57 - 13 - 8530/4.0=9, 7547/7622=1 HB2 PRO 70 - H THR 95 lone 6 100 - 6 - HG3 GLU 28 - H THR 95 lone 5 99 - 5 - 5810=1, 1.8/5810=1 HG2 GLU 28 - H THR 95 lone 5 98 - 5 - 5810=1, 1.8/5810=1 HB3 LEU 117 - H THR 95 lone 4 99 - 4 - HB3 PRO 37 - H THR 95 lone 3 73 - 4 - 3.9/465=2 HG2 GLU 56 - H THR 95 lone 3 99 - 3 - HG3 GLU 15 - H THR 95 lone 2 96 - 2 - Peak 470 from nnoeabs.peaks (2.27, 8.40, 115.99 ppm; 3.75 A): 3 out of 11 assignments used, quality = 0.90: * HG3 GLU 94 + H THR 95 OK 79 100 - 79 - 5.0=43, 4.2/5807=20...(9) HG2 GLU 94 + H THR 95 OK 45 57 - 79 - 5.0=43, 4.2/5807=20...(9) HB2 CYS 87 + H THR 95 OK 17 100 - 17 - 8530/4.0=10, 1242/4.6=3...(4) HG3 GLU 38 - H THR 95 lone 5 63 - 8 - 3.0/468=1, 4517/3.6=1...(4) HG2 GLU 38 - H THR 95 lone 5 60 - 8 - 3.0/468=1, 4517/3.6=1, 5.0/465=1 HG3 GLN 105 - H THR 95 lone 3 95 - 3 - HB2 PRO 70 - H THR 95 lone 3 71 - 4 - HG2 GLN 105 - H THR 95 lone 3 93 - 3 - HG2 GLU 56 - H THR 95 lone 2 76 - 2 - HG3 GLU 15 - H THR 95 lone 1 87 - 2 - HB VAL 120 - H THR 95 lone 1 60 - 2 - Peak 471 from nnoeabs.peaks (8.40, 7.39, 117.52 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.92: * H THR 95 + H PHE 96 OK 89 100 - 89 - 4.6=74, 3.0/472=23...(6) H ILE 80 + H PHE 96 OK 22 71 - 31 - 3.5/472=6, 4.5/473=5...(9) H LEU 51 - H PHE 96 poor 9 76 - 12 - 4.8/7631=3, 4542/3.6=2...(4) Peak 472 from nnoeabs.peaks (4.55, 7.39, 117.52 ppm; 3.46 A): 1 out of 7 assignments used, quality = 0.96: * HA THR 95 + H PHE 96 OK 96 100 - 96 - 3.6=92, 3.0/5813=18...(6) HA ASN 79 - H PHE 96 OK 31 100 - 31 - 3.0/473=5, 4048=5...(9) HA GLU 82 - H PHE 96 OK 11 100 - 11 - 4165/3.6=2, 4551/4.1=1...(6) HA ASN 99 - H PHE 96 lone 7 99 - 8 - 4709/4.5=2, ~8699=2 HA LEU 27 - H PHE 96 lone 5 95 - 6 - 4709/4.5=1, 6539/6.5=1 HA GLU 69 - H PHE 96 lone 2 57 - 4 - ~8736=2 HB THR 121 - H PHE 96 lone 2 96 - 2 - Peak 473 from nnoeabs.peaks (3.89, 7.39, 117.52 ppm; 2.98 A): 4 out of 14 assignments used, quality = 0.77: * HB THR 95 + H PHE 96 OK 61 100 - 61 - 4.4=30, 2.1/474=15...(9) HB3 ASN 79 + H PHE 96 OK 22 99 - 23 - 4544/3.6=4, 3.0/472=4...(8) HD2 PRO 68 + H PHE 96 OK 14 76 - 19 - 3.8/1248=3, ~8315=2...(7) HD3 PRO 68 + H PHE 96 OK 13 71 - 18 - 3.8/1248=3, ~8315=2...(7) HA ARG 53 - H PHE 96 lone 3 100 - 3 - HB3 SER 112 - H PHE 96 lone 3 100 - 3 - HB2 SER 112 - H PHE 96 lone 3 100 - 3 - HA ILE 34 - H PHE 96 lone 2 93 - 2 - HB THR 62 - H PHE 96 lone 1 71 - 1 - HA THR 33 - H PHE 96 lone 1 60 - 2 - HB THR 33 - H PHE 96 lone 1 63 - 1 - HA2 GLY 2 - H PHE 96 lone 1 93 - 1 - HA3 GLY 2 - H PHE 96 lone 1 93 - 1 - HB2 SER 13 - H PHE 96 lone 1 85 - 1 - Peak 474 from nnoeabs.peaks (0.97, 7.39, 117.52 ppm; 3.52 A): 2 out of 8 assignments used, quality = 0.87: * QG2 THR 95 + H PHE 96 OK 85 100 - 85 - 4.1=62, 2.1/5813=24...(11) QD1 LEU 101 + H PHE 96 OK 18 97 - 19 - 8744/4.5=4, 4545/3.6=2...(8) HG3 LYS 65 - H PHE 96 lone 7 99 - 7 - 4.0/7642=2 HG2 LYS 65 - H PHE 96 lone 7 99 - 7 - 4.0/7642=2 QD2 LEU 58 - H PHE 96 lone 6 85 - 7 - 4545/3.6=2, 1246/4.6=1 QG1 VAL 18 - H PHE 96 lone 6 97 - 6 - 4545/3.6=1 QG2 ILE 124 - H PHE 96 lone 5 89 - 5 - QD1 LEU 58 - H PHE 96 lone 3 65 - 5 - 4712/4.5=1, 8749/3.6=1 Peak 475 from nnoeabs.peaks (7.39, 9.21, 119.92 ppm; 4.60 A): 1 out of 6 assignments used, quality = 1.00: * H PHE 96 + H ASP 97 OK 100 100 - 100 - 4.4=100 H LYS 32 - H ASP 97 poor 9 85 - 11 - 4568/4.3=3, 4561/4.3=2...(5) HD21 ASN 79 - H ASP 97 lone 7 95 - 7 - 4561/4.3=2, 4568/4.3=2 H GLU 75 - H ASP 97 lone 5 100 - 4 - 4568/4.3=1, 4561/4.3=1 H SER 72 - H ASP 97 lone 2 68 - 2 - HE21 GLN 16 - H ASP 97 lone 1 81 - 1 - Peak 476 from nnoeabs.peaks (4.81, 9.21, 119.92 ppm; 3.20 A): 2 out of 2 assignments used, quality = 0.88: * HA PHE 96 + H ASP 97 OK 85 100 - 85 - 3.6=72, 3.0/478=16...(7) HA TYR 67 + H ASP 97 OK 17 92 - 18 - 4562/4.3=3, 4569/4.3=3...(5) Peak 477 from nnoeabs.peaks (3.52, 9.21, 119.92 ppm; 3.44 A): 3 out of 5 assignments used, quality = 0.88: * HB2 PHE 96 + H ASP 97 OK 84 100 - 84 - 4.3=52, 1.8/478=26...(10) HA LEU 84 + H ASP 97 OK 18 90 - 20 - 3.9/7482=5, 4597/4.4=4...(5) HB2 ASP 47 + H ASP 97 OK 13 68 - 19 - 1.8/1257=5, 7648/3.9=5...(4) HB2 PHE 83 - H ASP 97 lone 9 100 - 9 - 4597/4.4=2, 1249/4.4=2...(4) HB3 SER 44 - H ASP 97 lone 2 85 - 2 - Peak 478 from nnoeabs.peaks (2.93, 9.21, 119.92 ppm; 3.59 A): 1 out of 5 assignments used, quality = 0.85: * HB3 PHE 96 + H ASP 97 OK 85 100 - 85 - 4.3=58, 3.0/476=26...(8) HE3 LYS 32 - H ASP 97 lone 10 99 - 10 - 4564/4.3=2, 1250/4.4=2...(5) HE2 LYS 32 - H ASP 97 lone 10 99 - 10 - 4564/4.3=2, 1250/4.4=2...(5) HG3 GLU 82 - H ASP 97 lone 5 89 - 6 - 4598/4.4=1, 1250/4.4=1 HB2 ASN 106 - H ASP 97 lone 3 63 - 4 - Peak 481 from nnoeabs.peaks (7.27, 9.21, 119.92 ppm; 3.83 A): 2 out of 7 assignments used, quality = 0.95: * QD PHE 96 + H ASP 97 OK 90 100 - 90 - 4.4=64, 2.4/478=27...(13) QE PHE 96 + H ASP 97 OK 46 76 - 60 - 2.2/4702=18, 4.4/478=16...(9) HE ARG 57 - H ASP 97 OK 21 100 - 21 - 2.9/7644=7, 7654/3.9=2...(8) H VAL 26 - H ASP 97 lone 8 85 - 9 - 4600/4.4=1, 1253/4.4=1...(4) HE ARG 71 - H ASP 97 lone 5 93 - 5 - HD1 TRP 20 - H ASP 97 lone 4 89 - 4 - HZ PHE 40 - H ASP 97 lone 3 71 - 4 - Peak 482 from nnoeabs.peaks (9.21, 9.21, 128.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ALA 98 + H ALA 98 OK 100 100 - 100 Reference assignment not found: H ASP 97 - H ALA 98 Peak 483 from nnoeabs.peaks (4.84, 9.21, 128.57 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.79: * HA ASP 97 + H ALA 98 OK 79 100 - 79 - 3.6=65, 3.0/485=14...(9) HA TYR 67 - H ALA 98 lone 7 81 - 8 - 7663/2.9=2, 8699/4.6=1 Peak 484 from nnoeabs.peaks (2.79, 9.21, 128.57 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.97: * HB2 ASP 97 + H ALA 98 OK 95 100 - 95 - 4.6=75, 3.0/483=37...(9) HB2 ASN 108 + H ALA 98 OK 37 100 - 37 - 4869/3.0=7, 3.0/1259=6...(15) HB2 CYS 76 - H ALA 98 lone 2 63 - 4 - Peak 485 from nnoeabs.peaks (2.60, 9.21, 128.57 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.94: * HB3 ASP 97 + H ALA 98 OK 94 100 - 94 - 4.6=76, 3.0/483=37...(11) HB3 ASP 47 - H ALA 98 OK 15 96 - 16 - 4599/3.6=7, 4603/4.6=4...(4) Peak 486 from nnoeabs.peaks (9.21, 8.79, 113.48 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.91: * H ALA 98 + H ASN 99 OK 76 100 - 76 - 4.6=51, 2.9/488=18...(8) H ASP 97 + H ASN 99 OK 64 100 - 64 - 4.6/1501=16, 3.9/7650=15...(10) Peak 487 from nnoeabs.peaks (4.13, 8.79, 113.48 ppm; 4.29 A): 1 out of 12 assignments used, quality = 1.00: * HA ALA 98 + H ASN 99 OK 100 100 - 100 - 3.6=100 HA ASN 108 - H ASN 99 OK 40 99 - 40 - 5824=9, 3.0/1264=9...(10) HA PHE 83 - H ASN 99 OK 18 97 - 18 - 3.0/1265=3, ~8361=2...(7) HA PRO 37 - H ASN 99 OK 13 99 - 13 - 3.8/6700=3, 2.3/6702=2...(5) HB3 SER 78 - H ASN 99 OK 11 97 - 11 - 4.5/1265=5, 5735/5.5=2 HA ILE 124 - H ASN 99 lone 10 100 - 10 - 8112/3.5=1 HA ILE 63 - H ASN 99 lone 8 100 - 8 - 3.2/7673=1, 4612/3.5=1 HA GLU 28 - H ASN 99 lone 7 81 - 9 - ~6179=2, ~99=1 HA ARG 57 - H ASN 99 lone 6 76 - 9 - 4.5/7676=1, 5824=1, 1724/4.6=1 HA3 GLY 25 - H ASN 99 lone 6 76 - 8 - 3.0/1265=2, 2239/5.5=2 HB2 SER 113 - H ASN 99 lone 5 90 - 5 - HB3 SER 72 - H ASN 99 lone 2 100 - 2 - Peak 488 from nnoeabs.peaks (1.42, 8.79, 113.48 ppm; 3.35 A): 2 out of 14 assignments used, quality = 0.94: * QB ALA 98 + H ASN 99 OK 93 100 - 93 - 3.5=88, 2.9/1501=20...(9) HB3 LEU 101 + H ASN 99 OK 16 90 - 18 - 4.0/1728=10, 7692/4.6=1 HB2 LEU 27 - H ASN 99 poor 8 68 - 12 - 3.0/1262=2, 4.0/1266=2...(4) HB3 LEU 91 - H ASN 99 lone 8 99 - 8 - 3.1/7673=2 HB VAL 110 - H ASN 99 poor 6 60 - 10 - ~7668=2, ~8360=1, 6199/3.6=1 HB3 LEU 45 - H ASN 99 lone 6 65 - 9 - 3.1/7674=2, ~7677=1, 7679/4.1=1 QB ALA 122 - H ASN 99 lone 6 97 - 6 - 5825=1 HB2 LEU 51 - H ASN 99 lone 6 100 - 6 - QB ALA 89 - H ASN 99 lone 4 89 - 5 - 5825=1 HD2 LYS 65 - H ASN 99 lone 3 83 - 3 - HD3 LYS 65 - H ASN 99 lone 3 83 - 3 - HB3 GLU 75 - H ASN 99 lone 3 65 - 4 - 7679/4.1=1 HG LEU 24 - H ASN 99 lone 1 65 - 2 - HG LEU 59 - H ASN 99 lone 1 81 - 2 - Peak 489 from nnoeabs.peaks (8.79, 8.22, 121.30 ppm; 3.58 A): 3 out of 4 assignments used, quality = 0.83: * H ASN 99 + H ASP 100 OK 73 100 - 73 - 4.6=47, 4626/4.6=14...(11) H ASN 99 + H MET 11 OK 30 94 - 31 - 1502=13, 3.0/5826=4...(10) H GLU 15 + H ASP 100 OK 12 89 - 14 - 4614/3.6=4, 1728/4.6=3...(4) H GLU 15 - H MET 11 lone 2 80 - 3 - Peak 490 from nnoeabs.peaks (4.56, 8.22, 121.30 ppm; 4.28 A): 1 out of 16 assignments used, quality = 1.00: * HA ASN 99 + H ASP 100 OK 100 100 - 100 - 3.6=100 HA ASN 99 - H MET 11 OK 29 94 - 31 - 3.0/1502=11, 5826=8...(7) HA ASN 79 - H ASP 100 OK 24 97 - 25 - 4627/4.6=5, 4621/4.6=4...(9) HA LEU 27 - H ASP 100 OK 10 81 - 13 - 4627/4.6=3, 1727/4.6=2...(5) HA THR 95 - H ASP 100 lone 9 99 - 9 - 1727/4.6=3, 7617/7685=2 HA GLU 82 - H ASP 100 lone 7 96 - 8 - 1262/4.6=2, 4627/4.6=2...(4) HA ASP 47 - H ASP 100 lone 7 76 - 9 - 3.0/6894=3, 3.0/7691=2 HA ASN 79 - H MET 11 lone 6 90 - 6 - HA GLU 69 - H ASP 100 lone 4 78 - 6 - 1727/4.6=1 HB THR 121 - H ASP 100 lone 4 100 - 4 - 1727/4.6=1 HA ASP 47 - H MET 11 lone 3 67 - 4 - 3.0/6894=1 HA THR 95 - H MET 11 lone 2 91 - 3 - HA GLU 82 - H MET 11 lone 2 87 - 2 - HA LEU 27 - H MET 11 lone 2 72 - 3 - HA GLU 69 - H MET 11 lone 2 69 - 3 - HB THR 121 - H MET 11 lone 1 94 - 1 - Peak 491 from nnoeabs.peaks (2.84, 8.22, 121.30 ppm; 3.84 A): 5 out of 20 assignments used, quality = 0.90: * HB2 ASN 99 + H ASP 100 OK 75 100 - 75 - 4.6=57, 1.8/5828=22...(6) HB3 PHE 107 + H ASP 100 OK 26 100 - 26 - 5827=5, 4616/3.6=4...(9) HB2 ASN 99 + H MET 11 OK 21 94 - 22 - 4.1/1502=7, 1.8/5828=6...(4) HB2 ASN 79 + H ASP 100 OK 20 100 - 20 - 4616/3.6=4, 3.5/8145=3...(8) HB2 CYS 76 + H ASP 100 OK 18 78 - 23 - 7331/3.6=6, 1.8/1270=4...(9) HB3 TYR 67 - H ASP 100 lone 9 100 - 9 - 4616/3.6=3, 1263/4.6=2 HB2 TYR 67 - H ASP 100 lone 9 100 - 9 - 4616/3.6=3, 1263/4.6=2 HB2 ASN 79 - H MET 11 lone 5 94 - 5 - HB3 PHE 107 - H MET 11 lone 4 94 - 5 - HG CYS 52 - H MET 11 lone 4 89 - 4 - 3.4/790=2, ~1843=1 HB2 CYS 76 - H MET 11 lone 3 69 - 5 - HG CYS 52 - H ASP 100 lone 3 97 - 3 - HB2 ASP 36 - H ASP 100 lone 3 100 - 3 - HB3 TYR 67 - H MET 11 lone 2 94 - 2 - HB2 TYR 67 - H MET 11 lone 2 94 - 2 - HE3 LYS 119 - H MET 11 lone 2 72 - 2 - HE2 LYS 119 - H MET 11 lone 1 69 - 2 - HE3 LYS 119 - H ASP 100 lone 1 81 - 1 - HE2 LYS 119 - H ASP 100 lone 1 78 - 1 - HB2 ASP 36 - H MET 11 lone 1 94 - 1 - Peak 492 from nnoeabs.peaks (2.72, 8.22, 121.30 ppm; 4.37 A): 3 out of 8 assignments used, quality = 0.98: * HB3 ASN 99 + H ASP 100 OK 92 100 - 92 - 4.6=84, 4.1/1502=22...(4) HB3 ASN 106 + H ASP 100 OK 48 100 - 48 - 7693/2.9=12, ~7805=7...(12) HB3 ASN 108 + H ASP 100 OK 48 100 - 48 - 8149/3.8=12, 7693/2.9=10...(10) HB3 ASN 99 - H MET 11 OK 30 94 - 32 - 5828=10, 4.1/1502=8...(5) HB3 ASN 106 - H MET 11 OK 12 94 - 13 - 1.8/1269=2, 3.0/5=2...(6) HB3 ASN 108 - H MET 11 lone 9 94 - 9 - 8149/4640=1, 1264/1502=1 HE3 LYS 65 - H ASP 100 lone 4 78 - 4 - HE3 LYS 65 - H MET 11 lone 1 69 - 2 - Peak 495 from nnoeabs.peaks (8.22, 6.97, 115.79 ppm; 3.43 A): 3 out of 4 assignments used, quality = 0.75: * H ASP 100 + H LEU 101 OK 64 100 - 64 - 4.6=41, 4.6/1728=9...(8) H MET 11 + H LEU 101 OK 22 95 - 23 - 1503=6, 4632/3.6=5...(7) H LEU 21 + H LEU 101 OK 12 87 - 14 - 3.8/1277=3, 1732/4.6=2...(6) H VAL 49 - H LEU 101 lone 1 63 - 2 - Peak 496 from nnoeabs.peaks (4.35, 6.97, 115.79 ppm; 4.27 A): 1 out of 8 assignments used, quality = 1.00: * HA ASP 100 + H LEU 101 OK 100 100 - 100 - 3.6=100 HA PHE 40 - H LEU 101 OK 31 95 - 32 - 2737/4.3=7, 3.0/1504=7...(10) HA MET 11 - H LEU 101 OK 18 92 - 20 - 2.9/495=9, 1838/4.6=4...(6) HA CYS 76 - H LEU 101 OK 12 99 - 12 - 3981/4.3=3, 3.0/498=2...(4) HA GLN 105 - H LEU 101 poor 8 63 - 12 - 4641/4.3=3, 3.0/1273=2...(5) HB THR 116 - H LEU 101 lone 7 83 - 8 - 2.1/7729=4 HA SER 35 - H LEU 101 lone 6 71 - 8 - 3.6/1730=4, 1731/4.6=1 HB THR 17 - H LEU 101 lone 5 76 - 7 - 8160/7890=1 Peak 497 from nnoeabs.peaks (2.89, 6.97, 115.79 ppm; 4.11 A): 2 out of 6 assignments used, quality = 0.95: * HB2 ASP 100 + H LEU 101 OK 93 100 - 93 - 4.3=87, 3.8/495=19...(6) HB2 PHE 40 + H LEU 101 OK 36 100 - 36 - 4634/3.6=7, 4642/4.3=6...(9) HB3 ASN 12 - H LEU 101 OK 35 97 - 36 - 1885=9, 1.8/1879=6...(12) HB2 ASN 106 - H LEU 101 OK 25 99 - 25 - 7805/3.6=8, 7803/4.3=7...(6) HE2 LYS 32 - H LEU 101 lone 6 63 - 9 - 3.8/7729=3, 3.0/1275=1 HE3 LYS 32 - H LEU 101 lone 6 60 - 9 - 3.8/7729=3, 3.0/1275=1 Peak 498 from nnoeabs.peaks (3.12, 6.97, 115.79 ppm; 4.23 A): 2 out of 7 assignments used, quality = 0.99: * HB3 ASP 100 + H LEU 101 OK 97 100 - 97 - 4.3=95, 3.8/495=20...(6) HB2 PHE 107 + H LEU 101 OK 51 100 - 51 - 2.4/4860=10, 4832=9...(14) HD3 ARG 57 - H LEU 101 OK 19 99 - 19 - 4635/3.6=4, 4639/4.3=2...(6) HB3 CYS 76 - H LEU 101 OK 16 100 - 16 - 3987/3.6=4, 1270/4.6=3...(6) HD3 ARG 53 - H LEU 101 lone 7 81 - 9 - 3152/4.9=1, 3.0/1275=1 HD3 ARG 81 - H LEU 101 lone 7 93 - 7 - HB3 CYS 52 - H LEU 101 lone 6 100 - 6 - Peak 499 from nnoeabs.peaks (6.97, 8.48, 119.10 ppm; 3.68 A): 4 out of 4 assignments used, quality = 0.88: * H LEU 101 + H TYR 102 OK 76 100 - 76 - 4.6=51, 1730/4.6=11...(13) QE PHE 107 + H TYR 102 OK 27 89 - 30 - 4672/4.9=6, 4644/3.6=6...(7) HD22 ASN 12 + H TYR 102 OK 20 95 - 21 - 4644/3.6=3, 3.5/1281=3...(9) HD22 ASN 108 + H TYR 102 OK 14 100 - 14 - 4644/3.6=2, 4672/4.9=1...(8) Peak 500 from nnoeabs.peaks (4.49, 8.48, 119.10 ppm; 4.30 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 101 + H TYR 102 OK 100 100 - 100 - 3.6=100 HA PRO 30 - H TYR 102 OK 29 97 - 29 - 8245/4.6=5, 5512=5...(11) HA PRO 70 - H TYR 102 OK 26 99 - 26 - 2.3/501=5, 3805/4.6=4...(8) HA LEU 91 - H TYR 102 OK 19 93 - 21 - 4375/4.6=4, 4673/4.9=4...(7) HA ARG 71 - H TYR 102 OK 17 99 - 17 - 4673/4.9=3, 4680/4.9=2...(6) HA SER 90 - H TYR 102 lone 3 63 - 5 - HB THR 23 - H TYR 102 lone 3 76 - 3 - HA PRO 60 - H TYR 102 lone 2 73 - 3 - Peak 501 from nnoeabs.peaks (2.10, 8.48, 119.10 ppm; 4.10 A): 3 out of 11 assignments used, quality = 0.92: * HB2 LEU 101 + H TYR 102 OK 86 100 - 86 - 4.6=69, 4.0/499=15...(12) HB3 PRO 70 + H TYR 102 OK 27 100 - 27 - 3817/3.6=6, 7257/4.6=6...(6) HG LEU 21 + H TYR 102 OK 23 89 - 26 - 3.0/505=5, 2122/4.9=4...(7) HB2 GLU 15 - H TYR 102 OK 18 95 - 19 - 5445=2, 4646/3.6=2...(11) HB3 GLN 16 - H TYR 102 OK 13 83 - 16 - 3.0/1279=3, 3.0/1966=1 HB2 GLN 16 - H TYR 102 OK 13 81 - 16 - 3.0/1279=3, 3.0/1966=1 HG3 GLU 69 - H TYR 102 lone 8 98 - 8 - 4.0/1733=1 HB2 LEU 114 - H TYR 102 lone 8 87 - 9 - 4681/4.9=1, 4674/4.9=1...(4) HB2 ARG 57 - H TYR 102 lone 6 63 - 10 - ~7748=1, 3.0/1734=1...(4) HB2 GLN 105 - H TYR 102 lone 4 76 - 5 - 1273/4.6=1 HG2 GLU 64 - H TYR 102 lone 2 63 - 3 - Peak 502 from nnoeabs.peaks (1.44, 8.48, 119.10 ppm; 4.17 A): 2 out of 17 assignments used, quality = 0.93: * HB3 LEU 101 + H TYR 102 OK 89 100 - 89 - 4.6=72, 1.8/501=16...(10) QB ALA 98 + H TYR 102 OK 39 90 - 43 - 4.5/6179=12, 7655=9...(14) HD2 LYS 46 - H TYR 102 OK 27 85 - 32 - 8574/2.9=5, ~7737=5...(10) HB3 LEU 45 - H TYR 102 OK 26 97 - 27 - 6840/4.9=7, 3.1/7735=5...(9) HB3 LEU 91 - H TYR 102 OK 22 97 - 23 - 8364/4.9=6, 4387/3.6=6...(6) HD2 LYS 65 - H TYR 102 OK 21 100 - 21 - 2.9/504=3, 2.9/504=3...(10) HD3 LYS 65 - H TYR 102 OK 21 100 - 21 - 2.9/504=3, 2.9/504=3...(10) HG3 LYS 31 - H TYR 102 OK 14 73 - 18 - 1.8/2425=2, 3.0/503=2...(9) HB2 LEU 51 - H TYR 102 OK 13 85 - 15 - 4682/4.9=2, 4675/4.9=2...(7) HB3 GLU 75 - H TYR 102 OK 12 97 - 13 - 7318/3.6=2, 8332/4.5=2 HG2 LYS 119 - H TYR 102 OK 12 81 - 15 - ~7748=3, ~7737=3...(4) QB ALA 89 - H TYR 102 lone 8 100 - 8 - 7566/4.6=1, 7655=1 QB ALA 14 - H TYR 102 poor 8 68 - 12 - 6316/4.6=3, 3.7/1430=1 HG3 ARG 57 - H TYR 102 lone 5 63 - 8 - ~7748=2, 3.6/1734=1 HG LEU 24 - H TYR 102 lone 5 97 - 5 - HB2 LEU 93 - H TYR 102 lone 5 68 - 7 - 7610/4.9=1 QB ALA 122 - H TYR 102 lone 3 68 - 4 - Peak 503 from nnoeabs.peaks (1.62, 8.48, 119.10 ppm; 4.68 A): 6 out of 19 assignments used, quality = 0.92: * HG LEU 101 + H TYR 102 OK 69 100 - 69 - 2.1/505=21, 3.0/501=15...(9) HG2 PRO 30 + H TYR 102 OK 31 99 - 31 - 3.8/500=4, 8249/4.9=4...(12) HD3 LYS 31 + H TYR 102 OK 25 100 - 25 - 3.0/2425=2, 4648/3.6=2...(15) HD2 LYS 31 + H TYR 102 OK 25 100 - 25 - 3.0/2425=2, 4648/3.6=2...(15) HD3 LYS 32 + H TYR 102 OK 20 98 - 20 - 2.9/7736=4, ~7748=3...(10) HD2 LYS 32 + H TYR 102 OK 20 98 - 20 - 2.9/7736=4, ~7748=3...(10) HG LEU 51 - H TYR 102 OK 20 92 - 22 - 3090/4.6=3, 4676/4.9=3...(7) HB3 GLN 42 - H TYR 102 OK 18 89 - 21 - 6775/4.6=3, 4676/4.9=3...(7) HD3 LYS 119 - H TYR 102 OK 15 78 - 19 - ~7748=5, 7748/2.9=3...(5) HB3 LYS 32 - H TYR 102 OK 15 83 - 18 - 3.0/7736=4, ~7748=2...(9) HD2 LYS 119 - H TYR 102 OK 14 76 - 19 - ~7748=4, 7748/2.9=3...(5) HG2 ARG 53 - H TYR 102 OK 14 98 - 14 - 4671/4.9=3, 5835=2...(7) HB ILE 34 - H TYR 102 OK 14 63 - 22 - 2.9/7735=4, 2.1/6620=4...(5) HG3 ARG 85 - H TYR 102 OK 10 68 - 15 - 7500/4.6=2, 3.0/1280=2...(5) HB2 LEU 59 - H TYR 102 lone 5 100 - 5 - HG12 ILE 63 - H TYR 102 lone 4 89 - 5 - 3.7/1734=1 HB3 LEU 126 - H TYR 102 lone 4 90 - 4 - HB2 LEU 126 - H TYR 102 lone 4 89 - 4 - HG LEU 126 - H TYR 102 lone 3 73 - 4 - Peak 504 from nnoeabs.peaks (0.99, 8.48, 119.10 ppm; 4.46 A): 2 out of 9 assignments used, quality = 0.95: * QD1 LEU 101 + H TYR 102 OK 93 100 - 93 - 4.9=77, 2.1/505=20...(15) HB3 LEU 27 + H TYR 102 OK 29 81 - 36 - 3.0/1733=5, 7739/2.9=4...(14) HG2 LYS 65 - H TYR 102 OK 29 100 - 29 - 4649/3.6=5, 4.9/1283=3...(11) HG3 LYS 65 - H TYR 102 OK 29 100 - 29 - 4649/3.6=5, 4.9/1283=3...(11) QD2 LEU 58 - H TYR 102 OK 24 99 - 24 - 7739/2.9=3, ~7739=2...(9) QD1 LEU 58 - H TYR 102 OK 22 90 - 24 - 7739/2.9=3, 4746/4.5=2...(10) QG1 VAL 18 - H TYR 102 OK 21 100 - 21 - 2.1/8405=4, 4649/3.6=2...(8) QG2 THR 95 - H TYR 102 OK 14 97 - 15 - 3.2/1733=3, 1276/4.6=2...(6) QG2 ILE 124 - H TYR 102 poor 7 63 - 11 - 3.2/1734=2, 4663/4.6=1...(5) Peak 505 from nnoeabs.peaks (1.03, 8.48, 119.10 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.94: * QD2 LEU 101 + H TYR 102 OK 92 100 - 92 - 4.9=74, 4650/3.6=19...(13) HB3 LEU 21 + H TYR 102 OK 30 87 - 35 - 4650/3.6=6, 4657/4.6=6...(8) HB3 LEU 27 - H TYR 102 OK 24 71 - 34 - 3.0/1733=5, 1.8/5500=3...(14) QG1 VAL 120 - H TYR 102 OK 23 100 - 23 - 4650/3.6=5, 4664/4.6=4...(7) QG2 THR 33 - H TYR 102 lone 6 83 - 7 - Peak 506 from nnoeabs.peaks (8.48, 7.89, 110.72 ppm; 3.73 A): 3 out of 8 assignments used, quality = 0.87: * H TYR 102 + H GLN 103 OK 80 100 - 80 - 4.6=52, 4.5/4736=13...(11) H PHE 40 + H GLN 103 OK 24 97 - 25 - 3.0/1737=5, 7780/4.6=3...(10) H GLU 28 + H GLN 103 OK 12 83 - 15 - 3.6/1738=2, 4737/4.7=2...(7) H LYS 31 - H GLN 103 poor 10 87 - 11 - 3.6/1735=2, 7780/4.6=1...(4) H LEU 84 - H GLN 103 lone 9 89 - 10 - 4686/3.6=1, 4737/4.7=1 H SER 13 - H GLN 103 lone 7 78 - 9 - 4.6/509=2, 17/4.6=1 H GLN 16 - H GLN 103 lone 6 60 - 9 - 3.6/7770=1, 3.0/507=1 H GLY 2 - H GLN 103 lone 3 98 - 3 - Peak 507 from nnoeabs.peaks (4.05, 7.89, 110.72 ppm; 4.27 A): 1 out of 8 assignments used, quality = 1.00: * HA TYR 102 + H GLN 103 OK 100 100 - 100 - 3.6=100 HA LYS 109 - H GLN 103 OK 44 99 - 44 - 3.0/1506=11, 7772/2.9=7...(12) HD3 PRO 37 - H GLN 103 OK 26 100 - 26 - 3.8/2638=4, 4.8/2642=3...(9) HA LEU 55 - H GLN 103 OK 15 97 - 16 - 7772/2.9=2, 7351/7336=2...(9) HA GLN 16 - H GLN 103 OK 13 93 - 14 - 7772/2.9=2, 1279/4.6=2...(6) HA SER 112 - H GLN 103 lone 7 96 - 8 - 4699/4.6=1, 7772/2.9=1 HA SER 44 - H GLN 103 lone 7 81 - 9 - 7772/2.9=1, 6819/6.8=1 HA ALA 14 - H GLN 103 lone 3 71 - 5 - Peak 508 from nnoeabs.peaks (3.04, 7.89, 110.72 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.94: * HB2 TYR 102 + H GLN 103 OK 89 100 - 89 - 4.6=67, 2.5/4736=24...(9) HE3 LYS 109 + H GLN 103 OK 26 92 - 29 - 4688/3.6=7, 4609/4.7=5...(9) HE2 LYS 109 + H GLN 103 OK 26 92 - 29 - 4688/3.6=7, 4609/4.7=5...(9) HD2 ARG 85 - H GLN 103 lone 8 100 - 8 - 4688/3.6=2, 4712/4.7=1...(4) Peak 509 from nnoeabs.peaks (3.00, 7.89, 110.72 ppm; 3.91 A): 5 out of 7 assignments used, quality = 0.92: * HB3 TYR 102 + H GLN 103 OK 85 100 - 85 - 4.6=60, 2.5/4736=22...(10) HB2 ASN 12 + H GLN 103 OK 16 93 - 17 - 3.5/1736=3, 1281/4.6=2...(9) HA VAL 110 + H GLN 103 OK 15 92 - 16 - 4610/4.7=3, 4689/3.6=3...(6) HE3 LYS 109 + H GLN 103 OK 14 63 - 23 - 1.8/508=6, 4689/3.6=4...(8) HE2 LYS 109 + H GLN 103 OK 14 63 - 23 - 1.8/508=6, 4689/3.6=4...(8) HE3 LYS 31 - H GLN 103 lone 3 65 - 5 - HE2 LYS 31 - H GLN 103 lone 3 65 - 5 - Peak 511 from nnoeabs.peaks (7.22, 7.89, 110.72 ppm; 4.29 A): 1 out of 6 assignments used, quality = 0.96: * QD TYR 102 + H GLN 103 OK 96 100 - 96 - 4.7=78, 2.5/508=22...(19) H LYS 65 - H GLN 103 OK 43 98 - 44 - 7163/5.0=7, 300/2.9=6...(15) QE PHE 40 - H GLN 103 OK 30 100 - 30 - 4691/3.6=4, 1283/4.6=4...(11) QE PHE 96 - H GLN 103 OK 16 78 - 21 - 1283/4.6=3, 7397/7396=3...(6) QD TYR 67 - H GLN 103 OK 11 76 - 15 - 7777/4.6=2, 1283/4.6=1...(6) H VAL 26 - H GLN 103 lone 5 68 - 7 - 1283/4.6=1 Peak 512 from nnoeabs.peaks (7.89, 7.47, 107.96 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.74: * H GLN 103 + H GLY 104 OK 71 100 - 71 - 4.6=42, 7769/3.0=14...(11) H ASP 36 + H GLY 104 OK 12 90 - 13 - 4716/3.6=4, 4732/4.4=3 Peak 513 from nnoeabs.peaks (4.27, 7.47, 107.96 ppm; 3.87 A): 1 out of 11 assignments used, quality = 1.00: * HA GLN 103 + H GLY 104 OK 100 100 - 100 - 3.6=100 HA LYS 65 - H GLY 104 OK 12 90 - 13 - 3.0/7777=4, 4733/4.4=3...(4) HA GLU 94 - H GLY 104 lone 8 100 - 8 - 4733/4.4=2, 4725/4.4=2...(4) HA GLU 64 - H GLY 104 lone 8 90 - 9 - 3.6/7777=4, 4733/4.4=1...(4) HA LEU 114 - H GLY 104 lone 6 83 - 8 - 4733/4.4=2, 4725/4.4=1 HB2 SER 78 - H GLY 104 lone 5 71 - 7 - 3.9/1507=3 HB THR 19 - H GLY 104 lone 3 65 - 5 - HA LEU 58 - H GLY 104 lone 3 78 - 4 - HA ALA 122 - H GLY 104 lone 2 100 - 2 - HB3 SER 113 - H GLY 104 lone 2 73 - 3 - HA3 GLY 48 - H GLY 104 lone 1 63 - 2 - Peak 514 from nnoeabs.peaks (2.37, 7.47, 107.96 ppm; 5.07 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 103 + H GLY 104 OK 100 100 - 100 - 4.4=100 HG2 MET 11 - H GLY 104 OK 25 99 - 26 - 4734/4.4=9, 4718/3.6=8...(5) HG2 GLU 15 - H GLY 104 OK 15 100 - 15 - 4718/3.6=3, 1286/4.6=3...(5) HG2 PRO 70 - H GLY 104 OK 14 76 - 19 - 3.8/8568=4, 5844=3...(6) HB VAL 18 - H GLY 104 OK 10 93 - 11 - 4718/3.6=2, 4734/4.4=2 HB3 ASN 118 - H GLY 104 lone 4 85 - 4 - 4718/3.6=1 HG3 GLN 16 - H GLY 104 lone 3 71 - 5 - Peak 515 from nnoeabs.peaks (1.98, 7.47, 107.96 ppm; 4.54 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLN 103 + H GLY 104 OK 100 100 - 100 - 4.4=100 HB2 LYS 46 - H GLY 104 OK 25 92 - 27 - 4.7/517=6, 1848/4.4=5...(8) HB2 MET 11 - H GLY 104 OK 20 100 - 21 - 4719/3.6=5, 1848/4.4=4...(5) HB2 LEU 41 - H GLY 104 OK 19 100 - 19 - 4.2/1451=5, 4.1/1588=3...(4) HB2 GLU 94 - H GLY 104 OK 11 92 - 12 - 4519/3.6=4, 2.9/513=2...(4) HG LEU 114 - H GLY 104 lone 10 100 - 10 - 4719/3.6=2, 1287/4.6=1...(5) HB2 ARG 71 - H GLY 104 lone 9 98 - 10 - 3.0/8568=3 HG LEU 45 - H GLY 104 lone 8 97 - 9 - 1287/4.6=1, 7704/7724=1 HB ILE 124 - H GLY 104 lone 6 100 - 6 - HB3 GLU 94 - H GLY 104 lone 5 60 - 8 - 2.9/513=2, 4525/3.6=2 HG2 PRO 60 - H GLY 104 lone 5 97 - 5 - HB2 LEU 55 - H GLY 104 lone 4 87 - 5 - HB3 PRO 68 - H GLY 104 lone 4 100 - 4 - HG2 PRO 68 - H GLY 104 lone 4 100 - 4 - Peak 517 from nnoeabs.peaks (2.52, 7.47, 107.96 ppm; 5.10 A): 3 out of 3 assignments used, quality = 0.81: * HG3 GLN 103 + H GLY 104 OK 63 100 - 63 - 5.0/512=27, 5847=27...(4) HE3 LYS 46 + H GLY 104 OK 35 83 - 43 - 4721/3.6=13, 4737/4.4=11...(6) HG2 GLU 82 + H GLY 104 OK 22 100 - 22 - 4721/3.6=5, 4737/4.4=5...(5) Peak 520 from nnoeabs.peaks (7.47, 8.09, 117.34 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.59: * H GLY 104 + H GLN 105 OK 54 100 - 54 - 4.7=42, 3.6/7766=8...(4) H LYS 109 + H GLN 105 OK 11 100 - 11 - 4756/3.6=3, 4759/3.6=3...(4) H ALA 43 - H GLN 105 lone 4 81 - 5 - 4756/3.6=1, 4759/3.6=1 Peak 521 from nnoeabs.peaks (3.71, 8.09, 117.34 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 104 + H GLN 105 OK 100 100 - 100 - 3.6=100 HD3 PRO 30 - H GLN 105 lone 4 73 - 6 - 4760/3.6=2, 1293/4.7=2 HB2 TRP 20 - H GLN 105 lone 4 98 - 4 - 4760/3.6=1 HA3 GLY 86 - H GLN 105 lone 2 99 - 2 - HA GLU 73 - H GLN 105 lone 2 60 - 3 - HB3 SER 90 - H GLN 105 lone 1 85 - 1 - Peak 522 from nnoeabs.peaks (3.86, 8.09, 117.34 ppm; 4.14 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 104 + H GLN 105 OK 100 100 - 100 - 3.6=100 HA THR 33 - H GLN 105 OK 24 100 - 25 - 3.0/2579=4, 2575=4...(9) HB THR 33 - H GLN 105 OK 22 99 - 22 - 2579=5, ~6619=5...(7) HA LEU 77 - H GLN 105 OK 15 87 - 17 - 3.0/1480=3, 5727=2...(9) HB3 ASN 79 - H GLN 105 OK 13 63 - 21 - ~8143=3, 3.9/373=3...(10) HA GLU 15 - H GLN 105 lone 7 99 - 7 - 1294/4.7=1 HB2 SER 35 - H GLN 105 lone 7 100 - 6 - 1294/4.7=1 HA THR 116 - H GLN 105 lone 6 68 - 8 - 3.0/1296=2, 3.6/1508=1 HA LYS 119 - H GLN 105 lone 6 76 - 7 - 3.6/1508=5 HA THR 19 - H GLN 105 lone 4 95 - 4 - HB2 SER 13 - H GLN 105 lone 3 92 - 3 - Peak 523 from nnoeabs.peaks (8.09, 8.63, 115.99 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.83: * H GLN 105 + H ASN 106 OK 80 100 - 80 - 4.6=54, 2.9/5850=24...(8) HD22 ASN 79 + H ASN 106 OK 12 85 - 14 - 8143/3.6=4, 4770/4.1=3...(5) H GLY 39 - H ASN 106 lone 7 99 - 7 - 4762/3.6=1, 4770/4.1=1 H SER 78 - H ASN 106 lone 6 92 - 6 - 1655/3.6=2, 4770/4.1=1 H THR 33 - H ASN 106 lone 6 95 - 6 - 4762/3.6=2, 4770/4.1=1 H LEU 24 - H ASN 106 lone 5 100 - 5 - 4770/4.1=1 Peak 524 from nnoeabs.peaks (4.38, 8.63, 115.99 ppm; 3.13 A): 2 out of 7 assignments used, quality = 0.87: * HA GLN 105 + H ASN 106 OK 82 100 - 82 - 3.6=68, 2.9/1508=15...(9) HA ASP 100 + H ASN 106 OK 25 63 - 40 - 7690=9, 3.0/1305=5...(12) HA LEU 93 - H ASN 106 lone 8 100 - 8 - 4771/4.1=1, 7599/4.8=1...(4) HA CYS 76 - H ASN 106 lone 8 78 - 10 - 7809/4.6=1, 8338/5.7=1...(5) HA MET 11 - H ASN 106 lone 8 95 - 8 - 5850=2 HB THR 116 - H ASN 106 lone 7 99 - 7 - HA SER 35 - H ASN 106 lone 2 100 - 2 - Peak 525 from nnoeabs.peaks (2.08, 8.63, 115.99 ppm; 3.91 A): 1 out of 15 assignments used, quality = 0.97: * HB2 GLN 105 + H ASN 106 OK 97 100 - 97 - 4.1=89, 3.0/5850=25...(10) HB2 ARG 57 - H ASN 106 OK 14 100 - 14 - 1.8/526=3, 3.5/7786=2...(5) HB2 GLN 16 - H ASN 106 OK 11 100 - 11 - 4764/3.6=2, 1946/4.8=2...(6) HB3 GLN 16 - H ASN 106 OK 11 100 - 11 - 4764/3.6=2, 1954/4.8=2...(6) HG3 GLU 69 - H ASN 106 OK 10 93 - 11 - 3.0/5852=3, 4764/3.6=2...(4) HB ILE 63 - H ASN 106 lone 6 95 - 6 - 3.0/526=1 HB3 GLU 38 - H ASN 106 lone 5 89 - 6 - 4.4/523=1 HB2 LEU 114 - H ASN 106 lone 4 100 - 4 - HB3 PRO 70 - H ASN 106 lone 4 65 - 6 - 8319/3.6=2, 1297/4.6=1 HG LEU 21 - H ASN 106 lone 4 99 - 4 - HB3 ARG 81 - H ASN 106 lone 4 71 - 5 - 3.5/7786=1 HB2 GLU 15 - H ASN 106 lone 3 97 - 3 - HG2 GLU 64 - H ASN 106 lone 2 100 - 2 - HG3 PRO 37 - H ASN 106 lone 2 65 - 3 - HB2 LEU 101 - H ASN 106 lone 1 76 - 2 - Peak 526 from nnoeabs.peaks (1.82, 8.63, 115.99 ppm; 4.00 A): 1 out of 13 assignments used, quality = 0.98: * HB3 GLN 105 + H ASN 106 OK 98 100 - 98 - 4.1=95, 3.0/5850=26...(9) HB2 GLU 69 - H ASN 106 OK 18 92 - 20 - 5852=5, 4765/3.6=4...(7) HB3 ARG 57 - H ASN 106 OK 16 99 - 16 - 1.8/525=3, 4765/3.6=3...(6) HG3 ARG 53 - H ASN 106 OK 11 98 - 11 - 5618/4.6=6, 3.0/7786=1 HG13 ILE 63 - H ASN 106 lone 7 100 - 7 - 4765/3.6=1, 4773/4.1=1 HB2 PRO 60 - H ASN 106 lone 6 92 - 6 - ~8307=1, ~8308=1 HG2 GLU 75 - H ASN 106 lone 4 100 - 4 - HG LEU 41 - H ASN 106 lone 4 93 - 4 - HB3 ARG 92 - H ASN 106 lone 3 96 - 3 - HG12 ILE 22 - H ASN 106 lone 2 60 - 4 - 2.1/6424=1 HG2 GLU 73 - H ASN 106 lone 2 83 - 2 - HB3 GLU 56 - H ASN 106 lone 2 68 - 3 - HG3 GLU 73 - H ASN 106 lone 2 81 - 2 - Peak 527 from nnoeabs.peaks (2.28, 8.63, 115.99 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.98: * HG2 GLN 105 + H ASN 106 OK 85 100 - 85 - 4.8=61, 4.1/5850=20...(8) HG3 GLN 105 + H ASN 106 OK 85 100 - 85 - 4.8=61, 4.1/5850=20...(8) HB VAL 120 - H ASN 106 OK 14 92 - 16 - 4766/3.6=2, 2.1/5290=2...(9) HG2 GLN 16 - H ASN 106 poor 9 78 - 12 - 3.0/525=2, 3.0/525=2...(6) HG3 GLU 94 - H ASN 106 lone 2 93 - 3 - HB2 CYS 87 - H ASN 106 lone 2 93 - 2 - Peak 528 from nnoeabs.peaks (2.28, 8.63, 115.99 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.98: * HG3 GLN 105 + H ASN 106 OK 85 100 - 85 - 4.8=61, 4.1/5850=20...(8) HG2 GLN 105 + H ASN 106 OK 85 100 - 85 - 4.8=61, 4.1/5850=20...(8) HB VAL 120 - H ASN 106 OK 14 90 - 15 - 4766/3.6=2, 2.1/5290=2...(9) HG2 GLN 16 - H ASN 106 poor 9 76 - 12 - 3.0/525=2, 3.0/525=2...(6) HG3 GLU 94 - H ASN 106 lone 3 95 - 3 - HB2 CYS 87 - H ASN 106 lone 2 95 - 2 - Peak 531 from nnoeabs.peaks (8.63, 8.95, 121.79 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.79: * H ASN 106 + H PHE 107 OK 79 100 - 79 - 4.6=70, 3.9/533=15...(4) H VAL 120 - H PHE 107 lone 8 89 - 9 - 1795/3.0=3, 4808/4.5=2...(4) H LEU 117 - H PHE 107 lone 7 65 - 10 - 3.0/1310=3, 4.2/7809=2 H SER 29 - H PHE 107 lone 2 73 - 2 - Peak 532 from nnoeabs.peaks (4.65, 8.95, 121.79 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 106 + H PHE 107 OK 100 100 - 100 - 3.6=100 HA HIS 10 - H PHE 107 lone 3 83 - 3 - HA LEU 59 - H PHE 107 lone 3 73 - 3 - HA ASP 123 - H PHE 107 lone 2 89 - 3 - Peak 533 from nnoeabs.peaks (2.90, 8.95, 121.79 ppm; 4.48 A): 1 out of 7 assignments used, quality = 0.97: * HB2 ASN 106 + H PHE 107 OK 97 100 - 97 - 4.5=96, 3.9/1509=27...(6) HB2 ASP 100 - H PHE 107 OK 30 99 - 31 - 4804/3.6=9, 1305/4.6=7...(8) HB2 PHE 40 - H PHE 107 lone 9 99 - 9 - 4804/3.6=2, 1305/4.6=2 HB3 ASN 12 - H PHE 107 lone 6 87 - 6 - 4804/3.6=2, 1305/4.6=1 HE2 LYS 32 - H PHE 107 lone 2 83 - 3 - HE3 LYS 32 - H PHE 107 lone 2 81 - 3 - HB3 PHE 96 - H PHE 107 lone 2 63 - 3 - 7838/1742=1 Peak 534 from nnoeabs.peaks (2.72, 8.95, 121.79 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 106 + H PHE 107 OK 100 100 - 100 - 4.5=100 HB3 ASN 108 + H PHE 107 OK 67 100 - 67 - 4.0/537=27, 4.6/1742=19...(10) HB3 ASN 99 - H PHE 107 OK 38 100 - 38 - 1.8/4834=7, 4805/3.6=6...(11) HE3 LYS 65 - H PHE 107 lone 6 81 - 8 - 8721/4.5=2 Peak 537 from nnoeabs.peaks (8.95, 8.84, 116.35 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.85: * H PHE 107 + H ASN 108 OK 82 100 - 82 - 4.6=54, 3.6/7830=21...(9) H LEU 54 + H ASN 108 OK 20 96 - 21 - 4820/3.6=5, 4827/4.6=4...(5) Peak 538 from nnoeabs.peaks (4.01, 8.84, 116.35 ppm; 4.37 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 107 + H ASN 108 OK 100 100 - 100 - 3.6=100 HA ALA 14 - H ASN 108 OK 39 92 - 43 - 1898=11, 2.1/1901=7...(12) HA ARG 81 - H ASN 108 OK 21 93 - 23 - 4615/4.5=5, 4828/4.6=5...(7) HA LEU 117 - H ASN 108 OK 12 85 - 14 - 4615/4.5=3, 1741/4.6=2...(6) HA THR 62 - H ASN 108 lone 7 96 - 7 - 4615/4.5=1, 1741/4.6=1 HA GLN 16 - H ASN 108 lone 3 68 - 5 - Peak 539 from nnoeabs.peaks (3.11, 8.84, 116.35 ppm; 4.42 A): 1 out of 8 assignments used, quality = 0.95: * HB2 PHE 107 + H ASN 108 OK 95 100 - 96 - 4.6=91, 4.0/537=24...(7) HB3 ASP 100 - H ASN 108 OK 42 100 - 42 - 8149/4.0=23, 4.3/1321=5...(9) HD3 ARG 81 - H ASN 108 OK 20 85 - 24 - 8564/4.5=6, 4822/3.6=5...(6) HB3 CYS 52 - H ASN 108 OK 17 100 - 17 - 6955/4.6=4, 4822/3.6=3...(6) HB3 CYS 76 - H ASN 108 OK 16 100 - 16 - 4822/3.6=3, 1.8/1318=3...(6) HD3 ARG 53 - H ASN 108 OK 13 90 - 14 - 1311/4.6=4, 4822/3.6=3...(5) HD3 ARG 57 - H ASN 108 OK 11 95 - 12 - 4616/4.5=2, 4822/3.6=2...(4) HB3 HIS 10 - H ASN 108 lone 2 68 - 2 - Peak 540 from nnoeabs.peaks (2.84, 8.84, 116.35 ppm; 4.16 A): 3 out of 10 assignments used, quality = 0.93: * HB3 PHE 107 + H ASN 108 OK 86 100 - 86 - 4.6=76, 4.0/537=21...(6) HB2 ASN 99 + H ASN 108 OK 34 100 - 34 - 1.8/1319=6, 5860=6...(11) HB3 TYR 67 + H ASN 108 OK 28 100 - 28 - 2.6/543=7, 4.5/1740=6...(7) HB2 TYR 67 - H ASN 108 OK 28 100 - 28 - 2.6/543=7, 4.5/1740=6...(7) HG CYS 52 - H ASN 108 lone 9 99 - 9 - 3.4/539=2, 4830/4.6=2...(5) HB2 CYS 76 - H ASN 108 poor 8 71 - 11 - 1.8/539=3, 3985/4.6=2...(5) HB2 ASN 79 - H ASN 108 lone 6 100 - 6 - 4617/4.5=1 HB2 ASP 36 - H ASN 108 lone 2 100 - 2 - HE3 LYS 119 - H ASN 108 lone 2 87 - 2 - HE2 LYS 119 - H ASN 108 lone 2 85 - 2 - Peak 543 from nnoeabs.peaks (7.19, 8.84, 116.35 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 107 + H ASN 108 OK 100 100 - 100 - 4.5=100 QD TYR 67 + H ASN 108 OK 50 97 - 52 - 2.2/1740=11, 4826/3.6=9...(12) HE ARG 81 - H ASN 108 OK 29 99 - 29 - 4826/3.6=7, 4833/4.6=7...(6) H LYS 65 - H ASN 108 lone 7 71 - 10 - 4826/3.6=1 Peak 544 from nnoeabs.peaks (8.84, 7.48, 119.90 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.81: * H ASN 108 + H LYS 109 OK 76 100 - 76 - 4.6=51, 4.0/546=18...(8) H ALA 14 + H LYS 109 OK 19 100 - 19 - 3.0/1741=4, 4862/3.6=3...(8) H VAL 50 - H LYS 109 lone 8 99 - 8 - 4862/3.6=1, 1745/4.7=1...(4) Peak 545 from nnoeabs.peaks (4.14, 7.48, 119.90 ppm; 4.15 A): 1 out of 14 assignments used, quality = 1.00: * HA ASN 108 + H LYS 109 OK 100 100 - 100 - 3.6=100 HA ALA 98 - H LYS 109 OK 23 99 - 24 - 5864=7, 4869/4.6=5...(6) HA PRO 37 - H LYS 109 OK 18 100 - 18 - 2670/3.0=3, 3.6/1323=3...(7) HA ILE 124 - H LYS 109 OK 11 100 - 10 - 8122/4.6=2, 4.0/1327=2 HB3 SER 78 - H LYS 109 poor 10 90 - 11 - 7362/4.7=5, 7362/1512=1 HA ARG 57 - H LYS 109 poor 9 60 - 15 - 3.6/1743=5, ~6210=3...(4) HB2 SER 113 - H LYS 109 lone 7 97 - 7 - 1744/4.7=3 HA ILE 63 - H LYS 109 lone 6 100 - 6 - HA SER 78 - H LYS 109 lone 5 71 - 7 - 7367/4.7=3 HA GLU 28 - H LYS 109 lone 4 92 - 4 - HA PHE 83 - H LYS 109 lone 4 100 - 4 - HA GLU 56 - H LYS 109 lone 2 68 - 3 - ~251=1 HB3 SER 72 - H LYS 109 lone 2 100 - 2 - HA3 GLY 25 - H LYS 109 lone 1 60 - 1 - Peak 546 from nnoeabs.peaks (2.79, 7.48, 119.90 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.77: * HB2 ASN 108 + H LYS 109 OK 77 100 - 77 - 4.6=61, 4.0/1511=20...(5) HB2 ASP 97 - H LYS 109 lone 8 100 - 8 - 4864/3.6=2, 1318/4.6=2 HB2 CYS 76 - H LYS 109 lone 2 71 - 3 - 1318/4.6=1 Peak 547 from nnoeabs.peaks (2.73, 7.48, 119.90 ppm; 3.84 A): 3 out of 5 assignments used, quality = 0.93: * HB3 ASN 108 + H LYS 109 OK 81 100 - 81 - 4.6=57, 1.8/546=32...(10) HB3 ASN 106 + H LYS 109 OK 58 100 - 58 - 1.8/7808=18, 5866=15...(10) HB3 ASN 99 + H LYS 109 OK 17 100 - 17 - 4865/3.6=3, 1319/4.6=3...(6) HE3 LYS 65 - H LYS 109 poor 7 71 - 10 - 5.0/1327=2, 5.0/1327=2...(4) HB2 ASP 123 - H LYS 109 lone 3 60 - 4 - 7843/4.7=1, 7841/4.0=1 Peak 549 from nnoeabs.peaks (6.97, 7.48, 119.90 ppm; 4.99 A): 4 out of 4 assignments used, quality = 0.94: * HD22 ASN 108 + H LYS 109 OK 67 100 - 67 - 3.5/546=34, 5.7/1511=20...(8) QE PHE 107 + H LYS 109 OK 54 93 - 58 - 4799/8451=16...(12) H LEU 101 + H LYS 109 OK 53 100 - 53 - 7698/8451=16, 4.7/7724=9...(12) HD22 ASN 12 + H LYS 109 OK 14 90 - 15 - 7859/8451=2, 7833/4.7=2...(5) Peak 550 from nnoeabs.peaks (7.48, 6.79, 121.06 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.78: * H LYS 109 + H VAL 110 OK 68 100 - 68 - 4.7=36, 8451/4.0=15...(12) H GLY 104 + H VAL 110 OK 21 100 - 21 - 4880/3.6=4, 7863/4.0=3...(6) H ALA 43 + H VAL 110 OK 14 85 - 16 - 4880/3.6=3, 4890/4.6=3...(5) Peak 551 from nnoeabs.peaks (4.05, 6.79, 121.06 ppm; 4.07 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 109 + H VAL 110 OK 100 100 - 100 - 3.6=100 HA SER 112 - H VAL 110 OK 38 99 - 38 - 3.0/1754=14, ~1753=7...(8) HA TYR 102 - H VAL 110 OK 31 99 - 31 - 3.0/1333=5, 4891/4.6=5...(9) HA LEU 55 - H VAL 110 OK 17 100 - 17 - 1748/4.7=2, 4901/4.6=2...(6) HD3 PRO 37 - H VAL 110 OK 13 98 - 13 - 4891/4.6=2, 4901/4.6=2...(5) HA SER 44 - H VAL 110 lone 7 92 - 7 - 1323/4.7=1, 4891/4.6=1 HA GLN 16 - H VAL 110 lone 5 83 - 6 - Peak 552 from nnoeabs.peaks (1.94, 6.79, 121.06 ppm; 4.01 A): 5 out of 17 assignments used, quality = 0.94: * HB2 LYS 109 + H VAL 110 OK 86 100 - 86 - 4.6=65, 8450/4.0=19...(10) HG LEU 58 + H VAL 110 OK 36 100 - 36 - 2.1/7050=12, 4882/3.6=5...(8) HB2 ARG 85 + H VAL 110 OK 11 97 - 11 - 4882/3.6=3, 4902/4.6=2...(4) HB3 ARG 85 + H VAL 110 OK 11 97 - 11 - 4882/3.6=3, 4902/4.6=2...(4) HB3 LYS 119 + H VAL 110 OK 11 99 - 11 - 4882/3.6=3, 4902/4.6=2...(4) HB ILE 80 - H VAL 110 lone 9 92 - 10 - ~7415=3, 7425/4.0=1 HB3 PRO 30 - H VAL 110 lone 9 97 - 9 - 2.3/6592=2, 4882/3.6=2 HB2 LEU 21 - H VAL 110 lone 7 97 - 7 - 3.1/6397=1 HB3 GLU 64 - H VAL 110 lone 6 100 - 6 - 4.6/7850=3 HB2 GLU 64 - H VAL 110 lone 6 100 - 6 - 4.6/7850=3 HB2 GLU 38 - H VAL 110 lone 6 100 - 6 - HB2 ARG 81 - H VAL 110 lone 5 60 - 8 - 3.0/1746=4 HB3 GLU 94 - H VAL 110 lone 2 90 - 3 - HB3 GLU 69 - H VAL 110 lone 2 99 - 2 - HB3 GLU 73 - H VAL 110 lone 2 68 - 3 - HB ILE 22 - H VAL 110 lone 2 63 - 3 - HB3 MET 11 - H VAL 110 lone 1 81 - 1 - Peak 553 from nnoeabs.peaks (1.86, 6.79, 121.06 ppm; 3.93 A): 4 out of 13 assignments used, quality = 0.93: * HB3 LYS 109 + H VAL 110 OK 84 100 - 84 - 4.6=61, 1.8/5868=18...(10) HB2 LEU 58 + H VAL 110 OK 38 99 - 38 - 3.1/7050=10, 4883/3.6=7...(9) HB3 LYS 31 + H VAL 110 OK 20 85 - 24 - 2.9/554=2, 2.9/1334=2...(12) HG LEU 84 + H VAL 110 OK 15 78 - 19 - 2.1/1335=7, 4258/4.0=5, ~4973=5 HB2 LYS 119 - H VAL 110 poor 10 85 - 12 - 4883/3.6=3, 4893/4.6=2 HG LEU 55 - H VAL 110 lone 6 87 - 7 - 4.3/551=2, 4883/3.6=1 HG3 PRO 68 - H VAL 110 lone 5 100 - 5 - 4883/3.6=1 HB VAL 50 - H VAL 110 lone 4 85 - 5 - 4.0/1745=2 HB3 GLU 28 - H VAL 110 lone 4 100 - 3 - HB2 ARG 92 - H VAL 110 lone 3 97 - 3 - HG12 ILE 22 - H VAL 110 lone 3 89 - 3 - HG3 GLU 73 - H VAL 110 lone 1 71 - 2 - HG2 GLU 73 - H VAL 110 lone 1 68 - 2 - Peak 554 from nnoeabs.peaks (1.48, 6.79, 121.06 ppm; 4.73 A): 4 out of 14 assignments used, quality = 0.92: * HG2 LYS 109 + H VAL 110 OK 69 100 - 69 - 4.7/550=20, 2.9/5868=20...(8) HB3 LEU 58 + H VAL 110 OK 53 99 - 54 - 3.1/7050=13, 1.8/553=9...(11) HG3 LYS 31 + H VAL 110 OK 29 89 - 33 - 2.9/553=4, 1.8/1334=3...(15) QB ALA 14 + H VAL 110 OK 25 92 - 27 - 2.9/1745=7, 2.1/1746=6...(7) HD2 LYS 46 - H VAL 110 OK 21 78 - 27 - 8574/3.6=6, 1.8/555=5...(7) HB3 LEU 114 - H VAL 110 OK 21 83 - 25 - 3.0/7954=9, 3.1/7950=6...(4) HG2 ARG 85 - H VAL 110 OK 19 87 - 22 - 4904/4.6=4, 4894/4.6=4...(6) HB2 LEU 93 - H VAL 110 OK 13 92 - 14 - 1.8/1334=3, ~4972=2, 4480/4.0=1 HG2 LYS 119 - H VAL 110 OK 13 83 - 16 - 4894/4.6=2, 4884/3.6=2...(6) HG LEU 93 - H VAL 110 OK 13 96 - 13 - 3.0/1334=2, ~4972=1, 4494/4.0=1 HB2 LEU 24 - H VAL 110 poor 8 68 - 12 - 1.8/7884=4, 3.1/6477=1 HG LEU 91 - H VAL 110 lone 8 98 - 8 - HG3 ARG 57 - H VAL 110 lone 6 95 - 7 - 3.6/1744=1 HG3 ARG 92 - H VAL 110 lone 3 63 - 4 - Peak 555 from nnoeabs.peaks (1.55, 6.79, 121.06 ppm; 5.00 A): 5 out of 5 assignments used, quality = 0.93: * HG3 LYS 109 + H VAL 110 OK 73 100 - 73 - 4.7/550=22, 2.9/5868=22...(10) HB3 LYS 65 + H VAL 110 OK 34 100 - 34 - 4885/3.6=5, 4.0/7850=5...(10) HB2 LYS 65 + H VAL 110 OK 34 100 - 34 - 4885/3.6=5, 4.0/7850=5...(10) HD3 LYS 46 + H VAL 110 OK 27 81 - 34 - 4885/3.6=8, 4905/4.6=7...(7) HG12 ILE 124 + H VAL 110 OK 19 100 - 19 - 1.8/7884=4, 8088/8073=3...(7) Peak 557 from nnoeabs.peaks (1.77, 6.79, 121.06 ppm; 5.24 A): 4 out of 16 assignments used, quality = 0.97: * HD3 LYS 109 + H VAL 110 OK 67 100 - 67 - 3.9/5868=20, 3.9/5869=20...(9) HD2 LYS 109 + H VAL 110 OK 67 100 - 67 - 3.9/5868=20, 3.9/5869=20...(9) HB2 LEU 117 + H VAL 110 OK 51 99 - 51 - 7994=12, 3.1/8000=9...(12) HG LEU 117 + H VAL 110 OK 47 100 - 47 - 2.1/8000=10, 7996=9...(12) HB3 LYS 46 - H VAL 110 OK 29 93 - 32 - 8271/3.6=5, 3.5/555=5...(7) HG2 GLN 42 - H VAL 110 OK 28 99 - 28 - 5.2/1747=5, 5570/4.7=4...(12) HG3 PRO 30 - H VAL 110 OK 18 100 - 18 - 6592=3, 4897/4.6=2...(6) HB2 GLU 75 - H VAL 110 OK 17 97 - 17 - 3.0/8330=4, 3.0/8337=2...(4) HB2 PRO 37 - H VAL 110 OK 15 81 - 19 - 2.3/1744=3, 3.0/551=3...(7) HB2 LEU 45 - H VAL 110 lone 9 96 - 9 - 4886/3.6=1 HG3 ARG 71 - H VAL 110 lone 8 98 - 8 - HB2 LYS 32 - H VAL 110 lone 7 81 - 9 - 3.0/7884=2 HG2 ARG 71 - H VAL 110 lone 6 78 - 7 - HB VAL 66 - H VAL 110 lone 5 87 - 6 - HB2 ARG 53 - H VAL 110 lone 3 73 - 5 - HB3 GLU 56 - H VAL 110 lone 3 65 - 5 - Peak 560 from nnoeabs.peaks (6.79, 7.70, 118.61 ppm; 3.56 A): 4 out of 5 assignments used, quality = 0.90: * H VAL 110 + H LEU 111 OK 80 100 - 80 - 4.7=45, 1336/4.3=21...(12) QE TYR 67 + H LEU 111 OK 29 100 - 29 - 4970/3.5=5, 4985/4.3=4...(11) HH2 TRP 20 + H LEU 111 OK 21 100 - 21 - 4970/3.5=3, 4980/4.3=3...(9) HE21 GLN 42 + H LEU 111 OK 11 71 - 16 - 1754/4.6=3, 7897/2.9=2...(7) HD22 ASN 99 - H LEU 111 lone 5 65 - 7 - Peak 561 from nnoeabs.peaks (2.98, 7.70, 118.61 ppm; 4.80 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 110 + H LEU 111 OK 100 100 - 100 - 3.5=100 HB3 TYR 102 - H LEU 111 OK 35 92 - 39 - 2.5/4735=12, 4.4/4828=5...(8) HB2 ASN 12 - H LEU 111 OK 20 100 - 20 - 4986/4.3=5, 4981/4.3=4...(5) HE2 LYS 31 - H LEU 111 OK 17 96 - 18 - 4976/4.4=3, 4986/4.3=3...(6) HE3 LYS 31 - H LEU 111 OK 17 96 - 18 - 4976/4.4=3, 4986/4.3=3...(6) Peak 562 from nnoeabs.peaks (1.39, 7.70, 118.61 ppm; 3.34 A): 2 out of 10 assignments used, quality = 0.97: HB2 LEU 111 + H LEU 111 OK 87 100 - 87 - 3.8=66, 1.8/1340=20...(16) * HB VAL 110 + H LEU 111 OK 77 100 - 77 - 4.4=42, 2.1/564=23...(11) QG2 THR 121 - H LEU 111 OK 38 89 - 43 - 5308=13, 3.2/5300=4...(15) HB3 LEU 93 - H LEU 111 OK 25 97 - 26 - 4992/2.9=4, 5006/3.8=3...(11) HB2 LEU 27 - H LEU 111 OK 13 100 - 13 - 4992/2.9=1, 4982/4.3=1...(4) HB2 LEU 51 - H LEU 111 OK 10 68 - 15 - 3.1/563=3, ~6935=3...(7) QB ALA 122 - H LEU 111 poor 9 85 - 11 - 2.9/624=6 HG2 LYS 31 - H LEU 111 poor 8 76 - 10 - 2434/3.5=1, 3.8/561=1, 3.8/561=1 HG LEU 59 - H LEU 111 lone 8 99 - 8 - QB ALA 98 - H LEU 111 poor 8 60 - 13 - 2.1/6198=5, 7668/4.3=2...(4) Peak 563 from nnoeabs.peaks (0.14, 7.70, 118.61 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 110 + H LEU 111 OK 99 100 - 99 - 4.3=98, 2.1/564=37...(12) QD2 LEU 84 + H LEU 111 OK 47 100 - 47 - 7916/2.9=9, 4973/3.5=8...(12) QD2 LEU 51 - H LEU 111 OK 29 83 - 35 - ~6935=6, 4973/3.5=6...(9) Peak 564 from nnoeabs.peaks (0.01, 7.70, 118.61 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.98: * QG2 VAL 110 + H LEU 111 OK 98 100 - 98 - 4.3=93, 1336/4.7=25...(10) Peak 565 from nnoeabs.peaks (7.70, 8.03, 112.26 ppm; 3.42 A): 3 out of 6 assignments used, quality = 0.79: * H LEU 111 + H SER 112 OK 70 100 - 70 - 4.6=40, 3.8/568=11...(11) H THR 121 + H SER 112 OK 21 97 - 22 - 4990/3.6=4, 4997/4.6=4...(7) H LEU 58 + H SER 112 OK 11 76 - 15 - 4.6/1515=2, 4990/3.6=2...(7) H SER 90 - H SER 112 lone 6 76 - 9 - 4.5/1764=1, 4990/3.6=1 HE21 GLN 103 - H SER 112 lone 6 97 - 6 - 4990/3.6=1 H LEU 126 - H SER 112 lone 2 71 - 2 - Peak 566 from nnoeabs.peaks (3.61, 8.03, 112.26 ppm; 4.07 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 111 + H SER 112 OK 100 100 - 100 - 3.6=100 HA VAL 115 + H SER 112 OK 74 97 - 76 - 3.0/7925=14, 5898=12...(23) HA2 GLY 39 - H SER 112 OK 18 100 - 17 - 6011=5, 3.6/1582=3...(5) HD2 PRO 70 - H SER 112 OK 14 100 - 14 - 4998/4.6=2, 1338/4.6=2 HA GLU 75 - H SER 112 OK 12 78 - 16 - 3.6/1515=4, 5719/4.6=3 HA ILE 80 - H SER 112 OK 12 60 - 20 - 3.0/7925=7, ~6226=4...(5) HA LYS 46 - H SER 112 poor 6 57 - 11 - HA2 GLY 48 - H SER 112 lone 2 71 - 3 - Peak 567 from nnoeabs.peaks (1.39, 8.03, 112.26 ppm; 3.44 A): 4 out of 8 assignments used, quality = 0.87: * HB2 LEU 111 + H SER 112 OK 72 100 - 72 - 4.6=41, 1.8/568=19...(11) HB VAL 110 + H SER 112 OK 34 100 - 34 - 4.4/565=10, 3.0/1753=9...(5) QG2 THR 121 + H SER 112 OK 19 95 - 20 - 5308/4.6=5, 4.0/565=4...(6) HB3 LEU 93 + H SER 112 OK 15 99 - 16 - 4992/3.6=3, 4489/4.9=2...(5) HB2 LEU 27 - H SER 112 lone 9 99 - 9 - 4992/3.6=1, 3.1/7917=1 HG2 LYS 31 - H SER 112 lone 7 85 - 8 - 3.8/1753=1, 3.8/1753=1 HG LEU 59 - H SER 112 lone 4 96 - 4 - QB ALA 122 - H SER 112 lone 2 76 - 3 - Peak 568 from nnoeabs.peaks (1.21, 8.03, 112.26 ppm; 3.37 A): 3 out of 7 assignments used, quality = 0.79: * HB3 LEU 111 + H SER 112 OK 68 100 - 69 - 4.6=39, 1.8/567=15...(10) QG2 VAL 18 + H SER 112 OK 25 99 - 25 - 5459=4, 2.1/5458=3...(8) HG LEU 77 + H SER 112 OK 11 83 - 13 - 4993/3.6=3, 5000/4.6=2...(5) HB2 LEU 77 - H SER 112 poor 10 76 - 13 - 4993/3.6=3, 5000/4.6=2...(4) HB3 LEU 24 - H SER 112 lone 8 100 - 8 - 4993/3.6=2, 1340/4.6=1 HG2 LYS 32 - H SER 112 lone 6 100 - 6 - HG13 ILE 124 - H SER 112 lone 5 68 - 8 - 7323/4.6=1, 4993/3.6=1 Peak 569 from nnoeabs.peaks (0.75, 8.03, 112.26 ppm; 4.21 A): 2 out of 8 assignments used, quality = 0.96: * HG LEU 111 + H SER 112 OK 89 100 - 89 - 4.9=64, 3.0/568=19...(12) QD2 LEU 111 + H SER 112 OK 62 87 - 72 - 3.1/568=19, 2.1/570=17...(13) QD2 LEU 93 - H SER 112 OK 24 100 - 24 - 4994/3.6=4, 3.1/567=3...(7) QD1 LEU 91 - H SER 112 OK 21 99 - 22 - 2.1/570=5, 4994/3.6=4...(6) QD1 LEU 114 - H SER 112 OK 19 65 - 30 - 4.4/1764=11, 4.0/6235=7...(7) QG2 ILE 63 - H SER 112 OK 17 97 - 17 - 3.2/1756=2, 7124/4.6=2...(7) QD1 LEU 84 - H SER 112 OK 12 100 - 12 - 4994/3.6=2, 1341/4.6=2...(4) QG2 VAL 66 - H SER 112 lone 8 78 - 10 - 7197/4.6=2 Peak 570 from nnoeabs.peaks (0.80, 8.03, 112.26 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.92: * QD1 LEU 111 + H SER 112 OK 81 100 - 81 - 5884=22, 3.1/568=20...(14) QD1 ILE 22 + H SER 112 OK 33 100 - 33 - 6443/4.6=8, 5002/4.6=5...(9) QD2 LEU 91 + H SER 112 OK 26 85 - 31 - 4995/3.6=7, 5002/4.6=5...(7) HB2 ASN 118 + H SER 112 OK 18 71 - 26 - 4.0/1784=6, 6245/3.6=5...(8) QG2 VAL 66 - H SER 112 poor 8 73 - 11 - 7197/4.6=2, 4995/3.6=1 Peak 571 from nnoeabs.peaks (0.73, 8.03, 112.26 ppm; 4.28 A): 2 out of 8 assignments used, quality = 0.94: HG LEU 111 + H SER 112 OK 78 87 - 90 - 4.9=68, 3.0/568=20...(13) * QD2 LEU 111 + H SER 112 OK 75 100 - 75 - 3.1/568=19, 2.1/570=17...(15) QD1 LEU 114 - H SER 112 OK 34 98 - 35 - 4.4/1764=11, 4.0/6235=7...(9) QD1 LEU 91 - H SER 112 OK 22 97 - 22 - 2.1/570=6, 4996/3.6=4...(6) QD2 LEU 93 - H SER 112 OK 18 78 - 23 - 3.1/567=4, 4994/3.6=3...(7) QD1 LEU 84 - H SER 112 OK 11 92 - 12 - 4996/3.6=2, 1343/4.6=2...(4) QG2 ILE 63 - H SER 112 poor 9 63 - 15 - 3.2/1756=3, 3.2/7917=2...(6) QD2 LEU 54 - H SER 112 lone 4 68 - 6 - Peak 572 from nnoeabs.peaks (8.03, 7.58, 117.75 ppm; 3.16 A): 3 out of 8 assignments used, quality = 0.78: * H SER 112 + H SER 113 OK 59 100 - 59 - 4.6=32, 3.0/1761=11...(12) H THR 116 + H SER 113 OK 36 92 - 39 - 1775/3.0=8, 6229/3.6=5...(14) H SER 112 + H CYS 76 OK 15 92 - 17 - 1515=6, 3.0/5886=2...(4) H THR 19 - H SER 113 lone 8 92 - 9 - 6229/3.6=2 H THR 116 - H CYS 76 lone 7 80 - 8 - 4.6/1769=2, 1366/2.9=1 H GLN 42 - H SER 113 lone 6 85 - 7 - 5032/3.6=1 H GLN 42 - H CYS 76 lone 4 73 - 6 - 1591/3.6=1 H THR 19 - H CYS 76 lone 3 80 - 3 - 4.6/836=1 Peak 573 from nnoeabs.peaks (4.06, 7.58, 117.75 ppm; 3.53 A): 1 out of 18 assignments used, quality = 0.98: * HA SER 112 + H SER 113 OK 98 100 - 98 - 3.6=96, 3.0/1515=15...(8) HA LYS 109 - H SER 113 OK 21 99 - 21 - 6210=6, 6205/4.6=5...(4) HA LEU 55 - H SER 113 OK 15 100 - 15 - 6077=2, 3.0/1632=2...(4) HA SER 112 - H CYS 76 OK 15 92 - 16 - 3.0/1515=4, 5886=3...(6) HD3 PRO 37 - H CYS 76 poor 9 80 - 12 - 5542/4.6=2, 3.6/1350=1...(7) HA SER 44 - H SER 113 lone 7 98 - 7 - 2.9/1516=1, 1345/4.6=1 HA VAL 120 - H SER 113 lone 7 73 - 10 - 3.6/1759=2, 3.0/609=2 HA TYR 102 - H SER 113 lone 6 96 - 6 - 3.0/1760=2 HA LYS 31 - H CYS 76 lone 5 62 - 9 - 3.6/356=2, 2.9/1479=2...(4) HD3 PRO 37 - H SER 113 lone 5 92 - 5 - HA GLN 16 - H SER 113 lone 5 68 - 7 - 6210=1, 3.6/1516=1 HA LYS 31 - H SER 113 lone 4 73 - 6 - HA LYS 109 - H CYS 76 lone 4 90 - 4 - 6210=1 HA TYR 102 - H CYS 76 lone 4 84 - 4 - 3.0/1760=2 HA SER 44 - H CYS 76 lone 3 88 - 4 - ~1604=1 HA LEU 55 - H CYS 76 lone 3 91 - 4 - HA GLN 16 - H CYS 76 lone 2 57 - 4 - HA VAL 120 - H CYS 76 lone 1 62 - 1 - Peak 574 from nnoeabs.peaks (3.89, 7.58, 117.75 ppm; 3.20 A): 3 out of 26 assignments used, quality = 0.83: * HB2 SER 112 + H SER 113 OK 53 100 - 53 - 4.5=35, 3.0/1761=11...(4) HB3 SER 112 + H SER 113 OK 53 100 - 53 - 4.5=35, 3.0/1761=11...(4) HB3 ASN 79 + H CYS 76 OK 23 88 - 26 - 6104/2.9=5, 1.8/1136=3...(12) HB2 SER 112 - H CYS 76 lone 9 92 - 10 - 3.9/1515=2, 5887=2...(4) HB3 SER 112 - H CYS 76 lone 9 91 - 10 - 3.9/1515=2, 5888=2...(4) HA ARG 53 - H SER 113 lone 7 100 - 7 - 3.0/231=2, 6070=1, 3.6/1624=1 HB3 ASN 79 - H SER 113 lone 7 98 - 7 - 4.5/1762=2 HA ARG 53 - H CYS 76 lone 6 90 - 7 - 3.0/231=2, 3.6/1624=1 HB THR 95 - H SER 113 lone 4 100 - 4 - HD2 PRO 68 - H SER 113 lone 4 83 - 5 - HD3 PRO 68 - H SER 113 lone 4 78 - 5 - HD2 PRO 68 - H CYS 76 lone 3 71 - 5 - HB THR 95 - H CYS 76 lone 3 91 - 3 - HD3 PRO 68 - H CYS 76 lone 3 66 - 5 - HA ALA 43 - H SER 113 lone 2 63 - 4 - HB2 SER 13 - H CYS 76 lone 2 66 - 3 - HB THR 62 - H SER 113 lone 2 78 - 2 - HB2 SER 13 - H SER 113 lone 1 78 - 2 - HA ALA 43 - H CYS 76 lone 1 52 - 3 - HA ILE 34 - H CYS 76 lone 1 85 - 1 - HA ILE 34 - H SER 113 lone 1 97 - 1 - HA2 GLY 2 - H CYS 76 lone 1 85 - 1 - HA3 GLY 2 - H CYS 76 lone 1 85 - 1 - HB THR 62 - H CYS 76 lone 1 66 - 1 - HA2 GLY 2 - H SER 113 lone 1 97 - 1 - HA3 GLY 2 - H SER 113 lone 1 97 - 1 - Peak 575 from nnoeabs.peaks (3.89, 7.58, 117.75 ppm; 3.20 A): 3 out of 30 assignments used, quality = 0.83: * HB3 SER 112 + H SER 113 OK 53 100 - 53 - 4.5=35, 3.0/1761=11...(4) HB2 SER 112 + H SER 113 OK 53 100 - 53 - 4.5=35, 3.0/1761=11...(4) HB3 ASN 79 + H CYS 76 OK 23 89 - 26 - 6104/2.9=5, 1.8/1136=3...(12) HB3 SER 112 - H CYS 76 lone 9 92 - 10 - 3.9/1515=2, 5888=2...(4) HB2 SER 112 - H CYS 76 lone 9 91 - 10 - 3.9/1515=2, 5887=2...(4) HA ARG 53 - H SER 113 lone 7 100 - 7 - 3.0/231=2, 6070=1, 3.6/1624=1 HB3 ASN 79 - H SER 113 lone 7 99 - 7 - 4.5/1762=2 HA ARG 53 - H CYS 76 lone 6 91 - 7 - 3.0/231=2, 3.6/1624=1 HB THR 95 - H SER 113 lone 4 100 - 4 - HD2 PRO 68 - H SER 113 lone 4 78 - 5 - HD3 PRO 68 - H SER 113 lone 3 73 - 5 - HD2 PRO 68 - H CYS 76 lone 3 66 - 5 - HB THR 95 - H CYS 76 lone 3 92 - 3 - HD3 PRO 68 - H CYS 76 lone 3 62 - 5 - HB2 SER 13 - H CYS 76 lone 2 71 - 3 - HA ALA 43 - H SER 113 lone 2 57 - 3 - HB THR 62 - H SER 113 lone 2 73 - 2 - HB2 SER 13 - H SER 113 lone 2 83 - 2 - HA THR 33 - H CYS 76 lone 1 47 - 3 - HA ILE 34 - H CYS 76 lone 1 83 - 1 - HA ALA 43 - H CYS 76 lone 1 47 - 3 - HA THR 33 - H SER 113 lone 1 57 - 2 - HA ILE 34 - H SER 113 lone 1 95 - 1 - HB THR 33 - H CYS 76 lone 1 50 - 2 - HB THR 33 - H SER 113 lone 1 60 - 1 - HA2 GLY 2 - H CYS 76 lone 1 83 - 1 - HA3 GLY 2 - H CYS 76 lone 1 83 - 1 - HB THR 62 - H CYS 76 lone 1 62 - 1 - HA2 GLY 2 - H SER 113 lone 1 95 - 1 - HA3 GLY 2 - H SER 113 lone 1 95 - 1 - Peak 576 from nnoeabs.peaks (7.58, 7.97, 121.40 ppm; 3.39 A): 6 out of 12 assignments used, quality = 0.86: * H SER 113 + H LEU 114 OK 68 100 - 68 - 4.6=40, 5048/4.7=9...(15) H CYS 76 + H LEU 114 OK 25 92 - 27 - 1516=7, 1349/3.6=3...(10) H SER 113 + H ALA 89 OK 15 90 - 17 - 1516=4, 3.6/6225=2...(6) H ARG 57 + H LEU 114 OK 13 92 - 14 - 7957/4.4=2, 1769/4.6=1...(5) H LYS 119 + H LEU 114 OK 12 87 - 14 - 1769/4.6=2, 7957/4.4=1...(4) H CYS 52 + H LEU 114 OK 10 99 - 10 - 7957/4.4=1 HE3 TRP 20 - H LEU 114 poor 7 60 - 12 - ~7953=4, 7957/4.4=3, 6980/4.4=1 H LYS 119 - H ALA 89 lone 5 73 - 7 - 603/4.5=1 H ARG 57 - H ALA 89 lone 4 78 - 6 - 1466/4.5=1 H CYS 76 - H ALA 89 lone 4 78 - 5 - 1516=1 H CYS 52 - H ALA 89 lone 4 88 - 4 - HE3 TRP 20 - H ALA 89 lone 1 48 - 2 - Peak 577 from nnoeabs.peaks (4.44, 7.97, 121.40 ppm; 4.20 A): 1 out of 12 assignments used, quality = 1.00: * HA SER 113 + H LEU 114 OK 100 100 - 100 - 3.6=100 HA SER 90 - H ALA 89 OK 40 60 - 66 - 3.0/436=17, 7571/2.9=10...(16) HA SER 113 - H ALA 89 OK 17 90 - 19 - 3.0/576=3, 8598=3...(5) HA SER 90 - H LEU 114 OK 16 73 - 22 - 3.0/436=5, 3.6/1494=5...(8) HA SER 29 - H LEU 114 OK 13 100 - 13 - 1768/4.6=3, 5049/4.7=2...(4) HA LYS 32 - H LEU 114 lone 6 90 - 7 - 1768/4.6=1, 5053/4.7=1...(4) HA SER 29 - H ALA 89 lone 5 89 - 6 - HA THR 121 - H LEU 114 lone 3 60 - 6 - HA PRO 60 - H LEU 114 lone 2 63 - 3 - HA LYS 32 - H ALA 89 lone 1 76 - 2 - HA PRO 60 - H ALA 89 lone 1 51 - 2 - HA THR 121 - H ALA 89 lone 1 48 - 2 - Peak 578 from nnoeabs.peaks (4.15, 7.97, 121.40 ppm; 3.96 A): 8 out of 24 assignments used, quality = 0.93: * HB2 SER 113 + H LEU 114 OK 81 100 - 81 - 4.7=62, 1.8/5891=17...(10) HA SER 78 + H LEU 114 OK 18 92 - 19 - 5054/4.7=3, 5046/3.6=3...(10) HA ILE 124 + H LEU 114 OK 16 96 - 17 - 5046/3.6=3, 5054/4.7=3...(4) HB2 SER 113 + H ALA 89 OK 15 90 - 17 - 5890=4, 1.8/5891=3...(4) HA ILE 63 + H LEU 114 OK 11 92 - 12 - 3.2/7123=3, 3.0/1354=1 HB3 SER 78 + H LEU 114 OK 11 68 - 16 - 1.8/579=3, 4042/4.7=3...(7) HA PHE 83 + H LEU 114 OK 11 100 - 11 - 8354/4.4=2, 3.0/433=1 HA PHE 83 + H ALA 89 OK 10 89 - 12 - 4190/4.6=3, 6148/1704=2 HA GLU 56 - H LEU 114 lone 8 90 - 8 - 3.6/576=2, 7024/3.6=1 HA ILE 63 - H ALA 89 lone 8 78 - 10 - 3.2/7123=3, 4.2/7558=1 HA ALA 98 - H LEU 114 lone 7 90 - 8 - HA PRO 37 - H LEU 114 lone 7 97 - 7 - HA ASN 108 - H LEU 114 lone 6 97 - 6 - 6203/1764=1 HA ILE 124 - H ALA 89 lone 5 82 - 7 - HA GLU 28 - H ALA 89 lone 5 89 - 5 - 6544/3.6=1, 6544/3.6=1 HA GLU 28 - H LEU 114 lone 5 100 - 5 - HA PRO 37 - H ALA 89 lone 5 85 - 5 - HB3 SER 72 - H LEU 114 lone 4 93 - 4 - 7281/4.6=1 HA ALA 98 - H ALA 89 lone 4 76 - 5 - HA SER 78 - H ALA 89 lone 4 78 - 5 - HA GLU 56 - H ALA 89 lone 3 76 - 3 - HB3 SER 78 - H ALA 89 lone 2 56 - 4 - HA ASN 108 - H ALA 89 lone 2 85 - 2 - HB3 SER 72 - H ALA 89 lone 1 80 - 2 - Peak 579 from nnoeabs.peaks (4.30, 7.97, 121.40 ppm; 3.41 A): 2 out of 14 assignments used, quality = 1.00: HA LEU 114 + H LEU 114 OK 100 100 - 100 - 3.0=100 * HB3 SER 113 + H LEU 114 OK 66 100 - 66 - 4.7=40, 1.8/5890=14...(13) HA LYS 65 - H LEU 114 OK 38 99 - 38 - 5674=9, 3.0/1472=5...(19) HA LEU 114 - H ALA 89 OK 18 89 - 20 - 5056=3, 3.6/1517=2...(8) HB2 SER 78 - H LEU 114 OK 18 100 - 18 - 4037/4.7=2, 5047/3.6=2...(11) HA LYS 65 - H ALA 89 OK 17 87 - 20 - 5674=5, 3.0/1472=3...(8) HB3 SER 113 - H ALA 89 OK 11 90 - 12 - 1.8/5890=3, 5891=2...(4) HA GLN 103 - H LEU 114 poor 9 73 - 12 - 3.0/1356=1, 5071/4.0=1...(4) HA GLU 94 - H LEU 114 poor 7 63 - 11 - 5071/4.0=1, 5085/4.4=1...(5) HB2 SER 78 - H ALA 89 lone 3 90 - 3 - HA ALA 122 - H LEU 114 lone 2 63 - 2 - HA ALA 122 - H ALA 89 lone 1 51 - 2 - HA GLN 103 - H ALA 89 lone 1 60 - 2 - HA GLU 94 - H ALA 89 lone 1 51 - 2 - Peak 580 from nnoeabs.peaks (7.97, 8.37, 121.97 ppm; 3.55 A): 6 out of 7 assignments used, quality = 0.88: * H LEU 114 + H VAL 115 OK 75 100 - 75 - 4.6=45, 4.0/582=8...(16) H ALA 89 + H VAL 115 OK 17 92 - 18 - 1517=6, 5056/3.6=2...(6) H ARG 92 + H VAL 115 OK 14 97 - 15 - 5056/3.6=3, 5070/4.6=2...(4) H VAL 66 + H VAL 115 OK 14 97 - 15 - 306/3.6=5, 5063/4.6=2...(4) H SER 44 + H VAL 115 OK 12 73 - 16 - 2.9/1770=3, 3.6/7962=2...(5) H THR 17 + H VAL 115 OK 11 78 - 14 - 4.0/7962=3, 6329/4.0=2...(8) HE ARG 85 - H VAL 115 lone 6 97 - 6 - 5056/3.6=1, 5070/4.6=1 Peak 581 from nnoeabs.peaks (4.29, 8.37, 121.97 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 114 + H VAL 115 OK 100 100 - 100 - 3.6=100 HB3 SER 113 + H VAL 115 OK 49 100 - 49 - 4.7/1517=13, 3.0/1768=12...(10) HA LYS 65 - H VAL 115 OK 20 100 - 21 - 5674/4.6=6, 5064/4.6=3...(6) HB2 SER 78 - H VAL 115 OK 19 100 - 19 - 3.9/1659=5, 4.5/1482=5...(6) HA GLN 103 - H VAL 115 poor 9 83 - 11 - 5071/4.6=2, 5064/4.6=2 HA GLU 94 - H VAL 115 lone 6 73 - 8 - 5071/4.6=2, 5064/4.6=2 HA ALA 122 - H VAL 115 lone 2 73 - 3 - Peak 582 from nnoeabs.peaks (2.08, 8.37, 121.97 ppm; 3.53 A): 4 out of 14 assignments used, quality = 0.84: * HB2 LEU 114 + H VAL 115 OK 74 100 - 74 - 4.6=44, 1.8/583=12...(13) HB3 PRO 70 + H VAL 115 OK 18 78 - 23 - ~6246=3, 3.0/1771=3...(11) HB2 GLU 15 + H VAL 115 OK 17 100 - 17 - 1.8/1361=4, 3.0/7961=3...(5) HG3 GLU 69 + H VAL 115 OK 11 98 - 11 - 1.8/1361=2, ~7250=2...(4) HB3 GLN 16 - H VAL 115 lone 10 100 - 10 - 4.1/587=2, 5058/3.6=2...(5) HB2 GLN 16 - H VAL 115 lone 10 100 - 10 - 4.1/587=2, 5058/3.6=2...(5) HG LEU 21 - H VAL 115 lone 7 100 - 8 - 5072/4.6=1, 5058/3.6=1 HB2 ARG 57 - H VAL 115 lone 6 97 - 6 - 3.7/1769=2, 5058/3.6=1 HB2 LEU 101 - H VAL 115 lone 6 87 - 7 - HB3 ARG 81 - H VAL 115 lone 5 57 - 9 - 4.0/383=4, 4.3/1676=2 HB ILE 63 - H VAL 115 lone 5 87 - 6 - HB2 GLN 105 - H VAL 115 lone 3 100 - 3 - HG2 GLU 64 - H VAL 115 lone 3 97 - 3 - HB3 GLU 38 - H VAL 115 lone 2 78 - 3 - Peak 583 from nnoeabs.peaks (1.50, 8.37, 121.97 ppm; 4.32 A): 1 out of 10 assignments used, quality = 0.94: * HB3 LEU 114 + H VAL 115 OK 94 100 - 94 - 4.6=81, 1.8/582=19...(15) HG LEU 91 - H VAL 115 OK 22 97 - 23 - 5059/3.6=4, 2.1/586=4...(8) HG LEU 93 - H VAL 115 OK 20 99 - 20 - 2.1/1362=3, 5059/3.6=3...(9) HD3 LYS 46 - H VAL 115 OK 19 63 - 30 - 2.9/7962=5, 2.9/7962=5...(13) HB3 LEU 58 - H VAL 115 OK 12 95 - 13 - 4.6/1772=3, 5059/3.6=2 HG3 ARG 92 - H VAL 115 lone 10 99 - 10 - 5059/3.6=2, 4.9/580=2...(4) HG2 ARG 92 - H VAL 115 lone 10 97 - 10 - 5059/3.6=2, 4.9/580=2...(4) HG2 ARG 85 - H VAL 115 lone 8 100 - 8 - 7497/4.6=2, 5059/3.6=2...(4) HB2 LEU 24 - H VAL 115 lone 5 99 - 5 - HG2 LYS 109 - H VAL 115 lone 5 83 - 6 - 3.7/1770=2 Peak 584 from nnoeabs.peaks (1.98, 8.37, 121.97 ppm; 4.41 A): 4 out of 14 assignments used, quality = 0.92: * HG LEU 114 + H VAL 115 OK 77 100 - 77 - 2.1/5896=20, 3.0/582=16...(17) HB2 LYS 46 + H VAL 115 OK 35 87 - 40 - 2.9/7962=5, 2.9/7962=5...(15) HB2 LEU 41 + H VAL 115 OK 27 100 - 27 - 3.1/1363=3, 8168/4.0=3...(13) HB2 LEU 55 + H VAL 115 OK 27 81 - 33 - 3.0/1770=6, 8168/4.0=5...(14) HB3 PRO 68 - H VAL 115 OK 20 100 - 21 - 5074/4.6=3, 5067/4.6=3...(8) HG2 PRO 68 - H VAL 115 OK 19 100 - 19 - 5895=3, 5060/3.6=3...(6) HB3 GLN 103 - H VAL 115 OK 13 100 - 13 - 4733/3.6=3, 5074/4.6=2...(5) HB ILE 124 - H VAL 115 OK 10 100 - 10 - 1356/4.6=2, 5060/3.6=1 HB2 GLU 94 - H VAL 115 lone 8 87 - 9 - 4519/3.6=2, 5074/4.6=1...(4) HB2 MET 11 - H VAL 115 lone 7 99 - 7 - 4.2/1772=2 HG LEU 45 - H VAL 115 lone 6 99 - 6 - HB3 GLU 94 - H VAL 115 lone 5 68 - 8 - 5060/3.6=1, 8537/4.6=1...(4) HG2 PRO 60 - H VAL 115 lone 5 95 - 5 - HB2 ARG 71 - H VAL 115 lone 3 99 - 3 - Peak 585 from nnoeabs.peaks (0.85, 8.37, 121.97 ppm; 3.72 A): 3 out of 8 assignments used, quality = 0.96: QG1 VAL 115 + H VAL 115 OK 73 78 - 94 - 4.0=79, 2.1/5113=27...(13) * QD2 LEU 114 + H VAL 115 OK 69 100 - 69 - 5896=17, 5085/3.6=13...(15) HG13 ILE 80 + H VAL 115 OK 51 89 - 57 - 2.1/4097=11, 4090=9...(17) QD2 LEU 55 - H VAL 115 OK 27 100 - 27 - 2.1/1363=4, 4.0/1770=3...(12) HG13 ILE 22 - H VAL 115 OK 21 93 - 23 - 3.2/1363=3, 5101/3.0=3...(10) QD1 LEU 93 - H VAL 115 OK 15 76 - 20 - 2.1/583=3, 5061/3.6=2...(9) QD1 LEU 59 - H VAL 115 OK 15 97 - 15 - 4.6/1772=3, 5061/3.6=2...(5) QD2 LEU 126 - H VAL 115 lone 3 83 - 3 - Peak 586 from nnoeabs.peaks (0.72, 8.37, 121.97 ppm; 4.45 A): 4 out of 8 assignments used, quality = 0.93: * QD1 LEU 114 + H VAL 115 OK 74 100 - 74 - 2.1/5896=20, 3.1/582=16...(14) QD2 LEU 111 + H VAL 115 OK 47 98 - 49 - 4.0/6224=14, ~5019=5...(16) HG LEU 111 + H VAL 115 OK 32 65 - 49 - 4.3/6224=13, 4.9/7925=12...(15) QD1 LEU 91 + H VAL 115 OK 24 83 - 29 - 2.1/583=4, 5062/3.6=4...(10) QD2 LEU 54 - H VAL 115 OK 17 89 - 19 - 5069/4.6=3, 5076/4.6=3...(5) QD1 LEU 84 - H VAL 115 OK 13 73 - 18 - 5069/4.6=3, 5076/4.6=3...(8) QG1 VAL 66 - H VAL 115 OK 11 63 - 18 - 7193/3.6=5, 3670/4.6=3...(5) HG3 GLU 75 - H VAL 115 lone 8 81 - 10 - 5062/3.6=2, 3.6/1771=2...(5) Peak 587 from nnoeabs.peaks (8.37, 8.02, 118.37 ppm; 3.60 A): 3 out of 6 assignments used, quality = 0.89: * H VAL 115 + H THR 116 OK 75 100 - 75 - 4.6=47, 5113/4.3=14...(10) H ILE 80 + H THR 116 OK 46 99 - 46 - 5098/3.6=8, 5113/4.3=7...(13) H VAL 115 + H THR 17 OK 17 72 - 24 - 1518=5, 4.0/5901=3...(10) H ILE 80 - H THR 17 poor 8 70 - 11 - 1669/4.6=3, 7407/3.0=1 H SER 74 - H THR 116 lone 4 78 - 5 - H SER 74 - H THR 17 lone 0 49 - 1 - Peak 588 from nnoeabs.peaks (3.62, 8.02, 118.37 ppm; 4.29 A): 2 out of 14 assignments used, quality = 1.00: * HA VAL 115 + H THR 116 OK 100 100 - 100 - 3.6=100 HA LEU 111 + H THR 116 OK 56 97 - 58 - 6224/4.6=11, 5880=10...(16) HA ILE 80 - H THR 116 OK 43 85 - 50 - 3.0/587=11, 4062/4.6=6...(17) HA VAL 115 - H THR 17 OK 25 72 - 35 - 8460/4.0=7, 3.2/5901=6...(9) HD2 PRO 70 - H THR 116 OK 21 99 - 21 - 7262/4.3=4, 5104/4.4=3...(6) HA LEU 111 - H THR 17 OK 16 67 - 24 - 4.0/7898=9, 8460/4.0=6...(5) HA LYS 46 - H THR 116 OK 13 83 - 15 - 5114/4.3=2, 5109/4.3=2...(6) HA ILE 80 - H THR 17 poor 8 55 - 14 - 6125/4.6=3, 3.0/587=2...(6) HA LEU 41 - H THR 116 poor 7 68 - 11 - 5114/4.3=2, 5109/4.3=1...(4) HA2 GLY 39 - H THR 116 lone 7 95 - 7 - 6012/4.3=1 HD2 PRO 70 - H THR 17 lone 6 70 - 8 - 8460/4.0=2 HA LYS 46 - H THR 17 lone 4 53 - 8 - 8460/4.0=3 HA LEU 41 - H THR 17 lone 4 42 - 9 - 8460/4.0=3, 4.1/8412=2, ~6060=1 HA2 GLY 39 - H THR 17 lone 2 64 - 3 - Peak 589 from nnoeabs.peaks (2.14, 8.02, 118.37 ppm; 3.57 A): 6 out of 10 assignments used, quality = 0.91: * HB VAL 115 + H THR 116 OK 73 100 - 73 - 4.4=52, 2.1/5900=13...(10) HG12 ILE 80 + H THR 116 OK 23 68 - 34 - 2.1/1367=4, 5.1/587=4...(16) HB3 GLU 15 + H THR 116 OK 22 100 - 22 - 3.0/5959=5, 5100/3.6=3...(9) HB3 GLU 15 + H THR 17 OK 20 72 - 28 - 31/4.6=10, 3.0/5959=5...(9) HB VAL 115 + H THR 17 OK 19 72 - 27 - 2.1/5901=5, 5899=5...(8) HB2 PRO 30 + H THR 116 OK 16 100 - 16 - 5110/4.3=4, 5115/4.3=4...(4) HG2 GLU 69 - H THR 116 lone 7 96 - 7 - 7250/3.6=2, 1361/4.6=1 HG2 GLU 69 - H THR 17 lone 3 65 - 5 - 31/4.6=1 HB2 PRO 30 - H THR 17 lone 3 72 - 5 - 31/4.6=1, ~5967=1 HG12 ILE 80 - H THR 17 lone 3 42 - 8 - 31/4.6=2 Peak 590 from nnoeabs.peaks (0.83, 8.02, 118.37 ppm; 3.56 A): 4 out of 18 assignments used, quality = 0.93: * QG1 VAL 115 + H THR 116 OK 80 100 - 80 - 4.3=57, 2.1/5899=14...(12) QD1 LEU 93 + H THR 116 OK 36 100 - 36 - 8377/4.1=11, 4506/3.8=7...(12) HG13 ILE 22 + H THR 116 OK 29 99 - 30 - 5101/3.6=3, 5116/4.3=3...(14) HB2 ASN 118 + H THR 116 OK 25 99 - 26 - 4.0/1784=8, 6245/3.6=6...(10) QD2 LEU 114 - H THR 116 OK 25 78 - 32 - 4.0/6235=7, 5896/4.6=6...(7) QD2 LEU 91 - H THR 116 OK 21 93 - 23 - 8368/4.1=6, 7590/4.6=4...(6) QG1 VAL 115 - H THR 17 OK 20 72 - 27 - 2.1/5901=5, 5900=4...(8) QD1 ILE 22 - H THR 116 OK 16 60 - 26 - 3.0/591=2, 6244/3.6=2...(12) QD2 LEU 55 - H THR 116 OK 14 87 - 16 - 5101/3.6=2, 4.0/1776=2...(7) QD1 LEU 59 - H THR 116 OK 11 96 - 11 - 3417/4.6=3, 4.6/1519=2 HG13 ILE 22 - H THR 17 poor 8 69 - 11 - 2169/3.0=2, ~2162=1...(5) QD2 LEU 114 - H THR 17 poor 5 49 - 10 - 7959/4.0=3, 4.0/6235=2...(4) QD1 ILE 22 - H THR 17 poor 4 36 - 10 - 2176/3.0=1, ~6332=1...(5) QD1 LEU 93 - H THR 17 lone 2 72 - 3 - QD2 LEU 55 - H THR 17 lone 2 56 - 4 - QD1 LEU 59 - H THR 17 lone 2 65 - 3 - HB2 ASN 118 - H THR 17 lone 2 69 - 3 - QD2 LEU 91 - H THR 17 lone 1 62 - 2 - Peak 591 from nnoeabs.peaks (0.92, 8.02, 118.37 ppm; 3.81 A): 3 out of 22 assignments used, quality = 0.95: * QG2 VAL 115 + H THR 116 OK 88 100 - 88 - 4.3=69, 2.1/5899=15...(13) QG2 VAL 115 + H THR 17 OK 38 72 - 53 - 8603/4.8=17, 7976/4.0=9...(11) QG2 ILE 22 + H THR 116 OK 34 100 - 34 - 2159/4.3=4, 5102/3.6=4...(15) QD1 LEU 55 - H THR 116 OK 19 97 - 20 - 5102/3.6=3, 5112/4.3=2...(8) QD1 LEU 117 - H THR 116 OK 19 92 - 20 - 4.6/592=11, 5102/3.6=2...(5) QD1 LEU 41 - H THR 17 OK 18 69 - 27 - 8729/4.7=7, 6757/4.0=6...(6) QG2 ILE 22 - H THR 17 OK 15 72 - 21 - 6436/4.0=3, 6426/4.7=3...(6) QD1 LEU 41 - H THR 116 OK 13 99 - 14 - 5102/3.6=2, 1363/4.6=2...(4) QD2 LEU 27 - H THR 116 OK 12 100 - 12 - 5102/3.6=2, 5112/4.3=1...(4) QD1 LEU 27 - H THR 116 OK 11 100 - 11 - 5102/3.6=2, 5112/4.3=1 QD2 LEU 27 - H THR 17 OK 11 72 - 15 - 6354/4.7=3, 6335/4.0=3...(5) QD1 LEU 27 - H THR 17 OK 11 72 - 15 - 8729/4.7=3, 6757/4.0=2...(5) HB2 GLN 42 - H THR 116 lone 10 99 - 10 - 6013/3.6=3, 1363/4.6=1 HB2 GLN 42 - H THR 17 poor 7 70 - 11 - ~5969=2, 6335/4.0=2...(4) QG2 VAL 49 - H THR 116 lone 6 100 - 6 - 8499/4.6=1 QD1 ILE 63 - H THR 116 lone 6 89 - 6 - QD1 ILE 63 - H THR 17 lone 5 58 - 9 - 3533/4.6=2, 7146/3.0=1 QG2 VAL 49 - H THR 17 lone 4 71 - 6 - QD1 LEU 55 - H THR 17 lone 4 66 - 6 - QD1 LEU 126 - H THR 116 lone 3 90 - 4 - QD1 LEU 117 - H THR 17 lone 3 61 - 5 - 4.6/592=1 QD1 LEU 126 - H THR 17 lone 2 59 - 3 - Peak 592 from nnoeabs.peaks (8.02, 8.66, 122.46 ppm; 3.67 A): 3 out of 4 assignments used, quality = 0.85: * H THR 116 + H LEU 117 OK 75 100 - 75 - 4.6=52, 5122/4.2=14...(10) H SER 112 + H LEU 117 OK 23 92 - 26 - 1784/4.7=4, 3.6/1778=3...(9) H THR 19 + H LEU 117 OK 22 100 - 22 - 5126/4.3=4, 5122/4.2=4...(7) H THR 17 - H LEU 117 lone 7 73 - 9 - 1519=2 Peak 593 from nnoeabs.peaks (3.83, 8.66, 122.46 ppm; 4.28 A): 2 out of 12 assignments used, quality = 1.00: * HA THR 116 + H LEU 117 OK 100 100 - 100 - 3.6=100 HA LYS 119 + H LEU 117 OK 61 100 - 61 - 5914=12, 3.0/1789=11...(19) HA THR 19 - H LEU 117 OK 29 95 - 31 - 3.0/592=6, 5902=5...(7) HA GLU 15 - H LEU 117 OK 15 83 - 18 - 5959/4.6=4, 8188/4.0=2...(6) HA LEU 77 - H LEU 117 OK 10 99 - 10 - 6107/1779=2, 1365/4.6=1...(4) HB3 SER 29 - H LEU 117 OK 10 89 - 11 - 3.0/1781=4 HB2 SER 29 - H LEU 117 poor 10 87 - 11 - 3.0/1781=4 HA3 GLY 88 - H LEU 117 lone 5 90 - 6 - 1783/4.7=1 HA2 GLY 88 - H LEU 117 lone 4 83 - 5 - 1783/4.7=1 HA3 GLY 39 - H LEU 117 lone 3 76 - 4 - HB2 SER 35 - H LEU 117 lone 3 65 - 4 - 3.0/594=1 HA3 GLY 104 - H LEU 117 lone 3 68 - 4 - 3.6/1508=1 Peak 594 from nnoeabs.peaks (4.37, 8.66, 122.46 ppm; 3.75 A): 4 out of 7 assignments used, quality = 0.91: * HB THR 116 + H LEU 117 OK 84 100 - 84 - 4.2=73, 2.1/5904=16...(6) HA LEU 93 + H LEU 117 OK 26 97 - 27 - 5128/4.3=5, 3.8/8001=4...(7) HA MET 11 + H LEU 117 OK 12 100 - 11 - 5431=4, 3.0/8597=2...(5) HA GLN 105 + H LEU 117 OK 10 99 - 10 - 5850=2, 5128/4.3=1 HA CYS 76 - H LEU 117 lone 6 93 - 7 - 1366/4.6=1 HA ASP 100 - H LEU 117 lone 4 83 - 5 - 7690=2 HA SER 35 - H LEU 117 lone 4 100 - 4 - Peak 595 from nnoeabs.peaks (1.27, 8.66, 122.46 ppm; 4.10 A): 1 out of 6 assignments used, quality = 0.96: * QG2 THR 116 + H LEU 117 OK 96 100 - 96 - 4.3=88, 2.1/594=23...(12) QG2 ILE 80 - H LEU 117 OK 36 100 - 36 - 4.0/1779=7, 7409/3.0=6...(10) QD1 ILE 80 - H LEU 117 OK 36 100 - 36 - 7411/3.6=6, 4.9/1779=6...(11) QG2 THR 19 - H LEU 117 OK 23 96 - 24 - 2015/3.6=5, 2014/4.6=5...(6) HG3 LYS 32 - H LEU 117 OK 18 98 - 18 - 3.8/1781=3, 8005/3.0=2...(7) HG LEU 54 - H LEU 117 OK 16 95 - 16 - 3201/4.6=5, 8005/3.0=3...(4) Peak 596 from nnoeabs.peaks (8.66, 7.74, 118.75 ppm; 3.64 A): 3 out of 5 assignments used, quality = 0.94: * H LEU 117 + H ASN 118 OK 75 100 - 75 - 4.7=48, 4.0/599=10...(14) H VAL 120 + H ASN 118 OK 51 97 - 52 - 1794=17, 1795/3.6=10...(9) H LEU 59 + H ASN 118 OK 49 99 - 49 - 271=12, 7072/3.0=7...(17) H ASN 12 - H ASN 118 lone 8 98 - 8 - 1789/4.6=1 H ASN 106 - H ASN 118 lone 2 65 - 4 - Peak 597 from nnoeabs.peaks (3.99, 7.74, 118.75 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 117 + H ASN 118 OK 100 100 - 100 - 3.6=100 HA THR 62 - H ASN 118 OK 29 99 - 29 - 5138/4.2=6, 5145/4.2=6...(10) HA ARG 81 - H ASN 118 OK 18 100 - 19 - 1788/4.6=5, 5145/4.2=4...(4) HA PHE 107 - H ASN 118 OK 11 85 - 13 - 5145/4.2=3, 5138/4.2=3...(4) Peak 598 from nnoeabs.peaks (1.77, 7.74, 118.75 ppm; 3.81 A): 2 out of 14 assignments used, quality = 0.95: * HB2 LEU 117 + H ASN 118 OK 89 100 - 89 - 4.2=76, 1.8/599=19...(13) HG LEU 117 + H ASN 118 OK 55 97 - 57 - 3.0/599=14, 2.1/602=11...(11) HB3 GLU 56 - H ASN 118 OK 14 85 - 17 - 4.6/1521=5, 3.7/1521=3...(7) HB2 PRO 37 - H ASN 118 poor 10 95 - 11 - 1.8/599=2, 5146/4.2=2 HG3 PRO 30 - H ASN 118 lone 9 97 - 9 - 5146/4.2=2, 5152/3.6=2 HB2 GLU 75 - H ASN 118 lone 6 100 - 6 - 5146/4.2=1 HD3 LYS 109 - H ASN 118 lone 5 99 - 5 - HD2 LYS 109 - H ASN 118 lone 5 97 - 5 - HB3 LYS 46 - H ASN 118 lone 5 78 - 6 - 3.0/1785=1 HG2 GLN 42 - H ASN 118 lone 5 93 - 5 - HB VAL 66 - H ASN 118 lone 4 68 - 6 - 5148/4.2=1, 5134/3.6=1 HB2 LYS 32 - H ASN 118 lone 4 95 - 4 - 1370/4.7=1 HB2 LEU 45 - H ASN 118 lone 3 83 - 3 - HG3 ARG 71 - H ASN 118 lone 2 89 - 2 - Peak 599 from nnoeabs.peaks (2.23, 7.74, 118.75 ppm; 3.80 A): 3 out of 12 assignments used, quality = 0.92: * HB3 LEU 117 + H ASN 118 OK 88 100 - 88 - 4.2=75, 1.8/598=15...(13) HB2 PRO 70 + H ASN 118 OK 23 97 - 24 - 3.0/1785=5, 2.3/1378=5...(8) HG2 GLU 56 + H ASN 118 OK 13 95 - 14 - 5133/3.6=2, 1371/4.7=2...(6) HB3 PRO 37 - H ASN 118 poor 9 87 - 11 - 5140/4.2=2, 5133/3.6=2...(4) HG3 GLU 15 - H ASN 118 poor 9 87 - 11 - 1.8/1378=3, 6322/4.2=2...(4) HB2 PRO 68 - H ASN 118 lone 8 100 - 8 - 5140/4.2=2, 5133/3.6=2 HG2 GLU 38 - H ASN 118 lone 6 99 - 6 - 5133/3.6=1, 5140/4.2=1 HG3 GLU 38 - H ASN 118 lone 6 99 - 6 - 5133/3.6=1, 5140/4.2=1 HG3 GLU 28 - H ASN 118 lone 4 100 - 4 - HG2 GLU 28 - H ASN 118 lone 4 100 - 4 - HG2 GLU 94 - H ASN 118 lone 3 99 - 3 - HG3 GLU 64 - H ASN 118 lone 2 100 - 2 - Peak 600 from nnoeabs.peaks (1.76, 7.74, 118.75 ppm; 3.81 A): 2 out of 16 assignments used, quality = 0.94: HB2 LEU 117 + H ASN 118 OK 86 97 - 89 - 4.2=76, 1.8/599=19...(13) * HG LEU 117 + H ASN 118 OK 57 100 - 57 - 3.0/599=14, 2.1/602=11...(12) HB2 LEU 91 - H ASN 118 OK 20 63 - 33 - 3.1/4400=6, 1.8/4386=5...(11) HG3 PRO 30 - H ASN 118 lone 10 100 - 10 - 5148/4.2=2, 5152/3.6=2 HB2 PRO 37 - H ASN 118 lone 7 73 - 10 - 1.8/599=2, 5146/4.2=2 HB3 LYS 46 - H ASN 118 lone 6 97 - 7 - 3.0/1785=1 HB VAL 66 - H ASN 118 lone 6 92 - 7 - 5148/4.2=2, 5134/3.6=1 HG2 GLN 42 - H ASN 118 lone 5 100 - 5 - HD2 LYS 109 - H ASN 118 lone 5 100 - 5 - HD3 LYS 109 - H ASN 118 lone 5 100 - 5 - HB2 GLU 75 - H ASN 118 lone 5 95 - 5 - HB2 LEU 45 - H ASN 118 lone 4 98 - 4 - HB2 LYS 32 - H ASN 118 lone 3 73 - 4 - HG3 ARG 71 - H ASN 118 lone 2 99 - 2 - HB2 ARG 53 - H ASN 118 lone 2 81 - 2 - HG2 ARG 71 - H ASN 118 lone 1 85 - 2 - Peak 601 from nnoeabs.peaks (0.91, 7.74, 118.75 ppm; 4.13 A): 9 out of 14 assignments used, quality = 0.95: * QD1 LEU 117 + H ASN 118 OK 68 100 - 68 - 3.1/599=16, 3.1/598=13...(12) QG2 VAL 115 + H ASN 118 OK 42 92 - 46 - 3.2/6243=17, 4.3/1784=10...(10) QD2 LEU 59 + H ASN 118 OK 21 65 - 32 - 4.6/271=6, 2.1/1377=4...(12) QD2 LEU 27 + H ASN 118 OK 19 93 - 20 - 5135/3.6=3, 5142/4.2=2...(8) QD1 LEU 55 + H ASN 118 OK 17 68 - 26 - 4.0/8639=5, 2.1/7020=4...(9) QD1 LEU 27 + H ASN 118 OK 15 89 - 17 - 5135/3.6=3, 5142/4.2=2...(7) QD1 LEU 126 + H ASN 118 OK 15 100 - 15 - 5410=3, 2.1/5417=2...(4) QG2 VAL 49 + H ASN 118 OK 14 97 - 15 - 5142/4.2=2, 5149/4.2=2...(5) QG2 ILE 22 + H ASN 118 OK 14 92 - 15 - 3.2/1377=2, 8029/4.6=1...(6) HB2 GLN 42 - H ASN 118 lone 10 99 - 10 - 5142/4.2=1, 5135/3.6=1 QG1 VAL 49 - H ASN 118 poor 8 65 - 12 - 5135/3.6=2, 5142/4.2=2...(4) QD2 LEU 41 - H ASN 118 lone 6 83 - 7 - QD1 LEU 41 - H ASN 118 lone 4 76 - 6 - QD1 ILE 124 - H ASN 118 lone 3 78 - 4 - Peak 602 from nnoeabs.peaks (1.13, 7.74, 118.75 ppm; 4.29 A): 3 out of 5 assignments used, quality = 0.93: * QD2 LEU 117 + H ASN 118 OK 77 100 - 77 - 3.1/599=17, 5136/3.6=14...(17) QG2 VAL 120 + H ASN 118 OK 59 96 - 62 - 8060/3.6=17, 4.0/1794=11...(13) HB3 LEU 54 + H ASN 118 OK 31 81 - 38 - 3.1/6975=7, 1.8/1378=5...(12) QG2 VAL 50 - H ASN 118 OK 22 100 - 22 - 5143/4.2=3, 5150/4.2=3...(8) QG2 THR 62 - H ASN 118 OK 19 68 - 27 - 3.2/597=5, 3495/3.6=4...(8) Peak 603 from nnoeabs.peaks (7.74, 7.60, 118.81 ppm; 3.41 A): 4 out of 6 assignments used, quality = 0.85: * H ASN 118 + H LYS 119 OK 64 100 - 64 - 4.6=40, 4.0/5913=9...(8) H LEU 58 + H LYS 119 OK 47 93 - 51 - 263=15, 1794/4.6=5...(17) H LEU 91 + H LYS 119 OK 12 97 - 12 - 5178/4.6=2, 5172/3.6=2...(5) H SER 90 + H LYS 119 OK 11 93 - 12 - 5178/4.6=2, 5172/3.6=1 H LEU 126 - H LYS 119 lone 7 96 - 7 - HE21 GLN 103 - H LYS 119 lone 2 65 - 3 - Peak 604 from nnoeabs.peaks (3.55, 7.60, 118.81 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 118 + H LYS 119 OK 100 100 - 100 - 3.6=100 HD2 PRO 60 - H LYS 119 OK 29 100 - 29 - 4.8/1789=7, 1376/4.6=4...(8) HA LEU 51 - H LYS 119 OK 25 97 - 26 - 5185/4.6=4, 5179/4.6=3...(12) HB2 ASP 47 - H LYS 119 OK 11 99 - 11 - 6871/4.6=4, 5179/4.6=2 Peak 605 from nnoeabs.peaks (0.82, 7.60, 118.81 ppm; 3.54 A): 5 out of 9 assignments used, quality = 0.92: * HB2 ASN 118 + H LYS 119 OK 65 100 - 65 - 4.6=45, 1.8/606=18...(5) QG1 VAL 115 + H LYS 119 OK 47 99 - 48 - 7979=7, 3.2/6248=6...(17) QD2 LEU 91 + H LYS 119 OK 27 99 - 28 - 7590/4.6=4, 4400/4.6=3...(9) QD1 LEU 59 + H LYS 119 OK 24 83 - 29 - 4.6/1789=5, 2.1/8029=4...(9) QD1 LEU 93 + H LYS 119 OK 22 99 - 22 - 8378/8041=2, 1377/4.6=2...(9) HG13 ILE 22 - H LYS 119 OK 18 90 - 20 - 8030/4.0=2, 3.2/8029=2...(7) QD2 LEU 55 - H LYS 119 OK 16 68 - 24 - 2.1/1383=3, 4.0/6077=3...(10) QD1 ILE 22 - H LYS 119 OK 15 81 - 19 - 3.0/8029=2, 6438/3.0=2...(6) QD1 LEU 111 - H LYS 119 OK 15 71 - 21 - 4.7/1792=6, 4.0/1791=4...(4) Peak 606 from nnoeabs.peaks (2.35, 7.60, 118.81 ppm; 3.54 A): 4 out of 9 assignments used, quality = 0.73: * HB3 ASN 118 + H LYS 119 OK 60 100 - 60 - 4.6=45, 1.8/5912=14...(4) HB2 LEU 54 + H LYS 119 OK 14 78 - 17 - 3.1/6976=3, 5175/3.6=3...(7) HG2 PRO 70 + H LYS 119 OK 13 100 - 13 - 5175/3.6=3, 2.3/1791=3...(5) HB VAL 18 + H LYS 119 OK 11 100 - 11 - 2.1/8028=2, 5175/3.6=2...(5) HG2 GLU 15 - H LYS 119 lone 7 92 - 8 - 1378/4.6=1 HB3 GLU 82 - H LYS 119 lone 4 95 - 4 - HB2 GLU 82 - H LYS 119 lone 4 95 - 4 - HB2 GLN 103 - H LYS 119 lone 3 85 - 4 - HG2 MET 11 - H LYS 119 lone 2 71 - 3 - 5.0/1789=1 Peak 609 from nnoeabs.peaks (7.60, 8.65, 114.21 ppm; 3.48 A): 4 out of 6 assignments used, quality = 0.89: * H LYS 119 + H VAL 120 OK 73 100 - 73 - 4.6=42, 5200/4.7=9...(17) H ARG 57 + H VAL 120 OK 40 100 - 40 - 7044=6, 4.6/1794=5...(12) H GLU 56 + H VAL 120 OK 21 71 - 30 - 2.9/8300=5, 3.6/6999=4...(14) H SER 113 + H VAL 120 OK 12 87 - 14 - 1799/4.6=2, 8041/4.0=1...(4) HD21 ASN 12 - H VAL 120 lone 8 83 - 9 - 5190/3.6=2, 5200/4.7=1...(4) H CYS 52 - H VAL 120 lone 4 71 - 6 - Peak 610 from nnoeabs.peaks (3.83, 8.65, 114.21 ppm; 3.73 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 119 + H VAL 120 OK 100 100 - 100 - 3.6=100 HA THR 116 + H VAL 120 OK 52 100 - 53 - 3.2/5904=9, 8061/4.0=8...(15) HA THR 19 - H VAL 120 OK 17 97 - 17 - 6255=2, 6250/4.6=2...(7) HA LEU 77 - H VAL 120 lone 9 100 - 9 - 6108/4.7=1 HA GLU 15 - H VAL 120 lone 6 89 - 7 - HA3 GLY 88 - H VAL 120 lone 4 85 - 5 - HB3 SER 29 - H VAL 120 lone 4 83 - 5 - HA3 GLY 104 - H VAL 120 lone 4 76 - 5 - 3.6/1508=3 HB2 SER 29 - H VAL 120 lone 4 81 - 4 - HB2 SER 35 - H VAL 120 lone 3 73 - 5 - 8061/4.0=1, 8059/4.0=1 HA2 GLY 88 - H VAL 120 lone 3 76 - 4 - HA THR 33 - H VAL 120 lone 3 63 - 4 - HB THR 33 - H VAL 120 lone 3 60 - 4 - HA3 GLY 39 - H VAL 120 lone 1 68 - 2 - Peak 611 from nnoeabs.peaks (1.88, 8.65, 114.21 ppm; 3.68 A): 4 out of 15 assignments used, quality = 0.93: * HB2 LYS 119 + H VAL 120 OK 77 100 - 77 - 4.7=50, 1.8/612=14...(15) HB2 LEU 58 + H VAL 120 OK 45 95 - 47 - 5646=7, 3.9/1794=7...(16) HB3 LYS 31 + H VAL 120 OK 30 100 - 31 - 2416/3.0=6, 3.0/1392=5...(11) HG LEU 55 + H VAL 120 OK 25 100 - 25 - 4.3/6999=4, 2.1/8499=4...(8) HG LEU 84 - H VAL 120 OK 12 100 - 12 - 3.0/614=2, 5192/3.6=2 HB3 LYS 109 - H VAL 120 OK 11 85 - 14 - 1.8/612=3, 5192/3.6=2...(4) HB VAL 50 - H VAL 120 OK 11 100 - 11 - 2.1/1395=3, 3056/4.0=2, ~5284=1 HB2 LEU 84 - H VAL 120 poor 9 87 - 11 - 1.8/614=2, 5192/3.6=1 HB2 ARG 81 - H VAL 120 poor 8 76 - 10 - 3.0/1795=4 HB ILE 22 - H VAL 120 poor 7 73 - 10 - 5982/3.6=2, 2.9/8062=1 HG3 PRO 68 - H VAL 120 lone 3 92 - 4 - HB2 GLU 28 - H VAL 120 lone 3 85 - 3 - HB3 GLU 28 - H VAL 120 lone 3 92 - 3 - HB2 ARG 92 - H VAL 120 lone 3 98 - 3 - HB3 GLU 73 - H VAL 120 lone 2 68 - 2 - Peak 612 from nnoeabs.peaks (1.94, 8.65, 114.21 ppm; 3.62 A): 6 out of 15 assignments used, quality = 0.92: * HB3 LYS 119 + H VAL 120 OK 73 100 - 73 - 4.7=47, 1.8/5915=15...(14) HG LEU 58 + H VAL 120 OK 42 97 - 44 - 2.1/1394=6, 3.0/5646=5...(18) HB3 PRO 30 + H VAL 120 OK 19 100 - 19 - 5916=4, 5193/3.6=3...(7) HB ILE 80 + H VAL 120 OK 19 81 - 23 - 2.1/8440=5, 3.2/8440=4...(9) HB2 LYS 109 + H VAL 120 OK 15 99 - 15 - 5193/3.6=3, 5203/4.7=2...(5) HB2 LEU 21 + H VAL 120 OK 11 89 - 13 - 1.8/1394=3, 8046/4.0=2...(4) HB3 MET 11 - H VAL 120 lone 3 65 - 5 - HB2 GLU 64 - H VAL 120 lone 3 99 - 3 - HB3 GLU 64 - H VAL 120 lone 3 99 - 3 - HB3 GLU 69 - H VAL 120 lone 3 100 - 3 - HB2 GLU 38 - H VAL 120 lone 3 100 - 3 - HB3 ARG 85 - H VAL 120 lone 2 100 - 2 - HB2 ARG 85 - H VAL 120 lone 2 100 - 2 - HB3 GLU 94 - H VAL 120 lone 2 97 - 2 - HG LEU 45 - H VAL 120 lone 1 63 - 2 - Peak 613 from nnoeabs.peaks (1.46, 8.65, 114.21 ppm; 4.83 A): 4 out of 16 assignments used, quality = 0.97: * HG2 LYS 119 + H VAL 120 OK 77 100 - 77 - 2.9/5915=18, 2.9/612=16...(16) HG3 LYS 31 + H VAL 120 OK 54 100 - 55 - 5917=7, ~2426=6...(18) HB2 LEU 93 + H VAL 120 OK 44 100 - 45 - 8178/4.0=8, 8179/4.0=6...(13) HB3 LEU 58 + H VAL 120 OK 41 65 - 63 - 3.9/1794=12, 1.8/5646=11...(19) HD2 LYS 46 - H VAL 120 OK 28 100 - 29 - 2.9/614=5, 2.9/614=5...(8) HG3 ARG 57 - H VAL 120 OK 24 99 - 24 - 5.1/609=7, 3323/4.6=5...(6) HG2 LYS 109 - H VAL 120 OK 18 83 - 22 - 2.9/612=3, 5194/3.6=3...(9) HG LEU 91 - H VAL 120 OK 18 60 - 29 - 2.1/7590=12, 8179/4.0=6...(4) HB3 LEU 101 - H VAL 120 OK 17 81 - 21 - 3.1/1394=5, 4664/4.0=4...(6) HG LEU 24 - H VAL 120 OK 14 97 - 15 - 2216/3.0=2, 4.3/1392=1...(5) QB ALA 14 - H VAL 120 OK 14 100 - 14 - 6308/4.7=2, 5194/3.6=1...(4) QB ALA 89 - H VAL 120 OK 13 83 - 16 - 7564/4.0=4, 3.6/1794=3 HB3 LEU 45 - H VAL 120 lone 7 97 - 7 - HB3 GLU 75 - H VAL 120 lone 5 97 - 5 - HD2 LYS 65 - H VAL 120 lone 4 89 - 4 - HD3 LYS 65 - H VAL 120 lone 4 89 - 4 - Peak 614 from nnoeabs.peaks (1.32, 8.65, 114.21 ppm; 4.72 A): 5 out of 9 assignments used, quality = 0.93: * HG3 LYS 119 + H VAL 120 OK 71 100 - 71 - 2.9/5915=17, 2.9/612=15...(13) HG2 LYS 46 + H VAL 120 OK 32 98 - 32 - 5195/3.6=7, 5205/4.7=5...(7) HG3 LYS 46 + H VAL 120 OK 32 98 - 32 - 5195/3.6=7, 5205/4.7=5...(7) HB3 LEU 59 + H VAL 120 OK 32 68 - 46 - 3.0/3410=7, 3403=6...(14) HB3 LEU 84 + H VAL 120 OK 20 97 - 20 - 5195/3.6=3, 5205/4.7=3...(9) QG2 THR 17 - H VAL 120 lone 9 98 - 9 - 1386/4.6=1, 5195/3.6=1 QG2 THR 23 - H VAL 120 lone 8 100 - 8 - 5195/3.6=1 QB ALA 43 - H VAL 120 lone 6 93 - 7 - HG CYS 87 - H VAL 120 lone 5 99 - 5 - Peak 619 from nnoeabs.peaks (8.65, 7.69, 109.09 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.90: * H VAL 120 + H THR 121 OK 76 100 - 76 - 4.6=42, 1394/3.9=13...(11) H LEU 117 + H THR 121 OK 46 97 - 47 - 3.0/1801=8, 5295/3.9=8...(14) H LEU 59 + H THR 121 OK 27 90 - 29 - 7087/3.9=6, 8071/4.0=4...(10) H ASN 106 - H THR 121 lone 8 89 - 8 - 5280/3.6=1, 4.8/621=1...(5) H ASN 12 - H THR 121 lone 5 85 - 5 - Peak 620 from nnoeabs.peaks (4.08, 7.69, 109.09 ppm; 3.97 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 120 + H THR 121 OK 100 100 - 100 - 3.6=100 HA LYS 31 - H THR 121 OK 22 100 - 22 - 5296/3.9=5, 5291/3.9=4...(7) HA LEU 55 - H THR 121 OK 15 68 - 23 - 7009/3.9=5, 6999/4.6=3...(8) HA SER 112 - H THR 121 OK 14 73 - 19 - 3.0/565=6, 4.8/4990=4...(4) HA SER 44 - H THR 121 lone 6 92 - 6 - 1809/1802=1 HA LEU 24 - H THR 121 lone 5 93 - 5 - 5291/3.9=1, 5296/3.9=1 Peak 621 from nnoeabs.peaks (2.30, 7.69, 109.09 ppm; 4.01 A): 4 out of 8 assignments used, quality = 0.93: * HB VAL 120 + H THR 121 OK 89 100 - 89 - 4.4=73, 2.1/5926=26...(10) HB3 PRO 60 + H THR 121 OK 17 78 - 22 - 3.0/1800=7, 5924=4...(6) HG2 GLN 105 + H THR 121 OK 13 92 - 14 - 5282/3.6=3, 1393/4.6=3...(6) HG3 GLN 105 + H THR 121 OK 12 90 - 14 - 5282/3.6=3, 1393/4.6=3...(6) HG3 GLU 56 - H THR 121 poor 10 87 - 11 - 4.9/1799=2, 5297/3.9=2...(5) HG2 GLN 16 - H THR 121 lone 4 99 - 4 - HB2 CYS 87 - H THR 121 lone 3 60 - 5 - 8091/4.0=1 HG3 GLU 94 - H THR 121 lone 2 60 - 3 - Peak 622 from nnoeabs.peaks (1.03, 7.69, 109.09 ppm; 3.94 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 120 + H THR 121 OK 100 100 - 100 - 3.9=100 HB3 LEU 27 - H THR 121 OK 34 73 - 46 - 8086/4.0=7, 8078/3.0=6...(15) QD1 LEU 58 - H THR 121 OK 20 60 - 33 - 8086/4.0=6, 8078/3.0=4...(11) QD2 LEU 101 - H THR 121 OK 19 100 - 19 - 5298/3.9=3, 5283/3.6=3...(8) HB3 LEU 21 - H THR 121 poor 9 85 - 11 - 5283/3.6=3, 5298/3.9=2...(4) QG2 THR 33 - H THR 121 lone 6 81 - 7 - 6619/3.0=2, ~6617=1 Peak 623 from nnoeabs.peaks (1.12, 7.69, 109.09 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.99: * QG2 VAL 120 + H THR 121 OK 99 100 - 99 - 3.9=95, 5296/3.6=20...(16) QD2 LEU 117 + H THR 121 OK 46 96 - 48 - 3.8/1801=9, 8087/4.0=7...(12) QG2 THR 62 - H THR 121 OK 20 93 - 21 - 3.2/1801=4, 5284/3.6=3...(6) QG2 VAL 50 - H THR 121 OK 16 96 - 16 - 6924/4.0=2, 5284/3.6=2...(7) Peak 624 from nnoeabs.peaks (7.69, 7.65, 125.52 ppm; 2.59 A): 2 out of 3 assignments used, quality = 0.58: * H THR 121 + H ALA 122 OK 53 100 - 53 - 1524=27, 4.0/5929=8...(9) H LEU 111 + H ALA 122 OK 12 97 - 12 - 5308/4.2=3, 5300/3.6=2...(4) HE21 GLN 103 - H ALA 122 lone 2 83 - 2 - Peak 625 from nnoeabs.peaks (4.41, 7.65, 125.52 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 121 + H ALA 122 OK 100 100 - 100 - 3.6=100 HA LYS 32 - H ALA 122 lone 9 95 - 9 - 5309/4.2=2, 5305/4.4=2...(4) HA LEU 93 - H ALA 122 poor 8 60 - 13 - 5309/4.2=3, 3.0/627=2...(4) HA SER 113 - H ALA 122 lone 4 60 - 6 - 5927=1, 1807/4.6=1 HA SER 29 - H ALA 122 lone 3 73 - 4 - Peak 626 from nnoeabs.peaks (4.56, 7.65, 125.52 ppm; 3.96 A): 2 out of 8 assignments used, quality = 0.89: * HB THR 121 + H ALA 122 OK 87 100 - 87 - 4.4=73, 2.1/5929=31...(5) HA LEU 27 + H ALA 122 OK 17 71 - 24 - 3.0/8096=5, 5302/3.6=5...(5) HA ASP 47 - H ALA 122 lone 7 85 - 8 - 3.0/1806=3, 5302/3.6=2 HA ASN 99 - H ALA 122 lone 6 100 - 6 - 4.5/1402=1 HA GLU 82 - H ALA 122 lone 3 90 - 3 - HA ASN 79 - H ALA 122 lone 3 93 - 3 - HA THR 95 - H ALA 122 lone 3 96 - 3 - HA GLU 69 - H ALA 122 lone 2 87 - 2 - Peak 627 from nnoeabs.peaks (1.38, 7.65, 125.52 ppm; 3.02 A): 3 out of 8 assignments used, quality = 0.73: * QG2 THR 121 + H ALA 122 OK 65 100 - 65 - 4.2=38, 2.1/5928=15...(6) HB2 LEU 27 + H ALA 122 OK 12 83 - 15 - 1.8/8096=3, 5303/3.6=3...(5) HB2 LEU 111 + H ALA 122 OK 12 95 - 13 - 3.8/624=3, 4997/4.6=3...(4) HB3 LEU 93 - H ALA 122 lone 9 99 - 9 - 5303/3.6=2, 1399/4.6=1...(4) HB VAL 110 - H ALA 122 lone 8 89 - 9 - 4.4/624=3, 5877/4.6=2 HG2 LYS 31 - H ALA 122 lone 6 99 - 6 - 4.0/1803=1 HG LEU 59 - H ALA 122 lone 6 71 - 8 - 5.1/1804=2 HB3 LEU 59 - H ALA 122 lone 6 60 - 10 - 3.7/1804=3, 4.8/1806=2 Peak 628 from nnoeabs.peaks (7.65, 8.16, 117.45 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.82: * H ALA 122 + H ASP 123 OK 82 100 - 82 - 1525=50, 2.9/5931=27...(8) HD21 ASN 108 - H ASP 123 lone 7 100 - 7 - 5312/3.6=2, 5317/3.6=1 H GLU 56 - H ASP 123 lone 3 57 - 5 - 3.6/1809=1 Peak 629 from nnoeabs.peaks (4.27, 8.16, 117.45 ppm; 3.22 A): 1 out of 12 assignments used, quality = 0.86: * HA ALA 122 + H ASP 123 OK 86 100 - 86 - 3.6=74, 2.1/5931=29...(4) HA LYS 65 - H ASP 123 lone 5 83 - 6 - 8111/4.6=2, 3.0/8100=2 HA GLN 103 - H ASP 123 lone 4 100 - 3 - HA3 GLY 48 - H ASP 123 lone 3 73 - 4 - 8111/4.6=2, 3.0/1526=1 HA LEU 58 - H ASP 123 lone 2 87 - 3 - 1401/4.6=1 HB THR 19 - H ASP 123 lone 2 76 - 2 - HA LEU 114 - H ASP 123 lone 1 73 - 2 - HA ALA 89 - H ASP 123 lone 1 60 - 2 - HB3 SER 113 - H ASP 123 lone 1 63 - 2 - 3.0/1807=1 HA GLU 94 - H ASP 123 lone 1 100 - 1 - HA GLU 64 - H ASP 123 lone 1 96 - 1 - HB2 SER 78 - H ASP 123 lone 0 60 - 0 - Peak 630 from nnoeabs.peaks (1.41, 8.16, 117.45 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.86: * QB ALA 122 + H ASP 123 OK 84 100 - 84 - 3.6=69, 2.1/5930=27...(6) HB2 LEU 27 + H ASP 123 OK 11 90 - 12 - 3.1/8099=3, 3.1/8099=2...(5) QB ALA 98 - H ASP 123 lone 4 97 - 4 - 5931=1 HG LEU 59 - H ASP 123 lone 4 97 - 4 - HB2 LEU 111 - H ASP 123 lone 4 76 - 5 - HB VAL 110 - H ASP 123 lone 3 85 - 3 - HB3 LEU 91 - H ASP 123 lone 3 90 - 3 - 8365/8042=2 QB ALA 89 - H ASP 123 lone 2 65 - 4 - 5931=1 HB2 LEU 51 - H ASP 123 lone 2 99 - 2 - HB3 LEU 101 - H ASP 123 lone 1 68 - 2 - Peak 633 from nnoeabs.peaks (8.16, 7.78, 118.86 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.72: * H ASP 123 + H ILE 124 OK 72 100 - 72 - 1526=38, 3.0/634=23...(8) Peak 634 from nnoeabs.peaks (4.63, 7.78, 118.86 ppm; 3.13 A): 1 out of 3 assignments used, quality = 0.85: * HA ASP 123 + H ILE 124 OK 85 100 - 85 - 3.6=67, 3.0/633=25...(7) HA ASN 106 - H ILE 124 lone 4 89 - 4 - HA HIS 10 - H ILE 124 lone 2 100 - 2 - Peak 635 from nnoeabs.peaks (2.75, 7.78, 118.86 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.94: * HB2 ASP 123 + H ILE 124 OK 94 100 - 94 - 4.2=80, 3.0/634=33...(5) HB3 ASN 108 - H ILE 124 lone 5 60 - 8 - 8122/3.0=2, 3.0/1410=1 Peak 636 from nnoeabs.peaks (2.66, 7.78, 118.86 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.94: * HB3 ASP 123 + H ILE 124 OK 92 100 - 92 - 4.2=74, 1.8/635=34...(6) HE2 LYS 46 + H ILE 124 OK 22 99 - 22 - 4.7/6855=3, 3.0/1413=3...(10) HG2 GLN 103 - H ILE 124 lone 7 83 - 8 - 4.0/8111=1, 3.0/1411=1 Peak 637 from nnoeabs.peaks (7.78, 8.32, 111.80 ppm; 3.25 A): 3 out of 8 assignments used, quality = 0.77: * H ILE 124 + H GLY 125 OK 68 100 - 68 - 4.7=34, 3.0/5935=16...(10) H ILE 124 + H SER 74 OK 15 69 - 22 - 1527=7, 3.0/5935=3...(9) H LEU 45 + H GLY 125 OK 14 100 - 14 - 6837/4.4=4, 5341/4.5=4 H GLY 48 - H GLY 125 poor 10 95 - 10 - 5334/3.6=3, 5348/4.4=3 HD21 ASN 106 - H GLY 125 lone 2 63 - 3 - H LEU 45 - H SER 74 lone 1 68 - 2 - H GLY 48 - H SER 74 lone 1 60 - 2 - HD21 ASN 106 - H SER 74 lone 0 36 - 1 - Peak 638 from nnoeabs.peaks (4.14, 8.32, 111.80 ppm; 3.03 A): 3 out of 28 assignments used, quality = 0.83: * HA ILE 124 + H GLY 125 OK 78 100 - 78 - 3.6=61, 3.0/637=14...(10) HA ILE 124 + H SER 74 OK 14 69 - 20 - 5935=5, 3.0/1527=3...(7) HB3 SER 72 + H SER 74 OK 14 69 - 20 - 7281=6, 4.5/346=4...(9) HA ILE 63 - H GLY 125 lone 9 100 - 9 - 3.0/288=2, 3504/4.4=2 HB2 SER 113 - H GLY 125 lone 8 96 - 8 - 7931/4.4=3, 5342/4.5=2 HA PHE 83 - H GLY 125 lone 6 99 - 6 - 6148=2, 8355/4.4=1 HB3 SER 78 - H GLY 125 lone 4 93 - 4 - HA PRO 37 - H SER 74 lone 3 69 - 5 - 7307/4.7=1 HA ALA 98 - H GLY 125 lone 3 100 - 3 - HB3 SER 72 - H GLY 125 lone 3 100 - 3 - HA SER 78 - H SER 74 lone 3 38 - 8 - ~6091=3, ~1658=3, 5935=1 HA ASN 108 - H GLY 125 lone 3 100 - 3 - HA SER 78 - H GLY 125 lone 3 65 - 4 - HA ILE 63 - H SER 74 lone 3 68 - 4 - 3.0/288=1 HA PRO 37 - H GLY 125 lone 2 100 - 2 - HB2 SER 113 - H SER 74 lone 2 62 - 3 - 4.0/1647=1 HA ARG 57 - H GLY 125 lone 2 65 - 3 - HB3 SER 78 - H SER 74 lone 2 59 - 3 - 7307/4.7=2 HA3 GLY 25 - H GLY 125 lone 1 65 - 2 - HA GLU 28 - H SER 74 lone 1 55 - 2 - HA GLU 56 - H GLY 125 lone 1 63 - 2 - HA ARG 57 - H SER 74 lone 1 38 - 3 - HA GLU 28 - H GLY 125 lone 1 89 - 1 - HA PHE 83 - H SER 74 lone 1 66 - 2 - HA ALA 98 - H SER 74 lone 1 68 - 2 - HA ASN 108 - H SER 74 lone 1 69 - 1 - HA GLU 56 - H SER 74 lone 1 36 - 1 - HA3 GLY 25 - H SER 74 lone 0 38 - 1 - Peak 639 from nnoeabs.peaks (1.98, 8.32, 111.80 ppm; 3.79 A): 5 out of 28 assignments used, quality = 0.92: * HB ILE 124 + H GLY 125 OK 85 100 - 85 - 4.5=59, 3.0/5935=20...(10) HB ILE 124 + H SER 74 OK 20 69 - 29 - 5936=6, 2.1/5937=5...(9) HB2 LEU 41 + H GLY 125 OK 17 100 - 17 - 5336/3.6=3, 5350/4.4=3...(6) HG LEU 45 + H GLY 125 OK 15 97 - 16 - 2898/4.7=5, 8270/4.4=4...(4) HB2 LYS 46 + H GLY 125 OK 11 92 - 12 - 6855/4.7=3, 5336/3.6=2...(4) HB2 LEU 55 - H GLY 125 lone 8 87 - 9 - 8128/4.6=3, 3.1/640=1 HB3 PRO 68 - H GLY 125 lone 6 100 - 6 - 8128/4.6=1, 5350/4.4=1 HG2 PRO 68 - H GLY 125 lone 5 100 - 5 - 5350/4.4=1 HB2 LEU 41 - H SER 74 lone 4 69 - 6 - 6006/3.6=1 HG LEU 114 - H GLY 125 lone 4 100 - 4 - 8128/4.6=1 HG2 PRO 60 - H GLY 125 lone 4 97 - 4 - HB3 GLN 103 - H GLY 125 lone 4 100 - 4 - HB2 ARG 71 - H SER 74 lone 3 65 - 5 - 4.3/1477=2, 5702/4.7=2 HB2 LEU 55 - H SER 74 lone 3 53 - 5 - ~6089=2 HB2 MET 11 - H GLY 125 lone 3 100 - 3 - HB2 GLU 94 - H GLY 125 lone 2 92 - 2 - HB2 ARG 71 - H GLY 125 lone 2 98 - 2 - HG LEU 45 - H SER 74 lone 2 63 - 2 - HB2 LYS 46 - H SER 74 lone 1 58 - 2 - HB3 PRO 68 - H SER 74 lone 1 69 - 2 - HG LEU 114 - H SER 74 lone 1 68 - 2 - HG2 PRO 60 - H SER 74 lone 1 64 - 2 - HG2 PRO 68 - H SER 74 lone 1 68 - 2 - HB3 GLU 94 - H GLY 125 lone 1 60 - 2 - HB2 MET 11 - H SER 74 lone 1 68 - 1 - HB3 GLN 103 - H SER 74 lone 1 69 - 1 - HB2 GLU 94 - H SER 74 lone 0 58 - 1 - HB3 GLU 94 - H SER 74 lone 0 34 - 1 - Peak 640 from nnoeabs.peaks (0.96, 8.32, 111.80 ppm; 3.74 A): 5 out of 18 assignments used, quality = 0.92: * QG2 ILE 124 + H GLY 125 OK 86 100 - 86 - 4.4=63, 3.2/5935=19...(9) QG2 ILE 124 + H SER 74 OK 20 69 - 29 - 5937=7, 2.1/5936=4...(9) HG2 LYS 65 + H GLY 125 OK 12 76 - 16 - 3.0/641=3, 3.0/641=3...(5) HG3 LYS 65 + H GLY 125 OK 12 76 - 16 - 3.0/641=3, 3.0/641=3...(5) QD1 ILE 63 + H GLY 125 OK 11 89 - 13 - 3534/3.6=3, 5.0/288=2...(5) QD1 LEU 41 - H GLY 125 poor 10 68 - 14 - 5344/4.5=3, 2.1/643=3...(5) QD1 LEU 55 - H GLY 125 lone 7 76 - 8 - 7019/4.6=1, 3.1/639=1 QD1 LEU 101 - H GLY 125 lone 5 63 - 8 - 7725/4.7=3, 5337/3.6=1 QG2 THR 95 - H GLY 125 lone 3 89 - 3 - QD1 ILE 63 - H SER 74 lone 3 55 - 5 - QG1 VAL 18 - H GLY 125 lone 2 65 - 3 - QD1 LEU 55 - H SER 74 lone 2 45 - 4 - ~6089=1 QD1 LEU 41 - H SER 74 lone 1 39 - 4 - HG3 LYS 65 - H SER 74 lone 1 45 - 2 - HG2 LYS 65 - H SER 74 lone 1 45 - 2 - QG2 THR 95 - H SER 74 lone 1 55 - 2 - QG1 VAL 18 - H SER 74 lone 1 38 - 2 - QD1 LEU 101 - H SER 74 lone 1 36 - 1 - Peak 641 from nnoeabs.peaks (1.55, 8.32, 111.80 ppm; 4.50 A): 4 out of 16 assignments used, quality = 0.91: * HG12 ILE 124 + H GLY 125 OK 77 100 - 77 - 4.0/5935=21, 5938=19...(9) HB2 LYS 65 + H GLY 125 OK 27 99 - 27 - 5338/3.6=6, 5345/4.5=6...(7) HB3 LYS 65 + H GLY 125 OK 27 99 - 27 - 5338/3.6=6, 5345/4.5=6...(7) HG12 ILE 124 + H SER 74 OK 25 69 - 37 - 5938=7, 1.8/5939=6...(9) HD3 LYS 46 - H GLY 125 poor 10 73 - 13 - 1413/4.7=3, 5338/3.6=2...(5) HG3 LYS 109 - H GLY 125 lone 7 100 - 7 - 1413/4.7=2, 5338/3.6=1...(4) HG2 ARG 57 - H GLY 125 lone 5 63 - 8 - 5938=1 HB2 LYS 65 - H SER 74 lone 3 66 - 4 - HB3 LYS 65 - H SER 74 lone 3 66 - 4 - HG3 ARG 81 - H GLY 125 lone 3 63 - 4 - HG2 ARG 81 - H GLY 125 lone 3 63 - 4 - HG3 LYS 109 - H SER 74 lone 2 68 - 3 - HG2 ARG 81 - H SER 74 lone 2 36 - 5 - 2.9/5713=2, 4117/4.2=1 HG3 ARG 81 - H SER 74 lone 2 36 - 5 - 2.9/5713=2, 4117/4.2=1 HG2 ARG 57 - H SER 74 lone 2 36 - 4 - ~7302=1 HD3 LYS 46 - H SER 74 lone 1 43 - 3 - Peak 642 from nnoeabs.peaks (1.24, 8.32, 111.80 ppm; 4.57 A): 4 out of 18 assignments used, quality = 0.93: * HG13 ILE 124 + H GLY 125 OK 78 100 - 78 - 4.0/5935=21, 3.2/5937=19...(9) HG LEU 77 + H SER 74 OK 42 67 - 63 - 8510/2.9=15, ~7298=12...(10) HG13 ILE 124 + H SER 74 OK 27 69 - 39 - 5939=7, 8510/2.9=6...(9) HG LEU 77 + H GLY 125 OK 21 99 - 21 - 8511/3.0=4, 8511/3.0=4...(10) HG3 LYS 32 - H GLY 125 poor 9 81 - 12 - 5346/4.5=3, 5353/4.4=3...(4) QD1 ILE 80 - H GLY 125 poor 9 60 - 15 - 7395/4.7=3, 5346/4.5=2...(5) QG2 ILE 80 - H GLY 125 poor 9 63 - 14 - 7410/3.6=3, 1414/4.7=2...(5) HB3 LEU 111 - H GLY 125 poor 8 68 - 12 - 5339/3.6=2, 5353/4.4=2...(4) HG2 LYS 32 - H GLY 125 poor 8 73 - 11 - 5346/4.5=2, 5353/4.4=2...(4) HG3 LYS 32 - H SER 74 poor 8 48 - 16 - 8510/2.9=3, ~6087=3...(5) HG2 LYS 32 - H SER 74 poor 6 43 - 13 - 8510/2.9=3, ~7302=3...(4) QG2 THR 19 - H GLY 125 lone 6 87 - 6 - 6375/4.4=2 HB3 LEU 24 - H GLY 125 lone 5 81 - 6 - 5346/4.5=1 QG2 ILE 80 - H SER 74 poor 5 36 - 13 - 7438/4.2=3, 2.1/349=2...(5) HB3 LEU 24 - H SER 74 lone 4 48 - 8 - 8510/2.9=2, 7290/4.9=2...(4) QD1 ILE 80 - H SER 74 poor 4 34 - 12 - 7438/4.2=3, 2.1/5712=2...(4) HB3 LEU 111 - H SER 74 lone 2 39 - 5 - 8510/2.9=1 QG2 THR 19 - H SER 74 lone 2 53 - 3 - Peak 643 from nnoeabs.peaks (0.89, 8.32, 111.80 ppm; 4.86 A): 4 out of 16 assignments used, quality = 0.94: * QD1 ILE 124 + H GLY 125 OK 82 100 - 82 - 4.2/5935=22, 5940=21...(10) QD2 LEU 41 + H GLY 125 OK 32 100 - 33 - 5347/4.5=7, 5340/3.6=6...(9) QD2 LEU 126 + H GLY 125 OK 30 92 - 32 - 4.7/644=25, 5347/4.5=2...(6) QD1 ILE 124 + H SER 74 OK 28 69 - 40 - 5940=8, 2.1/5939=7...(9) QD1 LEU 126 - H GLY 125 OK 25 81 - 32 - 4.7/644=25, 5347/4.5=2...(6) QD2 LEU 59 - H GLY 125 OK 17 100 - 17 - 5340/3.6=3, 7082/4.6=3...(5) HG13 ILE 80 - H GLY 125 OK 17 87 - 19 - 5340/3.6=4, 1415/4.7=4...(6) QG1 VAL 49 - H GLY 125 OK 10 100 - 10 - 1425/4.6=3, 1415/4.7=1...(5) HG13 ILE 80 - H SER 74 poor 7 53 - 13 - 4094/4.2=3, 1.8/5712=3...(4) QD2 LEU 41 - H SER 74 lone 6 69 - 9 - 2809/4.9=1, 2809/4.9=1 QG1 VAL 49 - H SER 74 lone 5 67 - 8 - 3039/4.2=2, 6903/4.9=1 QD1 LEU 117 - H GLY 125 lone 4 78 - 5 - 1424/4.6=1 QD2 LEU 59 - H SER 74 lone 3 67 - 5 - QD2 LEU 126 - H SER 74 lone 2 58 - 4 - 4.7/644=2 QD1 LEU 117 - H SER 74 lone 2 47 - 4 - QD1 LEU 126 - H SER 74 lone 2 48 - 3 - 4.7/644=2 Peak 644 from nnoeabs.peaks (8.32, 7.72, 127.22 ppm; 3.12 A): 1 out of 5 assignments used, quality = 0.50: * H GLY 125 + H LEU 126 OK 50 100 - 50 - 1528=32, 3.0/645=12...(4) H THR 62 - H LEU 126 lone 6 100 - 6 - H CYS 87 - H LEU 126 lone 5 85 - 5 - 3.0/6165=1 H ILE 22 - H LEU 126 lone 4 78 - 5 - 3.0/1420=2 H SER 74 - H LEU 126 lone 3 78 - 4 - 1528=2 Peak 645 from nnoeabs.peaks (3.95, 7.72, 127.22 ppm; 3.06 A): 2 out of 6 assignments used, quality = 0.93: * HA2 GLY 125 + H LEU 126 OK 74 100 - 74 - 3.6=63, 3.0/644=17, 1.8/5941=13 HA3 GLY 125 + H LEU 126 OK 74 100 - 74 - 3.6=63, 3.0/644=17, 1.8/5941=13 HA SER 74 - H LEU 126 lone 2 100 - 2 - 2.9/644=1 HA2 GLY 25 - H LEU 126 lone 1 87 - 1 - HA ARG 85 - H LEU 126 lone 1 81 - 1 - HA THR 23 - H LEU 126 lone 1 87 - 1 - Peak 646 from nnoeabs.peaks (3.95, 7.72, 127.22 ppm; 3.06 A): 2 out of 6 assignments used, quality = 0.93: HA2 GLY 125 + H LEU 126 OK 74 100 - 74 - 3.6=63, 3.0/644=17, 1.8/5941=13 * HA3 GLY 125 + H LEU 126 OK 74 100 - 74 - 3.6=63, 3.0/644=17, 1.8/5941=13 HA SER 74 - H LEU 126 lone 2 100 - 2 - 2.9/644=1 HA2 GLY 25 - H LEU 126 lone 1 87 - 1 - HA ARG 85 - H LEU 126 lone 1 81 - 1 - HA THR 23 - H LEU 126 lone 1 87 - 1 - Peak 648 from nnoeabs.peaks (4.75, 7.62, 112.64 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.96: * HA ASN 12 + HD21 ASN 12 OK 96 100 - 96 - 4.5=94, 654/1.7=39 HA SER 72 - HD21 ASN 12 lone 2 60 - 4 - Peak 649 from nnoeabs.peaks (2.98, 7.62, 112.64 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 12 + HD21 ASN 12 OK 100 100 - 100 - 3.5=100 HA VAL 110 - HD21 ASN 12 OK 23 100 - 23 - 655/1.7=6, 1882/3.5=3...(12) HB3 TYR 102 - HD21 ASN 12 OK 11 93 - 12 - 655/1.7=4, 1882/3.5=2...(5) HE2 LYS 31 - HD21 ASN 12 lone 9 95 - 9 - 655/1.7=2, ~655=1...(4) HE3 LYS 31 - HD21 ASN 12 lone 9 95 - 9 - 655/1.7=2, ~655=1...(4) Peak 650 from nnoeabs.peaks (2.88, 7.62, 112.64 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 12 + HD21 ASN 12 OK 100 100 - 100 - 3.5=100 HB2 ASP 100 - HD21 ASN 12 OK 18 97 - 18 - 656/1.7=5, 1877/3.5=3...(8) HE2 LYS 119 - HD21 ASN 12 OK 13 81 - 16 - 656/1.7=2, ~656=1...(10) HE3 LYS 119 - HD21 ASN 12 OK 13 78 - 16 - 656/1.7=2, ~656=1...(9) HB2 PHE 40 - HD21 ASN 12 OK 11 97 - 11 - 656/1.7=3, 1877/3.5=2...(5) HB2 ASN 106 - HD21 ASN 12 poor 9 87 - 10 - 4813/1.7=3, ~4819=2, 1877/3.5=1 Peak 651 from nnoeabs.peaks (7.62, 7.62, 112.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 12 + HD21 ASN 12 OK 100 100 - 100 Peak 652 from nnoeabs.peaks (6.96, 7.62, 112.64 ppm; 2.46 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 12 + HD21 ASN 12 OK 100 100 - 100 - 1.7=100 H LEU 101 - HD21 ASN 12 lone 5 95 - 5 - 1885/3.5=2, 1879/3.5=1 HD22 ASN 106 - HD21 ASN 12 lone 2 87 - 2 - HD22 ASN 108 - HD21 ASN 12 lone 1 90 - 1 - QE PHE 107 - HD21 ASN 12 lone 1 57 - 1 - Peak 654 from nnoeabs.peaks (4.75, 6.96, 112.64 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.93: * HA ASN 12 + HD22 ASN 12 OK 93 100 - 93 - 4.5=89, 648/1.7=37 HA SER 72 - HD22 ASN 12 lone 2 60 - 3 - Peak 655 from nnoeabs.peaks (2.98, 6.96, 112.64 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 12 + HD22 ASN 12 OK 100 100 - 100 - 3.5=100 HA VAL 110 - HD22 ASN 12 OK 28 100 - 28 - 649/1.7=6, 1882/3.5=4...(12) HB3 TYR 102 - HD22 ASN 12 OK 18 93 - 19 - 4.0/499=4, 649/1.7=3...(8) HE2 LYS 31 - HD22 ASN 12 poor 10 95 - 10 - 649/1.7=2, ~649=2...(4) HE3 LYS 31 - HD22 ASN 12 poor 10 95 - 10 - 649/1.7=2, ~649=2...(4) Peak 656 from nnoeabs.peaks (2.88, 6.96, 112.64 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 12 + HD22 ASN 12 OK 100 100 - 100 - 3.5=100 HB2 ASP 100 - HD22 ASN 12 OK 24 97 - 24 - 650/1.7=4, 1.8/5831=3...(10) HB2 PHE 40 - HD22 ASN 12 OK 14 97 - 15 - 650/1.7=3, 1877/3.5=2...(6) HB2 ASN 106 - HD22 ASN 12 OK 13 87 - 14 - 4813=3, 650/1.7=2...(6) HE2 LYS 119 - HD22 ASN 12 OK 10 81 - 12 - 650/1.7=3, ~650=2...(6) HE3 LYS 119 - HD22 ASN 12 poor 10 78 - 12 - 650/1.7=3, ~650=2...(6) Peak 657 from nnoeabs.peaks (7.62, 6.96, 112.64 ppm; 2.44 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 12 + HD22 ASN 12 OK 100 100 - 100 - 1.7=100 H GLU 56 - HD22 ASN 12 lone 3 100 - 3 - 4.9/6286=1 H LYS 119 - HD22 ASN 12 lone 2 83 - 2 - H ARG 57 - HD22 ASN 12 lone 1 76 - 2 - Peak 658 from nnoeabs.peaks (6.96, 6.96, 112.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 12 + HD22 ASN 12 OK 100 100 - 100 Peak 659 from nnoeabs.peaks (7.84, 7.41, 108.67 ppm; 5.32 A): 1 out of 6 assignments used, quality = 0.96: * H ASN 79 + HD21 ASN 79 OK 96 100 - 96 - 5.6=86, 1152/3.5=23...(10) HD21 ASN 99 - HD21 ASN 79 OK 37 97 - 38 - 4056/3.5=8, 672/4.4=8...(9) H PHE 83 - HD21 ASN 79 OK 36 99 - 37 - 7470/3.5=10, 6124/4.4=10...(7) H GLY 25 - HD21 ASN 79 poor 10 81 - 12 - 83/1.7=2, 4056/3.5=2...(4) H GLY 88 - HD21 ASN 79 lone 6 78 - 8 - 8380/5814=1, 6124/4.4=1 HD21 ASN 106 - HD21 ASN 79 lone 2 63 - 4 - Peak 661 from nnoeabs.peaks (2.84, 7.41, 108.67 ppm; 4.06 A): 3 out of 10 assignments used, quality = 1.00: * HB2 ASN 79 + HD21 ASN 79 OK 100 100 - 100 - 3.5=100 HB3 TYR 67 + HD21 ASN 79 OK 67 100 - 67 - 3.8/8141=21, ~4816=7...(26) HB2 TYR 67 + HD21 ASN 79 OK 67 100 - 67 - 3.8/8141=21, ~4816=7...(26) HB2 ASN 99 - HD21 ASN 79 OK 32 100 - 32 - 4621/4.4=4, 4058/3.5=4...(14) HB2 CYS 76 - HD21 ASN 79 OK 29 73 - 39 - 3.0/7330=10, 4.0/356=5...(14) HB3 PHE 107 - HD21 ASN 79 OK 14 100 - 14 - ~8146=2, 667/1.7=1...(4) HG CYS 52 - HD21 ASN 79 OK 11 98 - 11 - 4.6/7387=2, 667/1.7=1, ~6954=1 HB2 ASP 36 - HD21 ASN 79 lone 10 100 - 10 - ~8490=4, 667/1.7=1 HE3 LYS 119 - HD21 ASN 79 lone 4 85 - 5 - HE2 LYS 119 - HD21 ASN 79 lone 4 83 - 5 - Peak 662 from nnoeabs.peaks (3.88, 7.41, 108.67 ppm; 4.56 A): 2 out of 14 assignments used, quality = 1.00: * HB3 ASN 79 + HD21 ASN 79 OK 100 100 - 100 - 3.5=100 HB THR 95 + HD21 ASN 79 OK 57 99 - 58 - 5813=13, 2.1/5814=12...(13) HD2 PRO 68 - HD21 ASN 79 OK 23 60 - 39 - 4.8/8141=22, 4.8/661=5...(8) HA ARG 53 - HD21 ASN 79 OK 21 100 - 21 - 6064/1.7=6, ~1622=5...(5) HA THR 33 - HD21 ASN 79 OK 20 76 - 27 - 2.9/128=8, 2575/1.7=4...(8) HB THR 33 - HD21 ASN 79 OK 18 78 - 23 - 4.0/128=6, 2579/1.7=4...(6) HB3 SER 112 - HD21 ASN 79 lone 9 99 - 9 - 4047/4.4=1 HB2 SER 112 - HD21 ASN 79 lone 9 98 - 9 - HA ILE 34 - HD21 ASN 79 lone 7 83 - 9 - ~138=2, ~6621=1 HB2 SER 13 - HD21 ASN 79 lone 7 95 - 7 - HA3 GLY 104 - HD21 ASN 79 lone 6 63 - 10 - 3.6/664=3, ~1507=1...(4) HB2 SER 35 - HD21 ASN 79 lone 4 65 - 6 - HA2 GLY 2 - HD21 ASN 79 lone 2 83 - 3 - HA3 GLY 2 - HD21 ASN 79 lone 2 83 - 3 - Peak 663 from nnoeabs.peaks (7.41, 7.41, 108.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 79 + HD21 ASN 79 OK 100 100 - 100 Peak 664 from nnoeabs.peaks (8.11, 7.41, 108.67 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 79 + HD21 ASN 79 OK 100 100 - 100 - 1.7=100 H THR 33 - HD21 ASN 79 OK 30 99 - 30 - 128=6, 3.6/2485=5...(11) H GLY 39 - HD21 ASN 79 OK 26 97 - 27 - 669=4, ~2729=2...(11) H GLN 105 - HD21 ASN 79 OK 15 85 - 18 - ~8143=3, ~4762=2...(7) H LEU 55 - HD21 ASN 79 OK 12 93 - 13 - ~3219=2, 4.6/6912=2...(4) H LEU 24 - HD21 ASN 79 lone 6 85 - 7 - 1439/5.6=1 Peak 666 from nnoeabs.peaks (4.55, 8.11, 108.67 ppm; 4.72 A): 2 out of 12 assignments used, quality = 1.00: * HA ASN 79 + HD22 ASN 79 OK 100 100 - 100 - 4.4=100 HA THR 95 + HD22 ASN 79 OK 57 100 - 57 - 7616/1.7=12, 4544/3.5=9...(15) HA GLU 82 - HD22 ASN 79 OK 28 100 - 28 - 5752/5.6=6, 4057/3.5=6...(9) HA ASN 99 - HD22 ASN 79 OK 24 97 - 25 - 4616/3.5=5, 4057/3.5=4...(8) HA ASN 79 - H GLY 39 OK 21 63 - 34 - 4049=7, 3.0/1154=7...(8) HA LEU 27 - HD22 ASN 79 OK 12 97 - 12 - 4.0/7383=2, 1150/5.6=1...(4) HA LEU 27 - H GLY 39 poor 6 57 - 11 - 5499/4.6=2, 3.6/1448=2...(5) HA GLU 82 - H GLY 39 lone 5 63 - 8 - 6141/4.4=1 HA ASN 99 - H GLY 39 lone 4 58 - 7 - 6179/4.6=2, 6184/7765=1 HB THR 121 - HD22 ASN 79 lone 3 93 - 4 - HA THR 95 - H GLY 39 lone 3 63 - 5 - HB THR 121 - H GLY 39 lone 1 54 - 2 - Peak 667 from nnoeabs.peaks (2.84, 8.11, 108.67 ppm; 3.99 A): 3 out of 20 assignments used, quality = 1.00: * HB2 ASN 79 + HD22 ASN 79 OK 100 100 - 100 - 3.5=100 HB3 TYR 67 + HD22 ASN 79 OK 64 100 - 64 - 3.8/8142=17, 2.6/4816=10...(25) HB2 TYR 67 + HD22 ASN 79 OK 64 100 - 64 - 3.8/8142=17, 2.6/4816=10...(25) HB2 ASN 99 - HD22 ASN 79 OK 29 100 - 29 - 4621/4.4=4, 4058/3.5=4...(13) HB2 CYS 76 - HD22 ASN 79 OK 24 73 - 33 - ~7330=6, 3.0/8143=6...(12) HB2 ASN 79 - H GLY 39 OK 20 63 - 31 - 3.9/1154=4, 3.5/664=4...(11) HB3 PHE 107 - HD22 ASN 79 OK 15 100 - 15 - 2.4/8146=2, 661/1.7=2...(4) HG CYS 52 - HD22 ASN 79 OK 14 98 - 14 - 4.6/6058=4, 6897/6911=1 HB2 TYR 67 - H GLY 39 OK 13 62 - 20 - 2.6/4816=6, 3.8/8142=3...(6) HB3 TYR 67 - H GLY 39 OK 13 62 - 20 - 2.6/4816=6, 3.8/8142=3...(6) HB2 ASP 36 - HD22 ASN 79 OK 11 100 - 10 - 1.8/8490=4, 661/1.7=1 HB2 ASP 36 - H GLY 39 OK 10 63 - 16 - 1.8/8490=7, 6660/4.6=5...(4) HB2 CYS 76 - H GLY 39 poor 5 39 - 12 - 6081/3.6=2, 5725/4.6=2...(6) HE3 LYS 119 - HD22 ASN 79 lone 4 85 - 5 - HE2 LYS 119 - HD22 ASN 79 lone 4 83 - 5 - HB3 PHE 107 - H GLY 39 lone 3 63 - 5 - 2.4/8146=2 HG CYS 52 - H GLY 39 lone 2 59 - 4 - 4.6/6058=1 HB2 ASN 99 - H GLY 39 lone 2 63 - 3 - HE3 LYS 119 - H GLY 39 lone 1 47 - 3 - HE2 LYS 119 - H GLY 39 lone 1 45 - 2 - Peak 668 from nnoeabs.peaks (3.88, 8.11, 108.67 ppm; 4.55 A): 2 out of 28 assignments used, quality = 1.00: * HB3 ASN 79 + HD22 ASN 79 OK 100 100 - 100 - 3.5=100 HB THR 95 + HD22 ASN 79 OK 51 99 - 51 - 5813/1.7=14, ~5814=9...(12) HA ARG 53 - HD22 ASN 79 OK 30 100 - 30 - 3.6/1463=6, 3.0/1622=6...(8) HA THR 33 - HD22 ASN 79 OK 26 76 - 34 - ~128=6, ~664=5...(11) HB3 ASN 79 - H GLY 39 OK 24 63 - 37 - 4061=6, 3.9/1154=6...(13) HD2 PRO 68 - HD22 ASN 79 OK 22 60 - 37 - 4.8/8142=18, 4.8/667=4...(9) HB THR 33 - HD22 ASN 79 OK 18 78 - 23 - 3.0/2575=4, 2.1/2583=4...(7) HA ARG 53 - H GLY 39 OK 13 62 - 21 - 3.6/1463=3, 3.0/1622=3...(6) HA ILE 34 - HD22 ASN 79 poor 9 83 - 11 - 3.0/138=3, 3.2/6621=2, 662/1.7=1 HB3 SER 112 - HD22 ASN 79 lone 9 99 - 9 - 662/1.7=1, 4047/4.4=1 HB2 SER 112 - HD22 ASN 79 lone 9 98 - 9 - 662/1.7=1 HB2 SER 13 - HD22 ASN 79 lone 8 95 - 8 - HA ILE 34 - H GLY 39 poor 5 45 - 12 - 3.2/6621=6, 3.0/138=2, ~6014=1 HA THR 33 - H GLY 39 poor 5 41 - 12 - 3.6/138=2, 3.0/2579=1...(4) HA3 GLY 104 - HD22 ASN 79 lone 5 63 - 8 - 3.0/1507=2, 1.8/5848=1, 5849=1 HA3 GLY 104 - H GLY 39 poor 4 32 - 14 - 3.0/1507=4, ~6016=3...(4) HB2 SER 35 - HD22 ASN 79 lone 4 65 - 7 - 3.0/8143=1 HB2 SER 13 - H GLY 39 lone 4 55 - 8 - 1893/3.6=1 HD2 PRO 68 - H GLY 39 poor 4 31 - 12 - 4.8/8142=4, 4.8/4055=1 HB THR 33 - H GLY 39 lone 4 42 - 8 - 2.1/2583=2, 4.6/138=2...(4) HB THR 95 - H GLY 39 lone 3 61 - 5 - HA2 GLY 2 - HD22 ASN 79 lone 2 83 - 3 - HA3 GLY 2 - HD22 ASN 79 lone 2 83 - 3 - HB3 SER 112 - H GLY 39 lone 2 61 - 3 - HB2 SER 112 - H GLY 39 lone 2 59 - 3 - HB2 SER 35 - H GLY 39 lone 1 34 - 4 - HA2 GLY 2 - H GLY 39 lone 1 45 - 2 - HA3 GLY 2 - H GLY 39 lone 1 45 - 2 - Peak 669 from nnoeabs.peaks (7.41, 8.11, 108.67 ppm; 3.45 A): 1 out of 12 assignments used, quality = 1.00: * HD21 ASN 79 + HD22 ASN 79 OK 100 100 - 100 - 1.7=100 H LYS 32 - HD22 ASN 79 OK 30 99 - 30 - 2.9/5526=6, 1445=5...(9) H GLU 75 - HD22 ASN 79 OK 25 97 - 26 - 7306/3.5=3, ~3948=3...(11) HD21 ASN 79 - H GLY 39 OK 18 63 - 29 - 664=7, ~2729=2...(12) H PHE 96 - HD22 ASN 79 OK 18 95 - 19 - 473/3.5=4, 3.6/666=3...(5) H GLU 75 - H GLY 39 OK 12 58 - 20 - 1643/3.6=4, 1645/4.6=3...(6) HE21 GLN 105 - HD22 ASN 79 OK 10 81 - 13 - 5.9/8143=2, 4.5/4770=2...(5) H LYS 32 - H GLY 39 poor 7 61 - 11 - 1445=2, 2.9/5526=1...(4) H SER 72 - HD22 ASN 79 lone 7 95 - 7 - HE21 GLN 105 - H GLY 39 lone 2 44 - 5 - H SER 72 - H GLY 39 lone 2 55 - 4 - H PHE 96 - H GLY 39 lone 1 55 - 3 - Peak 670 from nnoeabs.peaks (8.11, 8.11, 108.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 79 + HD22 ASN 79 OK 100 100 - 100 H GLY 39 + H GLY 39 OK 57 57 - 100 Peak 671 from nnoeabs.peaks (8.79, 7.83, 112.68 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.86: * H ASN 99 + HD21 ASN 99 OK 83 100 - 83 - 5.5=49, 4626/3.5=28...(7) H GLU 15 + HD21 ASN 99 OK 19 89 - 21 - 677/1.7=7, 4626/3.5=5...(4) Peak 672 from nnoeabs.peaks (4.56, 7.83, 112.68 ppm; 4.78 A): 2 out of 8 assignments used, quality = 1.00: * HA ASN 99 + HD21 ASN 99 OK 100 100 - 100 - 4.4=100 HA ASN 79 + HD21 ASN 99 OK 57 97 - 59 - 4044=9, 4627/3.5=8...(17) HA LEU 27 - HD21 ASN 99 OK 29 81 - 36 - 3.0/6540=11, 2262/1.7=6...(10) HA GLU 82 - HD21 ASN 99 OK 17 96 - 18 - 5752=3, 678/1.7=2...(6) HA THR 95 - HD21 ASN 99 lone 9 99 - 9 - 678/1.7=1, 4627/3.5=1...(4) HB THR 121 - HD21 ASN 99 lone 5 100 - 5 - 678/1.7=1 HA GLU 69 - HD21 ASN 99 lone 4 78 - 5 - HA ASP 47 - HD21 ASN 99 lone 2 76 - 3 - Peak 673 from nnoeabs.peaks (2.84, 7.83, 112.68 ppm; 3.52 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 99 + HD21 ASN 99 OK 100 100 - 100 - 3.5=100 HB2 ASN 79 - HD21 ASN 99 OK 35 100 - 35 - 679/1.7=5, 4050=5...(14) HB3 PHE 107 - HD21 ASN 99 OK 29 100 - 29 - 4624=5, 679/1.7=5...(14) HB3 TYR 67 - HD21 ASN 99 OK 24 100 - 24 - 4050=4, 679/1.7=3...(10) HB2 TYR 67 - HD21 ASN 99 OK 24 100 - 24 - 4050=4, 679/1.7=3...(10) HB2 CYS 76 - HD21 ASN 99 OK 13 78 - 17 - 7331/4.4=4, 3.0/8338=4...(5) HB2 ASP 36 - HD21 ASN 99 lone 3 100 - 3 - HG CYS 52 - HD21 ASN 99 lone 2 97 - 2 - HE3 LYS 119 - HD21 ASN 99 lone 1 81 - 1 - HE2 LYS 119 - HD21 ASN 99 lone 1 78 - 1 - Peak 674 from nnoeabs.peaks (2.72, 7.83, 112.68 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 99 + HD21 ASN 99 OK 100 100 - 100 - 3.5=100 HB3 ASN 106 - HD21 ASN 99 OK 29 100 - 29 - 4818=6, 680/1.7=6...(10) HB3 ASN 108 - HD21 ASN 99 OK 27 100 - 27 - 680/1.7=6, 4818=5...(10) HE3 LYS 65 - HD21 ASN 99 lone 4 78 - 5 - Peak 675 from nnoeabs.peaks (7.83, 7.83, 112.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 99 + HD21 ASN 99 OK 100 100 - 100 Peak 676 from nnoeabs.peaks (6.76, 7.83, 112.68 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 99 + HD21 ASN 99 OK 100 100 - 100 - 1.7=100 H LEU 27 - HD21 ASN 99 OK 13 100 - 13 - 6540=3, 4.7/90=1...(5) HZ PHE 107 - HD21 ASN 99 lone 8 99 - 8 - 4631/3.5=1, ~4852=1 QE TYR 67 - HD21 ASN 99 lone 5 68 - 7 - 4695/3.5=1 HE21 GLN 42 - HD21 ASN 99 lone 1 100 - 1 - H VAL 110 - HD21 ASN 99 lone 1 65 - 1 - Peak 677 from nnoeabs.peaks (8.79, 6.76, 112.68 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.93: * H ASN 99 + HD22 ASN 99 OK 91 100 - 91 - 5.5=65, 671/1.7=36...(8) H GLU 15 + HD22 ASN 99 OK 22 89 - 25 - 671/1.7=8, 4626/3.5=6...(5) Peak 678 from nnoeabs.peaks (4.56, 6.76, 112.68 ppm; 5.23 A): 2 out of 8 assignments used, quality = 1.00: * HA ASN 99 + HD22 ASN 99 OK 100 100 - 100 - 4.4=100 HA ASN 79 + HD22 ASN 99 OK 55 97 - 57 - 672/1.7=11, 4627/3.5=9...(15) HA LEU 27 - HD22 ASN 99 OK 44 81 - 54 - ~6540=9, 2262=7...(16) HA GLU 82 - HD22 ASN 99 OK 17 96 - 18 - 672/1.7=4, 4627/3.5=3...(6) HA THR 95 - HD22 ASN 99 lone 9 99 - 10 - 672/1.7=2, 4627/3.5=1...(4) HB THR 121 - HD22 ASN 99 lone 7 100 - 7 - HA GLU 69 - HD22 ASN 99 lone 5 78 - 6 - HA ASP 47 - HD22 ASN 99 lone 3 76 - 4 - Peak 679 from nnoeabs.peaks (2.84, 6.76, 112.68 ppm; 3.78 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 99 + HD22 ASN 99 OK 100 100 - 100 - 3.5=100 HB2 ASN 79 - HD22 ASN 99 OK 39 100 - 39 - 673/1.7=6, ~4056=4...(15) HB3 PHE 107 - HD22 ASN 99 OK 35 100 - 35 - 2.4/4620=5, 673/1.7=5...(16) HB3 TYR 67 - HD22 ASN 99 OK 23 100 - 23 - 673/1.7=4, ~673=3...(8) HB2 TYR 67 - HD22 ASN 99 OK 23 100 - 23 - 673/1.7=4, ~673=3...(8) HB2 CYS 76 - HD22 ASN 99 OK 16 78 - 21 - 7331/4.4=5, ~8338=4...(8) HB2 ASP 36 - HD22 ASN 99 lone 4 100 - 4 - HG CYS 52 - HD22 ASN 99 lone 3 97 - 3 - HE3 LYS 119 - HD22 ASN 99 lone 1 81 - 1 - HE2 LYS 119 - HD22 ASN 99 lone 1 78 - 1 - Peak 680 from nnoeabs.peaks (2.72, 6.76, 112.68 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 99 + HD22 ASN 99 OK 100 100 - 100 - 3.5=100 HB3 ASN 108 - HD22 ASN 99 OK 29 100 - 29 - 674/1.7=7, 4617/4.4=5...(10) HB3 ASN 106 - HD22 ASN 99 OK 27 100 - 27 - 674/1.7=8, ~4812=4...(9) HE3 LYS 65 - HD22 ASN 99 lone 4 78 - 5 - Peak 681 from nnoeabs.peaks (7.83, 6.76, 112.68 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 99 + HD22 ASN 99 OK 100 100 - 100 - 1.7=100 H ASN 79 - HD22 ASN 99 OK 12 97 - 12 - 4630/3.5=2, 4624/3.5=2...(7) H GLY 25 - HD22 ASN 99 lone 9 97 - 9 - 6479=2, 3.0/6480=1, 4.6/1441=1 HD21 ASN 106 - HD22 ASN 99 lone 4 89 - 5 - 3.5/680=1, 686/3.5=1 H PHE 83 - HD22 ASN 99 lone 3 85 - 3 - Peak 682 from nnoeabs.peaks (6.76, 6.76, 112.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 99 + HD22 ASN 99 OK 100 100 - 100 Peak 684 from nnoeabs.peaks (4.65, 7.81, 113.69 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 106 + HD21 ASN 106 OK 100 100 - 100 - 4.3=100 HA ASP 123 - HD21 ASN 106 lone 7 89 - 7 - 4809/3.5=2, 4815/3.5=1 HA HIS 10 - HD21 ASN 106 lone 4 83 - 5 - 4809/3.5=2, 4815/3.5=1 HA LEU 59 - HD21 ASN 106 lone 4 73 - 5 - 4809/3.5=2, 4815/3.5=1 Peak 685 from nnoeabs.peaks (2.90, 7.81, 113.69 ppm; 3.66 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 106 + HD21 ASN 106 OK 100 100 - 100 - 3.5=100 HB2 ASP 100 - HD21 ASN 106 OK 17 99 - 18 - 4804/4.3=5, 691/1.7=4...(4) HB3 ASN 12 - HD21 ASN 106 lone 7 87 - 8 - 691/1.7=2, ~1879=1...(4) HB2 PHE 40 - HD21 ASN 106 lone 6 99 - 6 - 691/1.7=2, 4804/4.3=1 HE2 LYS 32 - HD21 ASN 106 lone 3 83 - 4 - HE3 LYS 32 - HD21 ASN 106 lone 3 81 - 4 - HB3 PHE 96 - HD21 ASN 106 lone 3 63 - 5 - 7840/7794=1 Peak 686 from nnoeabs.peaks (2.72, 7.81, 113.69 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.95: * HB3 ASN 106 + HD21 ASN 106 OK 95 100 - 95 - 3.5=94, 3.0/4806=15, 7841/7794=1 HB3 ASN 108 - HD21 ASN 106 OK 26 100 - 26 - 4811/3.5=6, 692/1.7=6...(5) HB3 ASN 99 - HD21 ASN 106 OK 19 100 - 19 - 4630=4, 692/1.7=4...(6) HE3 LYS 65 - HD21 ASN 106 lone 4 81 - 5 - 5.0/7796=1, 5.0/7796=1 Peak 687 from nnoeabs.peaks (7.81, 7.81, 113.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 106 + HD21 ASN 106 OK 100 100 - 100 Peak 688 from nnoeabs.peaks (6.94, 7.81, 113.69 ppm; 2.42 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 106 + HD21 ASN 106 OK 100 100 - 100 - 1.7=100 HD22 ASN 12 - HD21 ASN 106 lone 3 87 - 4 - Peak 691 from nnoeabs.peaks (2.90, 6.94, 113.69 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 106 + HD22 ASN 106 OK 100 100 - 100 - 3.5=100 HB2 ASP 100 - HD22 ASN 106 OK 19 99 - 19 - 4804/4.3=6, 685/1.7=5...(4) HB3 ASN 12 - HD22 ASN 106 lone 9 87 - 10 - 685/1.7=2, 1885=2...(5) HB2 PHE 40 - HD22 ASN 106 lone 6 99 - 6 - 685/1.7=2, 4804/4.3=1 HE2 LYS 32 - HD22 ASN 106 lone 4 83 - 5 - HB3 PHE 96 - HD22 ASN 106 lone 4 63 - 6 - 7840/7798=2, 7842/7800=1 HE3 LYS 32 - HD22 ASN 106 lone 4 81 - 4 - Peak 692 from nnoeabs.peaks (2.72, 6.94, 113.69 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 106 + HD22 ASN 106 OK 100 100 - 100 - 3.5=100 HB3 ASN 108 - HD22 ASN 106 OK 28 100 - 29 - 4819=8, 4811/3.5=7...(6) HB3 ASN 99 - HD22 ASN 106 OK 17 100 - 17 - 686/1.7=5, 4811/3.5=3...(6) HE3 LYS 65 - HD22 ASN 106 lone 5 81 - 6 - 5.0/7800=1, 5.0/7800=1 Peak 693 from nnoeabs.peaks (7.81, 6.94, 113.69 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 106 + HD22 ASN 106 OK 100 100 - 100 - 1.7=100 HD21 ASN 99 - HD22 ASN 106 lone 6 89 - 7 - 674/3.5=1, 4812/3.5=1...(4) H GLY 25 - HD22 ASN 106 lone 1 99 - 1 - H ILE 124 - HD22 ASN 106 lone 1 63 - 2 - H LEU 45 - HD22 ASN 106 lone 1 73 - 1 - H ASN 79 - HD22 ASN 106 lone 0 63 - 1 - Peak 694 from nnoeabs.peaks (6.94, 6.94, 113.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 106 + HD22 ASN 106 OK 100 100 - 100 Peak 695 from nnoeabs.peaks (8.84, 7.65, 113.15 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.90: * H ASN 108 + HD21 ASN 108 OK 88 100 - 88 - 5.7=69, 1318/3.5=37...(5) H ALA 14 + HD21 ASN 108 OK 19 100 - 19 - 4868/3.5=6, ~6316=5...(4) H VAL 50 - HD21 ASN 108 lone 8 99 - 8 - 4868/3.5=2, 4862/4.3=2 Peak 696 from nnoeabs.peaks (4.14, 7.65, 113.15 ppm; 5.10 A): 1 out of 14 assignments used, quality = 1.00: * HA ASN 108 + HD21 ASN 108 OK 100 100 - 100 - 4.3=100 HA ALA 98 - HD21 ASN 108 OK 42 99 - 43 - 4866=10, 4869/3.5=8...(8) HA ILE 124 - HD21 ASN 108 OK 11 100 - 11 - 8122/3.5=3, 4869/3.5=2...(5) HB3 SER 78 - HD21 ASN 108 lone 6 90 - 7 - 4869/3.5=1, 1317/5.7=1 HA PRO 37 - HD21 ASN 108 lone 4 100 - 4 - 4869/3.5=1 HA SER 78 - HD21 ASN 108 lone 4 71 - 6 - 8122/3.5=1 HA ILE 63 - HD21 ASN 108 lone 4 100 - 4 - HB2 SER 113 - HD21 ASN 108 lone 3 97 - 3 - HA GLU 28 - HD21 ASN 108 lone 3 92 - 3 - HA ARG 57 - HD21 ASN 108 lone 3 60 - 5 - HA PHE 83 - HD21 ASN 108 lone 3 100 - 3 - HB3 SER 72 - HD21 ASN 108 lone 2 100 - 2 - HA GLU 56 - HD21 ASN 108 lone 1 68 - 2 - HA3 GLY 25 - HD21 ASN 108 lone 1 60 - 2 - Peak 697 from nnoeabs.peaks (2.79, 7.65, 113.15 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 108 + HD21 ASN 108 OK 100 100 - 100 - 3.5=100 HB2 ASP 97 - HD21 ASN 108 OK 14 100 - 14 - 703/1.7=5, 4876/3.5=2...(6) HB2 CYS 76 - HD21 ASN 108 lone 4 71 - 5 - 703/1.7=1 Peak 698 from nnoeabs.peaks (2.73, 7.65, 113.15 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 108 + HD21 ASN 108 OK 100 100 - 100 - 3.5=100 HB3 ASN 106 - HD21 ASN 108 OK 41 100 - 42 - 4878=10, 704/1.7=9...(9) HB3 ASN 99 - HD21 ASN 108 OK 29 100 - 29 - 704/1.7=8, ~6178=5...(11) HB2 ASP 123 - HD21 ASN 108 lone 3 60 - 5 - 4.0/628=2 HE3 LYS 65 - HD21 ASN 108 lone 2 71 - 3 - Peak 699 from nnoeabs.peaks (7.65, 7.65, 113.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 108 + HD21 ASN 108 OK 100 100 - 100 Peak 700 from nnoeabs.peaks (6.97, 7.65, 113.15 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 108 + HD21 ASN 108 OK 100 100 - 100 - 1.7=100 QE PHE 107 - HD21 ASN 108 lone 7 93 - 8 - ~4860=1, 4873/3.5=1, ~4846=1 H LEU 101 - HD21 ASN 108 lone 5 100 - 5 - 4879/3.5=1, 1729/4.3=1 HD22 ASN 12 - HD21 ASN 108 lone 1 90 - 1 - Peak 703 from nnoeabs.peaks (2.79, 6.97, 113.15 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 108 + HD22 ASN 108 OK 100 100 - 100 - 3.5=100 HB2 ASP 97 - HD22 ASN 108 OK 18 100 - 18 - 697/1.7=5, 4876/3.5=2...(9) HB2 CYS 76 - HD22 ASN 108 lone 5 71 - 7 - 697/1.7=1 Peak 704 from nnoeabs.peaks (2.73, 6.97, 113.15 ppm; 4.25 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ASN 108 + HD22 ASN 108 OK 100 100 - 100 - 3.5=100 HB3 ASN 106 + HD22 ASN 108 OK 45 100 - 45 - 698/1.7=10, 4879=8...(10) HB3 ASN 99 - HD22 ASN 108 OK 41 100 - 41 - 3.0/6178=8, 698/1.7=7...(13) HE3 LYS 65 - HD22 ASN 108 lone 2 71 - 3 - HB2 ASP 123 - HD22 ASN 108 lone 2 60 - 3 - Peak 705 from nnoeabs.peaks (7.65, 6.97, 113.15 ppm; 2.41 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 108 + HD22 ASN 108 OK 100 100 - 100 - 1.7=100 H ALA 122 - HD22 ASN 108 lone 5 100 - 5 - 4872/3.5=1 Peak 706 from nnoeabs.peaks (6.97, 6.97, 113.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 108 + HD22 ASN 108 OK 100 100 - 100 Peak 708 from nnoeabs.peaks (3.55, 5.53, 108.19 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 118 + HD21 ASN 118 OK 100 100 - 100 - 4.4=100 HA LEU 51 - HD21 ASN 118 OK 24 97 - 25 - 3.0/8026=6, 714/1.7=6...(6) HD2 PRO 60 - HD21 ASN 118 OK 21 100 - 21 - 5179/3.5=6, 5185/3.5=6...(4) HB2 ASP 47 - HD21 ASN 118 OK 17 99 - 17 - 6871/3.5=6, 714/1.7=4...(4) Peak 709 from nnoeabs.peaks (0.82, 5.53, 108.19 ppm; 4.21 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASN 118 + HD21 ASN 118 OK 100 100 - 100 - 3.5=100 QD2 LEU 91 - HD21 ASN 118 OK 17 99 - 17 - 3.1/8026=4, 4400/5.6=4...(5) QG1 VAL 115 - HD21 ASN 118 OK 14 99 - 14 - 5186/3.5=5, 5174/4.4=4...(4) QD1 LEU 59 - HD21 ASN 118 poor 9 83 - 11 - 5174/4.4=2, 2.1/8026=2...(5) QD1 LEU 93 - HD21 ASN 118 lone 8 99 - 9 - 1377/5.6=2, 715/1.7=2...(4) HG13 ILE 22 - HD21 ASN 118 lone 8 90 - 9 - 715/1.7=2, 5186/3.5=2...(4) QD1 ILE 22 - HD21 ASN 118 lone 6 81 - 7 - 5186/3.5=1, 715/1.7=1, ~715=1 QD1 LEU 111 - HD21 ASN 118 lone 4 71 - 5 - 5186/3.5=1, 5174/4.4=1 QD2 LEU 55 - HD21 ASN 118 lone 3 68 - 5 - 7020/5.6=1, 5174/4.4=1 Peak 710 from nnoeabs.peaks (2.35, 5.53, 108.19 ppm; 4.43 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASN 118 + HD21 ASN 118 OK 100 100 - 100 - 3.5=100 HG2 PRO 70 - HD21 ASN 118 OK 15 100 - 15 - 5181/3.5=5, 5175/4.4=4...(4) HB2 LEU 54 - HD21 ASN 118 poor 10 78 - 13 - 5175/4.4=4, 5181/3.5=3...(4) HB VAL 18 - HD21 ASN 118 lone 9 100 - 9 - 5181/3.5=3, 716/1.7=2...(4) HB3 GLU 82 - HD21 ASN 118 lone 7 95 - 7 - 716/1.7=2, 5181/3.5=1...(4) HB2 GLU 82 - HD21 ASN 118 lone 7 95 - 7 - 716/1.7=2, 5181/3.5=1...(4) HG2 GLU 15 - HD21 ASN 118 lone 5 92 - 5 - 1378/5.6=1, 716/1.7=1 HB2 GLN 103 - HD21 ASN 118 lone 4 85 - 4 - HG2 MET 11 - HD21 ASN 118 lone 1 71 - 2 - Peak 711 from nnoeabs.peaks (5.53, 5.53, 108.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 118 + HD21 ASN 118 OK 100 100 - 100 Peak 712 from nnoeabs.peaks (6.12, 5.53, 108.19 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 118 + HD21 ASN 118 OK 100 100 - 100 - 1.7=100 Peak 714 from nnoeabs.peaks (3.55, 6.12, 108.19 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 118 + HD22 ASN 118 OK 100 100 - 100 - 4.4=100 HA LEU 51 - HD22 ASN 118 OK 25 97 - 26 - 708/1.7=6, 5185/3.5=6...(7) HD2 PRO 60 - HD22 ASN 118 OK 23 100 - 23 - 5179/3.5=7, 5185/3.5=6...(4) HB2 ASP 47 - HD22 ASN 118 OK 18 99 - 18 - 6871/3.5=6, 708/1.7=4...(5) Peak 715 from nnoeabs.peaks (0.82, 6.12, 108.19 ppm; 4.38 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASN 118 + HD22 ASN 118 OK 100 100 - 100 - 3.5=100 QD2 LEU 91 - HD22 ASN 118 OK 17 99 - 17 - 709/1.7=4, 4400/5.6=4...(5) QG1 VAL 115 - HD22 ASN 118 OK 15 99 - 15 - 5186/3.5=5, 5174/4.4=4...(4) QD1 LEU 59 - HD22 ASN 118 poor 9 83 - 11 - 5174/4.4=3, 709/1.7=2...(5) QD1 LEU 93 - HD22 ASN 118 lone 9 99 - 9 - 1377/5.6=2, 709/1.7=2...(4) HG13 ILE 22 - HD22 ASN 118 lone 8 90 - 9 - 709/1.7=2, 5186/3.5=2...(4) QD1 ILE 22 - HD22 ASN 118 lone 6 81 - 7 - 5186/3.5=1, 709/1.7=1...(4) QD1 LEU 111 - HD22 ASN 118 lone 4 71 - 5 - 5186/3.5=1, 5174/4.4=1 QD2 LEU 55 - HD22 ASN 118 lone 4 68 - 5 - 7020/5.6=1, 5174/4.4=1 Peak 716 from nnoeabs.peaks (2.35, 6.12, 108.19 ppm; 4.70 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASN 118 + HD22 ASN 118 OK 100 100 - 100 - 3.5=100 HG2 PRO 70 - HD22 ASN 118 OK 16 100 - 16 - 5181/3.5=5, 710/1.7=4...(4) HB2 LEU 54 - HD22 ASN 118 OK 11 78 - 14 - 5175/4.4=4, 5181/3.5=4...(4) HB VAL 18 - HD22 ASN 118 OK 10 100 - 10 - 5181/3.5=3, 710/1.7=3...(4) HB3 GLU 82 - HD22 ASN 118 lone 7 95 - 8 - 710/1.7=2, 5181/3.5=1...(4) HB2 GLU 82 - HD22 ASN 118 lone 7 95 - 8 - 710/1.7=2, 5181/3.5=1...(4) HG2 GLU 15 - HD22 ASN 118 lone 5 92 - 6 - 1378/5.6=1, 710/1.7=1...(4) HB2 GLN 103 - HD22 ASN 118 lone 4 85 - 5 - 5175/4.4=1, 5181/3.5=1 HG2 MET 11 - HD22 ASN 118 lone 2 71 - 2 - Peak 717 from nnoeabs.peaks (5.53, 6.12, 108.19 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 118 + HD22 ASN 118 OK 100 100 - 100 - 1.7=100 Peak 718 from nnoeabs.peaks (6.12, 6.12, 108.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 118 + HD22 ASN 118 OK 100 100 - 100 Peak 721 from nnoeabs.peaks (2.08, 7.37, 111.63 ppm; 4.59 A): 2 out of 15 assignments used, quality = 1.00: * HB2 GLN 16 + HE21 GLN 16 OK 100 100 - 100 - 4.5=100 HB3 GLN 16 + HE21 GLN 16 OK 100 100 - 100 - 4.5=100 HB2 GLN 105 - HE21 GLN 16 OK 36 100 - 36 - 3.0/723=6, 3.0/723=6...(12) HB2 GLU 15 - HE21 GLN 16 OK 31 99 - 31 - 5445/6.6=9, 3.0/724=5...(11) HB2 ARG 57 - HE21 GLN 16 OK 27 99 - 27 - ~7046=19, 730/1.7=4...(4) HB2 LEU 114 - HE21 GLN 16 OK 13 100 - 13 - ~6326=7, 730/1.7=2, 1969/3.5=1 HB ILE 63 - HE21 GLN 16 lone 6 92 - 7 - 3505/6.6=1 HG3 PRO 37 - HE21 GLN 16 lone 4 60 - 7 - ~1967=1, ~1959=1 HG LEU 21 - HE21 GLN 16 lone 4 100 - 4 - HG3 GLU 69 - HE21 GLN 16 lone 3 96 - 3 - HB2 LEU 101 - HE21 GLN 16 lone 3 81 - 3 - HB3 PRO 70 - HE21 GLN 16 lone 2 71 - 3 - HG2 GLU 64 - HE21 GLN 16 lone 2 99 - 2 - HB3 GLU 38 - HE21 GLN 16 lone 2 85 - 2 - HB3 ARG 81 - HE21 GLN 16 lone 2 65 - 2 - Peak 722 from nnoeabs.peaks (2.08, 7.37, 111.63 ppm; 4.59 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 16 + HE21 GLN 16 OK 100 100 - 100 - 4.5=100 HB2 GLN 16 + HE21 GLN 16 OK 100 100 - 100 - 4.5=100 HB2 GLN 105 - HE21 GLN 16 OK 36 100 - 36 - 3.0/723=6, 3.0/723=6...(12) HB2 GLU 15 - HE21 GLN 16 OK 31 99 - 31 - 5445/6.6=9, 3.0/724=5...(11) HB2 ARG 57 - HE21 GLN 16 OK 27 99 - 27 - ~7046=19, 730/1.7=4...(4) HB2 LEU 114 - HE21 GLN 16 OK 13 100 - 13 - ~6326=7, 730/1.7=2, 1969/3.5=1 HB ILE 63 - HE21 GLN 16 lone 6 90 - 7 - 3505/6.6=1 HG LEU 21 - HE21 GLN 16 lone 4 100 - 4 - HG3 GLU 69 - HE21 GLN 16 lone 3 97 - 3 - HB2 LEU 101 - HE21 GLN 16 lone 3 83 - 3 - HB3 PRO 70 - HE21 GLN 16 lone 3 73 - 3 - HG2 GLU 64 - HE21 GLN 16 lone 2 99 - 2 - HB3 GLU 38 - HE21 GLN 16 lone 2 83 - 2 - HB3 ARG 81 - HE21 GLN 16 lone 1 63 - 2 - Peak 723 from nnoeabs.peaks (2.30, 7.37, 111.63 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 16 + HE21 GLN 16 OK 100 100 - 100 - 3.5=100 HG2 GLN 105 - HE21 GLN 16 OK 30 78 - 38 - 731/1.7=6, 1964=5...(15) HG3 GLN 105 - HE21 GLN 16 OK 29 76 - 38 - 731/1.7=6, 1964=5...(15) HG3 GLU 56 - HE21 GLN 16 lone 7 97 - 7 - 8303/6.6=1, 731/1.7=1 HB3 PRO 60 - HE21 GLN 16 lone 5 92 - 5 - 731/1.7=1 HB VAL 120 - HE21 GLN 16 lone 5 99 - 5 - 731/1.7=1 HB2 LEU 54 - HE21 GLN 16 lone 2 68 - 3 - Peak 724 from nnoeabs.peaks (2.40, 7.37, 111.63 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 16 + HE21 GLN 16 OK 100 100 - 100 - 3.5=100 HG2 GLU 15 - HE21 GLN 16 OK 14 60 - 24 - 732/1.7=4, 1939/5.4=3...(10) HG2 MET 11 - HE21 GLN 16 lone 4 85 - 5 - 732/1.7=1 HB2 GLN 103 - HE21 GLN 16 lone 3 71 - 4 - Peak 725 from nnoeabs.peaks (7.37, 7.37, 111.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 16 + HE21 GLN 16 OK 100 100 - 100 Peak 726 from nnoeabs.peaks (6.71, 7.37, 111.63 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 16 + HE21 GLN 16 OK 100 100 - 100 - 1.7=100 Peak 729 from nnoeabs.peaks (2.08, 6.71, 111.63 ppm; 4.62 A): 2 out of 15 assignments used, quality = 1.00: * HB2 GLN 16 + HE22 GLN 16 OK 100 100 - 100 - 4.5=100 HB3 GLN 16 + HE22 GLN 16 OK 100 100 - 100 - 4.5=100 HB2 GLN 105 - HE22 GLN 16 OK 36 100 - 37 - 3.0/731=6, 3.0/731=6...(13) HB2 ARG 57 - HE22 GLN 16 OK 34 99 - 34 - 3.5/7046=27, 722/1.7=3...(4) HB2 GLU 15 - HE22 GLN 16 OK 31 99 - 32 - 5445/6.6=9, 3.0/732=5...(11) HB2 LEU 114 - HE22 GLN 16 OK 16 100 - 16 - 3.1/6326=10, 722/1.7=2 HB ILE 63 - HE22 GLN 16 lone 7 92 - 8 - 3333/7046=2, 3505/6.6=1 HG3 PRO 37 - HE22 GLN 16 lone 5 60 - 8 - ~1967=1, ~1959=1 HG LEU 21 - HE22 GLN 16 lone 4 100 - 4 - HB3 GLU 38 - HE22 GLN 16 lone 3 85 - 4 - 3305/7046=2 HG3 GLU 69 - HE22 GLN 16 lone 3 96 - 3 - HB2 LEU 101 - HE22 GLN 16 lone 3 81 - 4 - HB3 PRO 70 - HE22 GLN 16 lone 3 71 - 4 - HG2 GLU 64 - HE22 GLN 16 lone 2 99 - 2 - HB3 ARG 81 - HE22 GLN 16 lone 2 65 - 4 - 3333/7046=1 Peak 730 from nnoeabs.peaks (2.08, 6.71, 111.63 ppm; 4.62 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 16 + HE22 GLN 16 OK 100 100 - 100 - 4.5=100 HB2 GLN 16 + HE22 GLN 16 OK 100 100 - 100 - 4.5=100 HB2 GLN 105 - HE22 GLN 16 OK 36 100 - 37 - 3.0/731=6, 3.0/731=6...(13) HB2 ARG 57 - HE22 GLN 16 OK 33 99 - 34 - 3.5/7046=27, 722/1.7=3...(4) HB2 GLU 15 - HE22 GLN 16 OK 31 99 - 32 - 5445/6.6=9, 3.0/732=5...(11) HB2 LEU 114 - HE22 GLN 16 OK 16 100 - 16 - 3.1/6326=10, 722/1.7=2 HB ILE 63 - HE22 GLN 16 lone 7 90 - 8 - 3333/7046=2, 3505/6.6=1 HG LEU 21 - HE22 GLN 16 lone 4 100 - 4 - HG3 GLU 69 - HE22 GLN 16 lone 3 97 - 3 - HB3 GLU 38 - HE22 GLN 16 lone 3 83 - 4 - 3305/7046=2 HB2 LEU 101 - HE22 GLN 16 lone 3 83 - 4 - HB3 PRO 70 - HE22 GLN 16 lone 3 73 - 4 - HG2 GLU 64 - HE22 GLN 16 lone 2 99 - 2 - HB3 ARG 81 - HE22 GLN 16 lone 2 63 - 4 - 3333/7046=1 Peak 731 from nnoeabs.peaks (2.30, 6.71, 111.63 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 16 + HE22 GLN 16 OK 100 100 - 100 - 3.5=100 HG2 GLN 105 - HE22 GLN 16 OK 31 78 - 40 - 723/1.7=7, 1965=5...(15) HG3 GLN 105 - HE22 GLN 16 OK 30 76 - 40 - 723/1.7=6, 1965=5...(15) HG3 GLU 56 - HE22 GLN 16 lone 7 97 - 7 - 8303/6.6=2, 723/1.7=2 HB3 PRO 60 - HE22 GLN 16 lone 6 92 - 7 - 3465/7046=1, 723/1.7=1 HB VAL 120 - HE22 GLN 16 lone 6 99 - 6 - 723/1.7=1 HB2 LEU 54 - HE22 GLN 16 lone 2 68 - 3 - Peak 732 from nnoeabs.peaks (2.40, 6.71, 111.63 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 16 + HE22 GLN 16 OK 100 100 - 100 - 3.5=100 HG2 GLU 15 - HE22 GLN 16 OK 16 60 - 27 - 724/1.7=5, 1939/5.4=4...(12) HG2 MET 11 - HE22 GLN 16 lone 5 85 - 5 - 724/1.7=1 HB2 GLN 103 - HE22 GLN 16 lone 3 71 - 5 - 724/1.7=1 Peak 733 from nnoeabs.peaks (7.37, 6.71, 111.63 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 16 + HE22 GLN 16 OK 100 100 - 100 - 1.7=100 H GLU 75 - HE22 GLN 16 lone 1 73 - 1 - H PHE 96 - HE22 GLN 16 lone 0 81 - 0 - Peak 734 from nnoeabs.peaks (6.71, 6.71, 111.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 16 + HE22 GLN 16 OK 100 100 - 100 Peak 736 from nnoeabs.peaks (3.21, 6.76, 108.88 ppm; 5.08 A): 2 out of 6 assignments used, quality = 0.95: * HA GLN 42 + HE21 GLN 42 OK 92 100 - 92 - 5.5=79, 2824/3.5=27...(10) HD2 ARG 71 + HE21 GLN 42 OK 32 99 - 32 - 2852/3.5=7, 2828/4.4=6...(9) HD2 ARG 81 - HE21 GLN 42 OK 23 96 - 24 - 2852/3.5=6, 2828/4.4=5...(7) HB3 PHE 83 - HE21 GLN 42 OK 16 100 - 16 - 2828/4.4=3, 2852/3.5=2...(5) HD3 ARG 71 - HE21 GLN 42 OK 16 65 - 24 - 2852/3.5=4, 2828/4.4=4...(9) HB3 TRP 20 - HE21 GLN 42 OK 14 97 - 15 - 1.8/6797=4, 2828/4.4=2...(5) Peak 737 from nnoeabs.peaks (0.92, 6.76, 108.88 ppm; 4.81 A): 4 out of 12 assignments used, quality = 1.00: * HB2 GLN 42 + HE21 GLN 42 OK 100 100 - 100 - 4.4=100 QD1 LEU 41 + HE21 GLN 42 OK 59 92 - 65 - 2.1/6768=10, 2.1/6764=9...(17) QD2 LEU 27 + HE21 GLN 42 OK 59 99 - 59 - 2297=11, 2.1/2283=8...(13) QD1 LEU 27 + HE21 GLN 42 OK 56 98 - 57 - 2.1/2297=9, 2.1/2283=8...(14) QD2 LEU 41 - HE21 GLN 42 OK 37 63 - 60 - 2.1/6764=9, 3.1/740=9...(16) QG2 VAL 115 - HE21 GLN 42 OK 15 99 - 15 - 2853/3.5=1, 2821/5.5=1 QD1 LEU 117 - HE21 GLN 42 OK 14 99 - 14 - 2853/3.5=2, 2.1/739=2...(6) QG2 ILE 22 - HE21 GLN 42 OK 13 99 - 13 - 3.2/6423=2 QG2 VAL 49 - HE21 GLN 42 lone 7 100 - 7 - QD1 ILE 63 - HE21 GLN 42 lone 7 73 - 9 - 8647/5.5=1 QD1 LEU 55 - HE21 GLN 42 lone 7 87 - 7 - QD1 LEU 126 - HE21 GLN 42 lone 4 98 - 4 - Peak 738 from nnoeabs.peaks (1.64, 6.76, 108.88 ppm; 4.60 A): 4 out of 15 assignments used, quality = 1.00: * HB3 GLN 42 + HE21 GLN 42 OK 100 100 - 100 - 4.4=100 HB3 LEU 41 + HE21 GLN 42 OK 49 83 - 60 - 6763=10, 4.2/955=8...(15) HG LEU 101 + HE21 GLN 42 OK 49 89 - 56 - ~7723=28, 2.1/7722=12...(10) HG LEU 27 + HE21 GLN 42 OK 46 90 - 51 - 2283=9, 2.1/2297=8...(12) HG2 PRO 30 - HE21 GLN 42 OK 14 76 - 19 - 2854/3.5=3, 2830/4.4=2...(8) HG LEU 51 - HE21 GLN 42 OK 11 100 - 11 - 2822/5.5=1, 2830/4.4=1 HB ILE 34 - HE21 GLN 42 lone 9 97 - 9 - 2854/3.5=1, 2846/3.5=1 HG3 ARG 85 - HE21 GLN 42 lone 8 98 - 8 - HB3 LYS 32 - HE21 GLN 42 lone 8 100 - 8 - 2854/3.5=1 HG2 ARG 53 - HE21 GLN 42 poor 7 68 - 10 - 3.9/6798=2, ~6795=1, 3.0/739=1 HB2 LEU 59 - HE21 GLN 42 lone 6 96 - 7 - 1.8/6790=1 HD2 LYS 31 - HE21 GLN 42 lone 4 92 - 5 - HD3 LYS 31 - HE21 GLN 42 lone 4 92 - 5 - HD3 LYS 32 - HE21 GLN 42 lone 3 68 - 4 - HD2 LYS 32 - HE21 GLN 42 lone 3 68 - 4 - Peak 739 from nnoeabs.peaks (1.76, 6.76, 108.88 ppm; 3.76 A): 2 out of 16 assignments used, quality = 1.00: * HG2 GLN 42 + HE21 GLN 42 OK 100 100 - 100 - 3.5=100 HB3 LYS 46 + HE21 GLN 42 OK 58 99 - 59 - ~8624=12, ~8625=11...(16) HB2 LEU 45 - HE21 GLN 42 OK 21 99 - 22 - 6032/5.5=5, 747/1.7=3...(8) HD2 LYS 109 - HE21 GLN 42 OK 19 100 - 19 - 6.2/6782=2, 747/1.7=2...(9) HD3 LYS 109 - HE21 GLN 42 OK 19 99 - 19 - 6.2/6782=2, 747/1.7=2...(9) HG3 ARG 71 - HE21 GLN 42 OK 18 100 - 18 - 3.0/736=3, 2855/3.5=2...(9) HG2 ARG 71 - HE21 GLN 42 OK 15 90 - 17 - 3.0/736=3, 2855/3.5=2...(9) HG3 PRO 30 - HE21 GLN 42 OK 15 100 - 15 - 2855/3.5=2, 2831/4.4=2...(8) HG LEU 117 - HE21 GLN 42 OK 10 100 - 10 - 2855/3.5=1, 2831/4.4=1 HB2 ARG 53 - HE21 GLN 42 lone 8 87 - 10 - ~6796=1, 3.0/6798=1 HB2 LEU 117 - HE21 GLN 42 lone 8 93 - 9 - 5142/4.4=1 HB2 GLU 75 - HE21 GLN 42 lone 8 90 - 9 - 1.8/6791=1 HB VAL 66 - HE21 GLN 42 lone 4 96 - 4 - HB2 LYS 32 - HE21 GLN 42 lone 3 65 - 4 - HB2 LEU 91 - HE21 GLN 42 lone 2 71 - 3 - HB2 PRO 37 - HE21 GLN 42 lone 2 65 - 3 - Peak 740 from nnoeabs.peaks (1.69, 6.76, 108.88 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 42 + HE21 GLN 42 OK 100 100 - 100 - 3.5=100 HB3 LEU 41 - HE21 GLN 42 OK 28 60 - 47 - 748/1.7=6, 3.1/6768=5...(15) HB3 LEU 77 - HE21 GLN 42 lone 6 68 - 9 - 748/1.7=2, 2832/4.4=1...(4) Peak 741 from nnoeabs.peaks (6.76, 6.76, 108.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 42 + HE21 GLN 42 OK 100 100 - 100 Peak 742 from nnoeabs.peaks (6.62, 6.76, 108.88 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 42 + HE21 GLN 42 OK 100 100 - 100 - 1.7=100 Peak 747 from nnoeabs.peaks (1.76, 6.62, 108.88 ppm; 4.20 A): 2 out of 16 assignments used, quality = 1.00: * HG2 GLN 42 + HE22 GLN 42 OK 100 100 - 100 - 3.5=100 HB3 LYS 46 + HE22 GLN 42 OK 70 99 - 71 - 3.5/8624=21, 3.5/8625=20...(15) HB2 LEU 45 - HE22 GLN 42 OK 28 99 - 28 - 6032/5.5=7, 6839/7723=3...(12) HD2 LYS 109 - HE22 GLN 42 OK 22 100 - 22 - 3.0/6794=3, 739/1.7=3...(10) HD3 LYS 109 - HE22 GLN 42 OK 22 99 - 22 - 3.0/6794=3, 739/1.7=3...(10) HG3 ARG 71 - HE22 GLN 42 OK 19 100 - 19 - ~736=3, 2831/4.4=3...(8) HG2 ARG 71 - HE22 GLN 42 OK 16 90 - 18 - ~736=3, 2831/4.4=2...(9) HG3 PRO 30 - HE22 GLN 42 OK 15 100 - 15 - 2855/3.5=3, 6592/1.7=2...(7) HG LEU 117 - HE22 GLN 42 OK 11 100 - 11 - 7996/1.7=2, 2855/3.5=1 HB2 ARG 53 - HE22 GLN 42 OK 10 87 - 12 - 3.0/6796=2, 1.8/6795=1...(4) HB2 LEU 117 - HE22 GLN 42 lone 9 93 - 10 - 7994/1.7=1, 5142/4.4=1 HB2 GLU 75 - HE22 GLN 42 poor 9 90 - 10 - ~8330=1, 1.8/6794=1...(4) HB VAL 66 - HE22 GLN 42 lone 4 96 - 4 - HB2 LEU 91 - HE22 GLN 42 lone 3 71 - 4 - 7705/7723=1 HB2 LYS 32 - HE22 GLN 42 lone 2 65 - 4 - HB2 PRO 37 - HE22 GLN 42 lone 2 65 - 3 - Peak 748 from nnoeabs.peaks (1.69, 6.62, 108.88 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 42 + HE22 GLN 42 OK 100 100 - 100 - 3.5=100 HB3 LEU 41 - HE22 GLN 42 OK 30 60 - 50 - 740/1.7=9, 2832/4.4=6...(14) HB3 LEU 77 - HE22 GLN 42 poor 8 68 - 11 - 740/1.7=2, 2832/4.4=2...(6) Peak 749 from nnoeabs.peaks (6.76, 6.62, 108.88 ppm; 2.44 A): 1 out of 7 assignments used, quality = 1.00: * HE21 GLN 42 + HE22 GLN 42 OK 100 100 - 100 - 1.7=100 HZ PHE 107 - HE22 GLN 42 OK 15 97 - 16 - 2857/3.5=3, 4770/5.5=2...(8) H LEU 27 - HE22 GLN 42 lone 8 99 - 8 - 4.0/6792=1, 2857/3.5=1 QE TYR 67 - HE22 GLN 42 lone 4 73 - 6 - ~6781=1 H VAL 110 - HE22 GLN 42 lone 3 71 - 4 - HD22 ASN 99 - HE22 GLN 42 lone 2 100 - 2 - HH2 TRP 20 - HE22 GLN 42 lone 1 60 - 1 - Peak 750 from nnoeabs.peaks (6.62, 6.62, 108.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 42 + HE22 GLN 42 OK 100 100 - 100 Peak 752 from nnoeabs.peaks (4.27, 7.71, 111.47 ppm; 4.80 A): 3 out of 11 assignments used, quality = 0.93: * HA GLN 103 + HE21 GLN 103 OK 87 100 - 87 - 5.4=69, 4721/3.5=23...(7) HA LYS 65 + HE21 GLN 103 OK 29 90 - 32 - 3.0/7763=8, 4741/3.5=6...(8) HA LEU 114 + HE21 GLN 103 OK 28 83 - 33 - 7953/1.7=7, ~7952=5...(10) HA GLU 64 - HE21 GLN 103 OK 19 90 - 21 - 3.6/7763=7, 4749/3.5=4...(7) HA GLU 94 - HE21 GLN 103 OK 17 100 - 17 - 4733/4.6=3, 4749/3.5=3...(6) HA LEU 58 - HE21 GLN 103 OK 13 78 - 17 - 3.0/3354=2, 4.0/3382=2...(10) HB3 SER 113 - HE21 GLN 103 lone 7 73 - 9 - 4.0/1759=1 HA ALA 122 - HE21 GLN 103 lone 6 100 - 6 - 3.0/624=1 HB THR 19 - HE21 GLN 103 lone 4 65 - 6 - 6373/4.6=1 HB2 SER 78 - HE21 GLN 103 lone 3 71 - 5 - HA3 GLY 48 - HE21 GLN 103 lone 1 63 - 2 - Peak 753 from nnoeabs.peaks (2.37, 7.71, 111.47 ppm; 4.89 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 103 + HE21 GLN 103 OK 100 100 - 100 - 4.6=100 HG2 MET 11 - HE21 GLN 103 OK 38 99 - 39 - 4750/3.5=8, 4742/3.5=8...(9) HG2 GLU 15 - HE21 GLN 103 OK 13 100 - 13 - 761/1.7=3, 4750/3.5=2...(6) HB VAL 18 - HE21 GLN 103 OK 12 93 - 13 - 4750/3.5=2, 761/1.7=2...(5) HG2 PRO 70 - HE21 GLN 103 OK 11 76 - 14 - 4750/3.5=3, 4742/3.5=3...(6) HB3 ASN 118 - HE21 GLN 103 OK 10 85 - 12 - 3.0/6262=2, 761/1.7=2...(5) HG3 GLN 16 - HE21 GLN 103 lone 4 71 - 5 - Peak 754 from nnoeabs.peaks (1.98, 7.71, 111.47 ppm; 4.88 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 103 + HE21 GLN 103 OK 100 100 - 100 - 4.6=100 HB2 LYS 46 + HE21 GLN 103 OK 57 92 - 63 - 4.7/755=10, 4.7/756=9...(18) HB2 MET 11 - HE21 GLN 103 OK 32 100 - 32 - 3.0/753=6, 4751/3.5=6...(8) HG LEU 114 - HE21 GLN 103 OK 28 100 - 28 - ~7949=5, ~7952=5...(9) HB2 GLU 94 - HE21 GLN 103 OK 13 92 - 14 - 2.9/752=3, 4519/5.4=3...(5) HG LEU 45 - HE21 GLN 103 OK 12 97 - 12 - ~5582=3, ~5579=2 HB ILE 124 - HE21 GLN 103 lone 7 100 - 7 - HB2 LEU 41 - HE21 GLN 103 lone 7 100 - 7 - HB2 LEU 55 - HE21 GLN 103 lone 6 87 - 7 - 3.0/8639=2 HB3 GLU 94 - HE21 GLN 103 lone 6 60 - 10 - 2.9/752=3, 4751/3.5=1...(4) HB3 PRO 68 - HE21 GLN 103 lone 5 100 - 5 - HG2 PRO 68 - HE21 GLN 103 lone 5 100 - 5 - HB2 ARG 71 - HE21 GLN 103 lone 4 98 - 4 - HG2 PRO 60 - HE21 GLN 103 lone 4 97 - 4 - Peak 755 from nnoeabs.peaks (2.64, 7.71, 111.47 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 103 + HE21 GLN 103 OK 100 100 - 100 - 3.5=100 HE2 LYS 46 + HE21 GLN 103 OK 54 96 - 57 - 763/1.7=12, 1.8/756=11...(14) HB3 ASP 123 - HE21 GLN 103 lone 4 83 - 4 - Peak 756 from nnoeabs.peaks (2.52, 7.71, 111.47 ppm; 3.44 A): 2 out of 3 assignments used, quality = 0.97: * HG3 GLN 103 + HE21 GLN 103 OK 94 100 - 94 - 3.5=93, 4.0/4722=8...(6) HE3 LYS 46 + HE21 GLN 103 OK 41 83 - 49 - 1.8/755=11, 764/1.7=9...(14) HG2 GLU 82 - HE21 GLN 103 OK 14 100 - 14 - 764/1.7=3, 4745/3.5=3...(5) Peak 757 from nnoeabs.peaks (7.71, 7.71, 111.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 103 + HE21 GLN 103 OK 100 100 - 100 Peak 758 from nnoeabs.peaks (6.90, 7.71, 111.47 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 103 + HE21 GLN 103 OK 100 100 - 100 - 1.7=100 QE TYR 102 - HE21 GLN 103 OK 13 65 - 20 - 2.2/7763=6, ~7764=3...(7) H LYS 46 - HE21 GLN 103 lone 7 100 - 7 - 4747/3.5=2, 4755/3.5=1...(4) HZ3 TRP 20 - HE21 GLN 103 lone 2 100 - 2 - Peak 761 from nnoeabs.peaks (2.37, 6.90, 111.47 ppm; 5.75 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 103 + HE22 GLN 103 OK 100 100 - 100 - 4.6=100 HG2 MET 11 - HE22 GLN 103 OK 44 99 - 45 - 4734/4.6=10, 4750/3.5=10...(8) HG2 GLU 15 - HE22 GLN 103 OK 17 100 - 17 - 753/1.7=3, 4750/3.5=3...(6) HB VAL 18 - HE22 GLN 103 OK 15 93 - 16 - 753/1.7=3, 4750/3.5=3...(6) HG2 PRO 70 - HE22 GLN 103 OK 13 76 - 17 - 4750/3.5=3, 4728/3.5=3...(6) HB3 ASN 118 - HE22 GLN 103 OK 12 85 - 14 - 753/1.7=3, ~6262=2...(6) HG3 GLN 16 - HE22 GLN 103 lone 5 71 - 7 - 753/1.7=1 Peak 763 from nnoeabs.peaks (2.64, 6.90, 111.47 ppm; 4.18 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 103 + HE22 GLN 103 OK 100 100 - 100 - 3.5=100 HE2 LYS 46 + HE22 GLN 103 OK 67 96 - 71 - 755/1.7=15, 1.8/764=13...(17) HB3 ASP 123 - HE22 GLN 103 lone 5 83 - 6 - 755/1.7=1 Peak 764 from nnoeabs.peaks (2.52, 6.90, 111.47 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 103 + HE22 GLN 103 OK 100 100 - 100 - 3.5=100 HE3 LYS 46 + HE22 GLN 103 OK 52 83 - 63 - 1.8/763=13, 756/1.7=12...(17) HG2 GLU 82 - HE22 GLN 103 OK 17 100 - 17 - 756/1.7=4, 4745/3.5=4...(6) Peak 765 from nnoeabs.peaks (7.71, 6.90, 111.47 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HE21 GLN 103 + HE22 GLN 103 OK 100 100 - 100 - 1.7=100 H LEU 111 - HE22 GLN 103 lone 3 97 - 3 - H LEU 58 - HE22 GLN 103 lone 2 95 - 3 - H ASN 118 - HE22 GLN 103 lone 1 65 - 2 - H THR 121 - HE22 GLN 103 lone 1 83 - 1 - H LEU 126 - HE22 GLN 103 lone 1 92 - 1 - H SER 90 - HE22 GLN 103 lone 1 95 - 1 - Peak 766 from nnoeabs.peaks (6.90, 6.90, 111.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 103 + HE22 GLN 103 OK 100 100 - 100 Peak 768 from nnoeabs.peaks (4.38, 7.43, 111.76 ppm; 4.64 A): 4 out of 14 assignments used, quality = 0.85: * HA GLN 105 + HE21 GLN 105 OK 74 100 - 74 - 5.9=49, 4767/3.5=16...(5) HA ASP 100 + HE21 GLN 105 OK 23 63 - 37 - 7697/3.5=10, 7697/3.5=10...(5) HA LEU 93 + HE21 GLN 105 OK 16 100 - 16 - 7599/3.5=4, 7599/3.5=4...(5) HA CYS 76 + HE21 GLN 105 OK 10 78 - 13 - 7330=2, ~7329=2, ~7334=2...(6) HA MET 11 - HE21 GLN 105 lone 8 95 - 8 - 4771/4.5=2, 4779/4.5=2 HA GLN 105 - H SER 72 lone 8 92 - 8 - 3.0/4784=2, 3.0/769=1 HB THR 116 - HE21 GLN 105 lone 8 99 - 8 - 4771/4.5=2, 4779/4.5=1...(4) HA CYS 76 - H SER 72 lone 6 67 - 8 - 7330=2, 8320/7269=2, 2.9/356=1 HA SER 35 - HE21 GLN 105 lone 3 100 - 3 - HA LEU 93 - H SER 72 lone 3 92 - 3 - HA MET 11 - H SER 72 lone 2 83 - 3 - HA SER 35 - H SER 72 lone 2 92 - 2 - HB THR 116 - H SER 72 lone 2 89 - 2 - HA ASP 100 - H SER 72 lone 1 53 - 2 - Peak 769 from nnoeabs.peaks (2.08, 7.43, 111.76 ppm; 4.10 A): 5 out of 30 assignments used, quality = 0.94: * HB2 GLN 105 + HE21 GLN 105 OK 88 100 - 88 - 4.5=75, 3.0/772=16...(6) HB3 PRO 70 + H SER 72 OK 25 55 - 46 - 3.9/334=20, 1.8/7269=10...(9) HB3 PRO 70 + HE21 GLN 105 OK 13 65 - 20 - 3.9/334=4, 1.8/7269=4...(7) HB2 GLN 16 + HE21 GLN 105 OK 11 100 - 11 - 1946/3.5=2, 1946/3.5=2...(4) HB3 GLN 16 + HE21 GLN 105 OK 11 100 - 11 - 1954/3.5=2, 1954/3.5=2...(4) HB2 ARG 57 - HE21 GLN 105 lone 8 100 - 8 - 1.8/770=2, 4780/4.5=1 HG3 GLU 69 - HE21 GLN 105 lone 8 93 - 9 - 3.0/4784=2, 3785/4.5=2 HB2 GLN 105 - H SER 72 lone 7 92 - 7 - 1.8/770=2, 3.0/768=1, 4.5/781=1 HB2 LEU 101 - H SER 72 lone 6 64 - 9 - 4652/3.6=2, 1.8/7284=2...(4) HB2 LEU 114 - H SER 72 lone 5 91 - 5 - 3.1/7285=1 HB2 ARG 57 - H SER 72 lone 4 91 - 5 - 1.8/770=1 HB ILE 63 - HE21 GLN 105 lone 4 95 - 5 - HB2 LEU 114 - HE21 GLN 105 lone 4 100 - 4 - HB2 GLU 15 - H SER 72 lone 3 87 - 4 - HG3 GLU 69 - H SER 72 lone 3 82 - 4 - 3.0/4784=1 HB3 GLU 38 - HE21 GLN 105 lone 3 89 - 3 - HB2 GLU 15 - HE21 GLN 105 lone 3 97 - 3 - HB ILE 63 - H SER 72 lone 3 83 - 3 - HB3 GLU 38 - H SER 72 lone 3 77 - 4 - HB2 LEU 101 - HE21 GLN 105 lone 2 76 - 3 - HG LEU 21 - HE21 GLN 105 lone 2 99 - 2 - HG3 PRO 37 - H SER 72 lone 2 55 - 4 - HG2 GLU 64 - HE21 GLN 105 lone 1 100 - 1 - HG LEU 21 - H SER 72 lone 1 90 - 1 - HG3 PRO 37 - HE21 GLN 105 lone 1 65 - 2 - HB3 GLN 16 - H SER 72 lone 1 92 - 1 - HB2 GLN 16 - H SER 72 lone 1 92 - 1 - HB3 ARG 81 - HE21 GLN 105 lone 1 71 - 2 - HG2 GLU 64 - H SER 72 lone 1 91 - 1 - HB3 ARG 81 - H SER 72 lone 1 60 - 1 - Peak 770 from nnoeabs.peaks (1.82, 7.43, 111.76 ppm; 3.83 A): 4 out of 26 assignments used, quality = 0.88: * HB3 GLN 105 + HE21 GLN 105 OK 80 100 - 80 - 4.5=61, 3.0/772=14...(6) HG2 GLU 75 + H SER 72 OK 24 91 - 27 - 1.8/7285=7, 3.0/7284=6...(6) HB2 GLU 69 + HE21 GLN 105 OK 13 92 - 14 - 4773/4.5=3, 4783/3.5=2...(7) HG2 GLU 75 + HE21 GLN 105 OK 10 100 - 10 - 1.8/7285=2, 3.0/7284=2 HB2 PRO 60 - H SER 72 poor 9 80 - 11 - 8415/4.6=4, 3452/3.6=3 HB3 ARG 57 - HE21 GLN 105 lone 9 99 - 9 - 4773/4.5=2, 1.8/769=1...(5) HB3 GLN 105 - H SER 72 lone 8 92 - 8 - 4784=1, 1.8/769=1...(4) HG3 ARG 53 - H SER 72 lone 7 88 - 8 - 3155/4.7=2, 3155/4.7=1...(4) HG2 GLU 73 - H SER 72 lone 6 71 - 8 - 1122/4.6=4, 4.9/1477=2 HG3 GLU 73 - H SER 72 lone 6 69 - 8 - 1122/4.6=4, 4.9/1477=2 HB3 ARG 57 - H SER 72 lone 5 90 - 6 - HG13 ILE 63 - HE21 GLN 105 lone 5 100 - 5 - HB2 GLU 69 - H SER 72 lone 5 80 - 6 - 4.8/7287=3 HB2 PRO 60 - HE21 GLN 105 lone 3 92 - 3 - HG13 ILE 63 - H SER 72 lone 3 92 - 3 - HG3 ARG 53 - HE21 GLN 105 lone 3 98 - 3 - HG2 GLU 73 - HE21 GLN 105 lone 3 83 - 3 - HG LEU 41 - HE21 GLN 105 lone 3 93 - 3 - HG3 GLU 73 - HE21 GLN 105 lone 2 81 - 3 - HG LEU 41 - H SER 72 lone 2 82 - 2 - HB3 ARG 92 - HE21 GLN 105 lone 2 96 - 2 - HB3 GLU 56 - H SER 72 lone 2 57 - 3 - 8415/4.6=1 HB3 ARG 92 - H SER 72 lone 1 85 - 1 - HB3 GLU 56 - HE21 GLN 105 lone 1 68 - 1 - HG12 ILE 22 - HE21 GLN 105 lone 1 60 - 1 - HG12 ILE 22 - H SER 72 lone 1 50 - 1 - Peak 771 from nnoeabs.peaks (2.28, 7.43, 111.76 ppm; 3.38 A): 2 out of 12 assignments used, quality = 0.99: * HG2 GLN 105 + HE21 GLN 105 OK 91 100 - 91 - 3.5=88, 3.0/770=8...(5) HG3 GLN 105 + HE21 GLN 105 OK 91 100 - 91 - 3.5=88, 3.0/770=8...(5) HG2 GLN 105 - H SER 72 lone 5 92 - 5 - 4800=1, 3.5/781=1 HG3 GLN 105 - H SER 72 lone 5 92 - 5 - 4800=1, 3.5/781=1 HG2 GLN 16 - HE21 GLN 105 lone 5 78 - 6 - 4774/4.5=1 HB VAL 120 - HE21 GLN 105 lone 4 92 - 4 - HG3 GLU 94 - HE21 GLN 105 lone 2 93 - 2 - HB2 CYS 87 - HE21 GLN 105 lone 1 93 - 1 - HB2 CYS 87 - H SER 72 lone 1 82 - 1 - HG3 GLU 94 - H SER 72 lone 1 82 - 1 - HB VAL 120 - H SER 72 lone 1 80 - 1 - HG2 GLN 16 - H SER 72 lone 0 67 - 1 - Peak 772 from nnoeabs.peaks (2.28, 7.43, 111.76 ppm; 3.38 A): 2 out of 12 assignments used, quality = 0.99: * HG3 GLN 105 + HE21 GLN 105 OK 91 100 - 91 - 3.5=88, 3.0/770=8...(5) HG2 GLN 105 + HE21 GLN 105 OK 91 100 - 91 - 3.5=88, 3.0/770=8...(5) HG3 GLN 105 - H SER 72 lone 5 92 - 5 - 4800=1, 3.5/781=1 HG2 GLN 105 - H SER 72 lone 5 92 - 5 - 4800=1, 3.5/781=1 HG2 GLN 16 - HE21 GLN 105 lone 5 76 - 6 - 4774/4.5=1 HB VAL 120 - HE21 GLN 105 lone 4 90 - 4 - HG3 GLU 94 - HE21 GLN 105 lone 2 95 - 2 - HB2 CYS 87 - HE21 GLN 105 lone 1 95 - 1 - HB2 CYS 87 - H SER 72 lone 1 83 - 1 - HG3 GLU 94 - H SER 72 lone 1 83 - 1 - HB VAL 120 - H SER 72 lone 1 79 - 1 - HG2 GLN 16 - H SER 72 lone 0 64 - 1 - Peak 773 from nnoeabs.peaks (7.43, 7.43, 111.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 105 + HE21 GLN 105 OK 100 100 - 100 H SER 72 + H SER 72 OK 89 89 - 100 Peak 774 from nnoeabs.peaks (6.85, 7.43, 111.76 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 105 + HE21 GLN 105 OK 100 100 - 100 - 1.7=100 HE22 GLN 105 - H SER 72 lone 3 92 - 4 - 781=2 QE TYR 102 - HE21 GLN 105 lone 0 81 - 1 - QE TYR 102 - H SER 72 lone 0 69 - 1 - Peak 779 from nnoeabs.peaks (2.28, 6.85, 111.76 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 105 + HE22 GLN 105 OK 100 100 - 100 - 3.5=100 HG3 GLN 105 + HE22 GLN 105 OK 100 100 - 100 - 3.5=100 HG2 GLN 16 - HE22 GLN 105 lone 5 78 - 7 - 4774/4.5=1, 4782/4.5=1 HB VAL 120 - HE22 GLN 105 lone 5 92 - 5 - 4774/4.5=1, 4782/4.5=1 HG3 GLU 94 - HE22 GLN 105 lone 2 93 - 2 - HB2 CYS 87 - HE22 GLN 105 lone 2 93 - 2 - Peak 780 from nnoeabs.peaks (2.28, 6.85, 111.76 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 105 + HE22 GLN 105 OK 100 100 - 100 - 3.5=100 HG2 GLN 105 + HE22 GLN 105 OK 100 100 - 100 - 3.5=100 HG2 GLN 16 - HE22 GLN 105 lone 5 76 - 7 - 4774/4.5=1, 4782/4.5=1 HB VAL 120 - HE22 GLN 105 lone 5 90 - 5 - 4774/4.5=1, 4782/4.5=1 HG3 GLU 94 - HE22 GLN 105 lone 2 95 - 2 - HB2 CYS 87 - HE22 GLN 105 lone 2 95 - 2 - Peak 781 from nnoeabs.peaks (7.43, 6.85, 111.76 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE21 GLN 105 + HE22 GLN 105 OK 100 100 - 100 - 1.7=100 H SER 72 - HE22 GLN 105 lone 4 99 - 3 - 774=2 HD21 ASN 79 - HE22 GLN 105 lone 3 81 - 4 - H LYS 32 - HE22 GLN 105 lone 1 92 - 1 - Peak 782 from nnoeabs.peaks (6.85, 6.85, 111.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 105 + HE22 GLN 105 OK 100 100 - 100 Peak 783 from nnoeabs.peaks (8.49, 8.49, 110.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 2 + H GLY 2 OK 100 100 - 100 Peak 784 from nnoeabs.peaks (3.90, 8.49, 110.01 ppm; 4.82 A): 2 out of 13 assignments used, quality = 1.00: HA3 GLY 2 + H GLY 2 OK 100 100 - 100 - 3.0=100 * HA2 GLY 2 + H GLY 2 OK 100 100 - 100 - 3.0=100 HA ILE 34 - H GLY 2 lone 8 100 - 8 - 4.1/6628=2, 3.2/6620=2...(4) HD2 PRO 68 - H GLY 2 lone 5 98 - 5 - HD3 PRO 68 - H GLY 2 lone 5 97 - 5 - HA ARG 53 - H GLY 2 lone 3 90 - 3 - HB THR 95 - H GLY 2 lone 2 93 - 2 - HA ARG 85 - H GLY 2 lone 2 63 - 4 - HB3 ASN 79 - H GLY 2 lone 2 83 - 2 - HB THR 62 - H GLY 2 lone 2 97 - 2 - HA ALA 43 - H GLY 2 lone 1 89 - 2 - HB2 SER 112 - H GLY 2 lone 1 97 - 1 - HB3 SER 112 - H GLY 2 lone 1 95 - 1 - Peak 785 from nnoeabs.peaks (8.21, 8.21, 121.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 H ASP 100 + H ASP 100 OK 86 86 - 100 Peak 786 from nnoeabs.peaks (4.37, 8.21, 121.29 ppm; 3.73 A): 2 out of 16 assignments used, quality = 1.00: * HA MET 11 + H MET 11 OK 100 100 - 100 - 2.9=100 HA ASP 100 + H ASP 100 OK 83 83 - 100 - 2.9=100 HA ASP 100 - H MET 11 OK 35 92 - 39 - 4632=10, 3.6/495=6...(11) HA MET 11 - H ASP 100 OK 28 94 - 30 - 3.0/8595=5, 3.0/8594=4...(12) HA GLN 105 - H ASP 100 OK 24 86 - 28 - ~7689=7, ~7695=6...(10) HA CYS 76 - H ASP 100 OK 15 91 - 17 - 3.0/1270=3, 3981/3.8=2...(7) HA PHE 40 - H ASP 100 OK 15 55 - 27 - 3.0/4636=5, 2737/3.8=4...(10) HA GLN 105 - H MET 11 OK 12 95 - 12 - 1851/4.1=2, 1845/4.1=2...(4) HB THR 116 - H MET 11 lone 9 100 - 9 - 1851/4.1=2, 5903/4.6=2...(4) HA CYS 76 - H MET 11 lone 6 98 - 6 - HA PHE 40 - H MET 11 lone 3 63 - 6 - HA LEU 93 - H MET 11 lone 3 90 - 4 - HB THR 116 - H ASP 100 lone 3 93 - 3 - HA SER 35 - H MET 11 lone 2 97 - 2 - HA SER 35 - H ASP 100 lone 2 90 - 2 - HA LEU 93 - H ASP 100 lone 1 81 - 1 - Peak 787 from nnoeabs.peaks (1.98, 8.21, 121.29 ppm; 4.76 A): 2 out of 26 assignments used, quality = 1.00: * HB2 MET 11 + H MET 11 OK 100 100 - 100 - 4.1=100 HB2 MET 11 + H ASP 100 OK 47 94 - 50 - 8594=10, 1.8/8595=10...(11) HB3 GLN 103 - H MET 11 OK 39 100 - 39 - 1840/2.9=7, 4734/5.1=7...(9) HB2 LYS 46 - H MET 11 OK 20 96 - 21 - 8594=4, 1849/5.1=4...(6) HB2 LEU 41 - H ASP 100 OK 15 94 - 16 - 6760/4.6=4, ~6756=3...(5) HB3 GLN 103 - H ASP 100 OK 11 94 - 11 - 7678/4.6=4, 1.8/789=2, ~6188=2 HG LEU 45 - H ASP 100 lone 7 85 - 9 - 7678/4.6=6, 3.0/7692=1 HB2 LYS 46 - H ASP 100 lone 7 87 - 8 - 4.4/6894=2, 8594=2 HB2 LEU 41 - H MET 11 lone 6 100 - 6 - HB3 PRO 68 - H MET 11 lone 5 100 - 5 - HG LEU 114 - H MET 11 lone 5 99 - 5 - HB ILE 124 - H MET 11 lone 5 100 - 5 - HG2 PRO 60 - H MET 11 lone 5 99 - 5 - 11/4.6=1 HG2 PRO 68 - H MET 11 lone 5 99 - 5 - HG LEU 45 - H MET 11 lone 5 93 - 5 - HB ILE 124 - H ASP 100 lone 4 94 - 4 - 7678/4.6=1 HB2 LEU 55 - H MET 11 lone 4 92 - 4 - HB2 GLU 94 - H MET 11 lone 3 96 - 3 - HB2 ARG 71 - H MET 11 lone 3 96 - 3 - HG2 PRO 60 - H ASP 100 lone 3 92 - 3 - HG LEU 114 - H ASP 100 lone 3 93 - 3 - HB3 PRO 68 - H ASP 100 lone 2 94 - 2 - HB2 ARG 71 - H ASP 100 lone 2 87 - 2 - HG2 PRO 68 - H ASP 100 lone 2 93 - 2 - HB2 LEU 55 - H ASP 100 lone 2 83 - 2 - HB2 GLU 94 - H ASP 100 lone 2 87 - 2 - Peak 788 from nnoeabs.peaks (1.92, 8.21, 121.29 ppm; 4.58 A): 2 out of 32 assignments used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 100 100 - 100 - 4.1=100 HB2 LEU 21 + H MET 11 OK 55 97 - 57 - 2105=12, 1.8/2112=11...(12) HB3 MET 11 - H ASP 100 OK 43 94 - 46 - 8595=10, 1.8/8594=8...(10) HB2 LEU 21 - H ASP 100 OK 32 90 - 35 - 1.8/2112=7, 2105=6...(8) HB ILE 22 - H MET 11 OK 15 99 - 15 - 3.9/65=7, 4.4/1569=3 HG LEU 58 - H MET 11 poor 10 90 - 11 - 12/4.6=2, 1841/2.9=1, 1865/5.1=1 HB2 LEU 84 - H MET 11 lone 8 95 - 8 - 2105=1 HB ILE 22 - H ASP 100 lone 7 92 - 8 - 3.9/65=3, 4.4/1569=2 HB ILE 80 - H MET 11 lone 7 99 - 7 - HB2 ARG 81 - H MET 11 lone 5 99 - 5 - HB2 LEU 84 - H ASP 100 lone 5 86 - 6 - 4.0/1726=1 HB2 ARG 81 - H ASP 100 lone 5 91 - 5 - HB3 LYS 119 - H MET 11 lone 4 65 - 7 - 12/4.6=2 HB ILE 80 - H ASP 100 lone 4 93 - 4 - HB2 GLU 28 - H MET 11 lone 4 96 - 4 - HB3 GLU 73 - H MET 11 lone 3 100 - 3 - HB2 GLU 28 - H ASP 100 lone 3 87 - 4 - 3.8/1726=1 HG LEU 58 - H ASP 100 lone 3 81 - 4 - HB2 LYS 109 - H ASP 100 lone 3 72 - 4 - 7839/3.8=2 HB2 LYS 109 - H MET 11 lone 3 81 - 4 - HB3 GLU 64 - H MET 11 lone 3 85 - 3 - HG LEU 84 - H MET 11 lone 3 63 - 4 - HB3 GLU 69 - H MET 11 lone 3 65 - 4 - HB3 GLU 69 - H ASP 100 lone 3 57 - 5 - HB2 GLU 64 - H MET 11 lone 3 81 - 3 - HB2 GLU 38 - H ASP 100 lone 2 62 - 4 - HB3 GLU 73 - H ASP 100 lone 2 93 - 2 - HG LEU 84 - H ASP 100 lone 2 55 - 4 - 5.2/1726=1 HB2 GLU 38 - H MET 11 lone 2 71 - 3 - HB3 LYS 119 - H ASP 100 lone 2 57 - 3 - HB3 GLU 64 - H ASP 100 lone 1 76 - 2 - HB2 GLU 64 - H ASP 100 lone 1 72 - 2 - Peak 789 from nnoeabs.peaks (2.38, 8.21, 121.29 ppm; 5.64 A): 2 out of 14 assignments used, quality = 1.00: * HG2 MET 11 + H MET 11 OK 100 100 - 100 - 5.1=100 HG2 MET 11 + H ASP 100 OK 50 94 - 54 - 1.8/790=12, 3.0/8595=11...(9) HB2 GLN 103 - H MET 11 OK 41 99 - 42 - 6188/2.9=10, 1854/4.1=9...(7) HB2 GLN 103 - H ASP 100 OK 17 93 - 18 - 7773/3.6=9, 6188/2.9=3...(4) HB VAL 18 - H MET 11 OK 17 83 - 20 - 3.0/5973=7, 1854/4.1=3...(6) HG2 GLU 15 - H ASP 100 OK 11 90 - 12 - 1922/4.6=4, 4.6/489=4 HG2 GLU 15 - H MET 11 OK 11 97 - 11 - 13/4.6=3, 1854/4.1=1, 1842/2.9=1 HG2 PRO 70 - H MET 11 poor 10 60 - 16 - ~8319=4, ~8320=3...(5) HB VAL 18 - H ASP 100 poor 8 74 - 11 - 3.0/5973=4, ~8393=3 HG3 GLN 16 - H MET 11 lone 6 85 - 7 - 1854/4.1=1 HG2 PRO 70 - H ASP 100 poor 6 52 - 12 - ~8319=2, ~8320=1...(5) HG3 GLN 16 - H ASP 100 lone 4 76 - 5 - HB3 ASN 118 - H MET 11 lone 3 71 - 5 - 13/4.6=1 HB3 ASN 118 - H ASP 100 lone 1 62 - 2 - Peak 790 from nnoeabs.peaks (2.43, 8.21, 121.29 ppm; 5.24 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + H MET 11 OK 100 100 - 100 - 5.1=100 HG3 MET 11 - H ASP 100 OK 44 94 - 47 - 3.0/8595=10, 3.0/8594=9...(9) HB2 CYS 52 - H MET 11 OK 19 85 - 22 - 1855/4.1=5, 1843/2.9=5...(6) HB2 CYS 52 - H ASP 100 lone 6 76 - 8 - 1.8/1270=1, ~4635=1 Peak 791 from nnoeabs.peaks (8.67, 8.67, 120.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 12 + H ASN 12 OK 100 100 - 100 Peak 792 from nnoeabs.peaks (4.75, 8.67, 120.34 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 12 + H ASN 12 OK 100 100 - 100 - 2.9=100 HA SER 72 - H ASN 12 lone 2 60 - 3 - Peak 793 from nnoeabs.peaks (2.98, 8.67, 120.34 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 12 + H ASN 12 OK 100 100 - 100 - 4.0=100 HA VAL 110 - H ASN 12 OK 14 100 - 14 - 1870/2.9=4, 1882/4.0=3...(5) HE3 LYS 31 - H ASN 12 lone 9 95 - 10 - 17/4.7=2, 1870/2.9=2...(4) HE2 LYS 31 - H ASN 12 lone 9 95 - 10 - 17/4.7=2, 1870/2.9=2...(4) HB3 TYR 102 - H ASN 12 lone 9 93 - 9 - 1870/2.9=2, 1882/4.0=2...(5) Peak 794 from nnoeabs.peaks (2.88, 8.67, 120.34 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 12 + H ASN 12 OK 100 100 - 100 - 4.0=100 HB2 ASP 100 - H ASN 12 OK 24 97 - 24 - 3.0/7690=6, 1871/2.9=4...(9) HE2 LYS 119 - H ASN 12 OK 14 81 - 18 - 1871/2.9=2, 1.8/5921=2...(9) HE3 LYS 119 - H ASN 12 OK 14 78 - 18 - 1871/2.9=2, 1.8/5921=2...(9) HB2 PHE 40 - H ASN 12 OK 12 97 - 12 - 1871/2.9=3, 18/4.7=2...(5) HB2 ASN 106 - H ASN 12 lone 8 87 - 10 - 7805/3.6=2, 4813/5.7=2...(4) Peak 797 from nnoeabs.peaks (8.50, 8.50, 116.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 13 + H SER 13 OK 100 100 - 100 Peak 798 from nnoeabs.peaks (4.21, 8.50, 116.08 ppm; 4.29 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 13 + H SER 13 OK 100 100 - 100 - 2.9=100 HA VAL 26 - H SER 13 OK 27 100 - 27 - 1886=5, 1895/4.0=3...(12) HA THR 17 - H SER 13 OK 17 85 - 20 - ~5949=5, 22/4.6=5...(8) HA ILE 22 - H SER 13 OK 15 100 - 15 - 1895/4.0=3, 1891/4.0=2...(7) HA CYS 52 - H SER 13 lone 6 99 - 6 - HA VAL 66 - H SER 13 lone 6 100 - 6 - HA LEU 126 - H SER 13 lone 3 99 - 3 - HA3 GLY 61 - H SER 13 lone 1 78 - 1 - HA ALA 89 - H SER 13 lone 1 65 - 1 - HA PRO 68 - H SER 13 lone 1 60 - 1 - Peak 799 from nnoeabs.peaks (3.87, 8.50, 116.08 ppm; 4.36 A): 1 out of 12 assignments used, quality = 1.00: * HB2 SER 13 + H SER 13 OK 100 100 - 100 - 4.0=100 HB2 SER 35 - H SER 13 OK 15 93 - 16 - 1.8/800=4, 1890=3...(7) HA GLU 15 - H SER 13 poor 9 81 - 11 - 23/4.6=5, 1888/2.9=2 HA ARG 53 - H SER 13 lone 8 89 - 9 - 1888/2.9=2, ~8691=1...(4) HA THR 33 - H SER 13 lone 5 97 - 5 - 1890=1, 5440/4.6=1 HB3 ASN 79 - H SER 13 lone 5 95 - 5 - HB THR 33 - H SER 13 lone 4 98 - 4 - HA THR 19 - H SER 13 lone 3 63 - 5 - 23/4.6=1, ~5949=1 HB THR 95 - H SER 13 lone 2 85 - 3 - HA3 GLY 104 - H SER 13 lone 2 92 - 2 - HB3 SER 112 - H SER 13 lone 2 83 - 2 - HB2 SER 112 - H SER 13 lone 2 78 - 2 - Peak 800 from nnoeabs.peaks (3.76, 8.50, 116.08 ppm; 4.40 A): 1 out of 10 assignments used, quality = 1.00: * HB3 SER 13 + H SER 13 OK 100 100 - 100 - 4.0=100 HA GLU 38 - H SER 13 OK 23 99 - 24 - 24/4.6=6, 6003=5...(6) HB3 SER 35 - H SER 13 OK 18 99 - 18 - 1894=4, 1.8/799=4...(7) HD2 PRO 30 - H SER 13 OK 13 100 - 12 - 3.0/5513=2, 2.3/5515=1...(7) HA CYS 87 - H SER 13 lone 5 99 - 5 - 24/4.6=1 HA LEU 54 - H SER 13 lone 4 89 - 5 - ~1623=1 HB3 SER 74 - H SER 13 lone 4 89 - 4 - 3.0/6086=1 HB2 SER 74 - H SER 13 lone 4 87 - 4 - 3.0/6086=1 HA GLU 73 - H SER 13 lone 4 81 - 5 - 6084=1 HB2 SER 72 - H SER 13 lone 3 96 - 3 - Peak 801 from nnoeabs.peaks (8.84, 8.84, 126.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 14 + H ALA 14 OK 100 100 - 100 Peak 802 from nnoeabs.peaks (4.02, 8.84, 126.92 ppm; 3.74 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 14 + H ALA 14 OK 100 100 - 100 - 3.0=100 HA PHE 107 - H ALA 14 OK 30 92 - 33 - 5858=6, 3.7/4764=5...(11) HD3 PRO 37 - H ALA 14 OK 30 78 - 39 - 1902/2.9=5, ~6307=5...(17) HA GLN 16 - H ALA 14 OK 24 97 - 25 - 1902/2.9=5, 26/4.6=4...(9) HA ARG 81 - H ALA 14 lone 4 60 - 7 - 6138/4.6=1 HA TYR 102 - H ALA 14 lone 4 71 - 5 - HA THR 62 - H ALA 14 lone 2 65 - 3 - Peak 803 from nnoeabs.peaks (1.47, 8.84, 126.92 ppm; 3.06 A): 1 out of 17 assignments used, quality = 1.00: * QB ALA 14 + H ALA 14 OK 100 100 - 100 - 2.9=100 HB2 LEU 93 - H ALA 14 lone 10 100 - 10 - 3.1/6294=2, 1900/3.0=2 HD2 LYS 46 - H ALA 14 lone 7 99 - 7 - 1900/3.0=2 HG3 ARG 57 - H ALA 14 lone 6 100 - 6 - HG LEU 93 - H ALA 14 lone 6 65 - 10 - 2.1/6294=2, ~6298=1 HG2 LYS 119 - H ALA 14 lone 5 100 - 5 - HB3 GLU 75 - H ALA 14 lone 5 92 - 6 - HG2 LYS 109 - H ALA 14 lone 5 92 - 5 - 4.7/544=2 HG LEU 24 - H ALA 14 lone 4 92 - 5 - HB3 LEU 101 - H ALA 14 lone 4 68 - 6 - HG LEU 91 - H ALA 14 lone 3 73 - 4 - HG3 LYS 31 - H ALA 14 lone 3 100 - 3 - HB3 LEU 45 - H ALA 14 lone 2 92 - 2 - HB3 LEU 58 - H ALA 14 lone 2 78 - 2 - HD2 LYS 65 - H ALA 14 lone 1 78 - 1 - HD3 LYS 65 - H ALA 14 lone 1 78 - 1 - QB ALA 89 - H ALA 14 lone 1 71 - 1 - Peak 804 from nnoeabs.peaks (8.77, 8.77, 119.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 15 + H GLU 15 OK 100 100 - 100 Peak 805 from nnoeabs.peaks (3.85, 8.77, 119.55 ppm; 3.77 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 15 + H GLU 15 OK 100 100 - 100 - 3.0=100 HA THR 19 - H GLU 15 OK 34 99 - 34 - ~5959=5, 1911/4.0=4...(12) HB2 SER 13 - H GLU 15 OK 17 81 - 21 - 4.5/25=15, 1911/4.0=1 HA LEU 77 - H GLU 15 OK 16 96 - 17 - 4.0/7341=4, 8340/4.0=2...(5) HA THR 116 - H GLU 15 OK 16 83 - 19 - 3.0/1539=4, ~5959=3...(8) HA LYS 119 - H GLU 15 lone 8 89 - 9 - 4.0/27=1 HA THR 33 - H GLU 15 lone 7 97 - 7 - HB THR 33 - H GLU 15 lone 5 96 - 5 - HA3 GLY 104 - H GLU 15 lone 5 99 - 5 - HB2 SER 35 - H GLU 15 lone 5 99 - 5 - 5440/4.6=1 Peak 806 from nnoeabs.peaks (2.09, 8.77, 119.55 ppm; 3.36 A): 3 out of 13 assignments used, quality = 0.94: * HB2 GLU 15 + H GLU 15 OK 85 100 - 85 - 4.0=57, 1.8/807=21...(13) HB3 GLN 16 + H GLU 15 OK 36 99 - 36 - 4.0/28=12, 4.1/1539=6...(12) HB2 GLN 16 + H GLU 15 OK 36 99 - 36 - 4.0/28=12, 4.1/1539=6...(12) HB3 PRO 70 - H GLU 15 OK 26 89 - 29 - 1.8/809=5, 2.3/808=4...(10) HB2 LEU 101 - H GLU 15 OK 14 95 - 15 - 4.0/1728=3, 1.8/27=2...(5) HG3 GLU 69 - H GLU 15 OK 13 100 - 13 - 1.8/807=3, 3787/4.0=2...(6) HB3 GLU 38 - H GLU 15 poor 8 65 - 12 - 6309/3.7=3, 3.0/809=2...(4) HB2 ARG 57 - H GLU 15 lone 8 92 - 8 - 3.0/27=1, 6309/3.7=1 HB ILE 63 - H GLU 15 lone 5 76 - 7 - 4.0/1430=2, 3505/4.6=1 HG2 GLU 64 - H GLU 15 lone 5 92 - 5 - HB2 LEU 114 - H GLU 15 lone 4 100 - 4 - HG LEU 21 - H GLU 15 lone 4 100 - 4 - HB2 GLN 105 - H GLU 15 lone 3 97 - 3 - Peak 807 from nnoeabs.peaks (2.14, 8.77, 119.55 ppm; 3.43 A): 5 out of 5 assignments used, quality = 0.92: * HB3 GLU 15 + H GLU 15 OK 86 100 - 86 - 4.0=61, 1.8/1910=24...(11) HB2 PRO 30 + H GLU 15 OK 14 100 - 14 - 1907/3.0=3, 1913/4.0=2...(7) HB VAL 115 + H GLU 15 OK 14 100 - 14 - 1907/3.0=4, 4.4/1539=2...(7) HG2 GLU 69 + H GLU 15 OK 14 96 - 15 - 1907/3.0=3, 1913/4.0=3...(7) HG12 ILE 80 + H GLU 15 OK 10 68 - 15 - 1916=3, 1907/3.0=3...(9) Peak 808 from nnoeabs.peaks (2.37, 8.77, 119.55 ppm; 3.65 A): 3 out of 9 assignments used, quality = 0.94: * HG2 GLU 15 + H GLU 15 OK 87 100 - 87 - 4.6=49, 1.8/1928=24...(12) HB VAL 18 + H GLU 15 OK 37 97 - 38 - 5957/3.0=8, ~6320=7...(12) HG2 PRO 70 + H GLU 15 OK 27 85 - 33 - 5957/3.0=6, 2.3/809=5...(11) HG3 GLN 16 - H GLU 15 OK 21 60 - 36 - 4.9/28=11, 5.0/1539=6...(11) HB3 GLU 82 - H GLU 15 poor 9 63 - 15 - 3.7/1430=4, 3.0/6140=3...(4) HB2 GLU 82 - H GLU 15 poor 9 63 - 15 - 3.7/1430=4, 3.0/6140=3...(4) HB2 GLN 103 - H GLU 15 lone 6 100 - 6 - 1908/3.0=1 HG2 MET 11 - H GLU 15 lone 3 97 - 3 - HB3 ASN 118 - H GLU 15 lone 2 92 - 3 - Peak 809 from nnoeabs.peaks (2.25, 8.77, 119.55 ppm; 3.88 A): 2 out of 13 assignments used, quality = 0.95: * HG3 GLU 15 + H GLU 15 OK 92 100 - 92 - 4.6=59, 1.8/1922=30...(12) HB2 PRO 70 + H GLU 15 OK 40 99 - 41 - 1909/3.0=7, 1915/4.0=7...(12) HG3 GLU 38 - H GLU 15 OK 20 97 - 21 - 6711/3.7=5, 6716/3.6=4...(9) HG2 GLU 38 - H GLU 15 OK 20 97 - 21 - 6711/3.7=5, 6716/3.6=4...(9) HB3 LEU 117 - H GLU 15 OK 12 87 - 14 - 1.8/8666=2, 1909/3.0=2...(8) HG2 GLU 56 - H GLU 15 OK 11 100 - 11 - 33/4.6=2, 1909/3.0=1, 3.0/8666=1 HG3 GLU 64 - H GLU 15 lone 7 93 - 7 - 1909/3.0=1 HB2 CYS 87 - H GLU 15 lone 5 87 - 6 - HG3 GLU 28 - H GLU 15 lone 4 85 - 4 - HB2 PRO 68 - H GLU 15 lone 3 89 - 4 - HG2 GLU 28 - H GLU 15 lone 3 81 - 4 - HG2 GLU 94 - H GLU 15 lone 3 96 - 3 - HG3 GLU 94 - H GLU 15 lone 2 87 - 3 - Peak 810 from nnoeabs.peaks (8.45, 8.45, 118.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 16 + H GLN 16 OK 100 100 - 100 Peak 811 from nnoeabs.peaks (4.03, 8.45, 118.13 ppm; 3.77 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 16 + H GLN 16 OK 100 100 - 100 - 3.0=100 HA ALA 14 + H GLN 16 OK 46 97 - 47 - 3.6/28=18, 5951/4.6=9...(13) HD3 PRO 37 - H GLN 16 OK 15 97 - 15 - 26/4.6=3, 1967/4.9=1, ~2691=1 HA TYR 102 - H GLN 16 OK 12 93 - 13 - 4686=1, 1967/4.9=1 HA LYS 109 - H GLN 16 lone 6 83 - 7 - 7837=1 HA SER 112 - H GLN 16 lone 5 68 - 7 - HA PHE 107 - H GLN 16 lone 3 68 - 4 - 26/4.6=1 HA LEU 55 - H GLN 16 lone 2 73 - 3 - Peak 812 from nnoeabs.peaks (2.08, 8.45, 118.13 ppm; 3.20 A): 3 out of 15 assignments used, quality = 0.98: HB3 GLN 16 + H GLN 16 OK 76 100 - 76 - 4.0=49, 3.0/1966=14...(13) * HB2 GLN 16 + H GLN 16 OK 76 100 - 76 - 4.0=49, 3.0/1966=14...(13) HB2 GLU 15 + H GLN 16 OK 64 99 - 65 - 4.6=35, 1.8/31=15...(11) HB ILE 63 - H GLN 16 OK 16 92 - 17 - 3505=3, 2.1/3512=2...(7) HB2 GLN 105 - H GLN 16 OK 12 100 - 12 - 3.0/814=2, 3.0/814=2...(4) HB3 PRO 70 - H GLN 16 poor 10 71 - 14 - 1.8/33=3, 1906/3.6=3...(5) HG3 GLU 69 - H GLN 16 lone 9 96 - 9 - 1.8/31=2, 1906/3.6=1, 3787/4.6=1 HB2 LEU 101 - H GLN 16 lone 7 81 - 9 - 1906/3.6=1 HB2 LEU 114 - H GLN 16 lone 6 100 - 6 - HG3 PRO 37 - H GLN 16 lone 6 60 - 10 - 6701/4.6=3, 2.3/811=2 HB2 ARG 57 - H GLN 16 lone 6 99 - 6 - HG2 GLU 64 - H GLN 16 lone 5 99 - 5 - HB3 GLU 38 - H GLN 16 lone 5 85 - 6 - 3.0/33=1, 3.0/33=1 HG LEU 21 - H GLN 16 lone 4 100 - 4 - HB3 ARG 81 - H GLN 16 lone 4 65 - 7 - 4.0/1484=2, 3.0/5745=2 Peak 813 from nnoeabs.peaks (2.08, 8.45, 118.13 ppm; 3.20 A): 3 out of 14 assignments used, quality = 0.98: * HB3 GLN 16 + H GLN 16 OK 76 100 - 76 - 4.0=49, 3.0/1966=14...(13) HB2 GLN 16 + H GLN 16 OK 76 100 - 76 - 4.0=49, 3.0/1966=14...(13) HB2 GLU 15 + H GLN 16 OK 64 99 - 65 - 4.6=35, 1.8/31=15...(11) HB ILE 63 - H GLN 16 OK 15 90 - 17 - 3505=3, 2.1/3512=2...(7) HB2 GLN 105 - H GLN 16 OK 12 100 - 12 - 3.0/814=2, 3.0/814=2...(4) HB3 PRO 70 - H GLN 16 OK 10 73 - 14 - 1.8/33=3, 1906/3.6=3...(5) HG3 GLU 69 - H GLN 16 lone 9 97 - 9 - 1.8/31=2, 1906/3.6=1, 3787/4.6=1 HB2 LEU 101 - H GLN 16 lone 7 83 - 9 - 1906/3.6=1 HB2 LEU 114 - H GLN 16 lone 6 100 - 6 - HB2 ARG 57 - H GLN 16 lone 5 99 - 6 - HG2 GLU 64 - H GLN 16 lone 5 99 - 5 - HB3 GLU 38 - H GLN 16 lone 5 83 - 6 - 3.0/33=1, 3.0/33=1 HG LEU 21 - H GLN 16 lone 4 100 - 4 - HB3 ARG 81 - H GLN 16 lone 4 63 - 7 - 4.0/1484=2, 3.0/5745=2 Peak 814 from nnoeabs.peaks (2.30, 8.45, 118.13 ppm; 4.18 A): 4 out of 7 assignments used, quality = 0.95: * HG2 GLN 16 + H GLN 16 OK 90 100 - 90 - 4.9=62, 1.8/1966=29...(9) HG2 GLN 105 + H GLN 16 OK 23 78 - 29 - 1938/3.0=5, 1958=4...(12) HG3 GLN 105 + H GLN 16 OK 22 76 - 29 - 1938/3.0=5, 1958=4...(12) HG3 GLU 56 + H GLN 16 OK 18 97 - 18 - 8303=4, 1.8/33=3...(5) HB3 PRO 60 - H GLN 16 lone 6 92 - 7 - 1938/3.0=1 HB VAL 120 - H GLN 16 lone 6 99 - 6 - 1938/3.0=1 HB2 LEU 54 - H GLN 16 lone 2 68 - 3 - Peak 815 from nnoeabs.peaks (2.40, 8.45, 118.13 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.89: * HG3 GLN 16 + H GLN 16 OK 81 100 - 81 - 4.9=46, 1.8/1958=19...(10) HG2 GLU 15 + H GLN 16 OK 41 60 - 68 - 3.0/31=17, 1.8/5448=16...(16) HB2 GLN 103 - H GLN 16 lone 5 71 - 7 - 1939/3.0=1 HG2 MET 11 - H GLN 16 lone 5 85 - 5 - 1939/3.0=1 Peak 818 from nnoeabs.peaks (7.99, 7.99, 118.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H THR 17 + H THR 17 OK 100 100 - 100 H THR 116 + H THR 116 OK 46 46 - 100 Peak 819 from nnoeabs.peaks (4.23, 7.99, 118.31 ppm; 3.57 A): 1 out of 24 assignments used, quality = 1.00: * HA THR 17 + H THR 17 OK 100 100 - 100 - 3.0=100 HB THR 19 - H THR 17 OK 32 93 - 35 - 5963/3.6=9, 2010=6...(14) HA SER 13 - H THR 17 OK 27 85 - 32 - 4.9/5951=7, 5949=7...(10) HA VAL 26 - H THR 17 OK 23 93 - 25 - 5949=5, 8182/5.0=5...(9) HA THR 17 - H THR 116 OK 20 72 - 28 - 7975/4.3=5, 3.0/820=5...(7) HB THR 19 - H THR 116 OK 17 62 - 28 - 2010=7, 2.1/2014=5...(10) HA ILE 22 - H THR 17 OK 15 85 - 18 - ~5966=2, 1983/4.0=2...(7) HA ILE 22 - H THR 116 OK 11 55 - 19 - 7975/4.3=4, 2145/4.3=2...(8) HA CYS 52 - H THR 17 lone 8 95 - 9 - ~6343=2, 1983/4.0=1, 1979/4.0=1 HA LEU 58 - H THR 116 lone 5 55 - 9 - 5645/4.6=2, 3.6/1519=1 HA LEU 58 - H THR 17 lone 4 85 - 5 - HA3 GLY 48 - H THR 116 lone 4 64 - 6 - 8423/3.6=1 HA SER 13 - H THR 116 lone 4 55 - 7 - 4.9/5951=2, 7975/4.3=2, 5949=1 HA VAL 66 - H THR 17 lone 3 83 - 4 - HA3 GLY 48 - H THR 17 lone 3 95 - 3 - HA ALA 89 - H THR 17 lone 3 99 - 3 - HA ALA 89 - H THR 116 lone 3 69 - 4 - HA VAL 26 - H THR 116 lone 2 62 - 4 - HA GLU 64 - H THR 17 lone 2 71 - 2 - HA CYS 52 - H THR 116 lone 2 64 - 3 - 7975/4.3=1 HA LEU 126 - H THR 17 lone 1 68 - 2 - HA VAL 66 - H THR 116 lone 1 53 - 2 - HA GLU 64 - H THR 116 lone 1 44 - 1 - HA LEU 126 - H THR 116 lone 1 42 - 1 - Peak 820 from nnoeabs.peaks (4.33, 7.99, 118.31 ppm; 3.25 A): 3 out of 10 assignments used, quality = 0.82: * HB THR 17 + H THR 17 OK 75 100 - 75 - 4.0=52, 2.8/8467=20...(9) HB THR 17 + H THR 116 OK 19 72 - 26 - 2.8/8467=6, 1978=5...(6) HA PHE 40 + H THR 17 OK 11 97 - 11 - 6019/4.0=3, 1976/3.0=3, 44/4.7=3 HA ASP 100 - H THR 17 lone 4 76 - 5 - HA CYS 76 - H THR 17 lone 3 60 - 5 - ~6343=1, 1976/3.0=1 HA PHE 40 - H THR 116 lone 2 67 - 3 - 7976/4.3=1 HA CYS 76 - H THR 116 lone 1 36 - 4 - 7976/4.3=1, 6105/4.6=1 HA ASP 100 - H THR 116 lone 1 47 - 2 - HB2 SER 78 - H THR 17 lone 1 60 - 1 - HB2 SER 78 - H THR 116 lone 0 36 - 1 - Peak 821 from nnoeabs.peaks (1.33, 7.99, 118.31 ppm; 3.69 A): 2 out of 18 assignments used, quality = 0.94: * QG2 THR 17 + H THR 17 OK 91 100 - 91 - 4.0=78, 2.1/820=25...(10) QG2 THR 17 + H THR 116 OK 29 72 - 40 - 1982=8, 3.0/8467=7...(10) HG3 LYS 119 - H THR 116 OK 24 68 - 36 - 7964/4.3=4, 5231/3.0=4...(18) QB ALA 43 - H THR 17 OK 13 100 - 13 - 6020/4.0=6, 1977/3.0=3, 45/4.7=2 HG2 LYS 46 - H THR 17 OK 11 100 - 11 - 1977/3.0=2, 1981/4.0=2...(4) HG3 LYS 46 - H THR 17 OK 11 100 - 11 - 1977/3.0=2, 1981/4.0=2...(4) HG3 LYS 46 - H THR 116 OK 10 72 - 14 - 7977/4.3=3, 7964/4.3=3...(4) HG2 LYS 46 - H THR 116 OK 10 72 - 14 - 7977/4.3=3, 7964/4.3=3...(4) HB3 LEU 84 - H THR 17 lone 8 85 - 9 - 1977/3.0=2, 45/4.7=2...(4) QB ALA 43 - H THR 116 poor 8 71 - 11 - 7977/4.3=2, 6809/3.6=2...(4) QG2 THR 23 - H THR 17 lone 6 96 - 6 - 1977/3.0=2, 4.0/1539=1 HG3 LYS 119 - H THR 17 lone 6 98 - 6 - HB3 LEU 59 - H THR 116 lone 5 58 - 9 - 3403/4.6=3, 3.7/1519=1 HB3 LEU 59 - H THR 17 lone 3 89 - 4 - HB3 LEU 84 - H THR 116 lone 3 55 - 5 - HG CYS 87 - H THR 17 lone 3 90 - 3 - QG2 THR 23 - H THR 116 lone 2 65 - 4 - HG CYS 87 - H THR 116 lone 1 59 - 2 - Peak 822 from nnoeabs.peaks (8.59, 8.59, 122.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 18 + H VAL 18 OK 100 100 - 100 Peak 823 from nnoeabs.peaks (3.48, 8.59, 122.52 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 18 + H VAL 18 OK 100 100 - 100 - 3.0=100 HD3 PRO 70 - H VAL 18 OK 34 85 - 40 - 2.3/824=7, 1997/4.0=5...(14) HA LEU 84 - H VAL 18 OK 17 81 - 20 - 3.0/45=3, 8461/4.4=2...(8) HB3 SER 44 - H VAL 18 OK 13 87 - 15 - 2875/3.0=2, 1997/4.0=2...(7) HB2 SER 44 - H VAL 18 poor 10 76 - 13 - 2872/3.0=2, ~2875=1...(5) Peak 824 from nnoeabs.peaks (2.36, 8.59, 122.52 ppm; 3.24 A): 3 out of 9 assignments used, quality = 0.87: * HB VAL 18 + H VAL 18 OK 76 100 - 76 - 4.0=55, 2.1/825=19...(8) HG2 PRO 70 + H VAL 18 OK 29 98 - 30 - 2.3/823=5, 1988/3.0=5...(12) HG2 GLU 15 + H VAL 18 OK 24 97 - 25 - 4.1/5956=10, 48/4.6=3...(9) HG2 MET 11 - H VAL 18 lone 5 83 - 6 - 1991=1, 1988/3.0=1 HB3 GLU 82 - H VAL 18 lone 5 87 - 5 - HB2 GLU 82 - H VAL 18 lone 5 87 - 5 - HB3 ASN 118 - H VAL 18 lone 4 100 - 4 - HB2 GLN 103 - H VAL 18 lone 4 93 - 4 - HB2 LEU 54 - H VAL 18 lone 1 65 - 2 - Peak 825 from nnoeabs.peaks (1.21, 8.59, 122.52 ppm; 3.15 A): 4 out of 6 assignments used, quality = 0.86: * QG2 VAL 18 + H VAL 18 OK 77 100 - 78 - 4.0=49, 2.1/1991=18...(12) HB3 LEU 111 + H VAL 18 OK 15 99 - 15 - 1989/3.0=2, 49/4.6=2...(7) HB3 LEU 24 + H VAL 18 OK 14 95 - 14 - 1989/3.0=4, 1994/4.0=3...(5) HB2 LEU 77 + H VAL 18 OK 13 92 - 14 - 1989/3.0=3, 1994/4.0=2...(5) HG2 LYS 32 - H VAL 18 lone 8 97 - 8 - 5.0/1446=2, 1989/3.0=1 HG LEU 77 - H VAL 18 lone 6 63 - 9 - 1989/3.0=1, 4013/4.0=1 Peak 826 from nnoeabs.peaks (0.98, 8.59, 122.52 ppm; 3.81 A): 1 out of 9 assignments used, quality = 0.95: * QG1 VAL 18 + H VAL 18 OK 95 100 - 95 - 4.0=86, 2.1/1991=26...(12) QD2 LEU 58 - H VAL 18 OK 27 98 - 28 - 2001=6, 2002/3.0=5...(7) QD1 LEU 58 - H VAL 18 OK 22 89 - 25 - 2.1/2001=5, 1990/3.0=4...(8) HB3 LEU 27 - H VAL 18 OK 20 78 - 26 - ~6532=5, 3.1/6354=4...(9) QD1 LEU 101 - H VAL 18 OK 16 100 - 16 - 1990/3.0=3, 2000/4.0=2...(6) HG3 LYS 65 - H VAL 18 lone 5 100 - 5 - 2000/4.0=1 HG2 LYS 65 - H VAL 18 lone 5 100 - 5 - 2000/4.0=1 QG2 THR 95 - H VAL 18 lone 4 97 - 5 - QG2 ILE 124 - H VAL 18 lone 3 65 - 4 - Peak 827 from nnoeabs.peaks (8.02, 8.02, 113.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 19 + H THR 19 OK 100 100 - 100 Peak 828 from nnoeabs.peaks (3.84, 8.02, 113.87 ppm; 3.48 A): 2 out of 12 assignments used, quality = 1.00: * HA THR 19 + H THR 19 OK 100 100 - 100 - 3.0=100 HA GLU 15 + H THR 19 OK 49 99 - 50 - 5956/4.6=10, 5959=9...(15) HA THR 116 - H THR 19 OK 36 95 - 38 - 3.2/5126=5, 3.0/5122=5...(18) HA LEU 77 - H THR 19 OK 16 100 - 16 - 3.0/49=3, 3992/4.3=3...(7) HA LYS 119 - H THR 19 OK 16 97 - 16 - 2015/4.0=2, 2011/4.0=2, ~6250=1 HA THR 33 - H THR 19 OK 12 87 - 14 - 3.6/46=5, 5535/4.6=2...(5) HB THR 33 - H THR 19 OK 11 85 - 12 - 4.6/46=4, 5536/4.6=3...(4) HA3 GLY 104 - H THR 19 lone 3 95 - 3 - HB2 SER 35 - H THR 19 lone 3 93 - 3 - HB2 SER 13 - H THR 19 lone 3 63 - 5 - 3.0/1548=1 HB3 SER 29 - H THR 19 lone 1 57 - 2 - HA3 GLY 88 - H THR 19 lone 1 60 - 2 - Peak 829 from nnoeabs.peaks (4.25, 8.02, 113.87 ppm; 3.26 A): 4 out of 11 assignments used, quality = 0.84: * HB THR 19 + H THR 19 OK 71 100 - 71 - 4.0=52, 2.1/2014=15...(10) HA THR 17 + H THR 19 OK 30 93 - 32 - 3.5/46=13, 5966/4.6=6...(8) HA LEU 58 + H THR 19 OK 12 100 - 12 - 4.0/50=3, 4.0/50=2...(4) HA3 GLY 48 + H THR 19 OK 10 100 - 10 - 6887/3.0=3, ~6893=2, 2016/4.0=2 HA GLN 103 - H THR 19 lone 3 65 - 5 - 3.0/48=1 HA ALA 89 - H THR 19 lone 3 99 - 3 - HA GLU 64 - H THR 19 lone 2 97 - 2 - HA VAL 26 - H THR 19 lone 2 63 - 3 - HA ALA 122 - H THR 19 lone 2 76 - 2 - HA CYS 52 - H THR 19 lone 1 65 - 2 - HA GLU 94 - H THR 19 lone 1 76 - 2 - Peak 830 from nnoeabs.peaks (1.26, 8.02, 113.87 ppm; 3.71 A): 2 out of 8 assignments used, quality = 0.93: * QG2 THR 19 + H THR 19 OK 90 100 - 90 - 4.0=80, 2.1/2010=21...(6) QG2 THR 116 + H THR 19 OK 31 96 - 33 - 5126=10, 2.1/5122=6...(9) QG2 ILE 80 - H THR 19 OK 20 97 - 21 - 7408/3.0=4, 8351/4.0=3...(7) QD1 ILE 80 - H THR 19 OK 20 97 - 21 - 7411/3.0=5, 2013/4.0=3...(6) HG LEU 77 - H THR 19 OK 11 73 - 14 - 3.0/49=3, 4013/4.3=2...(6) HG3 LYS 32 - H THR 19 lone 9 100 - 9 - 1.8/49=2, 2529/4.3=1 HG13 ILE 124 - H THR 19 lone 2 87 - 3 - HG LEU 54 - H THR 19 lone 2 71 - 3 - Peak 831 from nnoeabs.peaks (8.28, 8.28, 125.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 20 + H TRP 20 OK 100 100 - 100 Peak 832 from nnoeabs.peaks (4.60, 8.28, 125.58 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 20 + H TRP 20 OK 100 100 - 100 - 3.0=100 HA GLU 69 - H TRP 20 OK 39 89 - 44 - 3759=6, 3.0/3771=6...(16) HA LEU 45 - H TRP 20 OK 22 100 - 22 - 2039/4.0=4, 2029/4.0=4...(9) HA ASP 47 - H TRP 20 OK 10 90 - 11 - 3759=2, 6379/4.2=1...(4) Peak 833 from nnoeabs.peaks (3.70, 8.28, 125.58 ppm; 3.35 A): 3 out of 5 assignments used, quality = 0.85: * HB2 TRP 20 + H TRP 20 OK 80 100 - 80 - 4.0=58, 1.8/834=28...(7) HD3 PRO 30 + H TRP 20 OK 14 92 - 15 - 2020/3.0=4, 2040/4.0=3...(5) HA3 GLY 86 + H TRP 20 OK 10 90 - 11 - 57/4.7=2, 2020/3.0=2...(4) HA2 GLY 104 - H TRP 20 lone 6 98 - 5 - 2020/3.0=1 HB3 SER 90 - H TRP 20 lone 1 63 - 1 - Peak 834 from nnoeabs.peaks (3.22, 8.28, 125.58 ppm; 3.30 A): 1 out of 5 assignments used, quality = 0.78: * HB3 TRP 20 + H TRP 20 OK 78 100 - 78 - 4.0=56, 1.8/833=25...(7) HA GLN 42 - H TRP 20 lone 9 97 - 9 - 2021/3.0=3, 2031/4.0=2...(4) HD2 ARG 71 - H TRP 20 lone 5 100 - 5 - 2021/3.0=2, 2031/4.0=1 HB3 PHE 83 - H TRP 20 lone 4 92 - 5 - 2021/3.0=1 HD2 ARG 81 - H TRP 20 lone 2 76 - 3 - Peak 835 from nnoeabs.peaks (7.29, 8.28, 125.58 ppm; 4.78 A): 3 out of 4 assignments used, quality = 0.94: * HD1 TRP 20 + H TRP 20 OK 92 100 - 93 - 5.6=62, 2022/3.0=33...(8) HZ PHE 40 + H TRP 20 OK 15 100 - 15 - 2022/3.0=4, 2032/4.0=4 QD PHE 96 + H TRP 20 OK 12 90 - 13 - 2022/3.0=3, 2042/4.0=2 HE ARG 57 - H TRP 20 lone 4 71 - 5 - Peak 836 from nnoeabs.peaks (7.55, 8.28, 125.58 ppm; 4.32 A): 4 out of 4 assignments used, quality = 0.83: * HE3 TRP 20 + H TRP 20 OK 73 99 - 73 - 6.0=37, 4.2/834=24...(8) H CYS 52 + H TRP 20 OK 17 90 - 18 - 60/4.7=5, 2043/4.0=4...(5) H CYS 76 + H TRP 20 OK 15 99 - 15 - 2033/4.0=3, 60/4.7=3...(4) H SER 113 + H TRP 20 OK 11 76 - 14 - 3.6/1556=2, 4.6/51=2...(6) Peak 841 from nnoeabs.peaks (8.21, 8.21, 116.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 21 + H LEU 21 OK 100 100 - 100 Peak 842 from nnoeabs.peaks (3.38, 8.21, 116.61 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 21 + H LEU 21 OK 100 100 - 100 - 3.0=100 HA VAL 50 - H LEU 21 OK 38 99 - 39 - 2113/3.8=7, 2134/4.7=6...(11) HA2 GLY 86 - H LEU 21 OK 16 65 - 24 - 1.8/57=6, 3.6/1436=5...(10) HB3 PHE 40 - H LEU 21 lone 3 63 - 5 - Peak 843 from nnoeabs.peaks (1.93, 8.21, 116.61 ppm; 3.60 A): 2 out of 19 assignments used, quality = 0.96: * HB2 LEU 21 + H LEU 21 OK 94 100 - 94 - 3.8=83, 3.1/847=18...(13) HB ILE 22 + H LEU 21 OK 39 89 - 44 - 3.9/65=15, 4.4/1569=12...(11) HG LEU 58 - H LEU 21 OK 24 99 - 24 - 7068/4.7=6, 8506/4.7=4...(10) HB3 GLU 69 - H LEU 21 OK 21 89 - 24 - 3772/3.6=4, 3.0/56=4...(7) HB2 LEU 84 - H LEU 21 OK 17 76 - 23 - 3.0/1560=4, 4.3/1562=4...(10) HB ILE 80 - H LEU 21 OK 12 100 - 12 - 2114/3.8=2, 2100/3.0=2...(6) HB3 MET 11 - H LEU 21 poor 10 97 - 10 - 8595=2, 3.0/1838=1...(5) HB2 ARG 85 - H LEU 21 lone 7 81 - 9 - 4.0/1562=4 HB3 ARG 85 - H LEU 21 lone 7 81 - 9 - 4.0/1562=4 HB3 GLU 64 - H LEU 21 lone 7 98 - 7 - 3.0/845=1 HB2 GLU 64 - H LEU 21 lone 7 97 - 7 - 3.0/845=1 HB3 PRO 30 - H LEU 21 lone 7 81 - 9 - 3.0/57=3, 2380/4.5=2 HB3 LYS 119 - H LEU 21 lone 7 89 - 8 - 3.0/1558=1, 8034/3.8=1 HB2 GLU 38 - H LEU 21 lone 6 92 - 7 - HB3 GLU 73 - H LEU 21 lone 5 92 - 5 - HB2 ARG 81 - H LEU 21 lone 4 87 - 5 - HB2 GLU 28 - H LEU 21 lone 3 78 - 4 - HB2 LYS 109 - H LEU 21 lone 3 97 - 3 - HB3 GLU 94 - H LEU 21 lone 1 65 - 1 - Peak 844 from nnoeabs.peaks (1.05, 8.21, 116.61 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 21 + H LEU 21 OK 100 100 - 100 - 3.8=100 QD2 LEU 101 - H LEU 21 OK 30 87 - 35 - 2101/3.0=6, 2108/3.8=5...(12) HG13 ILE 34 - H LEU 21 OK 17 95 - 17 - 2101/3.0=4, 2108/3.8=3...(7) QG2 THR 33 - H LEU 21 OK 14 100 - 14 - 2101/3.0=2, 68/4.6=2...(8) QG1 VAL 120 - H LEU 21 OK 12 85 - 15 - 2101/3.0=3, 2108/3.8=2...(6) Peak 845 from nnoeabs.peaks (2.08, 8.21, 116.61 ppm; 3.35 A): 7 out of 13 assignments used, quality = 0.91: * HG LEU 21 + H LEU 21 OK 76 100 - 76 - 4.7=36, 2.1/847=19...(14) HG3 GLU 69 + H LEU 21 OK 21 99 - 21 - 3784/3.6=3, 3783/4.7=3...(8) HB2 LEU 101 + H LEU 21 OK 20 89 - 23 - 3.1/844=4, 4657/3.8=4...(11) HB2 ARG 57 + H LEU 21 OK 12 97 - 13 - 8503/4.7=2, 2130/4.7=2...(6) HB2 LEU 114 + H LEU 21 OK 11 100 - 11 - 2102/3.0=1, 2137/4.7=1 HB3 GLN 16 + H LEU 21 OK 10 100 - 10 - 6380/4.7=2, 6339/6346=1 HB2 GLN 16 + H LEU 21 OK 10 100 - 10 - 6380/4.7=2, 6339/6346=1 HB2 GLU 15 - H LEU 21 lone 10 100 - 10 - 3.0/1558=2 HB ILE 63 - H LEU 21 poor 10 85 - 11 - ~7154=2, 3.2/6400=2, 2102/3.0=1 HB3 PRO 70 - H LEU 21 poor 10 81 - 12 - 3.0/1560=4 HG2 GLU 64 - H LEU 21 lone 7 97 - 7 - HB3 GLU 38 - H LEU 21 lone 5 76 - 6 - HB2 GLN 105 - H LEU 21 lone 4 99 - 4 - Peak 846 from nnoeabs.peaks (0.65, 8.21, 116.61 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.95: * QD1 LEU 21 + H LEU 21 OK 87 100 - 87 - 4.7=51, 2.1/847=24...(13) QD2 LEU 24 + H LEU 21 OK 63 98 - 64 - ~6403=15, ~6466=10...(15) QG2 VAL 26 - H LEU 21 OK 25 60 - 42 - 8230=11, 8215/3.0=9...(11) QD1 LEU 45 - H LEU 21 OK 25 98 - 25 - 2913/3.6=3, 2103/3.0=3...(11) Peak 847 from nnoeabs.peaks (0.23, 8.21, 116.61 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.92: * QD2 LEU 21 + H LEU 21 OK 88 100 - 88 - 4.7=53, 2104/3.0=24...(14) QD1 LEU 54 + H LEU 21 OK 36 85 - 43 - 2104/3.0=11, 2118/3.8=7...(10) Peak 848 from nnoeabs.peaks (8.30, 8.30, 119.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 22 + H ILE 22 OK 100 100 - 100 Peak 849 from nnoeabs.peaks (4.21, 8.30, 119.46 ppm; 3.67 A): 1 out of 10 assignments used, quality = 1.00: * HA ILE 22 + H ILE 22 OK 100 100 - 100 - 3.0=100 HA VAL 26 - H ILE 22 OK 40 100 - 40 - 3.6/6541=11, ~6422=5...(16) HA THR 17 - H ILE 22 OK 20 85 - 23 - 5966=3, 1561/4.6=2...(11) HA VAL 66 - H ILE 22 OK 19 100 - 19 - 2155/4.0=3, 2148/3.9=3...(7) HA SER 13 - H ILE 22 OK 16 100 - 16 - 2155/4.0=2, 2148/3.9=2...(8) HA CYS 52 - H ILE 22 OK 14 99 - 14 - 6947/4.0=2, 2148/3.9=1 HA LEU 126 - H ILE 22 OK 11 99 - 11 - 2.9/644=2, 5387/4.0=1 HA3 GLY 61 - H ILE 22 lone 5 78 - 6 - HA ALA 89 - H ILE 22 lone 4 65 - 6 - 2.9/1712=2 HA PRO 68 - H ILE 22 lone 3 60 - 5 - Peak 850 from nnoeabs.peaks (1.91, 8.30, 119.46 ppm; 3.11 A): 3 out of 17 assignments used, quality = 0.93: * HB ILE 22 + H ILE 22 OK 78 100 - 78 - 3.9=49, 2.1/2154=12...(16) HB2 LEU 21 + H ILE 22 OK 55 89 - 62 - 4.6=31, 3.8/65=11...(11) HB2 LEU 84 + H ILE 22 OK 24 99 - 24 - 4.3/1437=5, 3.0/6150=4...(10) HB2 GLU 28 - H ILE 22 OK 16 100 - 16 - 6564/4.0=4, 1.8/852=2...(7) HB ILE 80 - H ILE 22 OK 14 95 - 15 - 3.2/6430=3, 2.1/6430=2 HG LEU 55 - H ILE 22 OK 14 71 - 19 - 2.1/7005=6, 2.1/851=2...(8) HG LEU 58 - H ILE 22 OK 13 76 - 17 - 7068/5.0=3, 2.1/7051=2...(6) HB3 GLU 73 - H ILE 22 OK 10 100 - 10 - 2.9/852=2, 2.9/852=2 HG LEU 84 - H ILE 22 OK 10 81 - 13 - 4.3/6150=3, 5766/4.6=2 HB3 MET 11 - H ILE 22 lone 8 99 - 8 - 4.1/65=3 HB2 LYS 119 - H ILE 22 lone 6 73 - 8 - 3.0/1565=2 HB VAL 50 - H ILE 22 lone 6 73 - 8 - 3.0/66=3, 3053/3.6=2 HB2 ARG 81 - H ILE 22 lone 5 100 - 5 - HB3 GLU 64 - H ILE 22 lone 3 68 - 4 - HB2 GLU 64 - H ILE 22 lone 2 63 - 4 - HB2 LYS 109 - H ILE 22 lone 2 63 - 4 - HB3 LYS 31 - H ILE 22 lone 2 73 - 3 - Peak 851 from nnoeabs.peaks (0.92, 8.30, 119.46 ppm; 3.35 A): 3 out of 11 assignments used, quality = 0.97: * QG2 ILE 22 + H ILE 22 OK 87 100 - 87 - 4.0=59, 2.1/2147=17...(17) QD2 LEU 27 + H ILE 22 OK 58 100 - 58 - 6537=9, 4.4/6541=7...(21) QD1 LEU 27 + H ILE 22 OK 52 100 - 52 - 2.1/6537=8, 4.4/6541=7...(20) QD1 LEU 55 - H ILE 22 OK 28 97 - 29 - 2.1/7005=7, 2143/3.0=3...(13) QG2 VAL 115 - H ILE 22 OK 24 100 - 24 - 7975/3.0=5, 2.1/853=4...(9) QD1 LEU 41 - H ILE 22 OK 20 99 - 21 - 2.1/852=3, 6538=2...(8) QD1 ILE 63 - H ILE 22 OK 19 89 - 21 - 7154/3.6=3, 7146/3.0=3...(5) QG2 VAL 49 - H ILE 22 lone 10 100 - 10 - 6402/3.6=1 QD1 LEU 126 - H ILE 22 lone 8 90 - 9 - 5411/3.0=1 QD1 LEU 117 - H ILE 22 lone 8 92 - 8 - HB2 GLN 42 - H ILE 22 lone 7 99 - 7 - Peak 852 from nnoeabs.peaks (1.85, 8.30, 119.46 ppm; 3.38 A): 6 out of 13 assignments used, quality = 0.88: * HG12 ILE 22 + H ILE 22 OK 76 100 - 76 - 5.0=30, 2.1/854=17...(13) HG LEU 41 + H ILE 22 OK 15 92 - 17 - 2144/3.0=2, 2.1/851=2...(8) HB3 GLU 28 + H ILE 22 OK 13 81 - 16 - 2158/4.0=3, 2151/3.9=3...(8) HG3 GLU 73 + H ILE 22 OK 12 99 - 13 - 2144/3.0=2, 2151/3.9=2...(7) HG2 GLU 73 + H ILE 22 OK 12 98 - 12 - 2144/3.0=2, 2151/3.9=2...(7) HB2 GLU 69 + H ILE 22 OK 11 93 - 12 - 3.0/1563=2, 4.8/1566=2...(5) HB2 LEU 58 - H ILE 22 poor 9 76 - 12 - 3.1/7051=3, 3.0/67=2...(5) HG3 ARG 53 - H ILE 22 poor 9 83 - 10 - 8288/3.6=3, 2144/3.0=1 HG13 ILE 63 - H ILE 22 poor 8 65 - 12 - 2.1/851=2, ~7146=2...(4) HG3 PRO 68 - H ILE 22 lone 4 81 - 5 - HB3 LYS 109 - H ILE 22 lone 4 89 - 4 - HB3 GLN 105 - H ILE 22 lone 2 60 - 4 - 4.0/1567=1 HB2 ARG 92 - H ILE 22 lone 1 65 - 1 - Peak 853 from nnoeabs.peaks (0.84, 8.30, 119.46 ppm; 3.55 A): 4 out of 8 assignments used, quality = 0.94: * HG13 ILE 22 + H ILE 22 OK 81 100 - 81 - 5.0=35, 2.1/2175=17...(14) QD2 LEU 55 + H ILE 22 OK 41 97 - 42 - 7005=10, 2145/3.0=5...(15) QG1 VAL 115 + H ILE 22 OK 27 99 - 27 - 2159/4.0=4, 2145/3.0=4...(9) QD1 LEU 59 + H ILE 22 OK 22 100 - 22 - 7005=3, 2145/3.0=3...(10) QD1 LEU 93 - H ILE 22 OK 17 98 - 17 - 2145/3.0=2, 2159/4.0=2...(7) QD2 LEU 114 - H ILE 22 OK 11 93 - 12 - 6411/5.0=2, 3.1/69=1, 2145/3.0=1 QD2 LEU 91 - H ILE 22 lone 6 78 - 7 - HB2 ASN 118 - H ILE 22 lone 4 90 - 4 - Peak 854 from nnoeabs.peaks (0.80, 8.30, 119.46 ppm; 3.51 A): 4 out of 7 assignments used, quality = 0.87: * QD1 ILE 22 + H ILE 22 OK 78 100 - 78 - 4.9=36, 2.1/852=15...(13) QD1 LEU 111 + H ILE 22 OK 25 100 - 25 - 2146/3.0=5, 2160/4.0=4...(8) QG1 VAL 115 + H ILE 22 OK 12 60 - 20 - ~7975=3, 2.1/851=3...(9) QD2 LEU 91 + H ILE 22 OK 11 92 - 11 - 2146/3.0=2, 2160/4.0=2...(6) QG2 VAL 66 - H ILE 22 poor 9 63 - 14 - 2146/3.0=3, 3.2/849=2...(8) QD1 LEU 93 - H ILE 22 poor 7 63 - 11 - 3.1/6429=2, 2146/3.0=1...(4) HB2 ASN 118 - H ILE 22 lone 4 81 - 5 - Peak 855 from nnoeabs.peaks (8.74, 8.74, 120.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 23 + H THR 23 OK 100 100 - 100 Peak 856 from nnoeabs.peaks (3.94, 8.74, 120.32 ppm; 3.64 A): 2 out of 10 assignments used, quality = 1.00: * HA THR 23 + H THR 23 OK 100 100 - 100 - 3.0=100 HA ARG 85 + H THR 23 OK 51 100 - 51 - 4274=16, 3.6/418=7...(15) HA2 GLY 25 - H THR 23 OK 39 100 - 39 - 3.0/6481=13, ~6445=6...(9) HB THR 62 - H THR 23 lone 7 83 - 9 - 7103/4.1=1, 3.9/72=1 HA ALA 43 - H THR 23 lone 6 93 - 7 - HD3 PRO 68 - H THR 23 lone 5 83 - 6 - 2.3/76=1 HD2 PRO 68 - H THR 23 lone 5 78 - 6 - 2.3/76=1 HA SER 74 - H THR 23 lone 4 93 - 4 - 6091/4.6=2 HA3 GLY 125 - H THR 23 lone 4 87 - 4 - 3.0/72=1 HA2 GLY 125 - H THR 23 lone 4 87 - 4 - 3.0/72=1 Peak 857 from nnoeabs.peaks (4.51, 8.74, 120.32 ppm; 3.35 A): 2 out of 5 assignments used, quality = 0.78: * HB THR 23 + H THR 23 OK 75 100 - 75 - 4.0=57, 2.1/2190=20...(6) HA LEU 27 + H THR 23 OK 13 81 - 16 - 6523/3.6=4, 2184/3.0=2...(6) HA LEU 91 - H THR 23 lone 6 98 - 6 - 3.9/78=1, 2184/3.0=1, 81/4.6=1 HA PRO 30 - H THR 23 lone 4 95 - 4 - HA LEU 101 - H THR 23 lone 1 76 - 2 - Peak 858 from nnoeabs.peaks (1.32, 8.74, 120.32 ppm; 3.46 A): 6 out of 9 assignments used, quality = 0.95: * QG2 THR 23 + H THR 23 OK 84 100 - 84 - 4.0=64, 2.1/857=26...(9) HB3 LEU 84 + H THR 23 OK 44 99 - 44 - 5765=7, 1.8/74=6...(13) QG2 THR 17 + H THR 23 OK 15 96 - 16 - 6346/1569=4, 6436/4.1=2...(6) HG3 LYS 46 + H THR 23 OK 12 96 - 13 - 2185/3.0=3, 82/4.6=2...(4) HG2 LYS 46 + H THR 23 OK 12 96 - 13 - 2185/3.0=3, 82/4.6=2...(4) HG3 LYS 119 + H THR 23 OK 10 100 - 10 - 6436/4.1=2, 4.0/1571=1 HG CYS 87 - H THR 23 lone 10 100 - 10 - 5.6/1701=4, 6436/4.1=1 QB ALA 43 - H THR 23 lone 5 89 - 6 - 2185/3.0=1 HB3 LEU 59 - H THR 23 lone 3 60 - 4 - 3.2/77=2, 7080/4.4=1 Peak 859 from nnoeabs.peaks (8.09, 8.09, 119.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 24 + H LEU 24 OK 100 100 - 100 Peak 860 from nnoeabs.peaks (4.10, 8.09, 119.66 ppm; 3.52 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 24 + H LEU 24 OK 100 100 - 100 - 3.0=100 HA3 GLY 25 + H LEU 24 OK 49 90 - 54 - 3.0/1439=18, 3.6/6482=8...(13) HA ARG 57 - H LEU 24 OK 24 90 - 26 - 2223/4.8=3, 2209/3.9=3...(12) HA LYS 31 - H LEU 24 OK 11 93 - 12 - 3.6/1445=2, 2209/3.9=1 HB3 SER 78 - H LEU 24 poor 9 60 - 15 - 1.8/4036=3, 4.5/1439=3...(4) HA VAL 120 - H LEU 24 lone 7 93 - 7 - HA SER 44 - H LEU 24 lone 2 60 - 4 - Peak 861 from nnoeabs.peaks (1.51, 8.09, 119.66 ppm; 3.26 A): 4 out of 10 assignments used, quality = 0.92: * HB2 LEU 24 + H LEU 24 OK 85 100 - 85 - 3.9=59, 3.1/865=20...(13) HB3 LEU 58 + H LEU 24 OK 20 85 - 24 - 8435/4.8=6, 2210/3.9=4...(8) HG2 ARG 85 + H LEU 24 OK 19 99 - 19 - 5.0/79=4, 4298/4.6=3...(9) HD3 LYS 46 + H LEU 24 OK 16 78 - 20 - 1.8/863=4, 2.9/82=2...(9) HG LEU 91 - H LEU 24 lone 8 89 - 8 - 3.7/81=2, 2196/3.0=1, 2210/3.9=1 HG LEU 93 - H LEU 24 lone 6 93 - 6 - HB3 LEU 114 - H LEU 24 lone 5 99 - 5 - HG3 ARG 92 - H LEU 24 lone 5 100 - 5 - HG2 ARG 92 - H LEU 24 lone 5 100 - 5 - HG2 LYS 109 - H LEU 24 lone 2 68 - 3 - Peak 862 from nnoeabs.peaks (1.22, 8.09, 119.66 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.96: * HB3 LEU 24 + H LEU 24 OK 94 100 - 94 - 3.9=79, 3.1/865=24...(14) HG LEU 77 + H LEU 24 OK 36 92 - 39 - 2197/3.0=5, 2.1/864=4...(17) HB2 LEU 77 - H LEU 24 OK 21 63 - 33 - 3.0/5730=3, 3.1/864=3...(17) QG2 VAL 18 - H LEU 24 OK 21 95 - 22 - 6369/4.8=5, 2197/3.0=3...(7) HG2 LYS 32 - H LEU 24 OK 16 100 - 16 - 2197/3.0=2, 3.0/5527=2...(7) HB3 LEU 111 - H LEU 24 lone 10 100 - 10 - 2197/3.0=2, 2204/3.9=1 HG13 ILE 124 - H LEU 24 lone 4 81 - 5 - Peak 863 from nnoeabs.peaks (1.45, 8.09, 119.66 ppm; 3.18 A): 4 out of 15 assignments used, quality = 0.85: * HG LEU 24 + H LEU 24 OK 72 100 - 72 - 2.1/865=23, 5.3=22...(10) HG3 ARG 57 + H LEU 24 OK 23 89 - 26 - 2198/3.0=3, 3.5/6452=3...(12) HD2 LYS 46 + H LEU 24 OK 20 99 - 20 - 1.8/861=3, 2198/3.0=2...(11) HB3 LEU 45 + H LEU 24 OK 16 100 - 16 - 3.0/1575=2, 3.1/864=2...(7) HG3 LYS 31 - H LEU 24 lone 8 95 - 9 - 2198/3.0=1, ~2426=1 QB ALA 14 - H LEU 24 lone 8 92 - 9 - 6303/3.9=2 HG2 LYS 119 - H LEU 24 lone 8 97 - 8 - 1.8/82=2, 2198/3.0=1 HB3 GLU 75 - H LEU 24 lone 7 100 - 7 - 3.0/6093=1 HB3 LEU 91 - H LEU 24 lone 6 81 - 8 - 3.0/81=2, 3.0/861=1 HB3 LEU 101 - H LEU 24 lone 5 97 - 5 - HB2 LEU 93 - H LEU 24 lone 5 92 - 5 - HD3 LYS 65 - H LEU 24 lone 4 99 - 4 - HD2 LYS 65 - H LEU 24 lone 4 99 - 4 - QB ALA 89 - H LEU 24 lone 3 97 - 3 - QB ALA 98 - H LEU 24 lone 2 65 - 3 - Peak 864 from nnoeabs.peaks (0.66, 8.09, 119.66 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.96: * QD2 LEU 24 + H LEU 24 OK 91 100 - 91 - 4.8=47, 2.1/865=32...(14) QD1 LEU 21 + H LEU 24 OK 52 98 - 53 - 3.7/1574=15, 2199/3.0=8...(10) QD1 LEU 77 - H LEU 24 OK 26 68 - 38 - 2.1/862=6, 2199/3.0=5...(16) QD1 LEU 45 - H LEU 24 OK 21 87 - 24 - 4.0/1575=3, 2199/3.0=3...(10) Peak 865 from nnoeabs.peaks (0.06, 8.09, 119.66 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.93: * QD1 LEU 24 + H LEU 24 OK 93 100 - 93 - 4.8=54, 2200/3.0=29...(16) Peak 866 from nnoeabs.peaks (7.82, 7.82, 105.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 25 + H GLY 25 OK 100 100 - 100 Peak 867 from nnoeabs.peaks (3.94, 7.82, 105.62 ppm; 3.11 A): 2 out of 10 assignments used, quality = 1.00: * HA2 GLY 25 + H GLY 25 OK 100 100 - 100 - 3.0=100 HA THR 23 + H GLY 25 OK 46 100 - 46 - 3.6/1439=12, 6445=9...(12) HA ARG 85 - H GLY 25 OK 12 100 - 12 - 3.0/6481=4, 80/4.7=2...(5) HA SER 74 - H GLY 25 lone 5 93 - 5 - 6091/4.7=1 HA2 GLY 125 - H GLY 25 lone 3 87 - 4 - HA3 GLY 125 - H GLY 25 lone 3 87 - 4 - HA ALA 43 - H GLY 25 lone 2 93 - 2 - HB THR 62 - H GLY 25 lone 2 83 - 2 - HD3 PRO 68 - H GLY 25 lone 2 83 - 2 - HD2 PRO 68 - H GLY 25 lone 1 78 - 2 - Peak 868 from nnoeabs.peaks (4.11, 7.82, 105.62 ppm; 3.15 A): 2 out of 10 assignments used, quality = 1.00: * HA3 GLY 25 + H GLY 25 OK 100 100 - 100 - 3.0=100 HA LEU 24 + H GLY 25 OK 75 90 - 84 - 3.6=69, 3.0/1439=15...(14) HA ARG 57 - H GLY 25 OK 16 100 - 16 - 3.6/87=2, 92/4.6=2...(7) HB3 SER 78 - H GLY 25 OK 11 95 - 12 - 3.9/83=3, 1.8/5734=2...(6) HA ALA 98 - H GLY 25 lone 3 76 - 4 - 3.6/1265=1 HA ILE 63 - H GLY 25 lone 2 73 - 3 - HA PRO 37 - H GLY 25 lone 2 60 - 3 - HA ILE 124 - H GLY 25 lone 2 65 - 2 - HA ASN 108 - H GLY 25 lone 1 60 - 1 - HB3 SER 72 - H GLY 25 lone 0 71 - 1 - Peak 869 from nnoeabs.peaks (7.25, 7.25, 109.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 26 + H VAL 26 OK 100 100 - 100 Peak 870 from nnoeabs.peaks (4.22, 7.25, 109.76 ppm; 3.41 A): 1 out of 11 assignments used, quality = 1.00: * HA VAL 26 + H VAL 26 OK 100 100 - 100 - 3.0=100 HA ILE 22 - H VAL 26 OK 44 100 - 44 - 6423/4.7=10, 6422=8...(12) HA SER 13 - H VAL 26 OK 18 100 - 18 - 2242=4, 2258/4.0=2...(7) HA CYS 52 - H VAL 26 OK 13 100 - 13 - 2258/4.0=2, 2253/4.0=2, ~1006=1 HA THR 17 - H VAL 26 OK 10 93 - 11 - ~5949=2, ~1541=1, 2253/4.0=1 HA VAL 66 - H VAL 26 lone 7 99 - 7 - HA3 GLY 48 - H VAL 26 poor 7 65 - 10 - 6891/4.0=3, 6891/4.0=3, ~3023=2 HA LEU 126 - H VAL 26 lone 5 96 - 5 - HB THR 19 - H VAL 26 lone 2 63 - 3 - HA ALA 89 - H VAL 26 lone 1 78 - 2 - HA3 GLY 61 - H VAL 26 lone 1 65 - 1 - Peak 871 from nnoeabs.peaks (2.19, 7.25, 109.76 ppm; 3.98 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 26 + H VAL 26 OK 100 100 - 100 - 3.9=100 HG2 PRO 37 - H VAL 26 OK 24 99 - 24 - 2259/4.0=5, 2254/4.0=5...(9) HB VAL 49 - H VAL 26 OK 24 99 - 24 - 2244/3.0=4, 2254/4.0=4...(9) HB3 PRO 37 - H VAL 26 OK 18 83 - 22 - 2259/4.0=4, 2254/4.0=4...(7) HB2 GLU 73 - H VAL 26 OK 10 100 - 10 - 2259/4.0=3, 2254/4.0=2...(4) Peak 872 from nnoeabs.peaks (0.63, 7.25, 109.76 ppm; 2.82 A): 4 out of 5 assignments used, quality = 0.89: * QG2 VAL 26 + H VAL 26 OK 65 100 - 65 - 4.0=36, 4.1/1441=8...(14) QG1 VAL 26 + H VAL 26 OK 60 95 - 64 - 4.0=36, 2.1/2252=10...(12) QD1 LEU 21 + H VAL 26 OK 14 60 - 24 - 2.1/6490=6, 3.7/6497=5...(6) QD1 LEU 51 + H VAL 26 OK 11 100 - 11 - 3.1/6495=1, 2246/3.0=1...(4) QD1 LEU 45 - H VAL 26 lone 5 83 - 6 - Peak 873 from nnoeabs.peaks (0.61, 7.25, 109.76 ppm; 2.82 A): 3 out of 3 assignments used, quality = 0.87: * QG1 VAL 26 + H VAL 26 OK 64 100 - 64 - 4.0=36, 2.1/2252=10...(12) QG2 VAL 26 + H VAL 26 OK 60 95 - 64 - 4.0=36, 2246/3.0=8...(13) QD1 LEU 51 + H VAL 26 OK 10 97 - 10 - 3.1/6495=1, 2246/3.0=1, 97/4.7=1 Peak 874 from nnoeabs.peaks (6.76, 6.76, 120.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 27 + H LEU 27 OK 100 100 - 100 Peak 875 from nnoeabs.peaks (4.54, 6.76, 120.67 ppm; 3.61 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 27 + H LEU 27 OK 100 100 - 100 - 3.0=100 HA ASN 99 - H LEU 27 OK 21 81 - 26 - 4.4/6540=5, 4619=3...(10) HB THR 121 - H LEU 27 OK 17 71 - 25 - 8082/4.0=4, 2.1/876=4...(10) HA GLU 82 - H LEU 27 OK 14 98 - 15 - 2298/4.4=2, 99/4.6=2...(7) HA ASN 79 - H LEU 27 OK 14 97 - 15 - 3.0/6540=3, 2277/4.0=2...(7) HA THR 95 - H LEU 27 lone 8 95 - 9 - 3.0/6516=1 HB THR 23 - H LEU 27 lone 7 81 - 9 - 3.0/6516=2, ~2184=1 HA LEU 91 - H LEU 27 lone 2 57 - 4 - Peak 876 from nnoeabs.peaks (1.40, 6.76, 120.67 ppm; 3.44 A): 5 out of 10 assignments used, quality = 0.92: * HB2 LEU 27 + H LEU 27 OK 84 100 - 84 - 4.0=63, 1.8/877=14...(16) QG2 THR 121 + H LEU 27 OK 21 83 - 25 - 8086/4.0=5, 8084/4.4=4...(8) HB2 LEU 111 + H LEU 27 OK 18 99 - 18 - 3.1/7891=2, 2264/3.0=2...(9) HB2 LEU 51 + H LEU 27 OK 15 76 - 20 - 3.1/97=3, 3080/4.1=3...(10) HG LEU 59 + H LEU 27 OK 13 100 - 13 - 2264/3.0=2, 2278/4.0=2...(6) HB3 LEU 93 - H LEU 27 poor 9 93 - 10 - 2264/3.0=2, 2278/4.0=2 HB VAL 110 - H LEU 27 lone 9 100 - 9 - 2264/3.0=1, 2278/4.0=1 QB ALA 98 - H LEU 27 poor 8 68 - 11 - 4.5/4619=2, 3.5/1266=2 QB ALA 122 - H LEU 27 lone 6 90 - 6 - ~626=1, 2264/3.0=1 HG2 LYS 31 - H LEU 27 lone 4 68 - 5 - Peak 877 from nnoeabs.peaks (1.01, 6.76, 120.67 ppm; 3.55 A): 3 out of 9 assignments used, quality = 0.94: * HB3 LEU 27 + H LEU 27 OK 88 100 - 88 - 4.0=69, 1.8/876=17...(16) QD1 LEU 58 + H LEU 27 OK 31 100 - 31 - 8749/3.0=5, 7062/4.0=4...(13) QD2 LEU 58 + H LEU 27 OK 27 95 - 29 - 8748/3.0=4, 2272/4.0=3...(11) QD1 LEU 101 - H LEU 27 OK 25 81 - 30 - 7722=6, 7707/4.1=3...(13) QD2 LEU 101 - H LEU 27 OK 22 71 - 30 - 2.1/7722=6, 7710/4.1=5...(12) QG1 VAL 18 - H LEU 27 OK 14 78 - 19 - 2.1/8394=4, 2300/4.4=2...(8) QG1 VAL 120 - H LEU 27 OK 11 73 - 15 - ~8067=3, 8212/4.1=2...(6) HG2 LYS 65 - H LEU 27 lone 2 68 - 3 - HG3 LYS 65 - H LEU 27 lone 2 68 - 3 - Peak 878 from nnoeabs.peaks (1.65, 6.76, 120.67 ppm; 4.45 A): 2 out of 8 assignments used, quality = 0.96: * HG LEU 27 + H LEU 27 OK 88 100 - 88 - 5.3=60, 3.0/876=18...(11) HB3 LEU 41 + H LEU 27 OK 66 100 - 67 - 6763=13, 3.0/6764=9...(20) HB3 GLN 42 - H LEU 27 OK 44 90 - 49 - 1.8/2833=6, 3.0/2825=5...(15) HG LEU 51 - H LEU 27 OK 29 87 - 34 - 2.1/97=6, 2266/3.0=4...(11) HB ILE 34 - H LEU 27 OK 23 100 - 23 - 2273/4.0=3, 2280/4.0=3...(7) HG3 ARG 85 - H LEU 27 OK 16 99 - 16 - 2266/3.0=2, 4.1/6516=2...(6) HB2 LEU 59 - H LEU 27 poor 9 63 - 15 - 3.0/876=3, 2273/4.0=2...(6) HB3 LYS 32 - H LEU 27 lone 6 95 - 6 - Peak 879 from nnoeabs.peaks (0.93, 6.76, 120.67 ppm; 3.58 A): 3 out of 11 assignments used, quality = 0.98: QD2 LEU 27 + H LEU 27 OK 84 100 - 84 - 4.4=54, 3.1/876=12...(19) * QD1 LEU 27 + H LEU 27 OK 80 100 - 80 - 4.4=54, 3.1/876=12...(14) QG2 ILE 22 + H LEU 27 OK 49 100 - 49 - 3.2/6423=17, 4.0/6541=10...(12) QD1 LEU 41 - H LEU 27 OK 43 99 - 43 - 2.1/6768=7, 2.1/6764=6...(14) HB2 GLN 42 - H LEU 27 OK 32 98 - 33 - 1.8/878=4, 3.0/2825=3...(13) QG2 VAL 49 - H LEU 27 OK 13 99 - 13 - 2.1/95=4, 3044/4.4=2...(4) QD1 ILE 63 - H LEU 27 OK 13 92 - 14 - 7146/3.6=2, 7153/3.0=2 QD1 LEU 55 - H LEU 27 OK 12 98 - 12 - 2.1/6514=1, 2267/3.0=1...(5) QG2 VAL 115 - H LEU 27 OK 11 100 - 11 - 7975/6423=1 QD1 LEU 117 - H LEU 27 OK 11 89 - 12 - 2282/4.0=1, 2268/3.0=1...(5) QD1 LEU 126 - H LEU 27 lone 5 87 - 5 - 5411/3.6=1 Peak 880 from nnoeabs.peaks (0.92, 6.76, 120.67 ppm; 3.58 A): 3 out of 11 assignments used, quality = 0.98: * QD2 LEU 27 + H LEU 27 OK 84 100 - 84 - 4.4=54, 3.1/876=12...(19) QD1 LEU 27 + H LEU 27 OK 80 100 - 80 - 4.4=54, 3.1/876=12...(14) QG2 ILE 22 + H LEU 27 OK 49 100 - 49 - 3.2/6423=17, 4.0/6541=10...(12) QD1 LEU 41 - H LEU 27 OK 43 98 - 43 - 2.1/6768=7, 2.1/6764=6...(14) HB2 GLN 42 - H LEU 27 OK 33 99 - 33 - 1.8/878=4, 3.0/2825=3...(13) QG2 VAL 49 - H LEU 27 OK 13 100 - 14 - 2.1/95=4, 3044/4.4=2...(4) QD1 ILE 63 - H LEU 27 OK 12 87 - 14 - 7146/3.6=2, 7153/3.0=2 QD1 LEU 55 - H LEU 27 OK 12 96 - 12 - 2.1/6514=1, 2267/3.0=1...(5) QD1 LEU 117 - H LEU 27 OK 11 93 - 12 - 2282/4.0=1, 2268/3.0=1...(5) QG2 VAL 115 - H LEU 27 OK 11 100 - 11 - 7975/6423=1 QD1 LEU 126 - H LEU 27 lone 5 92 - 5 - 5411/3.6=1 Peak 881 from nnoeabs.peaks (8.50, 8.50, 124.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 28 + H GLU 28 OK 100 100 - 100 Peak 882 from nnoeabs.peaks (4.16, 8.50, 124.97 ppm; 3.31 A): 1 out of 13 assignments used, quality = 1.00: * HA GLU 28 + H GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 37 - H GLU 28 OK 25 92 - 28 - 5997=5, 2.3/885=3...(13) HA PHE 83 - H GLU 28 OK 19 97 - 20 - 3.0/1486=3, 5757=3...(8) HA PRO 68 - H GLU 28 poor 8 60 - 14 - 2.3/886=2, 2317/3.8=2...(6) HA GLU 56 - H GLU 28 lone 8 97 - 8 - HA SER 78 - H GLU 28 lone 7 97 - 7 - 2.9/366=2, 3.6/1661=2 HA ILE 63 - H GLU 28 lone 6 83 - 7 - HA ALA 98 - H GLU 28 lone 5 81 - 6 - 2.1/100=1 HB2 SER 113 - H GLU 28 lone 4 100 - 4 - HA ASN 108 - H GLU 28 lone 3 92 - 3 - HA ILE 124 - H GLU 28 lone 2 89 - 3 - HA ARG 92 - H GLU 28 lone 2 63 - 4 - HB3 SER 72 - H GLU 28 lone 2 85 - 2 - Peak 883 from nnoeabs.peaks (1.90, 8.50, 124.97 ppm; 2.84 A): 5 out of 15 assignments used, quality = 0.86: * HB2 GLU 28 + H GLU 28 OK 68 100 - 68 - 3.8=43, 1.8/2316=15...(12) HB ILE 22 + H GLU 28 OK 26 100 - 26 - 2.1/104=4, 107/4.4=3...(11) HB2 LEU 84 + H GLU 28 OK 20 100 - 20 - 3.0/4253=2, 1.8/4246=2...(9) HG LEU 84 + H GLU 28 OK 16 90 - 18 - 4253=3, 2.1/4260=2...(7) HB VAL 50 + H GLU 28 OK 12 85 - 14 - 2.1/6543=6, 2.1/6542=4 HB3 LYS 31 - H GLU 28 poor 9 85 - 10 - 3.0/2395=1, 2415=1...(4) HG LEU 55 - H GLU 28 poor 8 83 - 10 - 2.1/103=1 HB ILE 80 - H GLU 28 lone 8 87 - 9 - 3.2/7394=1, 3.0/6131=1 HB2 ARG 81 - H GLU 28 lone 7 100 - 7 - 3.0/6133=2, 6114/3.0=1 HB2 LEU 21 - H GLU 28 lone 7 78 - 9 - 6409/4.3=2, 6525/4.8=2...(5) HB3 GLU 73 - H GLU 28 lone 5 99 - 5 - HG LEU 58 - H GLU 28 lone 5 63 - 8 - 2.1/101=2, 2.1/101=2 HB2 LYS 119 - H GLU 28 lone 4 85 - 4 - HB2 ARG 92 - H GLU 28 lone 1 63 - 2 - HB3 MET 11 - H GLU 28 lone 1 96 - 1 - Peak 884 from nnoeabs.peaks (1.87, 8.50, 124.97 ppm; 2.82 A): 5 out of 12 assignments used, quality = 0.81: * HB3 GLU 28 + H GLU 28 OK 65 100 - 65 - 3.8=42, 1.8/2310=16...(10) HG12 ILE 22 + H GLU 28 OK 18 81 - 22 - ~6563=4, 8477/4.3=3...(9) HG LEU 84 + H GLU 28 OK 15 87 - 17 - 4253=2, 2.1/4260=2...(7) HB VAL 50 + H GLU 28 OK 12 92 - 13 - 2.1/6543=6, 2.1/6542=4 HG3 PRO 68 + H GLU 28 OK 12 100 - 12 - 2307/3.0=2, 2313/3.8=2 HB3 LYS 31 - H GLU 28 poor 9 92 - 10 - 2415=1, 3.0/2395=1...(4) HG LEU 55 - H GLU 28 poor 9 93 - 10 - 2.1/103=1, 2307/3.0=1 HB2 LEU 58 - H GLU 28 lone 9 100 - 9 - 3.1/101=2, 8304/4.3=2...(4) HB2 LYS 119 - H GLU 28 lone 4 92 - 5 - HB2 ARG 92 - H GLU 28 lone 3 99 - 3 - HG3 GLU 73 - H GLU 28 lone 2 60 - 3 - HB3 LYS 109 - H GLU 28 lone 2 100 - 2 - Peak 885 from nnoeabs.peaks (2.23, 8.50, 124.97 ppm; 3.28 A): 3 out of 13 assignments used, quality = 0.91: * HG2 GLU 28 + H GLU 28 OK 66 100 - 66 - 5.1=27, 3.0/2310=15...(11) HG3 GLU 28 + H GLU 28 OK 66 100 - 66 - 5.1=27, 3.0/2310=15...(11) HB3 PRO 37 + H GLU 28 OK 23 92 - 25 - 2.3/882=4, 2308/3.0=2...(12) HB2 PRO 68 - H GLU 28 OK 17 100 - 17 - 3735/3.8=3, 2.3/884=3...(7) HG2 PRO 37 - H GLU 28 OK 14 63 - 22 - 3.8/5997=3, 2.3/5542=2...(12) HB3 LEU 117 - H GLU 28 OK 13 100 - 13 - 3.1/6543=4, 3.1/104=2...(4) HG2 GLU 38 - H GLU 28 OK 12 97 - 13 - 4.0/6003=2, 4.9/1448=1, 2717=1 HG3 GLU 38 - H GLU 28 OK 12 97 - 13 - 4.0/6003=2, 4.9/1448=1, 2717=1 HG2 GLU 56 - H GLU 28 lone 6 90 - 6 - HB2 PRO 70 - H GLU 28 lone 3 93 - 4 - HG3 GLU 64 - H GLU 28 lone 3 99 - 3 - HG2 GLU 94 - H GLU 28 lone 2 98 - 2 - HG3 GLU 15 - H GLU 28 lone 1 81 - 1 - Peak 886 from nnoeabs.peaks (2.23, 8.50, 124.97 ppm; 3.28 A): 3 out of 13 assignments used, quality = 0.91: * HG3 GLU 28 + H GLU 28 OK 66 100 - 66 - 5.1=27, 3.0/2310=15...(11) HG2 GLU 28 + H GLU 28 OK 66 100 - 66 - 5.1=27, 3.0/2310=15...(11) HB3 PRO 37 + H GLU 28 OK 22 89 - 25 - 2.3/882=4, 2308/3.0=2...(12) HB2 PRO 68 - H GLU 28 OK 17 100 - 17 - 3735/3.8=3, 2.3/884=3...(7) HB3 LEU 117 - H GLU 28 OK 13 100 - 13 - 3.1/6543=4, 3.1/104=2...(4) HG2 GLU 38 - H GLU 28 OK 13 99 - 13 - 4.0/6003=2, 4.9/1448=1, 2717=1 HG3 GLU 38 - H GLU 28 OK 13 98 - 13 - 4.0/6003=2, 4.9/1448=1, 2717=1 HG2 PRO 37 - H GLU 28 OK 13 57 - 22 - 3.8/5997=3, 2.3/5542=2...(12) HG2 GLU 56 - H GLU 28 lone 6 93 - 6 - HB2 PRO 70 - H GLU 28 lone 3 96 - 4 - HG3 GLU 64 - H GLU 28 lone 3 100 - 3 - HG2 GLU 94 - H GLU 28 lone 2 99 - 2 - HG3 GLU 15 - H GLU 28 lone 1 85 - 1 - Peak 887 from nnoeabs.peaks (8.61, 8.61, 118.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 29 + H SER 29 OK 100 100 - 100 Peak 888 from nnoeabs.peaks (4.43, 8.61, 118.55 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 29 + H SER 29 OK 100 100 - 100 - 2.9=100 HA LYS 32 - H SER 29 OK 24 97 - 25 - 6609/4.8=6, 6608/4.8=5...(9) HA SER 113 - H SER 29 lone 10 100 - 10 - 3.0/106=2, 6608/4.8=1 HA SER 90 - H SER 29 lone 3 60 - 4 - HA THR 121 - H SER 29 lone 3 73 - 3 - Peak 889 from nnoeabs.peaks (3.81, 8.61, 118.55 ppm; 2.75 A): 2 out of 10 assignments used, quality = 0.75: * HB2 SER 29 + H SER 29 OK 50 100 - 50 - 3.9=35, 1.8/2342=14...(6) HB3 SER 29 + H SER 29 OK 50 100 - 50 - 3.9=35, 1.8/2338=14...(6) HA3 GLY 39 - H SER 29 lone 4 100 - 4 - 3.6/105=1, 6544/3.6=1 HA THR 116 - H SER 29 lone 4 87 - 5 - HA3 GLY 88 - H SER 29 lone 2 100 - 2 - HB2 SER 90 - H SER 29 lone 2 93 - 3 - HA2 GLY 88 - H SER 29 lone 2 100 - 2 - HA LYS 119 - H SER 29 lone 2 81 - 3 - HA LEU 77 - H SER 29 lone 2 68 - 3 - HA2 GLY 61 - H SER 29 lone 1 85 - 1 - Peak 890 from nnoeabs.peaks (3.81, 8.61, 118.55 ppm; 2.75 A): 2 out of 11 assignments used, quality = 0.75: * HB3 SER 29 + H SER 29 OK 50 100 - 50 - 3.9=35, 1.8/2338=14...(6) HB2 SER 29 + H SER 29 OK 50 100 - 50 - 3.9=35, 1.8/2342=14...(6) HA3 GLY 39 - H SER 29 lone 4 99 - 4 - 3.6/105=1, 6544/3.6=1 HA THR 116 - H SER 29 lone 4 89 - 5 - HA3 GLY 88 - H SER 29 lone 2 100 - 2 - HA2 GLY 88 - H SER 29 lone 2 100 - 2 - HB2 SER 90 - H SER 29 lone 2 92 - 3 - HA LYS 119 - H SER 29 lone 2 83 - 3 - HA LEU 77 - H SER 29 lone 2 71 - 3 - HA THR 19 - H SER 29 lone 1 57 - 2 - HA2 GLY 61 - H SER 29 lone 1 83 - 1 - Peak 891 from nnoeabs.peaks (8.49, 8.49, 119.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 31 + H LYS 31 OK 100 100 - 100 Peak 892 from nnoeabs.peaks (4.08, 8.49, 119.53 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 31 + H LYS 31 OK 100 100 - 100 - 2.9=100 HA VAL 120 - H LYS 31 OK 24 100 - 24 - 2416/4.0=4, 2426/4.7=4...(11) HA LEU 55 - H LYS 31 OK 16 68 - 24 - 2416/4.0=4, 3.0/893=4...(11) HA LEU 24 - H LYS 31 OK 12 93 - 13 - 119/4.6=2, 2416/4.0=2...(5) HA SER 112 - H LYS 31 lone 5 73 - 7 - 6227/3.9=1 HA SER 44 - H LYS 31 lone 5 92 - 5 - Peak 893 from nnoeabs.peaks (1.73, 8.49, 119.53 ppm; 3.77 A): 2 out of 10 assignments used, quality = 0.95: * HB2 LYS 31 + H LYS 31 OK 92 100 - 92 - 4.0=83, 2.9/895=12...(18) HB3 ARG 71 + H LYS 31 OK 35 100 - 35 - 2405=5, 2406/2.9=4...(14) HB3 LEU 55 - H LYS 31 OK 31 99 - 31 - 2397/2.9=5, 2417/4.0=4...(14) HB3 LEU 77 - H LYS 31 OK 25 93 - 27 - 3.0/4011=3, 2397/2.9=3...(11) HG2 ARG 71 - H LYS 31 OK 24 85 - 29 - 4.7/1444=4, 3.0/2405=3...(13) HB2 LEU 91 - H LYS 31 OK 16 97 - 17 - 4380/3.6=4, 3.0/111=2...(5) HB2 ARG 53 - H LYS 31 lone 8 89 - 9 - 2397/2.9=1, 2417/4.0=1 HB2 LEU 45 - H LYS 31 lone 5 60 - 8 - 1.8/896=1 HB3 LYS 46 - H LYS 31 lone 3 65 - 5 - HB VAL 66 - H LYS 31 lone 2 76 - 2 - Peak 894 from nnoeabs.peaks (1.88, 8.49, 119.53 ppm; 4.18 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 31 + H LYS 31 OK 100 100 - 100 - 4.0=100 HB2 LYS 119 - H LYS 31 OK 35 100 - 36 - 2398/2.9=5, 1.8/113=4...(14) HG LEU 55 - H LYS 31 OK 31 100 - 31 - 2398/2.9=5, 3.0/893=4...(12) HG LEU 84 - H LYS 31 OK 24 100 - 24 - 4253=5, 2.1/4260=3...(8) HB2 LEU 58 - H LYS 31 OK 22 95 - 24 - 7057/2.9=4, 2428/4.7=3...(10) HB2 LEU 84 - H LYS 31 OK 20 87 - 23 - 3.0/4253=3, 4239=3...(8) HB3 GLU 28 - H LYS 31 OK 17 92 - 19 - 2316=4, 1.8/2310=3...(5) HB3 LYS 109 - H LYS 31 OK 16 85 - 19 - 1.8/113=3, 2.9/896=2...(10) HB2 GLU 28 - H LYS 31 OK 16 85 - 18 - 1.8/2316=4, 2310=3...(6) HB VAL 50 - H LYS 31 lone 5 100 - 5 - HB ILE 22 - H LYS 31 lone 4 73 - 6 - HG3 PRO 68 - H LYS 31 lone 4 92 - 4 - HB2 ARG 81 - H LYS 31 lone 4 76 - 5 - 3.0/6133=1 HB2 ARG 92 - H LYS 31 lone 3 98 - 3 - HB3 GLU 73 - H LYS 31 lone 3 68 - 4 - 3.0/6084=1 Peak 895 from nnoeabs.peaks (1.37, 8.49, 119.53 ppm; 4.37 A): 1 out of 7 assignments used, quality = 0.95: * HG2 LYS 31 + H LYS 31 OK 95 100 - 95 - 4.7=83, 2399/2.9=20...(15) HB3 LEU 93 - H LYS 31 OK 29 96 - 31 - 2399/2.9=6, 2419/4.0=5...(10) QG2 THR 121 - H LYS 31 OK 19 99 - 19 - 2399/2.9=4, 8090/4.0=4...(5) HB3 LEU 59 - H LYS 31 OK 18 76 - 23 - 2399/2.9=5, 2419/4.0=4...(10) HB2 LEU 27 - H LYS 31 OK 12 68 - 17 - 1.8/5501=2, 3.0/5502=2...(9) HB VAL 110 - H LYS 31 OK 11 76 - 14 - 2419/4.0=2, 2399/2.9=2...(5) HB2 LEU 111 - H LYS 31 lone 8 85 - 10 - 2399/2.9=2, 122/4.6=1...(4) Peak 896 from nnoeabs.peaks (1.46, 8.49, 119.53 ppm; 4.25 A): 2 out of 17 assignments used, quality = 0.95: * HG3 LYS 31 + H LYS 31 OK 93 100 - 93 - 4.7=76, 1.8/895=18...(16) HG2 LYS 119 + H LYS 31 OK 37 100 - 37 - 2400/2.9=5, 2420/4.0=4...(16) HB2 LEU 93 - H LYS 31 OK 26 100 - 26 - 1.8/895=6, ~2399=4...(7) HB3 LEU 101 - H LYS 31 OK 23 73 - 31 - 3.0/111=5, 8245/3.6=3...(11) HB3 GLU 75 - H LYS 31 OK 22 95 - 23 - 4.0/1444=4, 1.8/115=4...(7) HG2 LYS 109 - H LYS 31 OK 17 89 - 20 - 2.9/113=2, 3.0/115=2...(11) HB3 LEU 58 - H LYS 31 OK 16 73 - 22 - 1.8/894=3, ~7057=3...(9) HG LEU 24 - H LYS 31 OK 14 95 - 14 - 2216/2.9=2, 4.3/892=2...(6) HB3 LEU 45 - H LYS 31 OK 13 95 - 13 - 1.8/115=2, 2895/3.9=1...(4) QB ALA 14 - H LYS 31 OK 12 100 - 12 - 6314=2, 6308/3.9=1 HG LEU 93 - H LYS 31 OK 10 60 - 17 - 3.0/895=5, ~2399=3...(7) HG LEU 91 - H LYS 31 poor 9 68 - 14 - 3.0/893=2, 3.7/111=2, 4394/3.6=2 HD2 LYS 46 - H LYS 31 lone 9 100 - 9 - 2400/2.9=1 HG3 ARG 57 - H LYS 31 lone 5 100 - 5 - HD2 LYS 65 - H LYS 31 lone 3 83 - 3 - HD3 LYS 65 - H LYS 31 lone 3 83 - 3 - QB ALA 89 - H LYS 31 lone 3 76 - 3 - Peak 897 from nnoeabs.peaks (1.62, 8.49, 119.53 ppm; 4.45 A): 2 out of 19 assignments used, quality = 0.98: HD3 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.0=41, 3.0/895=16...(21) * HD2 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.0=41, 3.0/895=16...(21) HG2 PRO 30 - H LYS 31 OK 38 99 - 39 - 3.8/111=21, 1.8/115=6...(6) HG LEU 101 - H LYS 31 OK 32 100 - 32 - 2.1/5837=4, 4.3/111=4...(13) HB3 LYS 32 - H LYS 31 OK 28 87 - 32 - 4.0/118=15, 1.8/115=4...(9) HD3 LYS 32 - H LYS 31 OK 27 97 - 28 - 5.9/1444=9, 2370/3.9=3...(11) HD2 LYS 32 - H LYS 31 OK 27 97 - 28 - 5.9/1444=9, 2370/3.9=3...(11) HD3 LYS 119 - H LYS 31 OK 22 73 - 30 - 3.0/896=4, 3.7/113=3...(15) HD2 LYS 119 - H LYS 31 OK 21 71 - 30 - 3.0/896=4, 3.7/113=3...(15) HB2 LEU 59 - H LYS 31 OK 20 100 - 20 - 1.8/895=4, ~2399=3...(7) HG2 ARG 53 - H LYS 31 OK 11 97 - 11 - 3.0/893=1, 2401/2.9=1...(4) HB3 GLN 42 - H LYS 31 poor 10 92 - 10 - 2382/3.9=2, 3.0/115=1...(4) HG LEU 51 - H LYS 31 lone 8 95 - 8 - 2370/3.9=2, 2363/3.6=2 HG3 ARG 85 - H LYS 31 lone 6 73 - 8 - 5.0/411=2, 5.0/1696=1...(4) HB3 LEU 126 - H LYS 31 lone 6 87 - 6 - 2370/3.9=1 HB2 LEU 126 - H LYS 31 lone 5 85 - 6 - 2370/3.9=1 HB ILE 34 - H LYS 31 lone 5 68 - 8 - 3.2/6628=4, 2.1/6620=1 HG LEU 126 - H LYS 31 lone 5 68 - 7 - 2382/3.9=2, 2381/3.6=1 HG12 ILE 63 - H LYS 31 lone 3 85 - 4 - Peak 898 from nnoeabs.peaks (1.62, 8.49, 119.53 ppm; 4.45 A): 2 out of 19 assignments used, quality = 0.98: * HD3 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.0=41, 3.0/895=16...(21) HD2 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.0=41, 3.0/895=16...(21) HG2 PRO 30 - H LYS 31 OK 38 99 - 39 - 3.8/111=21, 1.8/115=6...(6) HG LEU 101 - H LYS 31 OK 32 100 - 32 - 2.1/5837=4, 4.3/111=4...(13) HB3 LYS 32 - H LYS 31 OK 28 87 - 32 - 4.0/118=15, 1.8/115=4...(9) HD3 LYS 32 - H LYS 31 OK 27 97 - 28 - 5.9/1444=9, 2370/3.9=3...(11) HD2 LYS 32 - H LYS 31 OK 27 97 - 28 - 5.9/1444=9, 2370/3.9=3...(11) HD3 LYS 119 - H LYS 31 OK 22 73 - 30 - 3.0/896=4, 3.7/113=3...(15) HD2 LYS 119 - H LYS 31 OK 21 71 - 30 - 3.0/896=4, 3.7/113=3...(15) HB2 LEU 59 - H LYS 31 OK 20 100 - 20 - 1.8/895=4, ~2399=3...(7) HG2 ARG 53 - H LYS 31 OK 11 97 - 11 - 3.0/893=1, 2401/2.9=1...(4) HB3 GLN 42 - H LYS 31 poor 10 92 - 10 - 2382/3.9=2, 3.0/115=1...(4) HG LEU 51 - H LYS 31 lone 8 95 - 8 - 2370/3.9=2, 2363/3.6=2 HG3 ARG 85 - H LYS 31 lone 6 73 - 8 - 5.0/411=2, 5.0/1696=1...(4) HB3 LEU 126 - H LYS 31 lone 6 87 - 6 - 2370/3.9=1 HB2 LEU 126 - H LYS 31 lone 5 85 - 6 - 2370/3.9=1 HB ILE 34 - H LYS 31 lone 5 68 - 8 - 3.2/6628=4, 2.1/6620=1 HG LEU 126 - H LYS 31 lone 5 68 - 7 - 2382/3.9=2, 2381/3.6=1 HG12 ILE 63 - H LYS 31 lone 3 85 - 4 - Peak 901 from nnoeabs.peaks (7.41, 7.41, 116.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 32 + H LYS 32 OK 100 100 - 100 Peak 902 from nnoeabs.peaks (4.42, 7.41, 116.61 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 32 + H LYS 32 OK 100 100 - 100 - 2.9=100 HA SER 29 - H LYS 32 OK 25 97 - 26 - 6572/4.0=6, 4.8/6581=5...(9) HA THR 121 - H LYS 32 OK 15 95 - 15 - 3.2/122=2, 2496/4.0=2...(7) HA SER 113 - H LYS 32 lone 9 90 - 9 - 2506/4.0=1, 2496/4.0=1...(4) Peak 903 from nnoeabs.peaks (1.79, 7.41, 116.61 ppm; 3.43 A): 5 out of 14 assignments used, quality = 0.94: * HB2 LYS 32 + H LYS 32 OK 82 100 - 82 - 4.0=63, 1.8/2505=16...(14) HG3 PRO 30 + H LYS 32 OK 45 76 - 59 - 2.3/6611=17, 2.3/6610=14...(17) HB2 GLU 75 + H LYS 32 OK 23 97 - 24 - 3954=3, 1.8/3960=3...(12) HB2 PRO 37 + H LYS 32 OK 13 100 - 13 - 6677/5.0=2, 2487/2.9=2...(5) HG2 GLU 75 + H LYS 32 OK 10 65 - 16 - 1.8/3972=3, 3.0/3954=3...(6) HD3 LYS 109 - H LYS 32 lone 7 81 - 9 - 3.9/6610=1, 3.9/121=1 HB2 LEU 117 - H LYS 32 lone 6 95 - 7 - 2487/2.9=1 HD2 LYS 109 - H LYS 32 lone 6 73 - 8 - 3.9/6610=1, 3.9/121=1 HG LEU 117 - H LYS 32 lone 4 73 - 5 - HB3 GLU 56 - H LYS 32 lone 3 99 - 3 - HG2 GLN 42 - H LYS 32 lone 3 65 - 4 - HB2 PRO 60 - H LYS 32 lone 2 89 - 3 - HB3 ARG 92 - H LYS 32 lone 2 83 - 2 - HB3 ARG 57 - H LYS 32 lone 2 68 - 3 - Peak 904 from nnoeabs.peaks (1.64, 7.41, 116.61 ppm; 3.24 A): 5 out of 15 assignments used, quality = 0.95: * HB3 LYS 32 + H LYS 32 OK 75 100 - 75 - 4.0=53, 1.8/903=13...(13) HD3 LYS 31 + H LYS 32 OK 34 87 - 40 - 3.4/5519=9, 3.4/120=9...(10) HD2 LYS 31 + H LYS 32 OK 34 87 - 40 - 3.4/5519=9, 3.4/120=9...(10) HD2 LYS 32 + H LYS 32 OK 34 60 - 57 - 5.9=17, 3.5/2505=9...(14) HD3 LYS 32 + H LYS 32 OK 34 60 - 57 - 5.9=17, 3.5/2505=9...(14) HG2 PRO 30 - H LYS 32 OK 34 68 - 50 - 2.3/6611=15, 2.3/6610=12...(11) HB ILE 34 - H LYS 32 lone 7 99 - 7 - 131/4.6=2, 2488/2.9=1 HG LEU 101 - H LYS 32 lone 6 83 - 7 - HB2 LEU 59 - H LYS 32 lone 5 92 - 6 - 2401/3.6=1, 1.8/122=1 HB3 GLN 42 - H LYS 32 lone 4 100 - 4 - HG LEU 27 - H LYS 32 lone 3 95 - 4 - HB3 LEU 41 - H LYS 32 lone 3 89 - 3 - HG LEU 51 - H LYS 32 lone 3 100 - 3 - HG3 ARG 85 - H LYS 32 lone 3 99 - 3 - HG2 ARG 53 - H LYS 32 lone 2 60 - 4 - Peak 905 from nnoeabs.peaks (1.22, 7.41, 116.61 ppm; 3.77 A): 7 out of 7 assignments used, quality = 0.93: * HG2 LYS 32 + H LYS 32 OK 77 100 - 77 - 5.0=43, 1.8/906=15...(15) HG LEU 77 + H LYS 32 OK 25 87 - 29 - 3.0/120=4, 5.0/1651=3...(12) HB2 LEU 77 + H LYS 32 OK 23 71 - 33 - 1.8/120=5, 4.0/118=4...(15) HB3 LEU 24 + H LYS 32 OK 19 100 - 19 - 3.0/119=3, 2489/2.9=2...(8) HG13 ILE 124 + H LYS 32 OK 16 73 - 22 - 8117/2.9=5, ~8126=3...(8) QG2 VAL 18 + H LYS 32 OK 14 97 - 14 - 132/4.6=2, 2509/4.0=2...(5) HB3 LEU 111 + H LYS 32 OK 11 100 - 11 - 1.8/122=2, 2489/2.9=2...(4) Peak 906 from nnoeabs.peaks (1.26, 7.41, 116.61 ppm; 3.71 A): 6 out of 8 assignments used, quality = 0.92: * HG3 LYS 32 + H LYS 32 OK 77 100 - 77 - 5.0=41, 1.8/905=15...(15) QD1 ILE 80 + H LYS 32 OK 25 99 - 25 - 2.1/6611=4, 2490/2.9=3...(9) QG2 ILE 80 + H LYS 32 OK 22 99 - 22 - 3.2/6611=3, 2.1/6610=3...(9) HG13 ILE 124 + H LYS 32 OK 18 81 - 22 - 8117/2.9=5, ~8126=3...(8) QG2 THR 116 + H LYS 32 OK 17 98 - 17 - 2490/2.9=3, ~6233=3...(5) HG LEU 77 + H LYS 32 OK 16 65 - 24 - 3.0/120=4, 3.0/905=3...(12) QG2 THR 19 - H LYS 32 lone 9 100 - 9 - 2490/2.9=1, 2510/4.0=1 HG LEU 54 - H LYS 32 lone 5 78 - 6 - 5624/4.6=1 Peak 907 from nnoeabs.peaks (1.61, 7.41, 116.61 ppm; 3.53 A): 4 out of 17 assignments used, quality = 0.98: * HD2 LYS 32 + H LYS 32 OK 67 100 - 67 - 5.9=21, 3.5/2505=11...(17) HD3 LYS 32 + H LYS 32 OK 67 100 - 67 - 5.9=21, 3.5/2505=11...(17) HG2 PRO 30 + H LYS 32 OK 60 100 - 61 - 2.3/6611=18, 2.3/6610=14...(15) HB3 LYS 32 + H LYS 32 OK 51 60 - 85 - 4.0=68, 1.8/903=15...(14) HD3 LYS 31 - H LYS 32 OK 45 97 - 46 - 3.4/5519=11, 3.4/120=10...(10) HD2 LYS 31 - H LYS 32 OK 45 97 - 46 - 3.4/5519=11, 3.4/120=10...(10) HD3 LYS 119 - H LYS 32 OK 19 95 - 20 - 3.7/6610=2, 3.7/121=2...(8) HD2 LYS 119 - H LYS 32 OK 18 93 - 20 - 3.7/6610=2, 3.7/121=2...(8) HG LEU 101 - H LYS 32 lone 9 98 - 9 - 5835/4.6=1, 2402/3.6=1 HB2 LEU 59 - H LYS 32 lone 7 93 - 8 - 2401/3.6=2, 1.8/122=2 HG2 ARG 53 - H LYS 32 lone 6 100 - 6 - HG LEU 126 - H LYS 32 lone 3 92 - 3 - HB3 GLN 42 - H LYS 32 lone 3 68 - 5 - HB3 LEU 126 - H LYS 32 lone 3 99 - 3 - HB2 LEU 126 - H LYS 32 lone 3 99 - 3 - HG12 ILE 63 - H LYS 32 lone 2 99 - 2 - HG LEU 51 - H LYS 32 lone 2 73 - 3 - Peak 908 from nnoeabs.peaks (1.61, 7.41, 116.61 ppm; 3.53 A): 4 out of 17 assignments used, quality = 0.98: HD2 LYS 32 + H LYS 32 OK 67 100 - 67 - 5.9=21, 3.5/2505=11...(17) * HD3 LYS 32 + H LYS 32 OK 67 100 - 67 - 5.9=21, 3.5/2505=11...(17) HG2 PRO 30 + H LYS 32 OK 60 100 - 61 - 2.3/6611=18, 2.3/6610=14...(15) HB3 LYS 32 + H LYS 32 OK 51 60 - 85 - 4.0=68, 1.8/903=15...(14) HD3 LYS 31 - H LYS 32 OK 45 97 - 46 - 3.4/5519=11, 3.4/120=10...(10) HD2 LYS 31 - H LYS 32 OK 45 97 - 46 - 3.4/5519=11, 3.4/120=10...(10) HD3 LYS 119 - H LYS 32 OK 19 95 - 20 - 3.7/6610=2, 3.7/121=2...(8) HD2 LYS 119 - H LYS 32 OK 18 93 - 20 - 3.7/6610=2, 3.7/121=2...(8) HG LEU 101 - H LYS 32 lone 9 98 - 9 - 5835/4.6=1, 2402/3.6=1 HB2 LEU 59 - H LYS 32 lone 7 93 - 8 - 2401/3.6=2, 1.8/122=2 HG2 ARG 53 - H LYS 32 lone 6 100 - 6 - HG LEU 126 - H LYS 32 lone 3 92 - 3 - HB3 GLN 42 - H LYS 32 lone 3 68 - 5 - HB3 LEU 126 - H LYS 32 lone 3 99 - 3 - HB2 LEU 126 - H LYS 32 lone 3 99 - 3 - HG12 ILE 63 - H LYS 32 lone 2 99 - 2 - HG LEU 51 - H LYS 32 lone 2 73 - 3 - Peak 911 from nnoeabs.peaks (8.10, 8.10, 116.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 33 + H THR 33 OK 100 100 - 100 Peak 912 from nnoeabs.peaks (3.86, 8.10, 116.36 ppm; 2.90 A): 2 out of 13 assignments used, quality = 0.99: * HA THR 33 + H THR 33 OK 98 100 - 98 - 2.9=96, 3.0/2579=14...(11) HB THR 33 + H THR 33 OK 62 100 - 62 - 4.0=37, 2.1/2583=13...(10) HA LEU 77 - H THR 33 OK 10 76 - 13 - 3.7/132=1, 8752/3.6=1, 3.0/132=1 HB3 ASN 79 - H THR 33 poor 10 76 - 13 - 3.5/128=3, 3.9/1154=2...(5) HA3 GLY 104 - H THR 33 lone 8 100 - 8 - 3.0/1507=2, 5849=2, 1.8/5848=1 HA GLU 15 - H THR 33 lone 7 97 - 8 - 5956/4.6=1 HB2 SER 35 - H THR 33 lone 7 100 - 7 - 2575=1, 2578/4.0=1 HA THR 19 - H THR 33 lone 5 87 - 5 - HA ARG 53 - H THR 33 lone 3 65 - 5 - 3.6/1463=1 HB2 SER 13 - H THR 33 lone 3 97 - 3 - HA LYS 119 - H THR 33 lone 2 63 - 3 - HB THR 95 - H THR 33 lone 1 60 - 2 - HB3 SER 112 - H THR 33 lone 0 57 - 1 - Peak 913 from nnoeabs.peaks (3.86, 8.10, 116.36 ppm; 2.90 A): 2 out of 13 assignments used, quality = 0.99: HA THR 33 + H THR 33 OK 98 100 - 98 - 2.9=96, 3.0/2579=14...(11) * HB THR 33 + H THR 33 OK 62 100 - 62 - 4.0=37, 2.1/2583=13...(10) HB3 ASN 79 - H THR 33 OK 10 78 - 13 - 3.5/128=3, 3.9/1154=2...(5) HA LEU 77 - H THR 33 poor 10 73 - 13 - 3.7/132=1, 8752/3.6=1, 3.0/132=1 HA3 GLY 104 - H THR 33 lone 8 99 - 8 - 3.0/1507=2, 5849=1, 1.8/5848=1 HA GLU 15 - H THR 33 lone 7 96 - 8 - 5956/4.6=1 HB2 SER 35 - H THR 33 lone 7 100 - 7 - 2575=1, 2578/4.0=1 HA THR 19 - H THR 33 lone 4 85 - 5 - HA ARG 53 - H THR 33 lone 3 68 - 5 - 3.6/1463=1 HB2 SER 13 - H THR 33 lone 3 98 - 3 - HA LYS 119 - H THR 33 lone 2 60 - 3 - HB THR 95 - H THR 33 lone 1 63 - 2 - HB3 SER 112 - H THR 33 lone 0 60 - 1 - Peak 914 from nnoeabs.peaks (1.05, 8.10, 116.36 ppm; 3.62 A): 3 out of 5 assignments used, quality = 0.93: * QG2 THR 33 + H THR 33 OK 88 100 - 88 - 4.0=75, 2.1/2579=27...(5) HG13 ILE 34 + H THR 33 OK 38 97 - 39 - 4.6/1446=10, 2578/2.9=7...(10) HB3 LEU 21 + H THR 33 OK 11 100 - 11 - 3.0/5990=3, 4.6/1567=2...(5) QD2 LEU 101 - H THR 33 lone 7 83 - 8 - 7714/5.0=1, 2.1/134=1 QG1 VAL 120 - H THR 33 lone 4 81 - 5 - Peak 915 from nnoeabs.peaks (8.59, 8.59, 127.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 34 + H ILE 34 OK 100 100 - 100 Peak 916 from nnoeabs.peaks (3.90, 8.59, 127.47 ppm; 3.01 A): 1 out of 13 assignments used, quality = 1.00: * HA ILE 34 + H ILE 34 OK 100 100 - 100 - 3.0=100 HD2 PRO 68 - H ILE 34 lone 6 98 - 6 - 2595/3.9=1, 2602/4.0=1 HD3 PRO 68 - H ILE 34 lone 6 97 - 6 - 2595/3.9=1, 2602/4.0=1 HA ARG 85 - H ILE 34 lone 5 63 - 8 - 4279/3.9=1, 4.1/917=1 HA2 GLY 2 - H ILE 34 lone 5 100 - 5 - HA3 GLY 2 - H ILE 34 lone 5 100 - 5 - HA ARG 53 - H ILE 34 lone 3 90 - 4 - HB3 ASN 79 - H ILE 34 lone 3 83 - 4 - 3.5/138=1 HB THR 95 - H ILE 34 lone 3 93 - 3 - HB2 SER 112 - H ILE 34 lone 2 97 - 2 - HB3 SER 112 - H ILE 34 lone 2 95 - 2 - HB THR 62 - H ILE 34 lone 2 97 - 2 - HA ALA 43 - H ILE 34 lone 1 89 - 2 - Peak 917 from nnoeabs.peaks (1.65, 8.59, 127.47 ppm; 3.22 A): 6 out of 11 assignments used, quality = 0.95: * HB ILE 34 + H ILE 34 OK 87 100 - 87 - 3.9=54, 2.1/918=26...(16) HG LEU 51 + H ILE 34 OK 22 95 - 23 - 2.1/921=5, 2589/3.0=3...(7) HB3 LYS 32 + H ILE 34 OK 21 99 - 21 - 4.7/1446=7, 8754/3.6=3...(7) HG LEU 27 + H ILE 34 OK 15 100 - 15 - 6560/4.6=3, 2589/3.0=2...(6) HG3 ARG 85 + H ILE 34 OK 13 100 - 13 - 2589/3.0=2, 2603/4.0=2...(5) HB3 LEU 41 + H ILE 34 OK 11 98 - 11 - 3.1/8728=3, 3.1/8729=2...(4) HB3 GLN 42 - H ILE 34 lone 6 97 - 6 - HG LEU 101 - H ILE 34 lone 4 63 - 6 - HB2 LEU 59 - H ILE 34 lone 2 76 - 2 - HD3 LYS 31 - H ILE 34 lone 1 68 - 2 - HD2 LYS 31 - H ILE 34 lone 1 68 - 2 - Peak 918 from nnoeabs.peaks (0.50, 8.59, 127.47 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.97: * QG2 ILE 34 + H ILE 34 OK 97 100 - 97 - 4.0=78, 2590/3.0=33...(18) Peak 919 from nnoeabs.peaks (0.55, 8.59, 127.47 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.93: * HG12 ILE 34 + H ILE 34 OK 93 100 - 93 - 4.6=52, 3.2/918=27...(13) QD2 LEU 45 - H ILE 34 OK 25 100 - 25 - 2598/3.9=6, 2591/3.0=6...(5) QD2 LEU 77 - H ILE 34 OK 11 78 - 14 - 2605/4.0=2, 2598/3.9=2...(7) QG1 VAL 50 - H ILE 34 poor 9 90 - 10 - 2598/3.9=2, 2591/3.0=2...(5) Peak 920 from nnoeabs.peaks (1.06, 8.59, 127.47 ppm; 3.06 A): 3 out of 3 assignments used, quality = 0.94: * HG13 ILE 34 + H ILE 34 OK 79 100 - 79 - 4.6=29, 3.2/918=18...(14) QG2 THR 33 + H ILE 34 OK 67 97 - 70 - 4.2=39, 2.1/5536=21...(9) HB3 LEU 21 + H ILE 34 OK 11 95 - 11 - 2599/3.9=2, 2592/3.0=2...(5) Peak 921 from nnoeabs.peaks (0.18, 8.59, 127.47 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.96: * QD1 ILE 34 + H ILE 34 OK 96 100 - 96 - 5.0=57, 3.0/918=34...(16) QD2 LEU 51 - H ILE 34 OK 33 78 - 43 - 2593/3.0=9, 2600/3.9=9...(9) Peak 922 from nnoeabs.peaks (7.88, 7.88, 119.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + H ASP 36 OK 100 100 - 100 Peak 923 from nnoeabs.peaks (5.10, 7.88, 119.17 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + H ASP 36 OK 100 100 - 100 - 2.9=100 Peak 924 from nnoeabs.peaks (2.84, 7.88, 119.17 ppm; 4.95 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASP 36 + H ASP 36 OK 100 100 - 100 - 4.0=100 HB2 ASN 99 - H ASP 36 OK 13 100 - 13 - 3.0/6184=6, 2640/2.9=2 HB2 ASN 79 - H ASP 36 OK 13 100 - 13 - 2640/2.9=3, 2648/4.0=2...(5) HB2 CYS 76 - H ASP 36 OK 12 78 - 15 - 6695/4.8=2, 3.0/8572=2...(8) HB2 TYR 67 - H ASP 36 OK 11 100 - 11 - 2640/2.9=3, ~2640=2...(5) HB3 TYR 67 - H ASP 36 OK 11 100 - 11 - 2640/2.9=3, ~2640=2...(5) HB3 PHE 107 - H ASP 36 lone 6 100 - 6 - 2640/2.9=1 HE3 LYS 119 - H ASP 36 lone 3 81 - 4 - HE2 LYS 119 - H ASP 36 lone 3 78 - 4 - HG CYS 52 - H ASP 36 lone 3 97 - 3 - Peak 925 from nnoeabs.peaks (2.55, 7.88, 119.17 ppm; 5.07 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 36 + H ASP 36 OK 100 100 - 100 - 4.0=100 HE3 LYS 46 - H ASP 36 OK 23 97 - 24 - 6694/4.8=6, 2641/2.9=6...(6) HE2 LYS 65 - H ASP 36 lone 9 93 - 10 - 2641/2.9=2, 6697/4.8=2...(4) Peak 926 from nnoeabs.peaks (8.52, 8.52, 118.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 38 + H GLU 38 OK 100 100 - 100 Peak 927 from nnoeabs.peaks (3.76, 8.52, 118.38 ppm; 3.53 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 38 + H GLU 38 OK 100 100 - 100 - 3.0=100 HD2 PRO 30 - H GLU 38 OK 25 99 - 25 - 3.0/928=3, ~2358=2...(14) HA LEU 54 - H GLU 38 OK 17 97 - 17 - 3.6/1447=2, 6073/3.8=2...(8) HB3 SER 13 - H GLU 38 OK 12 99 - 12 - 4.5/21=2, 1894=1, 3.0/1886=1 HA GLU 73 - H GLU 38 OK 11 92 - 12 - 6084=3, 3.0/148=1 HA CYS 87 - H GLU 38 OK 10 100 - 10 - HB3 SER 74 - H GLU 38 lone 7 76 - 9 - 3.0/6086=3, 4.6/1645=3 HB2 SER 74 - H GLU 38 lone 7 73 - 9 - 3.0/6086=3, 4.6/1645=3 HB2 SER 72 - H GLU 38 lone 5 87 - 6 - 7286/3.9=2, 3901/3.6=1 HB3 SER 35 - H GLU 38 lone 4 100 - 4 - HB3 SER 90 - H GLU 38 lone 2 71 - 3 - Peak 928 from nnoeabs.peaks (1.94, 8.52, 118.38 ppm; 3.55 A): 2 out of 14 assignments used, quality = 0.91: * HB2 GLU 38 + H GLU 38 OK 88 100 - 88 - 3.8=80, 1.8/2711=13...(10) HB3 PRO 30 + H GLU 38 OK 25 99 - 26 - 2701/3.0=4, 3.0/927=3...(14) HB3 GLU 94 - H GLU 38 OK 17 96 - 18 - 4524=3, 1.8/4518=2...(7) HB2 ARG 85 - H GLU 38 OK 16 99 - 17 - 2705=3, 2701/3.0=2...(7) HB3 ARG 85 - H GLU 38 OK 16 99 - 17 - 2705=3, 2701/3.0=2...(7) HB2 GLU 64 - H GLU 38 OK 12 100 - 12 - 2701/3.0=2, 2713/3.8=1...(5) HB3 GLU 64 - H GLU 38 OK 12 99 - 12 - 2701/3.0=2, 2713/3.8=1...(5) HB2 LYS 109 - H GLU 38 lone 9 100 - 9 - 2.9/151=2 HB3 LYS 119 - H GLU 38 lone 5 100 - 5 - HB2 LEU 21 - H GLU 38 lone 5 92 - 6 - ~6420=1, 2701/3.0=1 HG LEU 58 - H GLU 38 lone 4 98 - 4 - HB ILE 80 - H GLU 38 lone 4 85 - 4 - HB3 GLU 69 - H GLU 38 lone 3 100 - 3 - HB3 MET 11 - H GLU 38 lone 1 71 - 1 - Peak 929 from nnoeabs.peaks (2.06, 8.52, 118.38 ppm; 3.23 A): 3 out of 15 assignments used, quality = 0.92: * HB3 GLU 38 + H GLU 38 OK 76 100 - 76 - 3.8=60, 1.8/928=12...(12) HG3 PRO 37 + H GLU 38 OK 56 97 - 57 - 2.3/150=14, 2.3/148=12...(13) HB2 ARG 57 + H GLU 38 OK 23 96 - 24 - 2711=4, 6074/3.0=3...(10) HG3 PRO 60 - H GLU 38 OK 18 93 - 19 - 2668/3.6=3, 2695/3.9=2...(9) HB ILE 63 - H GLU 38 OK 13 100 - 13 - ~6709=2, 2702/3.0=2...(6) HG3 PRO 70 - H GLU 38 OK 13 85 - 15 - 7272/4.6=3, 2668/3.6=1...(6) HB2 GLU 56 - H GLU 38 OK 13 83 - 15 - 1.8/146=2, 2668/3.6=2...(7) HG2 GLU 64 - H GLU 38 lone 9 96 - 10 - 1.8/931=1, 2702/3.0=1...(4) HB3 ARG 81 - H GLU 38 lone 5 99 - 5 - HB2 GLN 16 - H GLU 38 lone 4 85 - 4 - 3.0/151=1 HB2 GLN 105 - H GLU 38 lone 4 89 - 4 - HG LEU 21 - H GLU 38 lone 3 76 - 4 - ~6420=1 HB3 GLN 16 - H GLU 38 lone 3 83 - 4 - 3.0/151=1 HB2 LEU 114 - H GLU 38 lone 2 78 - 3 - HB2 GLU 15 - H GLU 38 lone 2 65 - 4 - Peak 930 from nnoeabs.peaks (2.24, 8.52, 118.38 ppm; 3.21 A): 6 out of 14 assignments used, quality = 0.95: * HG2 GLU 38 + H GLU 38 OK 59 100 - 59 - 5.0=26, 3.0/928=9...(10) HG3 GLU 38 + H GLU 38 OK 59 100 - 59 - 5.0=26, 3.0/928=9...(10) HB3 PRO 37 + H GLU 38 OK 53 71 - 75 - 3.9=54, 3.0/150=12...(10) HG2 GLU 94 + H GLU 38 OK 14 100 - 14 - 4530=2, 3.0/928=2...(6) HG2 GLU 56 + H GLU 38 OK 12 99 - 12 - 3282/3.9=2, 3.0/149=2...(4) HB2 PRO 70 + H GLU 38 OK 12 100 - 12 - 2.3/149=2, 157/4.6=1...(4) HG3 GLU 64 - H GLU 38 poor 10 100 - 10 - 1.8/929=1, 3.0/928=1...(5) HG3 GLU 28 - H GLU 38 lone 9 99 - 9 - 2328=1 HG2 GLU 28 - H GLU 38 lone 9 97 - 9 - 2328=1 HB3 LEU 117 - H GLU 38 lone 8 99 - 9 - 5146/3.9=1, 1.8/146=1 HG3 GLU 94 - H GLU 38 poor 7 60 - 12 - 3.0/928=2, 1.8/4530=1...(5) HG3 GLU 15 - H GLU 38 lone 7 97 - 7 - 6322/3.9=3 HB2 PRO 68 - H GLU 38 lone 4 99 - 4 - HB2 CYS 87 - H GLU 38 lone 3 60 - 5 - 3.0/927=1 Peak 931 from nnoeabs.peaks (2.24, 8.52, 118.38 ppm; 3.21 A): 6 out of 14 assignments used, quality = 0.95: HG2 GLU 38 + H GLU 38 OK 59 100 - 59 - 5.0=26, 3.0/928=9...(10) * HG3 GLU 38 + H GLU 38 OK 59 100 - 59 - 5.0=26, 3.0/928=9...(10) HB3 PRO 37 + H GLU 38 OK 51 68 - 75 - 3.9=54, 3.0/150=12...(10) HG2 GLU 94 + H GLU 38 OK 14 100 - 14 - 4530=2, 3.0/928=2...(6) HG2 GLU 56 + H GLU 38 OK 12 100 - 12 - 3282/3.9=2, 3.0/149=2...(4) HB2 PRO 70 + H GLU 38 OK 12 100 - 12 - 2.3/149=2, 157/4.6=1...(4) HG3 GLU 64 - H GLU 38 lone 10 100 - 10 - 1.8/929=1, 3.0/928=1...(5) HG3 GLU 28 - H GLU 38 lone 9 98 - 9 - 2328=1 HG2 GLU 28 - H GLU 38 lone 9 97 - 9 - 2328=1 HB3 LEU 117 - H GLU 38 lone 8 99 - 8 - 5146/3.9=1, 1.8/146=1 HG3 GLU 94 - H GLU 38 poor 8 63 - 12 - 3.0/928=2, 1.8/4530=1...(5) HG3 GLU 15 - H GLU 38 lone 7 97 - 7 - 6322/3.9=3 HB2 PRO 68 - H GLU 38 lone 4 99 - 4 - HB2 CYS 87 - H GLU 38 lone 3 63 - 5 - 3.0/927=1 Peak 932 from nnoeabs.peaks (8.09, 8.09, 108.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLY 39 + H GLY 39 OK 100 100 - 100 HD22 ASN 79 + HD22 ASN 79 OK 57 57 - 100 Peak 933 from nnoeabs.peaks (3.60, 8.09, 108.32 ppm; 3.34 A): 1 out of 12 assignments used, quality = 1.00: * HA2 GLY 39 + H GLY 39 OK 100 100 - 100 - 2.9=100 HD2 PRO 70 - HD22 ASN 79 OK 35 61 - 58 - 2.3/7272=12, ~7273=7...(20) HD2 PRO 70 - H GLY 39 OK 30 99 - 30 - 2.3/7272=6, 2733/2.9=4...(13) HA GLU 75 - H GLY 39 OK 17 85 - 20 - 6093=2, 6092/4.6=2...(7) HA2 GLY 39 - HD22 ASN 79 OK 15 63 - 24 - 2729=5, 1.8/2732=4...(9) HA2 GLY 48 - HD22 ASN 79 OK 15 42 - 36 - ~7374=6, ~6887=6...(13) HA GLU 75 - HD22 ASN 79 OK 13 47 - 27 - 3948/1.7=5, 6098/5.6=3...(11) HA LEU 111 - H GLY 39 lone 7 100 - 7 - 159/4.6=1, 2733/2.9=1 HA VAL 115 - HD22 ASN 79 poor 6 55 - 11 - 7386/1.7=2, ~7381=1, ~5738=1 HA VAL 115 - H GLY 39 lone 6 95 - 6 - HA2 GLY 48 - H GLY 39 lone 3 78 - 4 - HA LEU 111 - HD22 ASN 79 lone 3 63 - 5 - Peak 934 from nnoeabs.peaks (3.81, 8.09, 108.32 ppm; 3.18 A): 1 out of 22 assignments used, quality = 1.00: * HA3 GLY 39 + H GLY 39 OK 100 100 - 100 - 2.9=100 HA3 GLY 39 - HD22 ASN 79 OK 12 63 - 19 - 1.8/2729=4, 2732=4...(7) HA2 GLY 88 - H GLY 39 lone 6 100 - 6 - 2731/2.9=1, 2732=1 HA3 GLY 88 - H GLY 39 lone 6 99 - 6 - 2731/2.9=1 HB2 SER 29 - H GLY 39 lone 4 100 - 4 - HB3 SER 29 - H GLY 39 lone 4 99 - 4 - HB2 SER 74 - H GLY 39 lone 3 68 - 4 - HB3 SER 74 - H GLY 39 lone 3 65 - 4 - HB2 SER 90 - H GLY 39 lone 3 98 - 3 - HA LYS 119 - H GLY 39 lone 2 68 - 3 - HA THR 116 - H GLY 39 lone 2 76 - 2 - HB2 SER 74 - HD22 ASN 79 lone 1 36 - 4 - HB3 SER 74 - HD22 ASN 79 lone 1 34 - 4 - HA2 GLY 88 - HD22 ASN 79 lone 1 63 - 2 - HA THR 116 - HD22 ASN 79 lone 1 41 - 3 - HA3 GLY 88 - HD22 ASN 79 lone 1 61 - 2 - HA2 GLY 61 - H GLY 39 lone 1 93 - 1 - HB2 SER 29 - HD22 ASN 79 lone 1 62 - 1 - HB3 SER 29 - HD22 ASN 79 lone 1 61 - 1 - HA LYS 119 - HD22 ASN 79 lone 1 36 - 2 - HB2 SER 90 - HD22 ASN 79 lone 0 59 - 1 - HA2 GLY 61 - HD22 ASN 79 lone 0 54 - 0 - Peak 935 from nnoeabs.peaks (8.49, 8.49, 123.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 40 + H PHE 40 OK 100 100 - 100 Peak 936 from nnoeabs.peaks (4.34, 8.49, 123.07 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * HA PHE 40 + H PHE 40 OK 100 100 - 100 - 3.0=100 HA ASP 100 - H PHE 40 OK 33 95 - 35 - 3.0/937=7, 2750/4.0=5...(13) HB THR 17 - H PHE 40 OK 16 97 - 16 - ~6019=3, 162/4.6=2...(7) HA CYS 76 - H PHE 40 OK 13 85 - 15 - 3.0/5726=2, 5724=1...(7) HA MET 11 - H PHE 40 lone 2 63 - 4 - Peak 937 from nnoeabs.peaks (2.90, 8.49, 123.07 ppm; 3.37 A): 2 out of 6 assignments used, quality = 0.88: * HB2 PHE 40 + H PHE 40 OK 82 100 - 82 - 4.0=61, 1.8/938=27...(8) HB2 ASP 100 + H PHE 40 OK 35 100 - 35 - 2737/3.0=6, 2751/4.0=5...(11) HB3 ASN 12 - H PHE 40 lone 10 97 - 10 - 2737/3.0=2, 5438=2...(5) HB2 ASN 106 - H PHE 40 lone 6 99 - 6 - 2737/3.0=1 HE2 LYS 32 - H PHE 40 lone 4 65 - 6 - HE3 LYS 32 - H PHE 40 lone 3 63 - 5 - Peak 938 from nnoeabs.peaks (3.35, 8.49, 123.07 ppm; 3.31 A): 3 out of 4 assignments used, quality = 0.84: * HB3 PHE 40 + H PHE 40 OK 79 100 - 79 - 4.0=58, 1.8/937=20...(8) HD3 PRO 60 + H PHE 40 OK 13 96 - 14 - 2738/3.0=4, 4567/4.5=3...(6) HD3 ARG 85 + H PHE 40 OK 12 89 - 13 - 2738/3.0=2, 164/4.6=2...(6) HA LEU 21 - H PHE 40 lone 3 63 - 5 - Peak 941 from nnoeabs.peaks (7.12, 8.49, 123.07 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.96: * QD PHE 40 + H PHE 40 OK 93 100 - 93 - 4.5=70, 2.5/938=29...(12) QD PHE 83 + H PHE 40 OK 38 99 - 38 - 2741/3.0=6, 2755/4.0=5...(10) HE ARG 53 - H PHE 40 OK 18 92 - 20 - 167/4.6=5, 2741/3.0=4...(4) HE ARG 92 - H PHE 40 lone 7 92 - 8 - 2741/3.0=1, 167/4.6=1 Peak 942 from nnoeabs.peaks (8.54, 8.54, 122.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 41 + H LEU 41 OK 100 100 - 100 Peak 943 from nnoeabs.peaks (3.64, 8.54, 122.77 ppm; 3.69 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 41 + H LEU 41 OK 100 100 - 100 - 3.0=100 HA LYS 46 - H LEU 41 OK 33 99 - 33 - 2792/4.1=5, 2806/4.3=5...(12) HA ILE 80 - H LEU 41 OK 23 99 - 23 - 2806/4.3=4, 2792/4.1=3...(10) HA VAL 115 - H LEU 41 OK 10 68 - 15 - 2792/4.1=2, 2806/4.3=2...(7) Peak 944 from nnoeabs.peaks (1.98, 8.54, 122.77 ppm; 3.46 A): 4 out of 14 assignments used, quality = 0.93: * HB2 LEU 41 + H LEU 41 OK 84 100 - 84 - 4.1=62, 1.8/945=13...(14) HG LEU 45 + H LEU 41 OK 23 97 - 24 - 8269/4.3=6, 8270/4.3=4...(7) HB2 LYS 46 + H LEU 41 OK 23 92 - 25 - 3.0/943=5, 2930/3.0=5...(10) HB ILE 124 + H LEU 41 OK 22 100 - 22 - 5347/4.3=4, 3.2/947=3...(10) HB2 LEU 55 - H LEU 41 OK 16 87 - 19 - 4.0/1629=3, 3.1/8498=2...(7) HG2 PRO 60 - H LEU 41 OK 16 97 - 16 - 2.3/164=5, 3472/4.7=2...(6) HB2 GLU 94 - H LEU 41 OK 13 92 - 14 - 4518=3, 1.8/4524=2...(4) HB3 PRO 68 - H LEU 41 lone 8 100 - 8 - 7228/4.3=2 HB3 GLU 94 - H LEU 41 poor 7 60 - 12 - 1.8/4518=2, 2.9/4512=2...(4) HB3 GLN 103 - H LEU 41 lone 7 100 - 7 - 4.4/1588=2 HG2 PRO 68 - H LEU 41 lone 7 100 - 7 - HG LEU 114 - H LEU 41 lone 6 100 - 6 - HB2 ARG 71 - H LEU 41 lone 4 98 - 4 - 170/4.6=1 HB2 MET 11 - H LEU 41 lone 4 100 - 4 - Peak 945 from nnoeabs.peaks (1.66, 8.54, 122.77 ppm; 3.55 A): 3 out of 8 assignments used, quality = 0.95: * HB3 LEU 41 + H LEU 41 OK 87 100 - 87 - 4.1=66, 1.8/944=13...(14) HB3 GLN 42 + H LEU 41 OK 39 83 - 47 - 4.0/1450=13, 4.6/1596=9...(16) HG LEU 27 + H LEU 41 OK 36 100 - 36 - 2780/3.0=4, 2.1/948=4...(13) HG3 ARG 85 - H LEU 41 OK 21 97 - 22 - 3.0/164=4, 1.8/5772=2...(10) HG3 GLN 42 - H LEU 41 OK 19 60 - 32 - 5.2/1450=9, 3.5/6758=4...(14) HB ILE 34 - H LEU 41 OK 13 98 - 13 - 4667/4.5=3, 6737/4.6=3...(4) HG LEU 51 - H LEU 41 OK 11 78 - 14 - 3.7/6050=2, 4667/4.5=2...(5) HB3 LYS 32 - H LEU 41 poor 10 89 - 11 - 4667/4.5=1, 2780/3.0=1 Peak 946 from nnoeabs.peaks (1.83, 8.54, 122.77 ppm; 3.76 A): 5 out of 12 assignments used, quality = 0.94: * HG LEU 41 + H LEU 41 OK 80 100 - 80 - 5.2=38, 2.1/2805=15...(13) HG3 ARG 53 + H LEU 41 OK 53 100 - 53 - 3153=10, 1.8/3145=6...(17) HG13 ILE 63 + H LEU 41 OK 23 96 - 24 - 2.1/7126=5, 2781/3.0=3...(9) HG12 ILE 22 + H LEU 41 OK 12 92 - 13 - 2795/4.1=2, 2781/3.0=2...(7) HB2 PRO 60 + H LEU 41 OK 10 60 - 17 - 3.0/164=5, 2.3/944=2...(5) HG2 GLU 73 - H LEU 41 lone 9 99 - 9 - 2781/3.0=1, 4.1/1586=1 HG3 GLU 73 - H LEU 41 lone 9 99 - 9 - 2781/3.0=1, 4.1/1586=1 HB3 GLN 105 - H LEU 41 lone 8 93 - 9 - 4.0/1585=2, 7784/4.7=1 HB2 GLU 69 - H LEU 41 lone 8 100 - 8 - 4.8/1583=2, 2781/3.0=1 HB3 ARG 57 - H LEU 41 lone 8 83 - 10 - HG2 GLU 75 - H LEU 41 lone 6 85 - 7 - 3.6/1583=1 HB3 ARG 92 - H LEU 41 lone 6 68 - 9 - 4.2/1496=2, 3153=1 Peak 947 from nnoeabs.peaks (0.89, 8.54, 122.77 ppm; 3.73 A): 3 out of 9 assignments used, quality = 0.95: * QD2 LEU 41 + H LEU 41 OK 90 100 - 90 - 4.3=64, 2806/3.0=17...(13) QG1 VAL 49 + H LEU 41 OK 34 99 - 35 - 8407=9, 2782/3.0=4...(10) HB2 GLN 42 + H LEU 41 OK 29 63 - 47 - 4.0/1450=14, 4.6/1596=10...(12) QD1 ILE 124 - H LEU 41 OK 26 100 - 26 - 2782/3.0=4, 5371/4.1=4...(10) HG13 ILE 80 - H LEU 41 OK 13 83 - 16 - 4.0/943=3, 2782/3.0=2...(5) QD2 LEU 59 - H LEU 41 lone 9 99 - 9 - 2782/3.0=1 QD2 LEU 126 - H LEU 41 lone 8 89 - 9 - 2782/3.0=1, 2796/4.1=1 QD1 LEU 126 - H LEU 41 lone 7 85 - 8 - 2782/3.0=1 QD1 LEU 117 - H LEU 41 lone 6 83 - 7 - Peak 948 from nnoeabs.peaks (0.93, 8.54, 122.77 ppm; 3.71 A): 3 out of 12 assignments used, quality = 0.97: * QD1 LEU 41 + H LEU 41 OK 89 100 - 89 - 4.3=63, 2.1/2805=15...(13) QD2 LEU 27 + H LEU 41 OK 45 98 - 46 - 6533/4.5=8, 2.1/945=5...(15) HB2 GLN 42 + H LEU 41 OK 44 92 - 48 - 4.0/1450=14, 4.6/1596=10...(12) QD1 LEU 27 - H LEU 41 OK 43 99 - 43 - 2812=6, 8409/4.5=6...(15) QD1 ILE 63 - H LEU 41 OK 30 98 - 31 - 7126=6, 2.1/946=3...(10) QG2 VAL 49 - H LEU 41 OK 21 96 - 22 - 2.1/8407=7, 3.2/6042=3...(6) QD1 LEU 55 - H LEU 41 OK 21 100 - 21 - 2.1/8498=3, 4.6/1629=3...(5) QG2 VAL 115 - H LEU 41 OK 20 99 - 20 - 3.2/1583=3, 8168/4.1=3...(6) QG2 ILE 22 - H LEU 41 OK 15 99 - 16 - 3.2/946=1, 2158/5.2=1...(4) QG2 ILE 124 - H LEU 41 OK 14 68 - 21 - 2.1/944=3, 3.2/947=3...(10) QD1 LEU 117 - H LEU 41 lone 5 76 - 6 - QD1 LEU 126 - H LEU 41 lone 5 73 - 6 - 2.1/947=1 Peak 949 from nnoeabs.peaks (8.05, 8.05, 119.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 42 + H GLN 42 OK 100 100 - 100 Peak 950 from nnoeabs.peaks (3.21, 8.05, 119.04 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 42 + H GLN 42 OK 100 100 - 100 - 3.0=100 HD2 ARG 71 - H GLN 42 OK 27 99 - 28 - 2828/4.0=3, 2836/4.0=2...(13) HD2 ARG 81 - H GLN 42 OK 21 96 - 22 - 2.9/8588=3, 2828/4.0=3...(10) HB3 PHE 83 - H GLN 42 OK 18 100 - 18 - 6130/3.6=5, 7472/4.9=2...(6) HD3 ARG 71 - H GLN 42 OK 15 65 - 22 - 3.0/953=2, 3892/3.0=2...(10) HB3 TRP 20 - H GLN 42 lone 9 97 - 9 - ~2031=2, ~2021=1, 2828/4.0=1 Peak 951 from nnoeabs.peaks (0.92, 8.05, 119.04 ppm; 3.20 A): 3 out of 12 assignments used, quality = 0.96: * HB2 GLN 42 + H GLN 42 OK 80 100 - 80 - 4.0=50, 1.8/2835=17...(17) QD1 LEU 41 + H GLN 42 OK 63 92 - 68 - 4.9=28, 2.1/5565=13...(18) QD2 LEU 41 + H GLN 42 OK 41 63 - 65 - 4.9=28, 4.3/1450=9...(18) QD2 LEU 27 - H GLN 42 OK 32 99 - 33 - 2.1/171=4, 2301/4.2=3...(16) QD1 LEU 27 - H GLN 42 OK 30 98 - 31 - 2.1/171=4, 2821/3.0=3...(15) QG2 VAL 115 - H GLN 42 OK 16 99 - 16 - 3.2/1591=2, 8168/4.2=2 QG2 ILE 22 - H GLN 42 lone 9 99 - 9 - 3.2/172=1 QD1 ILE 63 - H GLN 42 poor 8 73 - 11 - 2.1/172=2, 7126/4.6=2...(4) QG2 VAL 49 - H GLN 42 lone 8 100 - 8 - 2783/3.6=1 QD1 LEU 117 - H GLN 42 lone 8 99 - 8 - QD1 LEU 55 - H GLN 42 lone 7 87 - 8 - QD1 LEU 126 - H GLN 42 lone 4 98 - 4 - Peak 952 from nnoeabs.peaks (1.64, 8.05, 119.04 ppm; 3.23 A): 3 out of 15 assignments used, quality = 0.94: * HB3 GLN 42 + H GLN 42 OK 81 100 - 81 - 4.0=52, 1.8/2827=19...(18) HB3 LEU 41 + H GLN 42 OK 60 83 - 73 - 4.2=46, 3.1/5565=11...(17) HG LEU 27 + H GLN 42 OK 27 90 - 30 - 2.1/174=4, 2.1/174=4...(15) HG LEU 101 - H GLN 42 OK 20 89 - 23 - ~6787=4, ~7703=3, 2835=3...(8) HG2 PRO 30 - H GLN 42 OK 14 76 - 19 - 2.3/1593=4, 2835=2...(5) HG LEU 51 - H GLN 42 OK 12 100 - 12 - ~6786=2, 2822/3.0=1...(4) HG3 ARG 85 - H GLN 42 lone 10 98 - 10 - 5773/4.6=1 HG2 ARG 53 - H GLN 42 poor 8 68 - 11 - 1.8/172=3, 8446/3.6=2...(4) HB ILE 34 - H GLN 42 lone 7 97 - 7 - HB3 LYS 32 - H GLN 42 lone 7 100 - 6 - HB2 LEU 59 - H GLN 42 lone 5 96 - 5 - HD3 LYS 31 - H GLN 42 lone 3 92 - 3 - HD2 LYS 31 - H GLN 42 lone 3 92 - 3 - HD3 LYS 32 - H GLN 42 lone 2 68 - 2 - HD2 LYS 32 - H GLN 42 lone 2 68 - 2 - Peak 953 from nnoeabs.peaks (1.76, 8.05, 119.04 ppm; 3.86 A): 3 out of 16 assignments used, quality = 0.95: * HG2 GLN 42 + H GLN 42 OK 86 100 - 86 - 5.2=42, 1.8/954=24...(19) HB3 LYS 46 + H GLN 42 OK 48 99 - 49 - 2843=8, 3.0/169=7...(20) HB2 LEU 45 + H GLN 42 OK 37 99 - 37 - 6032/3.0=12, ~6786=5...(11) HG3 ARG 71 - H GLN 42 OK 34 100 - 34 - 3.0/950=5, 2823/3.0=3...(16) HG2 ARG 71 - H GLN 42 OK 30 90 - 34 - 3.0/950=5, 6031/3.0=3...(17) HG3 PRO 30 - H GLN 42 OK 23 100 - 23 - 2.3/1593=6, 1.8/2835=3...(8) HB2 ARG 53 - H GLN 42 OK 14 87 - 16 - 4.0/168=4, 3.0/172=3...(4) HD2 LYS 109 - H GLN 42 OK 14 100 - 14 - 5.2/6205=2, 6.2/1451=2...(4) HD3 LYS 109 - H GLN 42 OK 14 99 - 14 - 5.2/6205=2, 6.2/1451=2...(4) HB2 GLU 75 - H GLN 42 OK 12 90 - 13 - 3.0/6093=3, 3.0/172=1...(4) HG LEU 117 - H GLN 42 OK 11 100 - 11 - 2.1/173=2, 2831/4.0=1 HB2 LEU 117 - H GLN 42 poor 10 93 - 10 - 5142/4.0=1, 3.1/173=1 HB VAL 66 - H GLN 42 lone 6 96 - 6 - HB2 PRO 37 - H GLN 42 lone 5 65 - 8 - 3.9/168=4 HB2 LYS 32 - H GLN 42 lone 4 65 - 6 - 1.8/952=1 HB2 LEU 91 - H GLN 42 lone 3 71 - 4 - Peak 954 from nnoeabs.peaks (1.69, 8.05, 119.04 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.89: * HG3 GLN 42 + H GLN 42 OK 75 100 - 76 - 5.2=28, 3.0/2827=16...(18) HB3 LEU 41 + H GLN 42 OK 48 60 - 80 - 4.2=53, 3.1/5565=12...(16) HB3 LEU 77 + H GLN 42 OK 11 68 - 17 - 2824/3.0=2, 1.8/5728=2...(9) Peak 955 from nnoeabs.peaks (6.76, 8.05, 119.04 ppm; 4.33 A): 3 out of 7 assignments used, quality = 0.99: HZ PHE 107 + H GLN 42 OK 85 97 - 87 - 4769=29, 2.2/4767=22...(20) * HE21 GLN 42 + H GLN 42 OK 82 100 - 82 - 6.5=29, 3.5/954=20...(17) H LEU 27 + H GLN 42 OK 47 99 - 47 - 6763/4.2=6, 2825/3.0=5...(17) H VAL 110 - H GLN 42 OK 22 71 - 31 - 1747=5, 4.7/1451=5...(10) QE TYR 67 - H GLN 42 OK 21 73 - 28 - 2.2/8588=6, ~6772=3...(10) HD22 ASN 99 - H GLN 42 OK 17 100 - 17 - 6763/4.2=2, 6761/3.6=2...(8) HH2 TRP 20 - H GLN 42 lone 4 60 - 6 - Peak 957 from nnoeabs.peaks (7.50, 7.50, 118.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 43 + H ALA 43 OK 100 100 - 100 Peak 958 from nnoeabs.peaks (3.92, 7.50, 118.06 ppm; 3.32 A): 1 out of 13 assignments used, quality = 1.00: * HA ALA 43 + H ALA 43 OK 100 100 - 100 - 3.0=100 HA ARG 85 - H ALA 43 lone 10 97 - 10 - 4.8/6802=2, 6158/4.6=2 HD3 PRO 68 - H ALA 43 lone 8 99 - 8 - 2863/2.9=2 HD2 PRO 68 - H ALA 43 lone 8 99 - 8 - 2863/2.9=2 HA THR 23 - H ALA 43 lone 6 93 - 6 - 2863/2.9=1 HB2 SER 112 - H ALA 43 lone 6 63 - 9 - 3.9/175=4, ~6811=1 HB3 SER 112 - H ALA 43 lone 5 57 - 9 - 3.9/175=4, ~6811=1 HB THR 62 - H ALA 43 lone 3 99 - 3 - HA ILE 34 - H ALA 43 lone 3 89 - 3 - HA SER 74 - H ALA 43 lone 2 63 - 3 - HA2 GLY 25 - H ALA 43 lone 1 93 - 2 - HA2 GLY 2 - H ALA 43 lone 1 89 - 1 - HA3 GLY 2 - H ALA 43 lone 1 89 - 1 - Peak 959 from nnoeabs.peaks (1.34, 7.50, 118.06 ppm; 2.75 A): 3 out of 9 assignments used, quality = 0.95: * QB ALA 43 + H ALA 43 OK 88 100 - 88 - 2.9=83, 3.6/183=12...(7) HG2 LYS 46 + H ALA 43 OK 34 100 - 34 - 2861/3.0=4, 3.9/1595=4...(17) HG3 LYS 46 + H ALA 43 OK 34 100 - 34 - 2861/3.0=4, 3.9/1595=4...(17) QG2 THR 17 - H ALA 43 OK 15 100 - 15 - 2.1/1597=3, ~6020=2...(6) HB3 LEU 59 - H ALA 43 lone 3 96 - 3 - QG2 THR 23 - H ALA 43 lone 3 89 - 3 - HB3 LEU 84 - H ALA 43 lone 3 73 - 4 - 3.0/6802=1 HG3 LYS 119 - H ALA 43 lone 2 93 - 3 - HG CYS 87 - H ALA 43 lone 1 81 - 1 - Peak 960 from nnoeabs.peaks (7.95, 7.95, 112.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 44 + H SER 44 OK 100 100 - 100 Peak 961 from nnoeabs.peaks (4.07, 7.95, 112.45 ppm; 3.54 A): 1 out of 9 assignments used, quality = 1.00: * HA SER 44 + H SER 44 OK 100 100 - 100 - 2.9=100 HA SER 112 - H SER 44 OK 22 98 - 22 - 3.0/1602=5, 6225=3...(7) HA LYS 109 - H SER 44 OK 20 92 - 22 - 3.0/183=4, 6206/3.6=3...(6) HD3 PRO 37 - H SER 44 OK 12 73 - 16 - 1.8/962=3, 2870/4.0=2...(6) HA LEU 55 - H SER 44 lone 9 97 - 9 - 6811/3.6=1 HA TYR 102 - H SER 44 poor 9 81 - 11 - 187/4.6=1, 7737/3.6=1 HA LYS 31 - H SER 44 lone 3 92 - 3 - HA VAL 120 - H SER 44 lone 3 92 - 3 - HA LEU 24 - H SER 44 lone 2 60 - 3 - Peak 962 from nnoeabs.peaks (3.46, 7.95, 112.45 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.76: * HB2 SER 44 + H SER 44 OK 73 100 - 73 - 4.0=66, 4.6/1453=10...(5) HD3 PRO 70 + H SER 44 OK 13 100 - 13 - 2867/2.9=4, 2875/4.0=3...(4) HD2 PRO 37 - H SER 44 poor 8 65 - 12 - 2867/2.9=3, 1.8/961=2...(4) HA VAL 18 - H SER 44 lone 8 76 - 10 - 2875/4.0=2, 2867/2.9=2...(4) Peak 963 from nnoeabs.peaks (3.50, 7.95, 112.45 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.78: * HB3 SER 44 + H SER 44 OK 72 100 - 72 - 4.0=63, 4.6/1453=10...(6) HA LEU 84 + H SER 44 OK 13 100 - 13 - 2868/2.9=2, 6802/4.6=2...(5) HA VAL 18 + H SER 44 OK 10 87 - 12 - 2868/2.9=2, 2872/4.0=2...(5) HB2 PHE 83 - H SER 44 poor 9 85 - 10 - 1.8/1601=3, 6802/4.6=2...(5) HB2 PHE 96 - H SER 44 lone 3 87 - 4 - Peak 964 from nnoeabs.peaks (7.78, 7.78, 117.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + H LEU 45 OK 100 100 - 100 Peak 965 from nnoeabs.peaks (4.59, 7.78, 117.28 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 45 + H LEU 45 OK 100 100 - 100 - 3.0=100 HA ASP 47 - H LEU 45 OK 41 93 - 44 - 3.0/186=12, 5592=6...(12) HA TRP 20 - H LEU 45 OK 30 100 - 30 - 3.0/1607=5, 2892/4.0=4...(10) HA GLU 69 - H LEU 45 OK 26 92 - 28 - 3.8/188=4, 5592=4...(12) Peak 966 from nnoeabs.peaks (1.75, 7.78, 117.28 ppm; 3.54 A): 2 out of 16 assignments used, quality = 0.95: * HB2 LEU 45 + H LEU 45 OK 87 100 - 87 - 4.0=69, 4.3/1454=14...(11) HB3 LYS 46 + H LEU 45 OK 60 100 - 60 - 4.0/1454=15, 3.0/1608=10...(17) HG2 GLN 42 - H LEU 45 OK 24 99 - 24 - 3.9/6030=9, 6856=3...(8) HG3 ARG 71 - H LEU 45 OK 21 100 - 21 - 3.0/1607=4, 2893/4.0=2...(9) HG2 ARG 71 - H LEU 45 OK 20 97 - 20 - 3.0/1607=4, 2893/4.0=2...(9) HD2 LYS 109 - H LEU 45 OK 11 98 - 12 - 192/4.5=1 HB3 ARG 71 - H LEU 45 OK 11 71 - 16 - 3.6/1607=3, 1.8/968=3...(4) HD3 LYS 109 - H LEU 45 OK 11 96 - 11 - 192/4.5=1 HG3 PRO 30 - H LEU 45 poor 10 97 - 10 - 8246/4.7=1, 2893/4.0=1 HB2 LEU 91 - H LEU 45 lone 6 85 - 7 - HB2 GLU 75 - H LEU 45 lone 5 78 - 7 - 3957/4.0=1 HG LEU 117 - H LEU 45 lone 5 98 - 5 - HB VAL 66 - H LEU 45 lone 5 99 - 5 - 3665/4.6=1 HB2 ARG 53 - H LEU 45 lone 4 96 - 5 - HB2 LYS 31 - H LEU 45 lone 4 60 - 6 - HB2 LEU 117 - H LEU 45 lone 3 83 - 4 - Peak 967 from nnoeabs.peaks (1.45, 7.78, 117.28 ppm; 3.87 A): 2 out of 15 assignments used, quality = 0.98: * HB3 LEU 45 + H LEU 45 OK 96 100 - 96 - 4.0=90, 4.3/1454=16...(9) HD2 LYS 46 + H LEU 45 OK 50 99 - 51 - 5.7/1454=10, 3.5/6856=7...(14) HB3 LEU 101 - H LEU 45 OK 32 97 - 33 - 3.1/7725=12, 3.1/7728=8...(8) HG LEU 24 - H LEU 45 OK 22 100 - 22 - 2.1/970=5, 2220/4.7=3...(8) HD2 LYS 65 - H LEU 45 OK 16 99 - 17 - 2.9/6837=3, 2.9/6837=3...(5) HD3 LYS 65 - H LEU 45 OK 16 99 - 17 - 2.9/6837=3, 2.9/6837=3...(5) HB3 GLU 75 - H LEU 45 lone 9 100 - 9 - 2887/4.0=1, 2880/3.0=1 HG2 LYS 119 - H LEU 45 lone 8 97 - 8 - 193/4.5=1 HG3 LYS 31 - H LEU 45 lone 7 95 - 8 - 1.8/6838=1 HB3 LEU 91 - H LEU 45 lone 6 81 - 8 - HG3 ARG 57 - H LEU 45 lone 6 89 - 7 - 7039/4.7=2 QB ALA 14 - H LEU 45 lone 5 92 - 5 - QB ALA 89 - H LEU 45 lone 4 97 - 5 - 2.9/186=1 QB ALA 98 - H LEU 45 lone 4 65 - 7 - 7667/4.7=2 HB2 LEU 93 - H LEU 45 lone 4 92 - 4 - Peak 968 from nnoeabs.peaks (1.97, 7.78, 117.28 ppm; 3.46 A): 5 out of 19 assignments used, quality = 0.93: * HG LEU 45 + H LEU 45 OK 67 100 - 67 - 5.2=30, 2.1/970=15...(9) HB ILE 124 + H LEU 45 OK 42 97 - 43 - 5341=12, 2.1/5348=8...(14) HB2 LYS 46 + H LEU 45 OK 37 68 - 55 - 4.0/1454=14, 3.0/1608=10...(17) HB2 LEU 41 + H LEU 45 OK 26 97 - 27 - 3.0/1608=6, 8261/4.7=4...(9) HB2 ARG 71 + H LEU 45 OK 19 100 - 19 - 3.6/1607=3, 3.0/966=2...(10) HG2 PRO 68 - H LEU 45 lone 8 99 - 8 - 2.3/1605=1, 2.3/1605=1 HB3 PRO 68 - H LEU 45 lone 8 97 - 8 - 3.0/1605=1, 3.0/1605=1 HB3 GLN 103 - H LEU 45 lone 8 97 - 8 - 4.6/1454=2, 194/4.5=1 HB3 GLU 69 - H LEU 45 poor 7 63 - 11 - 3.0/965=3, 4.8/188=2...(4) HG LEU 114 - H LEU 45 lone 7 99 - 7 - 194/4.5=2 HB3 PRO 30 - H LEU 45 lone 6 73 - 8 - 2888/4.0=1, 2.3/966=1 HB2 MET 11 - H LEU 45 lone 4 93 - 4 - HB2 LEU 55 - H LEU 45 lone 3 60 - 5 - 3.0/187=1 HB3 LYS 119 - H LEU 45 lone 3 63 - 4 - HB3 ARG 85 - H LEU 45 lone 2 73 - 3 - 3.0/1605=1 HB2 ARG 85 - H LEU 45 lone 2 73 - 3 - 3.0/1605=1 HG2 PRO 60 - H LEU 45 lone 2 81 - 3 - HB3 GLU 94 - H LEU 45 lone 2 87 - 2 - HB2 GLU 94 - H LEU 45 lone 1 68 - 2 - Peak 969 from nnoeabs.peaks (0.55, 7.78, 117.28 ppm; 3.82 A): 4 out of 4 assignments used, quality = 0.95: * QD2 LEU 45 + H LEU 45 OK 85 100 - 86 - 4.7=55, 2.1/970=19...(12) QG1 VAL 50 + H LEU 45 OK 35 96 - 37 - 2882/3.0=7, 2905=5...(10) HG12 ILE 34 + H LEU 45 OK 35 100 - 35 - 2882/3.0=6, 2889/4.0=5...(10) QD2 LEU 77 + H LEU 45 OK 17 87 - 19 - 6828/3.6=3, 2882/3.0=2...(10) Peak 970 from nnoeabs.peaks (0.65, 7.78, 117.28 ppm; 3.81 A): 5 out of 5 assignments used, quality = 0.92: * QD1 LEU 45 + H LEU 45 OK 82 100 - 82 - 4.7=55, 2.1/969=17...(9) QD1 LEU 21 + H LEU 45 OK 25 98 - 25 - 2883/3.0=4, 2897/4.0=3...(7) QD2 LEU 24 + H LEU 45 OK 22 87 - 25 - 2883/3.0=4, 2897/4.0=4...(8) QG2 VAL 26 + H LEU 45 OK 14 83 - 16 - 2883/3.0=2, 2897/4.0=2...(7) QD1 LEU 51 + H LEU 45 OK 13 76 - 18 - 2890/4.0=3, 2897/4.0=3...(7) Peak 971 from nnoeabs.peaks (6.90, 6.90, 121.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 46 + H LYS 46 OK 100 100 - 100 Peak 972 from nnoeabs.peaks (3.64, 6.90, 121.36 ppm; 3.33 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 46 + H LYS 46 OK 100 100 - 100 - 2.9=100 HA LEU 41 - H LYS 46 OK 31 99 - 31 - 1608/4.5=4, 2930/4.0=3...(14) HA ILE 80 - H LYS 46 OK 22 100 - 22 - 4.1/7399=4, 1608/4.5=2...(8) HA VAL 115 - H LYS 46 OK 13 83 - 16 - 2930/4.0=2, 2940/4.0=2...(5) HD2 PRO 70 - H LYS 46 lone 7 68 - 10 - 198/4.6=2, 3.8/191=1 HA LEU 111 - H LYS 46 lone 3 57 - 6 - Peak 973 from nnoeabs.peaks (2.00, 6.90, 121.36 ppm; 3.12 A): 7 out of 14 assignments used, quality = 0.94: * HB2 LYS 46 + H LYS 46 OK 75 100 - 75 - 4.0=47, 1.8/2939=12...(21) HG LEU 45 + H LYS 46 OK 26 68 - 38 - 2.1/5582=9, 2.1/195=7...(10) HG LEU 114 + H LYS 46 OK 25 87 - 29 - 2.1/7949=8, 3.0/7951=4...(8) HB2 LEU 41 + H LYS 46 OK 23 92 - 25 - 3.0/972=4, 2785/2.9=4...(9) HB3 GLN 103 + H LYS 46 OK 19 92 - 21 - 3.0/4747=3, 3.0/4755=3...(9) HB ILE 124 + H LYS 46 OK 18 92 - 20 - 4.0/190=4, 5341/4.5=3...(6) HB3 PRO 68 + H LYS 46 OK 10 92 - 11 - 3.0/6862=2, 3.0/6862=2 HG2 PRO 68 - H LYS 46 poor 10 87 - 11 - 2.3/6862=2, 2.3/6862=2 HB2 MET 11 - H LYS 46 lone 9 96 - 10 - 2929=2, 2930/2.9=2 HB2 LEU 55 - H LYS 46 lone 7 100 - 7 - 3.0/6863=1 HB2 ARG 71 - H LYS 46 lone 6 73 - 8 - HB3 ARG 53 - H LYS 46 lone 4 71 - 6 - HG2 PRO 60 - H LYS 46 lone 3 100 - 3 - HB2 GLU 94 - H LYS 46 lone 2 100 - 2 - Peak 974 from nnoeabs.peaks (1.75, 6.90, 121.36 ppm; 3.15 A): 2 out of 16 assignments used, quality = 0.92: * HB3 LYS 46 + H LYS 46 OK 76 100 - 76 - 4.0=48, 1.8/2929=12...(20) HB2 LEU 45 + H LYS 46 OK 67 100 - 67 - 4.3=41, 4.0/1454=12...(13) HD2 LYS 109 - H LYS 46 OK 16 97 - 16 - 2922/2.9=2, 2932/4.0=2...(7) HD3 LYS 109 - H LYS 46 OK 15 93 - 16 - 2922/2.9=2, 2932/4.0=2...(6) HG2 GLN 42 - H LYS 46 OK 15 99 - 15 - 2939=2, 2922/2.9=2...(4) HG3 ARG 71 - H LYS 46 OK 10 100 - 10 - 2893/4.3=2, 2879/3.6=1 HG2 ARG 71 - H LYS 46 lone 10 99 - 10 - 2893/4.3=2, 2879/3.6=1 HG LEU 117 - H LYS 46 lone 7 97 - 7 - 2.1/7999=2 HB2 ARG 53 - H LYS 46 lone 7 97 - 7 - HG3 PRO 30 - H LYS 46 lone 6 96 - 7 - HB2 LEU 117 - H LYS 46 lone 5 78 - 7 - 3.1/7999=2 HB3 ARG 71 - H LYS 46 lone 5 76 - 7 - 1.8/194=1 HB2 LEU 91 - H LYS 46 lone 4 89 - 5 - HB2 GLU 75 - H LYS 46 lone 4 73 - 5 - HB VAL 66 - H LYS 46 lone 3 100 - 3 - HB2 LYS 31 - H LYS 46 lone 3 65 - 4 - Peak 975 from nnoeabs.peaks (1.33, 6.90, 121.36 ppm; 3.61 A): 3 out of 9 assignments used, quality = 0.98: * HG2 LYS 46 + H LYS 46 OK 79 100 - 79 - 5.1=35, 2.9/2939=12...(22) HG3 LYS 46 + H LYS 46 OK 79 100 - 79 - 5.1=35, 2.9/2939=12...(22) QB ALA 43 + H LYS 46 OK 59 100 - 59 - 2.1/6812=13, 6814=11...(14) QG2 THR 17 - H LYS 46 OK 26 100 - 26 - 6345=9, 6338/4.0=3...(6) HG3 LYS 119 - H LYS 46 OK 19 98 - 19 - 2924/2.9=3, 1.8/977=2...(9) QG2 THR 23 - H LYS 46 OK 14 96 - 14 - 8199/3.6=5, 3.2/6862=2 HB3 LEU 59 - H LYS 46 lone 4 89 - 5 - HB3 LEU 84 - H LYS 46 lone 4 85 - 5 - HG CYS 87 - H LYS 46 lone 2 90 - 2 - Peak 976 from nnoeabs.peaks (1.33, 6.90, 121.36 ppm; 3.61 A): 3 out of 9 assignments used, quality = 0.98: HG2 LYS 46 + H LYS 46 OK 79 100 - 79 - 5.1=35, 2.9/2939=12...(22) * HG3 LYS 46 + H LYS 46 OK 79 100 - 79 - 5.1=35, 2.9/2939=12...(22) QB ALA 43 + H LYS 46 OK 59 100 - 59 - 2.1/6812=13, 6814=11...(14) QG2 THR 17 - H LYS 46 OK 26 100 - 26 - 6345=9, 6338/4.0=3...(6) HG3 LYS 119 - H LYS 46 OK 19 98 - 19 - 2924/2.9=3, 1.8/977=2...(9) QG2 THR 23 - H LYS 46 OK 14 96 - 14 - 8199/3.6=5, 3.2/6862=2 HB3 LEU 59 - H LYS 46 lone 4 89 - 5 - HB3 LEU 84 - H LYS 46 lone 4 85 - 5 - HG CYS 87 - H LYS 46 lone 2 90 - 2 - Peak 977 from nnoeabs.peaks (1.46, 6.90, 121.36 ppm; 3.90 A): 2 out of 16 assignments used, quality = 0.98: HB3 LEU 45 + H LYS 46 OK 90 99 - 91 - 4.3=78, 4.0/1454=18...(14) * HD2 LYS 46 + H LYS 46 OK 81 100 - 81 - 5.7=32, 3.5/2939=12...(21) HB3 LEU 101 - H LYS 46 OK 34 85 - 40 - 3.1/7721=14, ~6859=4...(12) HD3 LYS 65 - H LYS 46 OK 32 92 - 35 - 2.9/6858=5, 2.9/6858=5...(17) HD2 LYS 65 - H LYS 46 OK 32 92 - 35 - 2.9/6858=5, 2.9/6858=5...(17) HG2 LYS 119 - H LYS 46 OK 28 100 - 28 - 2925/2.9=3, 1.8/976=3...(13) HG LEU 24 - H LYS 46 OK 21 99 - 21 - 2.1/196=5, 2880/3.6=2...(8) HG2 LYS 109 - H LYS 46 OK 18 78 - 23 - 3.7/6863=3, 1.8/978=3...(10) QB ALA 14 - H LYS 46 OK 13 99 - 13 - 6306/5.1=2, 6306/5.1=2...(4) HB3 GLU 75 - H LYS 46 lone 9 99 - 9 - 2887/4.3=1, 2880/3.6=1 HG3 LYS 31 - H LYS 46 lone 8 100 - 8 - HG3 ARG 57 - H LYS 46 lone 7 98 - 7 - HB3 LEU 58 - H LYS 46 lone 6 60 - 9 - 3.1/6858=3, 3.1/6858=2 HB2 LEU 93 - H LYS 46 lone 5 99 - 5 - HB3 LEU 91 - H LYS 46 lone 4 60 - 6 - QB ALA 89 - H LYS 46 lone 3 87 - 4 - Peak 978 from nnoeabs.peaks (1.53, 6.90, 121.36 ppm; 4.47 A): 3 out of 9 assignments used, quality = 0.96: * HD3 LYS 46 + H LYS 46 OK 89 100 - 89 - 5.7=49, 3.5/2939=15...(22) HB3 LYS 65 + H LYS 46 OK 37 90 - 41 - 3.0/6858=6, 3.0/6858=6...(15) HB2 LYS 65 + H LYS 46 OK 37 90 - 41 - 3.0/6858=6, 3.0/6858=6...(15) HB3 LEU 114 - H LYS 46 OK 34 63 - 55 - 3.1/7949=12, 1.8/7952=11...(16) HG3 LYS 109 - H LYS 46 OK 27 81 - 34 - 3.7/6863=4, 2926/2.9=4...(15) HG12 ILE 124 - H LYS 46 OK 21 73 - 29 - 4.9/190=5, ~8585=5...(9) HB2 LEU 24 - H LYS 46 OK 17 78 - 22 - 3.1/196=6, 3.0/193=2...(8) HG2 ARG 92 - H LYS 46 lone 4 87 - 5 - HG3 ARG 92 - H LYS 46 lone 4 83 - 5 - Peak 981 from nnoeabs.peaks (7.92, 7.92, 110.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 47 + H ASP 47 OK 100 100 - 100 Peak 982 from nnoeabs.peaks (4.58, 7.92, 110.25 ppm; 3.50 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 - 100 - 3.0=100 HA LEU 45 - H ASP 47 OK 42 93 - 45 - 3.6/197=14, 3.0/1456=10...(14) HA GLU 69 - H ASP 47 OK 32 100 - 32 - 3009=7, 3.0/6894=6...(13) HA TRP 20 - H ASP 47 lone 7 90 - 8 - 191/4.6=1 HB THR 121 - H ASP 47 lone 4 85 - 5 - 6264/4.0=2 HA ASN 99 - H ASP 47 lone 3 76 - 4 - 3.6/6894=2 Peak 983 from nnoeabs.peaks (3.54, 7.92, 110.25 ppm; 3.68 A): 2 out of 6 assignments used, quality = 0.89: * HB2 ASP 47 + H ASP 47 OK 87 100 - 87 - 4.0=76, 1.8/984=35, 4.2/207=16 HD2 PRO 60 + H ASP 47 OK 10 98 - 11 - 3019/4.0=3, 3011/3.0=3...(4) HA ASN 118 - H ASP 47 lone 7 99 - 7 - 6263/3.0=3, 3019/4.0=2 HA LEU 51 - H ASP 47 lone 4 85 - 5 - 209/4.4=3 HB2 PHE 96 - H ASP 47 lone 2 65 - 3 - HB2 PHE 83 - H ASP 47 lone 2 68 - 3 - 6128/3.6=1 Peak 984 from nnoeabs.peaks (2.59, 7.92, 110.25 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.78: * HB3 ASP 47 + H ASP 47 OK 78 100 - 78 - 4.0=64, 1.8/983=26, 4.2/207=14 HB3 ASP 97 - H ASP 47 lone 9 96 - 9 - 7647/4.0=5, 3012/3.0=4 Peak 985 from nnoeabs.peaks (7.77, 7.77, 103.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 48 + H GLY 48 OK 100 100 - 100 Peak 986 from nnoeabs.peaks (3.58, 7.77, 103.67 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 48 + H GLY 48 OK 100 100 - 100 - 3.0=100 HA LEU 51 - H GLY 48 OK 17 78 - 21 - 2.9/8278=4, 4.0/6881=4...(8) HD2 PRO 70 - H GLY 48 poor 10 60 - 16 - 7246/3.6=4, 3.8/208=4...(5) HA GLU 75 - H GLY 48 lone 7 100 - 7 - 3025/3.0=2, 212/4.6=1 HA2 GLY 39 - H GLY 48 lone 3 78 - 4 - HA LEU 111 - H GLY 48 lone 3 71 - 4 - Peak 987 from nnoeabs.peaks (4.25, 7.77, 103.67 ppm; 3.99 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 48 + H GLY 48 OK 100 100 - 100 - 3.0=100 HB THR 19 - H GLY 48 OK 24 100 - 24 - 3023/3.0=4, 2.1/6878=4...(10) HA VAL 26 - H GLY 48 OK 20 65 - 30 - 3.2/6881=6, 3.2/6881=6...(9) HA LEU 58 - H GLY 48 OK 11 99 - 11 - 4.0/6879=4, 4.0/6879=3 HA CYS 52 - H GLY 48 poor 7 68 - 11 - 213/4.6=4, 3023/3.0=1...(4) HA THR 17 - H GLY 48 lone 4 95 - 5 - HA ALA 122 - H GLY 48 lone 4 73 - 5 - 3.6/1526=2, 8095=2 HA GLU 94 - H GLY 48 lone 4 73 - 5 - 3.6/8278=2 HA ALA 89 - H GLY 48 lone 3 100 - 3 - HA GLU 64 - H GLY 48 lone 2 96 - 2 - HA GLN 103 - H GLY 48 lone 1 63 - 2 - Peak 988 from nnoeabs.peaks (8.25, 8.25, 122.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 49 + H VAL 49 OK 100 100 - 100 Peak 989 from nnoeabs.peaks (3.26, 8.25, 122.68 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 49 + H VAL 49 OK 100 100 - 100 - 3.0=100 Peak 990 from nnoeabs.peaks (2.19, 8.25, 122.68 ppm; 3.48 A): 4 out of 6 assignments used, quality = 0.92: * HB VAL 49 + H VAL 49 OK 85 100 - 85 - 3.9=68, 2.1/991=19...(9) HB VAL 26 + H VAL 49 OK 25 99 - 25 - 3032=6, 3033/3.0=5...(9) HG12 ILE 80 + H VAL 49 OK 16 73 - 22 - 1.8/991=5, 6877/4.6=4...(9) HG2 PRO 37 + H VAL 49 OK 11 92 - 11 - 3029/3.0=3, 3039/4.0=2...(6) HB3 PRO 37 - H VAL 49 lone 6 63 - 9 - 3033/3.0=2, 3032=2...(4) HB2 GLU 73 - H VAL 49 lone 5 100 - 5 - 3029/3.0=1, 3039/4.0=1 Peak 991 from nnoeabs.peaks (0.88, 8.25, 122.68 ppm; 3.30 A): 5 out of 8 assignments used, quality = 0.89: * QG1 VAL 49 + H VAL 49 OK 81 100 - 81 - 4.0=55, 2.1/990=17...(11) HG13 ILE 80 + H VAL 49 OK 19 95 - 20 - 6885/3.6=4, 6892/3.6=4...(8) QD1 ILE 124 + H VAL 49 OK 12 100 - 12 - 5369/4.6=3, 6885/3.6=2...(4) QD2 LEU 41 + H VAL 49 OK 10 99 - 11 - 3030/3.0=3, 3035/3.9=1...(4) QD2 LEU 126 + H VAL 49 OK 10 97 - 11 - 3030/3.0=2, 5422/4.0=2...(4) QD1 LEU 117 - H VAL 49 poor 9 65 - 14 - 2.1/6896=4, 3030/3.0=2...(5) QD1 LEU 126 - H VAL 49 lone 5 68 - 7 - 5416/4.0=2, 3030/3.0=1, ~3030=1 QD2 LEU 59 - H VAL 49 lone 4 100 - 4 - Peak 992 from nnoeabs.peaks (0.92, 8.25, 122.68 ppm; 3.04 A): 3 out of 11 assignments used, quality = 0.78: * QG2 VAL 49 + H VAL 49 OK 70 100 - 70 - 4.0=43, 2.1/990=15...(8) QD1 LEU 117 + H VAL 49 OK 16 97 - 17 - 3043/3.0=4, 3042=4...(6) QD1 LEU 55 + H VAL 49 OK 12 92 - 13 - 3043/3.0=3, 3042=3...(5) QD1 LEU 41 - H VAL 49 lone 7 96 - 8 - 3031/3.0=2, 3041/4.0=2, ~3030=1 QD2 LEU 27 - H VAL 49 lone 7 100 - 7 - 6526/6918=1, 3031/3.0=1 QD1 ILE 63 - H VAL 49 lone 7 81 - 8 - 3031/3.0=2, ~6900=1 QD1 LEU 126 - H VAL 49 lone 6 96 - 6 - 5416/4.0=2, 3031/3.0=1 QD1 LEU 27 - H VAL 49 lone 5 99 - 5 - QG2 VAL 115 - H VAL 49 lone 5 100 - 5 - QG2 ILE 22 - H VAL 49 lone 4 100 - 4 - HB2 GLN 42 - H VAL 49 lone 4 100 - 4 - Peak 993 from nnoeabs.peaks (8.85, 8.85, 119.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 50 + H VAL 50 OK 100 100 - 100 Peak 994 from nnoeabs.peaks (3.39, 8.85, 119.41 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 50 + H VAL 50 OK 100 100 - 100 - 3.0=100 HA LEU 21 - H VAL 50 OK 34 99 - 34 - 3063/4.0=6, 3053/4.0=5...(10) HA2 GLY 86 - H VAL 50 OK 16 85 - 19 - 3053/4.0=3, 220/4.6=2...(8) Peak 995 from nnoeabs.peaks (1.88, 8.85, 119.41 ppm; 3.82 A): 1 out of 15 assignments used, quality = 0.96: * HB VAL 50 + H VAL 50 OK 96 100 - 96 - 4.0=89, 2.1/3062=30...(6) HG LEU 55 - H VAL 50 OK 23 100 - 23 - ~7015=4, 2.1/218=4...(10) HB2 LYS 119 - H VAL 50 lone 8 100 - 8 - 8032/4.0=3, 3049/3.0=2...(4) HG3 PRO 68 - H VAL 50 lone 8 92 - 8 - 5693/4.7=3 HG LEU 84 - H VAL 50 lone 7 100 - 7 - 221/4.6=1, 3049/3.0=1 HB3 GLU 73 - H VAL 50 lone 6 68 - 8 - 1.8/216=3, ~6915=1, 3049/3.0=1 HB3 GLU 28 - H VAL 50 lone 6 92 - 6 - 3064/4.0=1, 3049/3.0=1 HB2 GLU 28 - H VAL 50 lone 6 85 - 7 - 3064/4.0=1 HB3 LYS 31 - H VAL 50 lone 5 100 - 5 - 3049/3.0=1 HB2 LEU 84 - H VAL 50 lone 5 87 - 5 - 221/4.6=1, 3049/3.0=1 HB3 LYS 109 - H VAL 50 lone 4 85 - 5 - 4.0/544=2, 4.6/1745=1 HB2 ARG 81 - H VAL 50 lone 4 76 - 6 - 4.3/1459=1 HB2 LEU 58 - H VAL 50 lone 4 95 - 4 - HB ILE 22 - H VAL 50 lone 4 73 - 5 - 2.1/218=1 HB2 ARG 92 - H VAL 50 lone 3 98 - 3 - Peak 996 from nnoeabs.peaks (0.57, 8.85, 119.41 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.95: * QG1 VAL 50 + H VAL 50 OK 93 100 - 93 - 4.0=82, 2.1/3062=30...(7) QD2 LEU 45 + H VAL 50 OK 28 96 - 30 - 3050/3.0=7, 3057=6...(6) QD2 LEU 77 - H VAL 50 OK 12 99 - 12 - 3050/3.0=3, 3055/4.0=3...(4) HG12 ILE 34 - H VAL 50 lone 9 90 - 10 - 222/4.6=3, 3050/3.0=2...(4) Peak 997 from nnoeabs.peaks (1.13, 8.85, 119.41 ppm; 3.31 A): 3 out of 5 assignments used, quality = 0.89: * QG2 VAL 50 + H VAL 50 OK 83 100 - 83 - 4.0=55, 3063/3.0=19...(9) QD2 LEU 117 + H VAL 50 OK 26 100 - 26 - 8493/4.3=5, 3051/3.0=5...(11) HB3 LEU 54 + H VAL 50 OK 16 81 - 19 - 3051/3.0=4, ~6991=3...(7) QG2 VAL 120 - H VAL 50 lone 7 96 - 7 - 3051/3.0=2, 3056/4.0=1 QG2 THR 62 - H VAL 50 poor 7 68 - 10 - 7112/3.0=3, 4.0/1459=2...(4) Peak 998 from nnoeabs.peaks (8.42, 8.42, 117.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 51 + H LEU 51 OK 100 100 - 100 Peak 999 from nnoeabs.peaks (3.56, 8.42, 117.45 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 51 + H LEU 51 OK 100 100 - 100 - 2.9=100 HA2 GLY 48 - H LEU 51 OK 28 78 - 35 - 3.6/1609=12, 1.8/6895=5...(12) HD2 PRO 60 - H LEU 51 OK 25 97 - 26 - 3075/3.9=4, 3082/3.9=4...(13) HA ASN 118 - H LEU 51 OK 24 97 - 25 - 3075/3.9=3, 3082/3.9=3...(13) HA GLU 75 - H LEU 51 poor 7 71 - 10 - 3.6/1460=2, 225/4.6=1 HB2 ASP 47 - H LEU 51 lone 7 85 - 8 - 4.2/8278=2 Peak 1000 from nnoeabs.peaks (1.42, 8.42, 117.45 ppm; 4.02 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 51 + H LEU 51 OK 100 100 - 100 - 3.9=100 HB2 LEU 27 - H LEU 51 OK 19 76 - 26 - 6517/4.8=4, 8242/4.3=4...(9) QB ALA 98 - H LEU 51 OK 19 100 - 19 - 7667/4.3=5, 3069/2.9=2...(8) HB3 LEU 101 - H LEU 51 OK 17 85 - 20 - 3083/3.9=4, 3104/4.8=3...(8) HB VAL 110 - H LEU 51 OK 16 68 - 23 - 2.1/1003=6, ~3072=4...(8) HG LEU 59 - H LEU 51 OK 14 87 - 17 - 3069/2.9=3, 3.0/1002=2...(8) HB3 LEU 91 - H LEU 51 lone 8 98 - 8 - 3069/2.9=1, 226/4.6=1 QB ALA 122 - H LEU 51 lone 8 99 - 8 - ~1806=2, 3069/2.9=1 QB ALA 89 - H LEU 51 lone 7 83 - 8 - 6162/3.6=2 HD2 LYS 65 - H LEU 51 lone 3 76 - 4 - 5.5/7160=1 HD3 LYS 65 - H LEU 51 lone 3 76 - 4 - 5.5/7160=1 Peak 1001 from nnoeabs.peaks (0.45, 8.42, 117.45 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + H LEU 51 OK 100 100 - 100 - 3.9=100 Peak 1002 from nnoeabs.peaks (1.63, 8.42, 117.45 ppm; 3.76 A): 7 out of 15 assignments used, quality = 0.90: * HG LEU 51 + H LEU 51 OK 70 100 - 70 - 5.1=40, 2.1/3095=17...(7) HB ILE 34 + H LEU 51 OK 27 95 - 29 - 2600/4.8=5, 2.9/222=5...(10) HG LEU 27 + H LEU 51 OK 16 87 - 18 - 6560/4.3=4, 3.0/1000=2...(9) HB2 LEU 59 + H LEU 51 OK 16 97 - 16 - 4.8/999=2, 3071/2.9=2...(9) HG LEU 101 + H LEU 51 OK 16 92 - 17 - 3106/4.8=2, 3078/3.9=2...(8) HG3 ARG 85 + H LEU 51 OK 14 97 - 15 - 3088=3, 3091/3.9=3...(7) HG2 ARG 53 + H LEU 51 OK 14 73 - 19 - 5.0/1619=6, 8291/3.6=4...(6) HG2 PRO 30 - H LEU 51 poor 9 81 - 11 - 6606/4.8=3, 3078/3.9=1...(4) HB3 LEU 41 - H LEU 51 poor 8 78 - 10 - 4.1/1613=2, 6750/4.8=1 HB3 GLN 42 - H LEU 51 lone 6 100 - 6 - HD3 LYS 31 - H LEU 51 lone 4 95 - 4 - HD2 LYS 31 - H LEU 51 lone 4 95 - 4 - HB3 LYS 32 - H LEU 51 lone 3 100 - 3 - HD3 LYS 32 - H LEU 51 lone 2 73 - 2 - HD2 LYS 32 - H LEU 51 lone 2 73 - 2 - Peak 1003 from nnoeabs.peaks (0.16, 8.42, 117.45 ppm; 3.97 A): 4 out of 4 assignments used, quality = 0.93: * QD2 LEU 51 + H LEU 51 OK 82 100 - 82 - 4.8=58, 3096/2.9=20...(9) QD1 ILE 34 + H LEU 51 OK 29 78 - 36 - 2.1/222=6, 3072/2.9=6...(11) QG1 VAL 110 + H LEU 51 OK 28 83 - 34 - 7876/4.8=9, 3072/2.9=7...(8) QD2 LEU 84 + H LEU 51 OK 18 83 - 22 - 3072/2.9=3, 2.1/221=3...(9) Peak 1004 from nnoeabs.peaks (0.62, 8.42, 117.45 ppm; 3.78 A): 4 out of 4 assignments used, quality = 0.93: * QD1 LEU 51 + H LEU 51 OK 76 100 - 76 - 4.8=49, 2.1/3095=18...(7) QG2 VAL 26 + H LEU 51 OK 41 100 - 41 - 8215/3.6=11, 8227/4.3=6...(12) QG1 VAL 26 + H LEU 51 OK 36 97 - 37 - 6508/3.6=7, 3073/2.9=6...(11) QD1 LEU 45 + H LEU 51 OK 28 76 - 36 - 2.1/222=9, ~8426=4...(11) Peak 1005 from nnoeabs.peaks (7.57, 7.57, 116.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 52 + H CYS 52 OK 100 100 - 100 Peak 1006 from nnoeabs.peaks (4.22, 7.57, 116.46 ppm; 3.71 A): 1 out of 11 assignments used, quality = 1.00: * HA CYS 52 + H CYS 52 OK 100 100 - 100 - 3.0=100 HA VAL 66 - H CYS 52 OK 36 99 - 37 - 3.2/7197=9, 3114/4.0=6...(11) HA VAL 26 - H CYS 52 OK 26 100 - 26 - 3.2/230=5, 3.2/230=5...(10) HA ILE 22 - H CYS 52 OK 16 99 - 17 - 4.9/1614=4, 3.2/6945=1...(5) HA THR 17 - H CYS 52 OK 15 95 - 16 - 6343=5, 3.2/6344=3 HA3 GLY 48 - H CYS 52 poor 9 68 - 14 - 6895/4.6=3, 1.8/225=2 HA LEU 126 - H CYS 52 lone 8 95 - 8 - 232/4.6=1, 3118/4.0=1 HA SER 13 - H CYS 52 lone 7 99 - 7 - 232/4.6=1 HB THR 19 - H CYS 52 lone 3 65 - 5 - 4.4/836=2 HA ALA 89 - H CYS 52 lone 3 81 - 4 - HA3 GLY 61 - H CYS 52 lone 1 63 - 1 - Peak 1007 from nnoeabs.peaks (2.45, 7.57, 116.46 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.95: * HB2 CYS 52 + H CYS 52 OK 94 100 - 94 - 4.0=88, 1.8/1008=19...(9) HB3 CYS 87 + H CYS 52 OK 13 90 - 15 - 3111/3.0=4, 233/4.6=3...(5) HG3 MET 11 - H CYS 52 lone 6 85 - 7 - 3111/3.0=2, 3119/4.0=2 Peak 1008 from nnoeabs.peaks (3.12, 7.57, 116.46 ppm; 3.55 A): 5 out of 7 assignments used, quality = 0.95: * HB3 CYS 52 + H CYS 52 OK 86 100 - 86 - 4.0=71, 1.8/1007=27...(8) HB2 PHE 107 + H CYS 52 OK 24 100 - 24 - 1.8/6946=6, 4.0/1617=5...(8) HD3 ARG 53 + H CYS 52 OK 22 81 - 28 - 6.3/1461=5, 3112/3.0=4...(9) HD3 ARG 57 + H CYS 52 OK 21 99 - 21 - 3112/3.0=3, 3339=2...(10) HB3 CYS 76 + H CYS 52 OK 16 100 - 16 - 3986=4, 1.8/3982=2...(6) HD3 ARG 81 - H CYS 52 lone 6 93 - 7 - 3112/3.0=1 HB3 ASP 100 - H CYS 52 lone 3 100 - 3 - Peak 1009 from nnoeabs.peaks (8.54, 8.54, 120.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 53 + H ARG 53 OK 100 100 - 100 Peak 1010 from nnoeabs.peaks (3.89, 8.54, 120.08 ppm; 3.73 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 53 + H ARG 53 OK 100 100 - 100 - 3.0=100 HB3 ASN 79 - H ARG 53 OK 15 100 - 16 - 3.5/1622=4, ~6064=2...(4) HB THR 62 - H ARG 53 OK 13 65 - 20 - 2.1/7120=7, 4.4/1619=5...(5) HB THR 95 - H ARG 53 OK 12 100 - 12 - 4.1/465=3, 3130/4.0=1 HB3 SER 112 - H ARG 53 OK 10 100 - 10 - 4.5/231=2, 3130/4.0=1 HB2 SER 112 - H ARG 53 OK 10 100 - 10 - 4.5/231=2, 3130/4.0=1 HB2 SER 13 - H ARG 53 poor 9 89 - 11 - 3.0/232=1, 3130/4.0=1 HD2 PRO 68 - H ARG 53 lone 6 71 - 9 - HD3 PRO 68 - H ARG 53 lone 5 65 - 8 - HA THR 33 - H ARG 53 lone 4 65 - 7 - 2.9/1622=2, ~6064=1 HA ILE 34 - H ARG 53 lone 4 90 - 5 - HA2 GLY 2 - H ARG 53 lone 3 90 - 4 - HA3 GLY 2 - H ARG 53 lone 3 90 - 4 - HB THR 33 - H ARG 53 lone 3 68 - 4 - 4.0/1622=1 Peak 1011 from nnoeabs.peaks (1.74, 8.54, 120.08 ppm; 3.68 A): 2 out of 15 assignments used, quality = 0.95: * HB2 ARG 53 + H ARG 53 OK 93 100 - 93 - 4.0=80, 1.8/1012=17...(15) HB VAL 66 + H ARG 53 OK 36 99 - 36 - 8654/4.4=10, 2.1/7202=9...(9) HB3 LEU 55 - H ARG 53 OK 22 73 - 30 - 4.0/1622=7, 1.8/1012=5...(8) HG2 ARG 71 - H ARG 53 OK 16 100 - 16 - 3.0/1015=3, 3123/3.0=2...(9) HG3 ARG 71 - H ARG 53 OK 14 92 - 15 - 3.0/1015=3, 3123/3.0=2...(6) HB2 LEU 91 - H ARG 53 OK 12 99 - 12 - 3.1/6962=2, 6061/3.6=1 HB3 ARG 71 - H ARG 53 OK 11 95 - 12 - 3.6/1015=3, 3123/3.0=1...(4) HG LEU 117 - H ARG 53 OK 11 81 - 13 - 2.1/6960=4, 2.1/6961=2 HG2 GLN 42 - H ARG 53 poor 10 87 - 11 - 5.2/168=2, ~6799=1, 3.0/6961=1 HB3 LYS 46 - H ARG 53 lone 9 97 - 10 - 3123/3.0=1, 1.8/1012=1 HB2 LYS 31 - H ARG 53 poor 9 89 - 10 - 3123/3.0=1 HB2 LEU 45 - H ARG 53 lone 5 96 - 5 - HG3 PRO 30 - H ARG 53 lone 5 78 - 6 - 1.8/1013=1 HD2 LYS 109 - H ARG 53 lone 2 81 - 2 - HD3 LYS 109 - H ARG 53 lone 2 73 - 2 - Peak 1012 from nnoeabs.peaks (2.02, 8.54, 120.08 ppm; 3.54 A): 3 out of 9 assignments used, quality = 0.94: * HB3 ARG 53 + H ARG 53 OK 89 100 - 89 - 4.0=71, 1.8/3129=15...(15) HB2 GLU 56 + H ARG 53 OK 27 85 - 32 - 6066/3.0=4, ~6068=4...(12) HB2 LEU 55 + H ARG 53 OK 24 78 - 31 - 4.0/1622=6, 3124/3.0=3...(11) HG3 PRO 37 - H ARG 53 OK 13 60 - 22 - 6066/3.0=3, 1.8/5546=3...(10) HB2 GLU 94 - H ARG 53 OK 12 71 - 17 - 4518=2, 1.8/4524=2...(7) HG3 PRO 60 - H ARG 53 OK 10 71 - 14 - 6066/3.0=2, 3132/4.0=2...(5) HG2 PRO 60 - H ARG 53 poor 8 57 - 14 - ~6066=1, 2.3/1014=1...(7) HG3 PRO 70 - H ARG 53 lone 7 83 - 9 - 6066/3.0=1, 7264/8407=1 HB2 LYS 46 - H ARG 53 lone 6 71 - 9 - 1.8/1011=1, 3132/4.0=1 Peak 1013 from nnoeabs.peaks (1.61, 8.54, 120.08 ppm; 3.89 A): 2 out of 17 assignments used, quality = 0.93: * HG2 ARG 53 + H ARG 53 OK 86 100 - 86 - 5.0=48, 3.0/1012=15...(19) HG12 ILE 63 + H ARG 53 OK 50 99 - 51 - 2.1/7126=11, 3.2/6962=8...(16) HG LEU 51 - H ARG 53 OK 21 73 - 28 - 3.7/6050=7, 5.1/1619=7...(8) HG LEU 101 - H ARG 53 OK 19 98 - 19 - 3145=4, 3146/3.0=2...(7) HB3 LEU 126 - H ARG 53 OK 16 99 - 16 - 3.0/232=2, 3.1/6961=2...(8) HB2 LEU 126 - H ARG 53 OK 16 99 - 16 - 3.0/232=2, 3.1/6961=2...(8) HG LEU 126 - H ARG 53 OK 13 92 - 14 - 2.1/6961=2, 5404/3.6=1...(4) HD2 LYS 31 - H ARG 53 OK 10 97 - 11 - 3125/3.0=1, 3133/4.0=1 HD3 LYS 31 - H ARG 53 OK 10 97 - 11 - 3125/3.0=1, 3133/4.0=1 HB3 GLN 42 - H ARG 53 poor 9 68 - 14 - 4.0/168=4, 4.6/1596=2...(5) HG2 PRO 30 - H ARG 53 lone 9 100 - 9 - HB2 LEU 59 - H ARG 53 lone 8 93 - 8 - 7078/7120=1 HD3 LYS 119 - H ARG 53 lone 6 95 - 7 - HD2 LYS 119 - H ARG 53 lone 6 93 - 7 - HD2 LYS 32 - H ARG 53 lone 5 100 - 5 - HD3 LYS 32 - H ARG 53 lone 5 100 - 5 - HB3 LYS 32 - H ARG 53 lone 3 60 - 5 - 4.7/1622=1 Peak 1014 from nnoeabs.peaks (1.83, 8.54, 120.08 ppm; 3.59 A): 3 out of 12 assignments used, quality = 0.94: * HG3 ARG 53 + H ARG 53 OK 81 100 - 81 - 5.0=38, 3.0/1012=13...(19) HG13 ILE 63 + H ARG 53 OK 46 99 - 46 - 2.1/7126=9, 3.2/6962=7...(15) HG LEU 41 + H ARG 53 OK 37 100 - 37 - 2798=7, 2.1/2805=6...(15) HB3 ARG 57 - H ARG 53 OK 21 92 - 23 - 3.7/231=4, 3.5/234=2...(11) HB3 ARG 92 - H ARG 53 OK 17 81 - 21 - 4.2/1496=3, 3153=3...(10) HB2 PRO 60 - H ARG 53 OK 11 73 - 15 - 2.3/1012=2, 3126/3.0=2...(6) HG2 GLU 73 - H ARG 53 lone 7 97 - 8 - HG3 GLU 73 - H ARG 53 lone 7 96 - 8 - HG12 ILE 22 - H ARG 53 lone 7 83 - 8 - 3.9/232=2, 2162/3.6=1 HG2 GLU 75 - H ARG 53 lone 5 93 - 5 - HB2 GLU 69 - H ARG 53 lone 4 99 - 4 - HB3 GLN 105 - H ARG 53 lone 4 98 - 4 - Peak 1015 from nnoeabs.peaks (3.18, 8.54, 120.08 ppm; 4.65 A): 2 out of 6 assignments used, quality = 0.92: * HD2 ARG 53 + H ARG 53 OK 89 100 - 89 - 6.3=39, 3.6/1012=17...(19) HD3 ARG 71 + H ARG 53 OK 29 97 - 30 - 3127/3.0=6, 3135/4.0=5...(11) HB2 HIS 10 - H ARG 53 OK 15 73 - 21 - 1.8/1016=4, 3127/3.0=4...(9) HD2 ARG 81 - H ARG 53 OK 13 71 - 19 - 3161=2, 3127/3.0=2...(6) HD3 ARG 92 - H ARG 53 OK 11 65 - 17 - 3135/4.0=3, 3.5/3153=3...(7) HD2 ARG 92 - H ARG 53 OK 10 63 - 17 - 3135/4.0=3, 3.5/3153=3...(7) Peak 1016 from nnoeabs.peaks (3.10, 8.54, 120.08 ppm; 3.88 A): 2 out of 7 assignments used, quality = 0.94: * HD3 ARG 53 + H ARG 53 OK 79 100 - 79 - 6.3=23, 1.8/1015=14...(20) HB3 CYS 52 + H ARG 53 OK 69 81 - 86 - 4.4=69, 1.8/233=25...(11) HB2 PHE 107 - H ARG 53 OK 28 90 - 31 - 4.0/1462=7, 4827/4.7=4...(10) HB3 HIS 10 - H ARG 53 OK 17 97 - 18 - 3136/4.0=3, 3128/3.0=3...(9) HD3 ARG 57 - H ARG 53 OK 13 60 - 22 - 3112/3.6=2, 3.5/1014=2...(9) HB3 CYS 76 - H ARG 53 OK 11 85 - 13 - 4.0/231=3, 3986/4.6=2...(4) HB3 ASP 100 - H ARG 53 lone 5 81 - 6 - Peak 1017 from nnoeabs.peaks (8.94, 8.94, 121.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 54 + H LEU 54 OK 100 100 - 100 Peak 1018 from nnoeabs.peaks (3.75, 8.94, 121.12 ppm; 3.73 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 54 + H LEU 54 OK 100 100 - 100 - 3.0=100 HA GLU 38 - H LEU 54 OK 27 97 - 28 - 3192/4.0=3, 3185/4.0=3...(12) HA GLU 73 - H LEU 54 OK 22 100 - 22 - 3192/4.0=2, 3185/4.0=2...(12) HA CYS 87 - H LEU 54 OK 10 97 - 10 - 244/4.6=2, 3192/4.0=1...(4) HA3 GLY 86 - H LEU 54 poor 10 68 - 14 - 1.8/1626=4, 3.0/235=4 HD2 PRO 30 - H LEU 54 poor 9 85 - 11 - 3192/4.0=1, 3185/4.0=1 HB3 SER 13 - H LEU 54 lone 8 89 - 10 - 1.8/236=1, 3.0/1623=1 HB3 SER 90 - H LEU 54 lone 5 93 - 5 - HB3 SER 35 - H LEU 54 lone 3 97 - 3 - HB2 SER 72 - H LEU 54 lone 1 60 - 2 - Peak 1019 from nnoeabs.peaks (2.33, 8.94, 121.12 ppm; 3.55 A): 4 out of 9 assignments used, quality = 0.95: * HB2 LEU 54 + H LEU 54 OK 89 100 - 89 - 4.0=68, 1.8/1020=21...(12) HB3 PRO 60 + H LEU 54 OK 31 97 - 32 - 3.0/1625=5, 3179/3.0=4...(13) HG3 GLU 56 + H LEU 54 OK 25 92 - 28 - 4.9/1634=8, 3.0/238=4...(9) HB3 ASN 118 + H LEU 54 OK 11 78 - 14 - 3.0/1625=3, 3179/3.0=2...(7) HG2 PRO 70 - H LEU 54 lone 8 87 - 9 - 245/4.6=2, 1.8/238=1, 3179/3.0=1 HB3 GLU 82 - H LEU 54 lone 8 98 - 8 - 3179/3.0=1, 3193/4.0=1 HB2 GLU 82 - H LEU 54 lone 8 98 - 8 - 3179/3.0=1, 3193/4.0=1 HG2 GLN 16 - H LEU 54 lone 3 68 - 4 - HB VAL 18 - H LEU 54 lone 2 65 - 3 - Peak 1020 from nnoeabs.peaks (1.15, 8.94, 121.12 ppm; 3.54 A): 3 out of 3 assignments used, quality = 0.95: * HB3 LEU 54 + H LEU 54 OK 88 100 - 88 - 4.0=68, 1.8/1019=17...(13) QG2 VAL 50 + H LEU 54 OK 35 81 - 44 - 2.1/8237=12, 3.2/6049=10...(12) QD2 LEU 117 + H LEU 54 OK 29 81 - 36 - 8013/4.8=8, 3180/3.0=6...(10) Peak 1021 from nnoeabs.peaks (1.28, 8.94, 121.12 ppm; 4.30 A): 3 out of 7 assignments used, quality = 0.95: * HG LEU 54 + H LEU 54 OK 90 100 - 90 - 5.2=58, 2.1/3205=26...(9) QD1 ILE 80 + H LEU 54 OK 31 93 - 34 - 7420/4.8=7, 3181/3.0=6...(9) QG2 ILE 80 + H LEU 54 OK 30 92 - 32 - 3181/3.0=5, 3195/4.0=5...(10) QG2 THR 116 - H LEU 54 OK 16 95 - 17 - 8171/4.7=3, 3181/3.0=2...(6) HG3 LYS 32 - H LEU 54 poor 10 78 - 12 - 5.0/1463=2, 3181/3.0=1...(5) QG2 THR 19 - H LEU 54 lone 3 71 - 5 - 247/4.6=1 HB3 LEU 84 - H LEU 54 lone 3 60 - 5 - Peak 1022 from nnoeabs.peaks (0.21, 8.94, 121.12 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.96: * QD1 LEU 54 + H LEU 54 OK 92 100 - 92 - 4.8=62, 3182/3.0=25...(16) QD2 LEU 21 + H LEU 54 OK 46 85 - 54 - 3182/3.0=12, 3196/4.0=9...(15) Peak 1023 from nnoeabs.peaks (0.71, 8.94, 121.12 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.93: * QD2 LEU 54 + H LEU 54 OK 89 100 - 89 - 4.8=60, 2.1/3205=24...(9) QG1 VAL 66 + H LEU 54 OK 36 97 - 37 - 7202/4.7=8, 7200/4.6=5...(11) QD1 LEU 114 - H LEU 54 OK 25 89 - 29 - 3212=6, 3183/3.0=4...(8) HG3 GLU 75 - H LEU 54 OK 25 100 - 24 - 3183/3.0=4, 3197/4.0=3...(9) QD1 LEU 77 - H LEU 54 OK 18 87 - 21 - 3212=3, 249/4.6=3...(7) QD2 LEU 111 - H LEU 54 lone 5 68 - 7 - Peak 1024 from nnoeabs.peaks (8.12, 8.12, 118.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H LEU 55 OK 100 100 - 100 Peak 1025 from nnoeabs.peaks (4.06, 8.12, 118.27 ppm; 3.60 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 55 + H LEU 55 OK 100 100 - 100 - 3.0=100 HA SER 112 - H LEU 55 OK 18 100 - 18 - 7919/4.6=2, 3.6/1632=2...(9) HA LYS 31 - H LEU 55 OK 16 68 - 24 - 3.0/1027=5, 3.0/1028=3...(14) HA VAL 120 - H LEU 55 OK 12 68 - 18 - ~7009=3, ~6999=3...(7) HD3 PRO 37 - H LEU 55 OK 12 95 - 13 - 251/4.6=2 HA LYS 109 - H LEU 55 OK 12 100 - 12 - 251/4.6=1, 3227/4.0=1 HA SER 44 - H LEU 55 lone 9 97 - 9 - 6836/6911=1 HA TYR 102 - H LEU 55 lone 7 97 - 7 - HA GLN 16 - H LEU 55 lone 3 73 - 3 - Peak 1026 from nnoeabs.peaks (2.00, 8.12, 118.27 ppm; 3.47 A): 3 out of 14 assignments used, quality = 0.90: * HB2 LEU 55 + H LEU 55 OK 83 100 - 83 - 4.0=64, 1.8/1027=16...(12) HB3 ARG 53 + H LEU 55 OK 31 78 - 40 - 4.4/243=14, 3.0/6064=6...(10) HG2 PRO 60 + H LEU 55 OK 20 99 - 20 - 2.3/1631=5, 2.3/245=4...(5) HB3 PRO 68 - H LEU 55 OK 18 87 - 21 - 2.3/1028=2, 3742/4.7=2...(12) HG2 PRO 68 - H LEU 55 OK 16 81 - 20 - 1.8/1028=3, 3221/3.0=2...(12) HG LEU 114 - H LEU 55 OK 15 81 - 19 - 2.1/249=4, 2.1/1030=3...(7) HB2 LEU 41 - H LEU 55 OK 14 87 - 16 - 4.1/1629=3, 3226=2...(4) HB2 LYS 46 - H LEU 55 lone 8 100 - 8 - 3221/3.0=2 HB2 GLU 94 - H LEU 55 lone 6 100 - 6 - 4.0/1629=2 HB ILE 124 - H LEU 55 lone 5 87 - 5 - HB2 ARG 71 - H LEU 55 lone 3 65 - 5 - 1.8/1027=1 HB3 GLN 103 - H LEU 55 lone 3 87 - 3 - HG LEU 45 - H LEU 55 lone 2 60 - 3 - HB2 MET 11 - H LEU 55 lone 2 92 - 2 - Peak 1027 from nnoeabs.peaks (1.72, 8.12, 118.27 ppm; 3.48 A): 4 out of 7 assignments used, quality = 0.94: * HB3 LEU 55 + H LEU 55 OK 83 100 - 83 - 4.0=64, 1.8/3226=16...(10) HB2 LYS 31 + H LEU 55 OK 31 99 - 32 - 3222/3.0=5, 1.8/1028=4...(13) HB2 ARG 53 + H LEU 55 OK 30 73 - 41 - 4.4/243=14, 3.0/6064=6...(13) HB3 LEU 77 + H LEU 55 OK 27 99 - 28 - 3233=6, 3222/3.0=5...(10) HB2 LEU 91 - H LEU 55 lone 9 89 - 10 - 3222/3.0=2 HB3 ARG 71 - H LEU 55 lone 6 97 - 6 - 3222/3.0=1 HG2 ARG 71 - H LEU 55 lone 4 68 - 5 - Peak 1028 from nnoeabs.peaks (1.88, 8.12, 118.27 ppm; 3.99 A): 3 out of 15 assignments used, quality = 0.95: * HG LEU 55 + H LEU 55 OK 88 100 - 88 - 4.7=63, 3.0/3226=16...(10) HB3 LYS 31 + H LEU 55 OK 39 100 - 39 - 1.8/1027=7, 2416/3.0=5...(16) HG3 PRO 68 + H LEU 55 OK 28 93 - 30 - 3240=3, 3243/4.0=3...(12) HB2 LEU 58 - H LEU 55 OK 25 96 - 26 - 7057/3.0=5, ~8292=4...(10) HB VAL 50 - H LEU 55 OK 20 100 - 20 - 2.1/246=6, 3056/4.6=4...(8) HB ILE 22 - H LEU 55 OK 18 71 - 25 - 3.0/1630=4, 2.1/6428=4...(10) HB2 LYS 119 - H LEU 55 OK 16 100 - 16 - 4.0/1632=4, 3223/3.0=2...(5) HB2 ARG 92 - H LEU 55 OK 14 99 - 15 - 4.2/6998=5, 5.1/6998=3...(5) HB3 LYS 109 - H LEU 55 OK 12 87 - 14 - 4901/3.0=3, 2.9/1025=2...(5) HB3 GLU 28 - H LEU 55 lone 8 93 - 8 - HB2 GLU 28 - H LEU 55 lone 8 83 - 9 - 6564/4.6=2 HG LEU 84 - H LEU 55 lone 7 100 - 7 - HB3 GLU 73 - H LEU 55 lone 5 65 - 7 - 3.0/244=2, 3919/3.6=2 HB2 LEU 84 - H LEU 55 lone 4 85 - 5 - HB2 ARG 81 - H LEU 55 lone 4 73 - 5 - 254/4.6=1 Peak 1029 from nnoeabs.peaks (0.94, 8.12, 118.27 ppm; 3.70 A): 4 out of 12 assignments used, quality = 0.93: * QD1 LEU 55 + H LEU 55 OK 81 100 - 81 - 4.6=53, 3.1/3226=14...(9) QD1 ILE 63 + H LEU 55 OK 34 99 - 34 - 7127=8, 8310/4.0=5...(10) QG2 VAL 115 + H LEU 55 OK 28 97 - 30 - 7974/3.0=5, 8168/4.0=4...(11) QG2 ILE 22 + H LEU 55 OK 26 97 - 27 - 2159/4.6=4, 3.2/1630=4...(11) QD2 LEU 27 - H LEU 55 OK 21 96 - 22 - 3224/3.0=3, 6526/4.6=2...(10) QG2 VAL 49 - H LEU 55 OK 20 92 - 22 - 3247=4, 3.2/6911=4...(6) QD1 LEU 117 - H LEU 55 OK 17 68 - 25 - 2.1/246=6, ~7009=4...(6) QD1 LEU 27 - H LEU 55 OK 17 98 - 17 - 3224/3.0=2, ~8292=2...(6) QD1 LEU 41 - H LEU 55 OK 17 100 - 16 - 4.3/1629=3, 3224/3.0=2...(4) QG2 ILE 124 - H LEU 55 lone 4 76 - 5 - HB2 GLN 42 - H LEU 55 lone 4 87 - 4 - QD1 LEU 126 - H LEU 55 lone 3 65 - 5 - 4.0/1630=1 Peak 1030 from nnoeabs.peaks (0.85, 8.12, 118.27 ppm; 4.11 A): 2 out of 9 assignments used, quality = 0.95: * QD2 LEU 55 + H LEU 55 OK 92 100 - 92 - 4.6=73, 3.1/3226=17...(11) QD2 LEU 114 + H LEU 55 OK 31 100 - 31 - 2.1/249=6, 3225/3.0=4...(11) HG13 ILE 22 - H LEU 55 OK 27 97 - 28 - 3.9/1630=4, 3.2/6428=4...(10) QG1 VAL 115 - H LEU 55 OK 26 87 - 30 - 7970/3.0=5, 2.1/1029=4...(10) QD1 LEU 59 - H LEU 55 OK 22 99 - 22 - 3225/3.0=3, 3254=3...(9) QD1 LEU 93 - H LEU 55 OK 19 85 - 22 - 4.7/6998=4, 3225/3.0=3...(7) HG13 ILE 80 - H LEU 55 OK 19 81 - 23 - 2.1/247=6, 3.2/247=5...(5) HB2 ASN 118 - H LEU 55 OK 13 68 - 19 - 3.0/1631=5, 4.6/1632=3...(5) QD2 LEU 126 - H LEU 55 lone 5 73 - 7 - 4.0/1630=1 Peak 1031 from nnoeabs.peaks (7.62, 7.62, 116.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 56 + H GLU 56 OK 100 100 - 100 Peak 1032 from nnoeabs.peaks (4.17, 7.62, 116.71 ppm; 3.73 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 56 + H GLU 56 OK 100 100 - 100 - 2.9=100 HA PRO 68 - H GLU 56 OK 29 87 - 34 - 2.3/1035=5, 2.3/252=5...(16) HA PRO 37 - H GLU 56 OK 15 68 - 22 - 2.3/1034=4, 3.6/251=3...(10) HA GLU 28 - H GLU 56 OK 14 97 - 15 - 7017/4.8=1, 6562/4.8=1...(7) HA3 GLY 61 - H GLU 56 OK 14 71 - 20 - ~8301=10, ~1061=3...(7) HA ARG 92 - H GLU 56 OK 12 89 - 14 - 4417/3.7=2, 3.0/254=2...(5) HA PHE 83 - H GLU 56 poor 9 81 - 11 - 8354/4.8=4, 8355/4.8=2 HB2 SER 113 - H GLU 56 lone 7 90 - 8 - 5048/4.6=1 HA SER 78 - H GLU 56 lone 5 100 - 5 - HA ILE 124 - H GLU 56 lone 5 63 - 7 - HA ASN 108 - H GLU 56 lone 1 68 - 2 - Peak 1033 from nnoeabs.peaks (2.04, 7.62, 116.71 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.94: * HB2 GLU 56 + H GLU 56 OK 86 100 - 86 - 3.7=75, 1.8/3273=18...(7) HB3 ARG 53 + H GLU 56 OK 35 85 - 41 - 3.0/6065=13, 4.4/1634=8...(14) HG3 PRO 60 + H GLU 56 OK 32 99 - 32 - 2.3/1036=6, 2.3/1034=5...(10) HB ILE 63 - H GLU 56 OK 25 73 - 34 - 2.1/7030=7, 3.0/7133=7...(10) HG3 PRO 37 - H GLU 56 OK 22 97 - 23 - 2.3/1034=3, 2.3/251=3...(11) HB3 ARG 81 - H GLU 56 OK 20 96 - 21 - 3267=4, ~6114=3...(6) HG3 PRO 70 - H GLU 56 OK 18 100 - 18 - 2.3/1035=3, ~8322=3...(8) HB3 GLU 38 - H GLU 56 poor 9 83 - 11 - 4.4/250=1, 3.0/1035=1 Peak 1034 from nnoeabs.peaks (1.79, 7.62, 116.71 ppm; 3.46 A): 2 out of 13 assignments used, quality = 0.94: * HB3 GLU 56 + H GLU 56 OK 90 100 - 91 - 3.7=83, 1.8/3267=13...(7) HB2 PRO 60 + H GLU 56 OK 39 97 - 40 - 1.8/1036=7, ~7024=7...(11) HG13 ILE 63 - H GLU 56 OK 25 63 - 40 - 1.8/7133=9, 3.2/7030=7...(13) HB2 PRO 37 - H GLU 56 OK 24 99 - 25 - 3264/2.9=3, 2.3/1033=3...(11) HB3 ARG 57 - H GLU 56 OK 19 83 - 23 - 3307/4.6=5, 3273=2...(5) HB2 LEU 117 - H GLU 56 OK 14 85 - 17 - 1.8/1035=2, 3264/2.9=2...(8) HB3 ARG 92 - H GLU 56 OK 10 93 - 11 - 1.8/254=2, 4431/2.9=2...(4) HB2 LYS 32 - H GLU 56 lone 6 99 - 6 - 4.7/250=1 HB2 GLU 75 - H GLU 56 lone 3 89 - 3 - HG2 GLU 75 - H GLU 56 lone 2 81 - 3 - HD3 LYS 109 - H GLU 56 lone 2 65 - 3 - HG3 PRO 30 - H GLU 56 lone 2 60 - 3 - HB3 GLN 105 - H GLU 56 lone 1 68 - 1 - Peak 1035 from nnoeabs.peaks (2.25, 7.62, 116.71 ppm; 4.16 A): 3 out of 13 assignments used, quality = 0.94: * HG2 GLU 56 + H GLU 56 OK 84 100 - 84 - 4.9=60, 1.8/3285=22...(10) HB2 PRO 68 + H GLU 56 OK 45 96 - 47 - 1.8/252=6, 2.3/1032=5...(19) HB2 PRO 70 + H GLU 56 OK 33 100 - 33 - ~7024=5, 3814/3.7=5...(10) HB3 LEU 117 - H GLU 56 OK 24 95 - 26 - 3265/2.9=3, 1.8/1034=3...(13) HG3 GLU 38 - H GLU 56 OK 15 100 - 15 - 3265/2.9=2, 4.9/250=2...(5) HG2 GLU 38 - H GLU 56 OK 15 99 - 15 - 3265/2.9=2, 4.9/250=2...(5) HG3 GLU 28 - H GLU 56 OK 14 93 - 15 - 4.0/1032=2, 3.0/254=1...(4) HG2 GLU 28 - H GLU 56 OK 14 90 - 15 - 4.0/1032=2, 3.0/254=1...(4) HB2 CYS 87 - H GLU 56 lone 7 76 - 10 - 7016/4.8=4, 7539/4.8=2 HG3 GLU 15 - H GLU 56 lone 7 100 - 7 - 6322/3.7=2 HG2 GLU 94 - H GLU 56 lone 5 99 - 5 - HG3 GLU 94 - H GLU 56 lone 4 76 - 5 - 7016/4.8=1 HG3 GLU 64 - H GLU 56 lone 3 98 - 4 - Peak 1036 from nnoeabs.peaks (2.31, 7.62, 116.71 ppm; 4.04 A): 3 out of 7 assignments used, quality = 0.95: * HG3 GLU 56 + H GLU 56 OK 82 100 - 82 - 4.9=55, 1.8/3279=22...(10) HB3 PRO 60 + H GLU 56 OK 57 100 - 57 - ~7024=10, 3266/2.9=9...(16) HB2 LEU 54 + H GLU 56 OK 40 92 - 44 - 3.0/6071=14, 4.6/250=14...(8) HB VAL 120 - H GLU 56 OK 22 87 - 25 - 2.1/8069=6, 2.1/8041=3...(8) HB3 GLU 82 - H GLU 56 poor 8 73 - 11 - 3266/2.9=2, ~7459=1, ~3266=1 HB2 GLU 82 - H GLU 56 poor 8 73 - 11 - 3266/2.9=2, ~7459=1, ~3266=1 HG2 GLN 16 - H GLU 56 lone 6 97 - 6 - Peak 1037 from nnoeabs.peaks (7.59, 7.59, 117.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 57 + H ARG 57 OK 100 100 - 100 Peak 1038 from nnoeabs.peaks (4.11, 7.59, 117.24 ppm; 3.52 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 57 + H ARG 57 OK 100 100 - 100 - 3.0=100 HA ILE 63 - H ARG 57 OK 27 73 - 37 - 3.2/7124=7, 4.2/7129=6...(16) HA LEU 24 - H ARG 57 OK 20 90 - 22 - 3308/3.7=3, 3300/3.7=2...(12) HA3 GLY 25 - H ARG 57 OK 15 100 - 16 - 3308/3.7=2, 3300/3.7=2...(8) HA PRO 37 - H ARG 57 OK 12 60 - 20 - 3.6/1637=3, 2.3/260=3...(5) HA ALA 98 - H ARG 57 lone 6 76 - 7 - 3291=1 HB3 SER 78 - H ARG 57 lone 5 95 - 5 - HA ILE 124 - H ARG 57 lone 3 65 - 4 - HA ASN 108 - H ARG 57 lone 3 60 - 4 - HB3 SER 72 - H ARG 57 lone 2 71 - 3 - Peak 1039 from nnoeabs.peaks (2.07, 7.59, 117.24 ppm; 3.21 A): 3 out of 15 assignments used, quality = 0.91: * HB2 ARG 57 + H ARG 57 OK 82 100 - 82 - 3.7=63, 1.8/3307=13...(12) HB ILE 63 + H ARG 57 OK 37 99 - 38 - 2.1/7124=6, 3.2/7129=6...(18) HB3 GLU 38 + H ARG 57 OK 21 96 - 22 - 3299=4, 3.0/1639=4...(9) HB3 ARG 81 - H ARG 57 OK 18 83 - 22 - 3.5/1044=2, 2.9/1041=2...(10) HG3 PRO 60 - H ARG 57 OK 17 68 - 25 - 2.3/1043=4, 2.3/262=3...(10) HG LEU 21 - H ARG 57 OK 16 97 - 17 - 2.1/7033=5, 2.1/6399=4...(5) HG3 PRO 37 - H ARG 57 OK 15 78 - 19 - 2.3/1637=3, 2.3/260=3...(5) HB2 LEU 114 - H ARG 57 lone 8 97 - 9 - 3.1/7957=2, 4.0/576=1 HB2 GLN 105 - H ARG 57 lone 7 100 - 7 - 4773/3.7=1 HB2 GLN 16 - H ARG 57 lone 6 99 - 6 - HB3 GLN 16 - H ARG 57 lone 6 99 - 6 - HB2 LEU 101 - H ARG 57 lone 5 63 - 9 - 3.1/7031=2 HG2 GLU 64 - H ARG 57 lone 5 100 - 5 - HB2 GLU 15 - H ARG 57 lone 4 92 - 4 - HG3 GLU 69 - H ARG 57 lone 2 85 - 3 - Peak 1040 from nnoeabs.peaks (1.81, 7.59, 117.24 ppm; 3.16 A): 3 out of 14 assignments used, quality = 0.93: * HB3 ARG 57 + H ARG 57 OK 79 100 - 80 - 3.7=60, 1.8/3299=12...(13) HB3 GLU 56 + H ARG 57 OK 45 83 - 54 - 4.6=31, 1.8/259=9...(8) HG13 ILE 63 + H ARG 57 OK 42 99 - 43 - 2.1/7129=6, 3.2/7124=5...(20) HB2 PRO 60 - H ARG 57 OK 28 98 - 29 - 2.3/259=4, 3.0/1043=4...(12) HG3 ARG 53 - H ARG 57 OK 18 92 - 19 - 3.9/6070=4, 3.0/259=2...(5) HB2 PRO 37 - H ARG 57 OK 14 68 - 20 - 3.0/1637=3, 2.3/259=3...(6) HB3 ARG 92 - H ARG 57 lone 9 99 - 8 - 4431/3.6=1, 266/4.6=1 HG2 GLU 75 - H ARG 57 lone 7 100 - 7 - 3294/3.0=1 HB3 GLN 105 - H ARG 57 lone 7 99 - 7 - HG LEU 41 - H ARG 57 lone 4 83 - 5 - HB2 GLU 69 - H ARG 57 lone 2 81 - 3 - HG2 GLU 73 - H ARG 57 lone 2 68 - 3 - 4.1/1639=1 HG3 GLU 73 - H ARG 57 lone 2 65 - 3 - 4.1/1639=1 HB2 LYS 32 - H ARG 57 lone 2 68 - 3 - Peak 1041 from nnoeabs.peaks (1.58, 7.59, 117.24 ppm; 4.29 A): 3 out of 10 assignments used, quality = 0.97: * HG2 ARG 57 + H ARG 57 OK 90 100 - 90 - 5.1=60, 3.0/3299=15...(21) HG12 ILE 63 + H ARG 57 OK 52 78 - 66 - 2.1/7129=13, 3.2/7124=10...(24) HD2 LYS 119 + H ARG 57 OK 42 90 - 47 - 3.7/5200=7, 3.0/5220=6...(18) HD3 LYS 119 - H ARG 57 OK 41 89 - 47 - 3.7/5200=7, 3.0/5220=6...(18) HG3 ARG 81 - H ARG 57 OK 41 100 - 41 - 3.0/1044=5, 3295/3.0=5...(16) HG2 ARG 81 - H ARG 57 OK 41 100 - 41 - 3.0/1044=5, 3295/3.0=5...(16) HG LEU 126 - H ARG 57 OK 14 92 - 15 - 267/4.6=2, 3315=2...(5) HB2 LEU 126 - H ARG 57 poor 10 78 - 12 - 4.0/1466=2, 267/4.6=2 HB3 LEU 126 - H ARG 57 poor 9 76 - 12 - 4.0/1466=2, 267/4.6=1 HG12 ILE 124 - H ARG 57 lone 6 63 - 9 - Peak 1042 from nnoeabs.peaks (1.47, 7.59, 117.24 ppm; 4.46 A): 2 out of 17 assignments used, quality = 0.97: * HG3 ARG 57 + H ARG 57 OK 93 100 - 93 - 5.1=67, 2.9/1043=17...(18) HG2 LYS 119 + H ARG 57 OK 53 99 - 54 - 5220=9, 2.9/5200=8...(18) HB3 LEU 58 - H ARG 57 OK 38 83 - 46 - 3.9/1466=16, 3.1/7031=8...(10) HG LEU 24 - H ARG 57 OK 38 89 - 43 - 2216/3.0=6, ~2223=5...(16) HB3 GLU 75 - H ARG 57 OK 19 89 - 22 - 3964/3.7=3, 7315/3.7=3...(9) QB ALA 14 - H ARG 57 OK 18 100 - 18 - 6307/3.7=2, 6309/3.7=2...(5) HB2 LEU 93 - H ARG 57 OK 14 100 - 14 - 268/4.6=1 HG2 LYS 109 - H ARG 57 OK 13 95 - 14 - 3.7/6210=5, 268/4.6=2 HG3 LYS 31 - H ARG 57 OK 13 100 - 13 - 5220=2, 268/4.6=1, 5220/4.6=1 HB3 LEU 101 - H ARG 57 OK 11 63 - 18 - 3.1/7031=5, ~6173=1...(6) HB3 LEU 45 - H ARG 57 OK 11 89 - 12 - 3.1/7032=2, 3312/3.7=1 HD2 LYS 46 - H ARG 57 OK 11 98 - 11 - HG LEU 91 - H ARG 57 lone 7 78 - 9 - 268/4.6=1 HG LEU 93 - H ARG 57 lone 6 71 - 9 - 1048/4.6=1 QB ALA 89 - H ARG 57 lone 6 65 - 9 - 3.6/1466=3, 5784/4.6=1 HD2 LYS 65 - H ARG 57 lone 5 73 - 7 - 2.9/7031=1, 2.9/7031=1 HD3 LYS 65 - H ARG 57 lone 5 73 - 7 - 2.9/7031=1, 2.9/7031=1 Peak 1043 from nnoeabs.peaks (3.31, 7.59, 117.24 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.96: * HD2 ARG 57 + H ARG 57 OK 92 100 - 92 - 6.0=53, 3297/3.0=26...(18) HD3 PRO 60 + H ARG 57 OK 48 76 - 63 - 3297/3.0=11, 3313/3.7=8...(16) HD3 ARG 85 - H ARG 57 OK 18 87 - 20 - 3297/3.0=4, 3313/3.7=4...(7) Peak 1044 from nnoeabs.peaks (3.12, 7.59, 117.24 ppm; 4.75 A): 2 out of 10 assignments used, quality = 0.96: * HD3 ARG 57 + H ARG 57 OK 92 100 - 92 - 6.0=49, 1.8/1043=22...(20) HD3 ARG 81 + H ARG 57 OK 48 99 - 48 - 3298/3.0=7, 3330/5.1=6...(16) HB3 CYS 52 - H ARG 57 OK 32 99 - 33 - 3117=5, 4.4/231=4...(12) HD3 ARG 53 - H ARG 57 OK 17 60 - 28 - 5.3/6070=8, 3.6/259=4...(8) HB3 ASP 100 - H ARG 57 OK 16 99 - 16 - 3298/3.0=3, 3314/3.7=2...(7) HB2 PHE 107 - H ARG 57 OK 12 95 - 13 - 3314/3.7=2, 3298/3.0=1...(5) HD2 ARG 92 - H ARG 57 OK 10 73 - 14 - 3314/3.7=2, 3.5/1040=1...(8) HD3 ARG 92 - H ARG 57 poor 9 71 - 13 - 3314/3.7=2, 3.5/1040=1...(7) HB3 CYS 76 - H ARG 57 lone 9 97 - 9 - 3314/3.7=1 HB2 HIS 10 - H ARG 57 lone 1 63 - 2 - Peak 1045 from nnoeabs.peaks (7.72, 7.72, 117.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 58 + H LEU 58 OK 100 100 - 100 Peak 1046 from nnoeabs.peaks (4.25, 7.72, 117.75 ppm; 3.56 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 58 + H LEU 58 OK 100 100 - 100 - 3.0=100 HA GLU 64 - H LEU 58 OK 23 99 - 23 - 3347=4, 3355/3.9=2...(12) HA ALA 89 - H LEU 58 OK 13 97 - 14 - 5783=3, 2.1/5784=2...(4) HA GLU 94 - H LEU 58 OK 13 87 - 15 - 3347=2, 3355/3.9=2...(7) HB THR 19 - H LEU 58 OK 13 100 - 13 - 3355/3.9=2, 3383/4.8=2...(6) HA ALA 122 - H LEU 58 lone 8 87 - 9 - 272/4.6=1, 3355/3.9=1 HA3 GLY 48 - H LEU 58 lone 7 99 - 7 - 3383/4.8=1, 3355/3.9=1 HA GLN 103 - H LEU 58 lone 7 78 - 9 - 4722=1, 4.0/4754=1, 4.0/4746=1 HA THR 17 - H LEU 58 lone 5 85 - 6 - Peak 1047 from nnoeabs.peaks (1.87, 7.72, 117.75 ppm; 3.30 A): 6 out of 11 assignments used, quality = 0.94: * HB2 LEU 58 + H LEU 58 OK 80 100 - 80 - 3.9=62, 3.0/3368=10...(9) HB3 LYS 109 + H LEU 58 OK 32 99 - 32 - 2.9/8573=5, 1.8/1049=4...(11) HB2 LYS 119 + H LEU 58 OK 32 95 - 34 - 4.0/263=6, 1.8/1049=4...(13) HG LEU 55 + H LEU 58 OK 18 96 - 19 - 4.3/8639=5, 2.1/7052=3...(6) HB2 ARG 92 + H LEU 58 OK 13 100 - 13 - 1.8/266=3, 4425/4.2=1...(6) HB3 LYS 31 + H LEU 58 OK 13 95 - 14 - 3349/3.0=2, 273/4.6=2...(8) HG12 ILE 22 - H LEU 58 lone 7 76 - 9 - 8477/4.8=1, 8477/4.8=1 HB3 GLU 28 - H LEU 58 lone 4 100 - 4 - HG3 PRO 68 - H LEU 58 lone 4 100 - 4 - HG LEU 84 - H LEU 58 lone 3 90 - 4 - HB VAL 50 - H LEU 58 lone 3 95 - 3 - Peak 1048 from nnoeabs.peaks (1.49, 7.72, 117.75 ppm; 3.55 A): 2 out of 15 assignments used, quality = 0.94: * HB3 LEU 58 + H LEU 58 OK 90 100 - 90 - 3.9=78, 1.8/1047=15...(13) HG3 ARG 57 + H LEU 58 OK 35 83 - 42 - 3.0/266=12, 3.0/265=9...(6) HG2 LYS 109 - H LEU 58 OK 28 99 - 29 - 3.7/8573=5, 2.9/1047=5...(11) HB2 LEU 24 - H LEU 58 OK 28 85 - 33 - 3.1/6478=10, 3.0/264=3...(12) HG2 LYS 119 - H LEU 58 OK 19 65 - 30 - 4.9/263=5, 2.9/1047=5...(10) HG LEU 93 - H LEU 58 OK 18 100 - 18 - 7601/4.8=2, 3357/3.9=2...(8) HG LEU 91 - H LEU 58 OK 17 100 - 17 - 2.1/4400=2, 7601/4.8=1...(10) HB3 LEU 114 - H LEU 58 OK 15 95 - 16 - 3.1/7052=3, 3.0/6241=3...(5) HB2 LEU 93 - H LEU 58 OK 13 78 - 17 - 7610/4.8=2, ~8305=2...(7) HG3 LYS 31 - H LEU 58 OK 10 73 - 14 - 2.9/1047=2, 4.0/8573=1...(5) HG3 ARG 92 - H LEU 58 poor 10 81 - 12 - 3.0/266=2, 3.0/1047=2 HG2 ARG 92 - H LEU 58 poor 9 76 - 12 - 3.0/266=2, 3.0/1047=2 HG2 ARG 85 - H LEU 58 lone 8 97 - 8 - QB ALA 14 - H LEU 58 lone 6 78 - 8 - 6307/4.2=1 HD2 LYS 46 - H LEU 58 lone 3 60 - 5 - Peak 1049 from nnoeabs.peaks (1.93, 7.72, 117.75 ppm; 3.20 A): 7 out of 19 assignments used, quality = 0.91: * HG LEU 58 + H LEU 58 OK 62 100 - 62 - 5.0=26, 2.1/1050=11...(11) HB2 LYS 109 + H LEU 58 OK 30 100 - 31 - 1.8/1047=5, 2.9/8573=5...(12) HB3 LYS 119 + H LEU 58 OK 29 97 - 30 - 4.0/263=6, 1.8/1047=5...(13) HB2 LEU 21 + H LEU 58 OK 23 99 - 23 - 3.1/7054=6, 3.1/7053=4...(6) HB3 GLU 64 + H LEU 58 OK 16 100 - 16 - 3.0/1046=3, 3553/3.0=2 HB2 GLU 64 + H LEU 58 OK 16 100 - 16 - 3.0/1046=3, 3553/3.0=2 HB ILE 80 + H LEU 58 OK 13 97 - 13 - 3.0/7052=2, 3358/3.9=1...(4) HB2 GLU 38 - H LEU 58 lone 9 98 - 10 - 3.0/7069=3, 1.8/5639=2 HB3 PRO 30 - H LEU 58 lone 7 92 - 8 - 3.0/7069=1 HB2 ARG 81 - H LEU 58 lone 7 73 - 10 - 4115/4.2=2, 2.9/267=1...(5) HB3 GLU 94 - H LEU 58 lone 6 81 - 8 - 2.9/1046=2, 4525/3.0=1 HB3 ARG 85 - H LEU 58 lone 6 92 - 6 - HB2 ARG 85 - H LEU 58 lone 6 92 - 6 - HB ILE 22 - H LEU 58 lone 6 76 - 7 - HB3 GLU 73 - H LEU 58 lone 4 81 - 5 - 3.0/7069=1 HB3 GLU 69 - H LEU 58 lone 4 97 - 4 - HB3 MET 11 - H LEU 58 lone 4 90 - 4 - 4.2/1467=1 HB2 GLU 28 - H LEU 58 lone 2 63 - 3 - HB2 LEU 84 - H LEU 58 lone 2 60 - 3 - Peak 1050 from nnoeabs.peaks (0.99, 7.72, 117.75 ppm; 3.24 A): 5 out of 8 assignments used, quality = 0.94: * QD2 LEU 58 + H LEU 58 OK 70 100 - 70 - 4.8=31, 2.1/3368=11...(17) QD1 LEU 58 + H LEU 58 OK 69 99 - 70 - 4.8=31, 2.1/3368=11...(17) HB3 LEU 27 + H LEU 58 OK 15 95 - 16 - 3360/3.9=2, 3353/3.0=2...(8) QD1 LEU 101 + H LEU 58 OK 13 99 - 13 - 7031/4.6=2, 7037/4.2=1 QG1 VAL 18 + H LEU 58 OK 12 98 - 13 - 3375=2, 3376/3.0=1, 3359/3.9=1 HG3 LYS 65 - H LEU 58 lone 5 95 - 5 - HG2 LYS 65 - H LEU 58 lone 5 95 - 5 - QG2 THR 95 - H LEU 58 lone 2 85 - 3 - Peak 1051 from nnoeabs.peaks (1.00, 7.72, 117.75 ppm; 3.24 A): 6 out of 9 assignments used, quality = 0.95: * QD1 LEU 58 + H LEU 58 OK 70 100 - 70 - 4.8=31, 2.1/3368=11...(17) QD2 LEU 58 + H LEU 58 OK 69 99 - 70 - 4.8=31, 2.1/3368=11...(17) HB3 LEU 27 + H LEU 58 OK 17 100 - 17 - 3360/3.9=2, 3353/3.0=2...(8) QG1 VAL 120 + H LEU 58 OK 11 60 - 19 - 4.0/1794=5, 3.2/8573=3...(4) QD1 LEU 101 + H LEU 58 OK 11 90 - 12 - 7031/4.6=2, 7038/3.6=1 QG1 VAL 18 + H LEU 58 OK 11 89 - 12 - 3375=2, 3376/3.0=1, 3359/3.9=1 HG2 LYS 65 - H LEU 58 lone 4 81 - 4 - HG3 LYS 65 - H LEU 58 lone 4 81 - 4 - QG2 THR 95 - H LEU 58 lone 2 65 - 3 - Peak 1052 from nnoeabs.peaks (8.67, 8.67, 119.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 59 + H LEU 59 OK 100 100 - 100 Peak 1053 from nnoeabs.peaks (4.67, 8.67, 119.71 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 59 + H LEU 59 OK 100 100 - 100 - 3.0=100 HA ASN 106 - H LEU 59 OK 11 73 - 14 - 3404/3.7=3, 3397/3.7=2...(7) Peak 1054 from nnoeabs.peaks (1.62, 8.67, 119.71 ppm; 3.52 A): 1 out of 20 assignments used, quality = 0.94: * HB2 LEU 59 + H LEU 59 OK 94 100 - 94 - 3.7=89, 4.8/7073=10...(11) HB3 LEU 126 - H LEU 59 OK 22 81 - 27 - 3397/3.0=4, 3396=3...(13) HD3 LYS 31 - H LEU 59 OK 22 100 - 22 - 3.0/1055=3, 3.4/273=3...(12) HD2 LYS 31 - H LEU 59 OK 22 100 - 22 - 3.0/1055=3, 3.4/273=3...(12) HB2 LEU 126 - H LEU 59 OK 21 78 - 27 - 3397/3.0=3, 3.1/1058=3...(13) HD3 LYS 119 - H LEU 59 OK 19 65 - 29 - 3.7/5915=5, 3.7/275=4...(11) HD2 LYS 119 - H LEU 59 OK 18 63 - 29 - 3.7/5915=5, 3.7/275=4...(11) HG LEU 126 - H LEU 59 OK 13 60 - 22 - 2.1/1058=4, 2.1/1058=2...(10) HG LEU 51 - H LEU 59 OK 12 97 - 13 - 3.7/7072=2, 3.0/1056=2...(5) HG3 ARG 85 - H LEU 59 OK 11 81 - 13 - 3.0/7073=3, 1.8/274=2...(6) HG LEU 27 - H LEU 59 OK 11 63 - 17 - 3.0/1056=4, 3.0/276=3...(8) HG2 PRO 30 - H LEU 59 lone 7 97 - 7 - 2.3/275=1 HG LEU 101 - H LEU 59 lone 6 100 - 6 - 2.1/276=1 HG12 ILE 63 - H LEU 59 lone 5 78 - 6 - 7133/7081=1 HG2 ARG 53 - H LEU 59 lone 5 93 - 5 - HD2 LYS 32 - H LEU 59 lone 3 93 - 3 - HD3 LYS 32 - H LEU 59 lone 3 93 - 3 - HB3 GLN 42 - H LEU 59 lone 3 96 - 3 - HB3 LYS 32 - H LEU 59 lone 2 92 - 3 - HB ILE 34 - H LEU 59 lone 1 76 - 1 - Peak 1055 from nnoeabs.peaks (1.35, 8.67, 119.71 ppm; 3.68 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 59 + H LEU 59 OK 100 100 - 100 - 3.7=100 HG3 LYS 119 - H LEU 59 OK 24 68 - 36 - 2.9/5915=6, 2.9/275=5...(15) HG2 LYS 31 - H LEU 59 OK 23 76 - 30 - 3392/3.0=4, 2.9/273=3...(14) QG2 THR 121 - H LEU 59 OK 18 60 - 30 - 8071=5, 4.2/7081=4...(11) HG3 LYS 46 - H LEU 59 OK 13 89 - 14 - 3392/3.0=2, 2.9/8596=1...(8) HG2 LYS 46 - H LEU 59 OK 13 89 - 14 - 3392/3.0=2, 2.9/8596=1...(8) QG2 THR 17 - H LEU 59 lone 6 89 - 6 - QB ALA 43 - H LEU 59 lone 5 96 - 5 - QG2 THR 23 - H LEU 59 lone 1 60 - 2 - Peak 1056 from nnoeabs.peaks (1.40, 8.67, 119.71 ppm; 3.59 A): 8 out of 10 assignments used, quality = 0.94: * HG LEU 59 + H LEU 59 OK 71 100 - 71 - 5.1=35, 3393/3.0=13...(11) HB2 LEU 27 + H LEU 59 OK 30 100 - 30 - 1.8/276=4, 3393/3.0=4...(11) HB3 LEU 93 + H LEU 59 OK 24 85 - 29 - 8304/4.6=2, 3.1/1057=2...(13) QG2 THR 121 + H LEU 59 OK 23 71 - 33 - 8071=5, 4.2/7081=4...(13) HB2 LEU 111 + H LEU 59 OK 17 96 - 18 - 8305/3.6=2, 3.8/271=2...(7) QB ALA 122 + H LEU 59 OK 16 97 - 16 - 2.9/7081=5, 2.1/272=2...(4) HB VAL 110 + H LEU 59 OK 14 99 - 14 - 5877/4.6=2, 7062/4.9=2...(5) HB2 LEU 51 + H LEU 59 OK 14 87 - 16 - 3393/3.0=2, 3075/4.8=2...(8) HB3 LEU 91 - H LEU 59 poor 9 65 - 14 - 3.1/7590=4, 3.0/274=2, 4.0/271=1 QB ALA 98 - H LEU 59 lone 3 81 - 3 - Peak 1057 from nnoeabs.peaks (0.84, 8.67, 119.71 ppm; 3.84 A): 4 out of 9 assignments used, quality = 0.95: * QD1 LEU 59 + H LEU 59 OK 82 100 - 82 - 4.6=60, ~3425=14...(10) QD2 LEU 55 + H LEU 59 OK 43 99 - 43 - 4.0/6999=7, 4.8/7081=7...(13) QD2 LEU 114 + H LEU 59 OK 30 97 - 31 - 7955=7, 4.0/6236=4...(12) QD1 LEU 93 + H LEU 59 OK 27 95 - 29 - 3.1/1056=3, 2.1/274=3...(12) HB2 ASN 118 - H LEU 59 OK 26 83 - 32 - 3.0/7072=7, 4.0/271=7...(9) HG13 ILE 22 - H LEU 59 OK 20 100 - 20 - 3408/3.7=3, 8476/5.1=2...(8) QG1 VAL 115 - H LEU 59 OK 17 96 - 18 - 4.0/1772=3, 4.3/1519=2 QD2 LEU 91 - H LEU 59 OK 16 68 - 23 - 7590=4, 2.1/274=2...(10) HG13 ILE 80 - H LEU 59 OK 11 65 - 17 - 7056/4.6=3, 3.0/275=2...(6) Peak 1058 from nnoeabs.peaks (0.88, 8.67, 119.71 ppm; 3.73 A): 3 out of 8 assignments used, quality = 0.92: * QD2 LEU 59 + H LEU 59 OK 85 100 - 85 - 4.6=55, 3425/3.0=26...(11) QD2 LEU 126 + H LEU 59 OK 30 97 - 31 - 3395/3.0=5, 3409/3.7=4...(15) QD1 LEU 117 + H LEU 59 OK 26 65 - 40 - 2.1/5165=6, 3.1/5137=5...(14) HG13 ILE 80 - H LEU 59 OK 20 95 - 21 - 8347/4.9=3, 7056/4.6=3...(10) QD1 LEU 126 - H LEU 59 OK 17 68 - 25 - 3395/3.0=3, 3.1/3396=3...(13) QD1 ILE 124 - H LEU 59 OK 16 100 - 16 - 8120/3.7=2, 7091/4.8=2...(7) QD2 LEU 41 - H LEU 59 OK 12 99 - 12 - 7091/4.8=2, 7089/4.8=2...(4) QG1 VAL 49 - H LEU 59 OK 11 100 - 11 - 3395/3.0=1, 7091/4.8=1...(4) Peak 1059 from nnoeabs.peaks (10.09, 10.09, 113.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 61 + H GLY 61 OK 100 100 - 100 Peak 1060 from nnoeabs.peaks (3.79, 10.09, 113.12 ppm; 3.54 A): 1 out of 11 assignments used, quality = 1.00: * HA2 GLY 61 + H GLY 61 OK 100 100 - 100 - 3.0=100 HB2 SER 90 - H GLY 61 lone 8 100 - 8 - 286/4.6=2, 3.0/278=2...(4) HB2 SER 74 - H GLY 61 lone 4 96 - 4 - 4.0/1468=1 HB3 SER 74 - H GLY 61 lone 4 95 - 4 - 4.0/1468=1 HA2 GLY 88 - H GLY 61 lone 3 89 - 3 - HA3 GLY 88 - H GLY 61 lone 2 81 - 3 - HB2 SER 72 - H GLY 61 lone 2 87 - 2 - HA3 GLY 39 - H GLY 61 lone 1 93 - 1 - HB2 SER 29 - H GLY 61 lone 1 85 - 1 - HB3 SER 29 - H GLY 61 lone 1 83 - 1 - HD2 PRO 30 - H GLY 61 lone 1 63 - 1 - Peak 1061 from nnoeabs.peaks (4.19, 10.09, 113.12 ppm; 3.50 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 61 + H GLY 61 OK 100 100 - 100 - 3.0=100 HA GLU 56 - H GLY 61 OK 32 71 - 46 - 8301=14, 7024/3.5=9...(10) HA ARG 92 - H GLY 61 lone 5 99 - 5 - 3482/3.0=1 HA ILE 22 - H GLY 61 lone 4 78 - 6 - 287/4.6=1, 3482/3.0=1 HA LEU 126 - H GLY 61 lone 2 92 - 2 - HA PRO 68 - H GLY 61 lone 2 99 - 2 - HA VAL 26 - H GLY 61 lone 1 65 - 2 - HA SER 13 - H GLY 61 lone 1 78 - 1 - HA VAL 66 - H GLY 61 lone 1 81 - 1 - HA CYS 52 - H GLY 61 lone 1 63 - 1 - HA SER 78 - H GLY 61 lone 1 68 - 1 - Peak 1062 from nnoeabs.peaks (8.33, 8.33, 116.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 62 + H THR 62 OK 100 100 - 100 Peak 1063 from nnoeabs.peaks (3.99, 8.33, 116.84 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 62 + H THR 62 OK 100 100 - 100 - 3.0=100 HA ARG 81 - H THR 62 OK 27 100 - 27 - 3.6/1469=5, 289/4.6=4...(9) HA LEU 117 - H THR 62 OK 19 99 - 19 - 3495/4.0=4, 3491/3.9=3...(7) HA PHE 107 - H THR 62 lone 4 96 - 4 - HA ALA 14 - H THR 62 lone 2 65 - 3 - Peak 1064 from nnoeabs.peaks (3.92, 8.33, 116.84 ppm; 3.49 A): 2 out of 14 assignments used, quality = 0.87: * HB THR 62 + H THR 62 OK 85 100 - 85 - 3.9=72, 2.1/1065=22...(5) HA ARG 85 + H THR 62 OK 11 89 - 13 - 3.6/1489=2, 3496/4.0=2...(6) HD2 PRO 68 - H THR 62 lone 9 100 - 9 - 3488/3.0=2, 3496/4.0=2...(4) HD3 PRO 68 - H THR 62 lone 9 100 - 9 - 3488/3.0=2, 3496/4.0=2...(4) HA ARG 53 - H THR 62 lone 6 65 - 9 - 3496/4.0=2, 3488/3.0=1...(5) HA THR 23 - H THR 62 lone 4 83 - 5 - HA ALA 43 - H THR 62 lone 2 99 - 2 - HA ILE 34 - H THR 62 lone 2 97 - 2 - HA2 GLY 25 - H THR 62 lone 2 83 - 2 - HB2 SER 112 - H THR 62 lone 2 78 - 2 - HB3 SER 112 - H THR 62 lone 1 73 - 2 - HB THR 95 - H THR 62 lone 1 71 - 2 - HA3 GLY 2 - H THR 62 lone 1 97 - 1 - HA2 GLY 2 - H THR 62 lone 1 97 - 1 - Peak 1065 from nnoeabs.peaks (1.11, 8.33, 116.84 ppm; 3.63 A): 3 out of 4 assignments used, quality = 0.93: * QG2 THR 62 + H THR 62 OK 89 100 - 89 - 4.0=76, 2.1/1064=22...(7) QG2 VAL 120 + H THR 62 OK 20 93 - 21 - 8060/3.0=8, 3493/3.9=3...(5) QD2 LEU 117 + H THR 62 OK 14 68 - 20 - 3489/3.0=4, 3.8/1063=3...(9) QG2 VAL 50 - H THR 62 lone 5 68 - 8 - 4.3/1469=2, 291/4.6=2...(4) Peak 1066 from nnoeabs.peaks (8.44, 8.44, 121.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 63 + H ILE 63 OK 100 100 - 100 Peak 1067 from nnoeabs.peaks (4.14, 8.44, 121.79 ppm; 3.72 A): 1 out of 12 assignments used, quality = 1.00: * HA ILE 63 + H ILE 63 OK 100 100 - 100 - 3.0=100 HA PHE 83 - H ILE 63 OK 33 97 - 34 - 3.0/398=7, 3.6/1686=5...(12) HA ILE 124 - H ILE 63 OK 25 100 - 25 - 3.6/288=3, 5935/4.6=3...(13) HA ARG 57 - H ILE 63 OK 21 73 - 29 - 3.0/1071=4, 3513/4.0=4...(14) HA PRO 37 - H ILE 63 OK 15 100 - 15 - 3513/4.0=2, 2668/4.0=1...(6) HA ALA 98 - H ILE 63 lone 8 100 - 8 - 3513/4.0=1 HA GLU 28 - H ILE 63 lone 7 83 - 8 - HB3 SER 78 - H ILE 63 lone 6 97 - 7 - HB2 SER 113 - H ILE 63 lone 6 92 - 7 - HA ASN 108 - H ILE 63 lone 5 100 - 5 - HB3 SER 72 - H ILE 63 lone 5 100 - 5 - HA3 GLY 25 - H ILE 63 lone 4 73 - 5 - 1.8/290=1 Peak 1068 from nnoeabs.peaks (2.06, 8.44, 121.79 ppm; 3.20 A): 5 out of 16 assignments used, quality = 0.91: * HB ILE 63 + H ILE 63 OK 74 100 - 74 - 4.0=53, 2.1/1069=13...(10) HB3 ARG 81 + H ILE 63 OK 31 96 - 33 - 3.0/289=5, 4.0/1484=3...(15) HB2 ARG 57 + H ILE 63 OK 24 99 - 25 - 1.8/1071=4, 3514/4.0=2...(11) HG2 GLU 64 + H ILE 63 OK 23 99 - 23 - 3558/4.6=6, 3505=3...(8) HB2 GLU 56 + H ILE 63 OK 19 73 - 26 - 3.0/8302=6, 3.0/8303=5...(11) HB2 GLN 16 - H ILE 63 OK 14 92 - 15 - 3.0/1966=2, 3.0/1958=2...(6) HB3 GLN 16 - H ILE 63 OK 14 90 - 15 - 3.0/1966=2, 3.0/1958=2...(6) HG3 PRO 60 - H ILE 63 OK 13 87 - 15 - 2.3/1071=3, 2.3/7134=3 HB2 GLU 15 - H ILE 63 OK 11 76 - 14 - 5445=2, 3.0/5448=2...(6) HG3 PRO 37 - H ILE 63 OK 10 93 - 11 - 3.8/1067=1 HB3 GLU 38 - H ILE 63 lone 8 100 - 8 - 3500/3.0=1 HB2 GLN 105 - H ILE 63 lone 5 95 - 6 - HG3 PRO 70 - H ILE 63 lone 4 76 - 6 - HG LEU 21 - H ILE 63 lone 4 85 - 4 - HB2 LEU 114 - H ILE 63 lone 3 87 - 3 - HG3 GLU 69 - H ILE 63 lone 3 65 - 4 - Peak 1069 from nnoeabs.peaks (0.76, 8.44, 121.79 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.92: * QG2 ILE 63 + H ILE 63 OK 90 100 - 90 - 4.0=75, 5665/4.6=17...(12) HG LEU 111 + H ILE 63 OK 23 97 - 23 - 3501/3.0=4, 3508/4.0=2...(9) QD1 LEU 84 - H ILE 63 OK 20 95 - 21 - 4.6/1686=4, 3501/3.0=3...(10) QG2 VAL 66 - H ILE 63 OK 18 96 - 19 - 3501/3.0=3, 3536/5.0=3...(6) QD2 LEU 93 - H ILE 63 OK 16 99 - 16 - 7605/4.0=3, 3501/3.0=2...(7) QD2 LEU 111 - H ILE 63 OK 10 63 - 17 - ~3501=2, 3501/3.0=2...(6) QD1 LEU 91 - H ILE 63 poor 9 89 - 10 - 8372/4.0=2, 3501/3.0=1 Peak 1070 from nnoeabs.peaks (1.60, 8.44, 121.79 ppm; 3.63 A): 6 out of 17 assignments used, quality = 0.91: * HG12 ILE 63 + H ILE 63 OK 69 100 - 69 - 5.2=33, 2.1/3533=13...(10) HG2 ARG 53 + H ILE 63 OK 26 99 - 26 - 1.8/1071=4, 5.0/1619=3...(11) HG2 ARG 81 + H ILE 63 OK 25 78 - 33 - 4.0/289=5, 2.9/5746=4...(16) HG3 ARG 81 + H ILE 63 OK 25 78 - 33 - 4.0/289=5, 2.9/5746=4...(16) HG2 ARG 57 + H ILE 63 OK 22 78 - 28 - 3.0/1071=4, 3.0/1068=3...(15) HB2 LEU 59 + H ILE 63 OK 12 78 - 15 - 7078/4.0=9, 7105/4.4=2 HB3 LEU 126 - H ILE 63 lone 6 100 - 6 - 7078/4.0=2 HB2 LEU 126 - H ILE 63 lone 6 100 - 6 - 7078/4.0=2 HD3 LYS 119 - H ILE 63 lone 6 100 - 6 - 7115/4.0=1 HD2 LYS 119 - H ILE 63 lone 6 99 - 6 - 7115/4.0=1 HG LEU 126 - H ILE 63 lone 4 99 - 4 - HG2 PRO 30 - H ILE 63 lone 4 97 - 4 - HG LEU 101 - H ILE 63 lone 4 89 - 4 - HD2 LYS 32 - H ILE 63 lone 3 99 - 3 - HD3 LYS 32 - H ILE 63 lone 3 99 - 3 - HD2 LYS 31 - H ILE 63 lone 3 85 - 3 - HD3 LYS 31 - H ILE 63 lone 3 85 - 3 - Peak 1071 from nnoeabs.peaks (1.82, 8.44, 121.79 ppm; 3.83 A): 6 out of 13 assignments used, quality = 0.94: * HG13 ILE 63 + H ILE 63 OK 74 100 - 74 - 5.2=39, 1.8/3519=16...(8) HB3 ARG 57 + H ILE 63 OK 35 99 - 35 - 1.8/1068=4, 3517/4.0=4...(15) HB2 PRO 60 + H ILE 63 OK 30 89 - 34 - 4.2/7121=17, 1.8/7134=5...(9) HG3 ARG 53 + H ILE 63 OK 27 99 - 27 - 1.8/1070=4, 5.0/1619=4...(11) HB3 GLU 56 + H ILE 63 OK 20 63 - 32 - 3.0/8302=9, 3.0/8303=8...(11) HG LEU 41 + H ILE 63 OK 13 96 - 14 - 2.1/1072=3, ~3504=2...(7) HB3 GLN 105 - H ILE 63 lone 8 100 - 7 - 3.0/7134=1, 3.0/7134=1 HG12 ILE 22 - H ILE 63 poor 7 65 - 10 - 7097/4.6=2, 3.2/1072=2 HB2 GLU 69 - H ILE 63 lone 6 95 - 6 - HG2 GLU 73 - H ILE 63 lone 6 87 - 6 - 2.9/5746=1 HG3 GLU 73 - H ILE 63 lone 5 85 - 6 - 2.9/5746=1 HB3 ARG 92 - H ILE 63 lone 4 93 - 4 - HG2 GLU 75 - H ILE 63 lone 4 99 - 4 - Peak 1072 from nnoeabs.peaks (0.94, 8.44, 121.79 ppm; 3.89 A): 3 out of 10 assignments used, quality = 0.93: * QD1 ILE 63 + H ILE 63 OK 88 100 - 88 - 5.0=47, 7149/4.0=19...(15) QD1 LEU 55 + H ILE 63 OK 24 99 - 24 - 7103/4.4=3, 7102/3.6=3...(10) QG2 ILE 124 + H ILE 63 OK 23 89 - 26 - 3504/3.0=4, 3.2/1067=3...(12) QD1 LEU 41 - H ILE 63 OK 20 98 - 20 - 3504/3.0=3, 3518/4.0=3...(7) QD2 LEU 27 - H ILE 63 OK 18 87 - 21 - 3504/3.0=2, 6537/4.6=2...(11) QG2 ILE 22 - H ILE 63 OK 16 89 - 18 - 7102/3.6=2, 3504/3.0=2...(9) QD1 LEU 27 - H ILE 63 OK 16 92 - 18 - 3504/3.0=2, 3518/4.0=2...(9) QG2 VAL 49 - H ILE 63 OK 10 81 - 13 - 4.3/1459=3, 4.0/1609=2...(4) QG2 VAL 115 - H ILE 63 lone 8 89 - 9 - HB2 GLN 42 - H ILE 63 lone 3 73 - 4 - Peak 1073 from nnoeabs.peaks (9.24, 9.24, 127.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 64 + H GLU 64 OK 100 100 - 100 Peak 1074 from nnoeabs.peaks (4.26, 9.24, 127.77 ppm; 3.75 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 64 + H GLU 64 OK 100 100 - 100 - 2.9=100 HA LEU 58 - H GLU 64 OK 23 99 - 23 - 3540=8, 7145/4.3=2...(10) HA GLU 94 - H GLU 64 OK 15 96 - 16 - 4.2/3564=3, 7145/4.3=2...(8) HA GLN 103 - H GLU 64 OK 12 90 - 13 - 4.0/7155=4, 300/4.6=3 HA ALA 89 - H GLU 64 lone 4 89 - 5 - 7145/4.3=1, 300/4.6=1 HB THR 19 - H GLU 64 lone 4 97 - 4 - HA3 GLY 48 - H GLU 64 lone 2 96 - 2 - HA THR 17 - H GLU 64 lone 2 71 - 3 - HA ALA 122 - H GLU 64 lone 2 96 - 2 - Peak 1075 from nnoeabs.peaks (1.94, 9.24, 127.77 ppm; 3.38 A): 2 out of 17 assignments used, quality = 0.98: * HB2 GLU 64 + H GLU 64 OK 87 100 - 87 - 4.0=62, 4.6/299=16...(18) HB3 GLU 64 + H GLU 64 OK 87 100 - 87 - 4.0=62, 4.6/299=16...(18) HB2 GLU 38 - H GLU 64 OK 15 100 - 15 - 1.8/294=2, 3.0/1078=2...(6) HG LEU 58 - H GLU 64 OK 13 100 - 13 - 4.3/3540=3, 3369/2.9=2...(5) HB3 GLU 94 - H GLU 64 OK 12 90 - 13 - 3.0/3564=3, 2.9/1074=2...(4) HB2 ARG 81 - H GLU 64 poor 7 60 - 12 - 4.3/292=4, 8684/3.6=2...(5) HB2 LEU 21 - H GLU 64 lone 6 97 - 6 - HB3 GLU 69 - H GLU 64 lone 5 99 - 5 - HB2 ARG 85 - H GLU 64 lone 4 97 - 4 - HB3 ARG 85 - H GLU 64 lone 4 97 - 4 - HB ILE 80 - H GLU 64 lone 4 92 - 4 - HB3 PRO 30 - H GLU 64 lone 3 97 - 3 - HB2 LYS 109 - H GLU 64 lone 3 100 - 3 - HB ILE 22 - H GLU 64 lone 2 63 - 4 - 2.1/298=1 HB3 LYS 119 - H GLU 64 lone 2 99 - 2 - HB3 GLU 73 - H GLU 64 lone 1 68 - 2 - HB3 MET 11 - H GLU 64 lone 1 81 - 1 - Peak 1076 from nnoeabs.peaks (1.93, 9.24, 127.77 ppm; 3.38 A): 2 out of 17 assignments used, quality = 0.98: * HB3 GLU 64 + H GLU 64 OK 87 100 - 87 - 4.0=62, 4.6/299=16...(18) HB2 GLU 64 + H GLU 64 OK 87 100 - 87 - 4.0=62, 4.6/299=16...(18) HB2 GLU 38 - H GLU 64 OK 15 99 - 15 - 1.8/294=2, 3.0/1078=2...(6) HG LEU 58 - H GLU 64 OK 13 100 - 13 - 4.3/3540=3, 3369/2.9=2...(5) HB3 GLU 94 - H GLU 64 OK 11 87 - 13 - 3.0/3564=3, 2.9/1074=2...(4) HB2 ARG 81 - H GLU 64 poor 8 65 - 13 - 4.3/292=4, 8684/3.6=2...(5) HB2 LEU 21 - H GLU 64 lone 6 98 - 6 - HB3 GLU 69 - H GLU 64 lone 5 99 - 5 - HB ILE 80 - H GLU 64 lone 4 95 - 5 - HB2 ARG 85 - H GLU 64 lone 4 96 - 4 - HB3 ARG 85 - H GLU 64 lone 4 96 - 4 - HB3 PRO 30 - H GLU 64 lone 3 96 - 3 - HB2 LYS 109 - H GLU 64 lone 3 100 - 3 - HB ILE 22 - H GLU 64 lone 3 68 - 4 - 2.1/298=1 HB3 LYS 119 - H GLU 64 lone 2 99 - 2 - HB3 GLU 73 - H GLU 64 lone 2 73 - 2 - HB3 MET 11 - H GLU 64 lone 1 85 - 1 - Peak 1077 from nnoeabs.peaks (2.07, 9.24, 127.77 ppm; 3.92 A): 2 out of 15 assignments used, quality = 0.99: HB ILE 63 + H GLU 64 OK 93 99 - 94 - 4.4=68, 2.1/5665=38...(12) * HG2 GLU 64 + H GLU 64 OK 84 100 - 84 - 5.0=48, 1.8/3564=21...(16) HB3 GLU 38 - H GLU 64 OK 21 96 - 22 - 1.8/1075=3, 3.0/1078=2...(10) HB2 ARG 57 - H GLU 64 OK 16 100 - 16 - 3514/4.3=3, 3300/3.6=3...(5) HB3 ARG 81 - H GLU 64 OK 15 83 - 18 - 4.3/292=5, 5747/4.6=3...(6) HB2 GLU 15 - H GLU 64 lone 9 92 - 10 - 5445/4.6=2, 4.6/292=2 HG LEU 21 - H GLU 64 lone 8 97 - 9 - HB2 GLN 16 - H GLU 64 lone 8 99 - 8 - 4.0/292=2, 1942/4.6=1 HB3 GLN 16 - H GLU 64 lone 8 99 - 8 - 4.0/292=2, 1942/4.6=1 HG3 PRO 37 - H GLU 64 lone 7 78 - 8 - 3.8/293=1, 3500/3.6=1 HG3 GLU 69 - H GLU 64 lone 6 85 - 7 - 3558=2 HB2 LEU 114 - H GLU 64 lone 6 97 - 6 - 303/4.6=2 HB2 LEU 101 - H GLU 64 lone 4 63 - 7 - 4.0/7159=2, 303/4.6=1 HG3 PRO 60 - H GLU 64 lone 4 68 - 6 - 3500/3.6=1, 3514/4.3=1 HB2 GLN 105 - H GLU 64 lone 3 100 - 3 - Peak 1078 from nnoeabs.peaks (2.24, 9.24, 127.77 ppm; 4.04 A): 4 out of 12 assignments used, quality = 0.93: * HG3 GLU 64 + H GLU 64 OK 85 100 - 85 - 5.0=52, 1.8/3558=20...(15) HG2 GLU 94 + H GLU 64 OK 25 100 - 25 - 3564=7, 3545/2.9=3...(10) HG3 GLU 28 + H GLU 64 OK 24 100 - 24 - 3564=7, 1.8/3564=5...(8) HG2 GLU 28 + H GLU 64 OK 24 99 - 24 - 3564=7, 1.8/3564=5...(8) HG2 GLU 38 - H GLU 64 OK 23 100 - 23 - 6718/7159=3, 3545/2.9=2...(10) HG3 GLU 38 - H GLU 64 OK 22 100 - 23 - 6718/7159=3, 3545/2.9=2...(10) HG2 GLU 56 - H GLU 64 OK 20 98 - 21 - 7025/4.3=9, 7135/3.6=3...(4) HG3 GLU 15 - H GLU 64 lone 9 93 - 10 - 5448/4.6=2, 7135/3.6=1 HB2 PRO 70 - H GLU 64 lone 9 99 - 9 - 7135/3.6=1, 7140/4.3=1 HB3 PRO 37 - H GLU 64 poor 8 78 - 11 - 2.3/293=2, 7135/3.6=2 HB3 LEU 117 - H GLU 64 lone 7 100 - 7 - 304/4.6=2 HB2 PRO 68 - H GLU 64 lone 5 100 - 5 - Peak 1079 from nnoeabs.peaks (7.21, 7.21, 119.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + H LYS 65 OK 100 100 - 100 Peak 1080 from nnoeabs.peaks (4.29, 7.21, 119.71 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 65 + H LYS 65 OK 100 100 - 100 - 3.0=100 HA LEU 114 - H LYS 65 OK 25 100 - 25 - 3.0/1472=4, 4.0/7956=3...(12) HA GLN 103 - H LYS 65 OK 22 90 - 25 - 4.0/7163=5, 4.0/7761=4...(8) HB2 SER 78 - H LYS 65 OK 18 98 - 19 - 7363=4, 1.8/7361=3...(6) HB3 SER 113 - H LYS 65 OK 18 99 - 18 - 1.8/7172=3, 4.7/1472=3...(6) HA GLU 94 - H LYS 65 lone 6 83 - 7 - 4.2/5673=1 HA ALA 122 - H LYS 65 lone 1 83 - 2 - Peak 1081 from nnoeabs.peaks (1.54, 7.21, 119.71 ppm; 3.09 A): 4 out of 5 assignments used, quality = 0.92: HB3 LYS 65 + H LYS 65 OK 66 100 - 66 - 4.0=45, 1.8/3580=7...(13) * HB2 LYS 65 + H LYS 65 OK 66 100 - 66 - 4.0=45, 1.8/3580=7...(13) HD3 LYS 46 + H LYS 65 OK 24 90 - 27 - 3.0/8581=3, 3.0/7163=3...(10) HG12 ILE 124 + H LYS 65 OK 10 99 - 10 - 4.0/7172=2, 3572/3.0=2...(5) HG3 LYS 109 - H LYS 65 lone 6 100 - 6 - 2.9/301=1 Peak 1082 from nnoeabs.peaks (1.54, 7.21, 119.71 ppm; 3.09 A): 4 out of 5 assignments used, quality = 0.92: * HB3 LYS 65 + H LYS 65 OK 66 100 - 66 - 4.0=45, 1.8/3580=7...(13) HB2 LYS 65 + H LYS 65 OK 66 100 - 66 - 4.0=45, 1.8/3580=7...(13) HD3 LYS 46 + H LYS 65 OK 24 90 - 27 - 3.0/8581=3, 3.0/7163=3...(10) HG12 ILE 124 + H LYS 65 OK 10 99 - 10 - 4.0/7172=2, 3572/3.0=2...(5) HG3 LYS 109 - H LYS 65 lone 6 100 - 6 - 2.9/301=1 Peak 1083 from nnoeabs.peaks (0.98, 7.21, 119.71 ppm; 3.69 A): 2 out of 9 assignments used, quality = 0.96: * HG2 LYS 65 + H LYS 65 OK 81 100 - 81 - 4.9=42, 3.0/1082=13...(18) HG3 LYS 65 + H LYS 65 OK 81 100 - 81 - 4.9=42, 3.0/1082=13...(18) QD1 LEU 101 - H LYS 65 OK 31 100 - 31 - 8152=5, 2.1/7727=3...(8) QD2 LEU 58 - H LYS 65 OK 17 95 - 17 - 6348=3, 3376/3.6=2...(5) QG1 VAL 18 - H LYS 65 OK 16 100 - 15 - 2.1/6350=4, 6348=3, 2.1/7164=2 QG2 ILE 124 - H LYS 65 OK 15 76 - 20 - 3.2/7172=3, 5352/4.0=3...(5) QD1 LEU 58 - H LYS 65 OK 13 81 - 16 - 2.1/6348=2, 2.1/302=2...(4) QG2 THR 95 - H LYS 65 lone 8 99 - 8 - 3575/3.0=1 HB3 LEU 27 - H LYS 65 lone 6 68 - 9 - 3.1/6534=2, 3.1/8410=1 Peak 1084 from nnoeabs.peaks (0.98, 7.21, 119.71 ppm; 3.69 A): 2 out of 9 assignments used, quality = 0.96: HG2 LYS 65 + H LYS 65 OK 81 100 - 81 - 4.9=42, 3.0/1082=13...(18) * HG3 LYS 65 + H LYS 65 OK 81 100 - 81 - 4.9=42, 3.0/1082=13...(18) QD1 LEU 101 - H LYS 65 OK 31 100 - 31 - 8152=5, 2.1/7727=3...(8) QD2 LEU 58 - H LYS 65 OK 17 95 - 17 - 6348=3, 3376/3.6=2...(5) QG1 VAL 18 - H LYS 65 OK 16 100 - 15 - 2.1/6350=4, 6348=3, 2.1/7164=2 QG2 ILE 124 - H LYS 65 OK 15 76 - 20 - 3.2/7172=3, 5352/4.0=3...(5) QD1 LEU 58 - H LYS 65 OK 13 81 - 16 - 2.1/6348=2, 2.1/302=2...(4) QG2 THR 95 - H LYS 65 lone 8 99 - 8 - 3575/3.0=1 HB3 LEU 27 - H LYS 65 lone 6 68 - 9 - 3.1/6534=2, 3.1/8410=1 Peak 1085 from nnoeabs.peaks (1.44, 7.21, 119.71 ppm; 4.35 A): 3 out of 16 assignments used, quality = 0.99: * HD2 LYS 65 + H LYS 65 OK 88 100 - 88 - 5.5=48, 3.8/1081=14...(18) HD3 LYS 65 + H LYS 65 OK 88 100 - 88 - 5.5=48, 3.8/1081=14...(18) HD2 LYS 46 + H LYS 65 OK 46 92 - 50 - 1.8/8584=8, 3.0/8581=7...(18) HB3 LEU 101 - H LYS 65 OK 35 100 - 36 - 3.0/7719=6, 3.1/1084=4...(12) HB3 GLU 75 - H LYS 65 OK 32 99 - 32 - 8332=5, 1.8/8333=5...(9) QB ALA 89 - H LYS 65 OK 19 100 - 19 - 2.9/1472=4, 2.1/300=3...(7) HB3 LEU 91 - H LYS 65 OK 16 93 - 17 - 5790/4.6=3, 3.1/7165=3...(5) HB3 LEU 45 - H LYS 65 OK 13 99 - 13 - 6840/4.9=2, 6840/4.9=2 HB2 LEU 93 - H LYS 65 poor 10 78 - 12 - 3.1/7165=3, ~7166=1...(4) HB2 LEU 51 - H LYS 65 poor 9 76 - 12 - 3.1/6939=4, 3.1/6941=3 QB ALA 98 - H LYS 65 lone 8 83 - 9 - 2.1/7172=2 QB ALA 14 - H LYS 65 lone 7 78 - 9 - HG LEU 24 - H LYS 65 lone 7 99 - 7 - ~7167=1 HG2 LYS 119 - H LYS 65 lone 6 89 - 6 - HG3 ARG 57 - H LYS 65 lone 4 73 - 6 - 3.0/303=1 HG3 LYS 31 - H LYS 65 lone 2 83 - 3 - Peak 1086 from nnoeabs.peaks (1.44, 7.21, 119.71 ppm; 4.35 A): 3 out of 16 assignments used, quality = 0.99: HD2 LYS 65 + H LYS 65 OK 88 100 - 88 - 5.5=48, 3.8/1081=14...(18) * HD3 LYS 65 + H LYS 65 OK 88 100 - 88 - 5.5=48, 3.8/1081=14...(18) HD2 LYS 46 + H LYS 65 OK 46 92 - 50 - 1.8/8584=8, 3.0/8581=7...(18) HB3 LEU 101 - H LYS 65 OK 35 100 - 36 - 3.0/7719=6, 3.1/1084=4...(12) HB3 GLU 75 - H LYS 65 OK 32 99 - 32 - 8332=5, 1.8/8333=5...(9) QB ALA 89 - H LYS 65 OK 19 100 - 19 - 2.9/1472=4, 2.1/300=3...(7) HB3 LEU 91 - H LYS 65 OK 16 93 - 17 - 5790/4.6=3, 3.1/7165=3...(5) HB3 LEU 45 - H LYS 65 OK 13 99 - 13 - 6840/4.9=2, 6840/4.9=2 HB2 LEU 93 - H LYS 65 poor 10 78 - 12 - 3.1/7165=3, ~7166=1...(4) HB2 LEU 51 - H LYS 65 poor 9 76 - 12 - 3.1/6939=4, 3.1/6941=3 QB ALA 98 - H LYS 65 lone 8 83 - 9 - 2.1/7172=2 QB ALA 14 - H LYS 65 lone 7 78 - 9 - HG LEU 24 - H LYS 65 lone 7 99 - 7 - ~7167=1 HG2 LYS 119 - H LYS 65 lone 6 89 - 6 - HG3 ARG 57 - H LYS 65 lone 4 73 - 6 - 3.0/303=1 HG3 LYS 31 - H LYS 65 lone 2 83 - 3 - Peak 1089 from nnoeabs.peaks (7.96, 7.96, 123.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 66 + H VAL 66 OK 100 100 - 100 Peak 1090 from nnoeabs.peaks (4.21, 7.96, 123.25 ppm; 3.37 A): 1 out of 11 assignments used, quality = 1.00: * HA VAL 66 + H VAL 66 OK 100 100 - 100 - 3.0=100 HA CYS 52 - H VAL 66 OK 23 99 - 24 - 6948/4.0=6, 3671/4.0=5...(7) HA ILE 22 - H VAL 66 OK 10 100 - 10 - 2146/4.0=2, 3671/4.0=2...(5) HA ARG 92 - H VAL 66 poor 10 60 - 16 - 3.6/450=2, 4414=2...(5) HA PRO 68 - H VAL 66 poor 9 63 - 14 - 7223/4.0=5, 3676/4.0=2...(7) HA ALA 89 - H VAL 66 lone 6 63 - 10 - 2.1/4357=2, 4354=2, 3.6/436=2 HA VAL 26 - H VAL 66 lone 4 99 - 4 - HA SER 13 - H VAL 66 lone 3 100 - 3 - HA LEU 126 - H VAL 66 lone 3 99 - 3 - HA THR 17 - H VAL 66 lone 2 83 - 3 - HA3 GLY 61 - H VAL 66 lone 1 81 - 1 - Peak 1091 from nnoeabs.peaks (1.75, 7.96, 123.25 ppm; 3.35 A): 4 out of 16 assignments used, quality = 0.87: * HB VAL 66 + H VAL 66 OK 76 100 - 76 - 4.0=59, 2.1/1092=19...(4) HB2 LEU 91 + H VAL 66 OK 27 95 - 28 - 1.8/312=4, 5789=4...(11) HB3 LYS 46 + H VAL 66 OK 13 100 - 13 - 2946/4.7=2, 2946/4.7=2...(4) HG LEU 117 + H VAL 66 OK 11 92 - 12 - 3662/3.0=2, 3677/4.0=2...(4) HB2 GLU 75 - H VAL 66 poor 10 63 - 15 - 3.0/1092=4, 1.8/311=2...(8) HB2 ARG 53 - H VAL 66 lone 9 99 - 9 - 3662/3.0=2, 3672/4.0=2 HB2 LEU 117 - H VAL 66 lone 6 68 - 9 - 6238/3.6=2, 3662/3.0=1...(4) HB2 LEU 45 - H VAL 66 lone 5 99 - 5 - HG2 GLN 42 - H VAL 66 lone 5 96 - 5 - HD2 LYS 109 - H VAL 66 lone 5 92 - 5 - HD3 LYS 109 - H VAL 66 lone 4 87 - 5 - HG3 PRO 30 - H VAL 66 lone 4 90 - 4 - HG2 ARG 71 - H VAL 66 lone 4 100 - 4 - HG3 ARG 71 - H VAL 66 lone 4 98 - 4 - HB3 ARG 71 - H VAL 66 lone 2 85 - 3 - HB2 LYS 31 - H VAL 66 lone 2 76 - 2 - Peak 1092 from nnoeabs.peaks (0.70, 7.96, 123.25 ppm; 3.31 A): 5 out of 5 assignments used, quality = 0.87: * QG1 VAL 66 + H VAL 66 OK 76 100 - 76 - 4.0=56, 5685/4.4=15...(6) HG3 GLU 75 + H VAL 66 OK 20 99 - 20 - 3663/3.0=4, 7167/3.6=3...(8) QD1 LEU 114 + H VAL 66 OK 14 63 - 22 - 4.0/306=4, 2.1/5084=4...(10) QD2 LEU 54 + H VAL 66 OK 11 97 - 11 - 3663/3.0=3, 3668/4.0=2...(4) QD1 LEU 77 + H VAL 66 OK 10 99 - 10 - 3663/3.0=2, 7167/3.6=2...(5) Peak 1093 from nnoeabs.peaks (0.77, 7.96, 123.25 ppm; 3.38 A): 4 out of 8 assignments used, quality = 0.91: * QG2 VAL 66 + H VAL 66 OK 81 100 - 81 - 4.0=60, 2.1/1092=20...(8) QG2 ILE 63 + H VAL 66 OK 35 96 - 37 - 7123=8, 7125/4.6=7...(12) QD1 LEU 91 + H VAL 66 OK 15 60 - 26 - 3.1/1091=4, 2.1/5792=3...(11) QD2 LEU 93 + H VAL 66 OK 13 87 - 14 - 4.7/450=2, 2.1/8528=2...(5) HG LEU 111 - H VAL 66 poor 8 78 - 10 - 7166/3.6=1, 3664/3.0=1 QD1 ILE 22 - H VAL 66 poor 8 63 - 12 - 3664/3.0=2, ~2162=2...(6) QD1 LEU 111 - H VAL 66 lone 6 73 - 9 - 4.0/6219=1 QD1 LEU 84 - H VAL 66 lone 4 71 - 5 - Peak 1094 from nnoeabs.peaks (9.60, 9.60, 127.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 67 + H TYR 67 OK 100 100 - 100 Peak 1095 from nnoeabs.peaks (4.82, 9.60, 127.29 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 67 + H TYR 67 OK 100 100 - 100 - 3.0=100 HA PHE 96 - H TYR 67 OK 29 93 - 31 - 3680=5, 2.9/7206=4...(12) HA ASP 97 - H TYR 67 OK 12 81 - 14 - 4.8/3680=4, ~476=3...(7) Peak 1096 from nnoeabs.peaks (2.84, 9.60, 127.29 ppm; 3.64 A): 3 out of 10 assignments used, quality = 1.00: * HB2 TYR 67 + H TYR 67 OK 94 100 - 94 - 3.8=87, 2.6/4829=32...(11) HB3 TYR 67 + H TYR 67 OK 94 100 - 94 - 3.8=87, 2.6/4829=32...(11) HB2 ASN 79 + H TYR 67 OK 46 100 - 46 - 3.5/8141=18, 3.5/8142=15...(9) HB3 PHE 107 - H TYR 67 OK 21 100 - 21 - 2.4/1099=6, 4840/4.5=4...(8) HG CYS 52 - H TYR 67 OK 14 95 - 15 - 7190/4.3=4, 7183/4.3=4...(4) HB2 ASN 99 - H TYR 67 lone 7 100 - 7 - 3707/4.5=1, 3682/3.0=1 HB2 CYS 76 - H TYR 67 lone 4 83 - 5 - 7328/4.5=1 HB2 ASP 36 - H TYR 67 lone 3 100 - 2 - HE3 LYS 119 - H TYR 67 lone 1 76 - 2 - HE2 LYS 119 - H TYR 67 lone 1 73 - 2 - Peak 1097 from nnoeabs.peaks (2.84, 9.60, 127.29 ppm; 3.64 A): 3 out of 10 assignments used, quality = 1.00: HB2 TYR 67 + H TYR 67 OK 94 100 - 94 - 3.8=87, 2.6/4829=32...(11) * HB3 TYR 67 + H TYR 67 OK 94 100 - 94 - 3.8=87, 2.6/4829=32...(11) HB2 ASN 79 + H TYR 67 OK 46 100 - 46 - 3.5/8141=18, 3.5/8142=15...(9) HB3 PHE 107 - H TYR 67 OK 21 100 - 21 - 2.4/1099=6, 4840/4.5=4...(8) HG CYS 52 - H TYR 67 OK 14 95 - 15 - 7190/4.3=4, 7183/4.3=4...(4) HB2 ASN 99 - H TYR 67 lone 7 100 - 7 - 3707/4.5=1, 3682/3.0=1 HB2 CYS 76 - H TYR 67 lone 4 83 - 5 - 7328/4.5=1 HB2 ASP 36 - H TYR 67 lone 3 100 - 2 - HE3 LYS 119 - H TYR 67 lone 1 76 - 2 - HE2 LYS 119 - H TYR 67 lone 1 73 - 2 - Peak 1099 from nnoeabs.peaks (7.20, 9.60, 127.29 ppm; 3.83 A): 4 out of 6 assignments used, quality = 0.94: * QD TYR 67 + H TYR 67 OK 87 100 - 87 - 4.5=63, 4577/3.0=29...(12) QD PHE 107 + H TYR 67 OK 32 92 - 35 - 4809/4.3=5, 7204/4.3=4...(14) H LYS 65 + H TYR 67 OK 29 97 - 31 - 1472/4.4=9, 7205/3.6=6...(9) QD TYR 102 + H TYR 67 OK 10 83 - 13 - 305/4.4=2, 4747/4.3=2...(5) QE PHE 40 - H TYR 67 lone 6 89 - 6 - HE ARG 81 - H TYR 67 lone 5 81 - 6 - 7204/4.3=1, 7199/4.3=1 Peak 1100 from nnoeabs.peaks (8.26, 8.26, 117.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 69 + H GLU 69 OK 100 100 - 100 Peak 1101 from nnoeabs.peaks (4.58, 8.26, 117.58 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 69 + H GLU 69 OK 100 100 - 100 - 3.0=100 HA ASP 47 - H GLU 69 OK 35 100 - 35 - 3759=6, 3.0/6894=4...(15) HA TRP 20 - H GLU 69 OK 28 89 - 32 - 2018=4, 3772/3.6=4...(15) HA LEU 45 - H GLU 69 OK 11 92 - 12 - 3772/3.6=1, 3766/3.6=1, ~965=1 HA ASN 99 - H GLU 69 lone 3 78 - 4 - HB THR 121 - H GLU 69 lone 2 87 - 2 - HA THR 95 - H GLU 69 lone 1 57 - 2 - Peak 1102 from nnoeabs.peaks (1.83, 8.26, 117.58 ppm; 3.19 A): 2 out of 11 assignments used, quality = 0.87: * HB2 GLU 69 + H GLU 69 OK 85 100 - 85 - 3.6=69, 1.8/1103=19...(10) HB3 GLN 105 + H GLU 69 OK 14 92 - 16 - 3765=4, 3766/3.0=3...(6) HG LEU 41 - H GLU 69 lone 10 100 - 10 - 2.1/7240=2, 8326/4.8=1 HG13 ILE 63 - H GLU 69 lone 8 95 - 9 - 2.1/7240=1, 3761/3.0=1 HG12 ILE 22 - H GLU 69 lone 7 93 - 7 - 3.2/7240=1 HG2 GLU 75 - H GLU 69 lone 6 83 - 7 - 1.8/7241=2, 3.6/7244=1 HG3 ARG 53 - H GLU 69 lone 5 99 - 5 - HB3 ARG 92 - H GLU 69 lone 3 65 - 4 - 3.0/320=2, 8430/3.6=1 HG3 GLU 73 - H GLU 69 lone 3 99 - 2 - HG2 GLU 73 - H GLU 69 lone 2 100 - 2 - HB3 ARG 57 - H GLU 69 lone 2 81 - 3 - Peak 1103 from nnoeabs.peaks (1.94, 8.26, 117.58 ppm; 3.11 A): 2 out of 15 assignments used, quality = 0.84: * HB3 GLU 69 + H GLU 69 OK 82 100 - 82 - 3.6=64, 1.8/1102=19...(10) HB3 PRO 30 + H GLU 69 OK 11 100 - 12 - 1.8/1104=3, 3768/3.6=2...(5) HB ILE 80 - H GLU 69 poor 9 81 - 11 - 3.0/1104=2, 3768/3.6=1...(5) HB2 LEU 21 - H GLU 69 lone 7 89 - 8 - 3.8/55=2, 5975/4.8=1 HB2 GLU 64 - H GLU 69 lone 6 99 - 6 - 3.0/3783=1 HB3 GLU 64 - H GLU 69 lone 6 99 - 6 - 3.0/3783=1 HB2 LYS 109 - H GLU 69 lone 6 99 - 6 - 1.8/324=2 HB3 GLU 94 - H GLU 69 lone 5 97 - 5 - 4526/3.9=1, 4528/3.9=1 HG LEU 58 - H GLU 69 lone 5 97 - 5 - HB2 GLU 38 - H GLU 69 lone 5 100 - 5 - HG LEU 45 - H GLU 69 lone 4 63 - 6 - 3.6/1101=1 HB3 LYS 119 - H GLU 69 lone 3 100 - 3 - HB2 ARG 85 - H GLU 69 lone 2 100 - 2 - HB3 ARG 85 - H GLU 69 lone 2 100 - 2 - HB3 MET 11 - H GLU 69 lone 1 65 - 1 - Peak 1104 from nnoeabs.peaks (2.15, 8.26, 117.58 ppm; 3.92 A): 5 out of 5 assignments used, quality = 0.93: * HG2 GLU 69 + H GLU 69 OK 84 100 - 84 - 5.0=47, 3.0/1102=21...(9) HB3 GLU 15 + H GLU 69 OK 20 96 - 21 - 3775/3.6=4, 1.8/1105=4...(8) HB2 PRO 30 + H GLU 69 OK 19 95 - 20 - 3775/3.6=5, 3769/3.6=4...(6) HB VAL 115 + H GLU 69 OK 18 96 - 19 - 2.1/7240=4, 3.0/7244=4...(6) HG12 ILE 80 + H GLU 69 OK 18 93 - 19 - 3775/3.6=4, 3769/3.6=3...(7) Peak 1105 from nnoeabs.peaks (2.09, 8.26, 117.58 ppm; 3.62 A): 3 out of 12 assignments used, quality = 0.93: * HG3 GLU 69 + H GLU 69 OK 78 100 - 78 - 5.0=37, 1.8/3777=20...(9) HB3 PRO 70 + H GLU 69 OK 58 95 - 61 - 3.0/7243=16, 3.0/7244=15...(14) HB2 GLU 15 + H GLU 69 OK 21 100 - 21 - 1.8/1104=4, 3776/3.6=3...(9) HB2 GLN 105 - H GLU 69 OK 16 93 - 18 - 1.8/1102=4, 4773/3.6=3...(7) HB2 LEU 114 - H GLU 69 OK 14 98 - 15 - 3.1/7241=3, 5067/3.9=3...(5) HG2 GLU 64 - H GLU 69 OK 11 85 - 13 - 3783=3, 3784/3.0=2...(6) HG LEU 21 - H GLU 69 OK 11 99 - 11 - 4.7/55=2, 3.0/1103=1...(4) HB2 LEU 101 - H GLU 69 lone 9 98 - 9 - 3798/4.8=2, 3791/4.8=2 HB ILE 63 - H GLU 69 poor 7 65 - 11 - 3.0/1102=2, 3.2/7240=2...(4) HB3 GLN 16 - H GLU 69 lone 5 97 - 5 - 3.0/5964=1 HB2 GLN 16 - H GLU 69 lone 5 96 - 5 - 3.0/5964=1 HB2 ARG 57 - H GLU 69 lone 3 85 - 4 - Peak 1106 from nnoeabs.peaks (9.10, 9.10, 121.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 71 + H ARG 71 OK 100 100 - 100 Peak 1107 from nnoeabs.peaks (4.48, 9.10, 121.85 ppm; 2.81 A): 2 out of 7 assignments used, quality = 0.98: * HA ARG 71 + H ARG 71 OK 94 100 - 94 - 3.0=87, 3.0/3854=13...(13) HA PRO 70 + H ARG 71 OK 64 100 - 64 - 3.5=50, 2.3/329=10...(9) HA PRO 60 - H ARG 71 OK 16 90 - 17 - 2.3/8415=3, 5696=3...(6) HA PRO 30 - H ARG 71 OK 14 87 - 17 - 6581/4.6=2, 2.3/3846=2...(6) HA LEU 101 - H ARG 71 OK 13 99 - 13 - 3817/3.9=2, 3.0/329=2...(4) HA LEU 91 - H ARG 71 lone 6 78 - 7 - HA SER 90 - H ARG 71 lone 2 83 - 2 - Peak 1108 from nnoeabs.peaks (1.97, 9.10, 121.85 ppm; 3.76 A): 1 out of 17 assignments used, quality = 0.97: * HB2 ARG 71 + H ARG 71 OK 97 100 - 97 - 4.0=82, 1.8/3854=32...(15) HG2 PRO 60 - H ARG 71 OK 28 85 - 33 - 2.3/8415=6, 1.8/331=6...(12) HB3 PRO 30 - H ARG 71 OK 23 68 - 34 - 3846=5, 3840/3.0=4...(16) HG LEU 45 - H ARG 71 OK 18 100 - 19 - 3840/3.0=3, 3.0/7279=2...(9) HB3 PRO 68 - H ARG 71 lone 10 98 - 10 - 3739/3.9=3, 1.8/328=2 HG2 PRO 68 - H ARG 71 lone 9 99 - 9 - 2.3/328=2, 3746/3.9=1 HG LEU 114 - H ARG 71 lone 6 99 - 6 - 5079/3.9=2 HB2 LYS 46 - H ARG 71 lone 5 73 - 7 - 3.5/7279=1 HB2 LEU 41 - H ARG 71 lone 4 98 - 5 - HB2 LEU 55 - H ARG 71 lone 3 65 - 4 - HB ILE 124 - H ARG 71 lone 3 98 - 3 - HB3 GLN 103 - H ARG 71 lone 2 98 - 2 - HB3 GLU 94 - H ARG 71 lone 2 83 - 2 - HB2 GLU 94 - H ARG 71 lone 2 73 - 2 - HB2 MET 11 - H ARG 71 lone 1 96 - 2 - HB2 ARG 85 - H ARG 71 lone 1 68 - 1 - HB3 ARG 85 - H ARG 71 lone 1 68 - 1 - Peak 1109 from nnoeabs.peaks (1.73, 9.10, 121.85 ppm; 3.07 A): 3 out of 11 assignments used, quality = 0.97: * HB3 ARG 71 + H ARG 71 OK 80 100 - 80 - 4.0=45, 1.8/3846=19...(14) HG2 ARG 71 + H ARG 71 OK 72 92 - 78 - 5.0=23, 3.0/3854=16...(18) HG3 ARG 71 + H ARG 71 OK 49 63 - 78 - 5.0=23, 3.0/3854=16...(18) HB2 LYS 31 - H ARG 71 OK 12 100 - 12 - 3854=4, 3855/3.0=2...(6) HB2 LEU 91 - H ARG 71 lone 8 99 - 8 - 4380/3.0=2, 1.8/7279=1 HB2 ARG 53 - H ARG 71 lone 7 95 - 7 - 3.0/8415=1, 1.8/331=1 HB2 LEU 45 - H ARG 71 lone 6 71 - 9 - 1.8/7279=2, 3.0/1108=2...(4) HB3 LYS 46 - H ARG 71 lone 2 76 - 3 - HB3 LEU 55 - H ARG 71 lone 2 97 - 2 - HB3 LEU 77 - H ARG 71 lone 1 87 - 2 - HB VAL 66 - H ARG 71 lone 1 85 - 1 - Peak 1110 from nnoeabs.peaks (1.74, 9.10, 121.85 ppm; 3.07 A): 3 out of 15 assignments used, quality = 0.98: * HG2 ARG 71 + H ARG 71 OK 78 100 - 78 - 5.0=23, 3.0/3854=16...(19) HG3 ARG 71 + H ARG 71 OK 74 95 - 78 - 5.0=23, 3.0/3854=16...(18) HB3 ARG 71 + H ARG 71 OK 74 92 - 80 - 4.0=45, 1.8/3846=19...(14) HG3 PRO 30 - H ARG 71 OK 15 83 - 19 - 3870=3, 2.3/3846=3...(9) HB2 LEU 45 - H ARG 71 OK 10 97 - 10 - 1.8/7279=2, 3.0/1108=2...(5) HB2 LYS 31 - H ARG 71 poor 9 85 - 11 - 3854=3, 3855/3.0=2...(5) HB2 LEU 91 - H ARG 71 lone 7 98 - 7 - 4380/3.0=1, 1.8/7279=1 HB2 ARG 53 - H ARG 71 lone 7 100 - 7 - 3.0/8415=1, 1.8/331=1 HG2 GLN 42 - H ARG 71 lone 4 90 - 4 - 3.9/8693=1 HG LEU 117 - H ARG 71 lone 4 85 - 4 - 5154/3.9=1 HB3 LYS 46 - H ARG 71 lone 4 99 - 4 - HB3 LEU 55 - H ARG 71 lone 1 68 - 2 - HB VAL 66 - H ARG 71 lone 1 100 - 1 - HD2 LYS 109 - H ARG 71 lone 1 85 - 1 - HD3 LYS 109 - H ARG 71 lone 1 78 - 1 - Peak 1111 from nnoeabs.peaks (1.76, 9.10, 121.85 ppm; 3.14 A): 3 out of 15 assignments used, quality = 0.98: * HG3 ARG 71 + H ARG 71 OK 80 100 - 80 - 5.0=25, 3.0/3854=17...(19) HG2 ARG 71 + H ARG 71 OK 76 95 - 80 - 5.0=25, 3.0/3854=17...(19) HB3 ARG 71 + H ARG 71 OK 52 63 - 82 - 4.0=48, 1.8/3846=20...(15) HB2 GLU 75 - H ARG 71 OK 38 85 - 45 - 1.8/8334=13, 8335=11...(9) HG3 PRO 30 - H ARG 71 OK 20 99 - 21 - 3870=3, 2.3/3846=3...(11) HB2 LEU 45 - H ARG 71 OK 11 100 - 11 - 1.8/7279=2, 6032/3878=2...(5) HB2 ARG 53 - H ARG 71 lone 7 92 - 7 - 3.0/8415=1, 1.8/331=1 HB2 LEU 91 - H ARG 71 lone 6 78 - 7 - 4380/3.0=1, 1.8/7279=1 HG LEU 117 - H ARG 71 lone 6 99 - 6 - 5154/3.9=2, 7256/3.9=1 HB2 LEU 117 - H ARG 71 lone 5 89 - 6 - 5140/3.9=2, 7256/3.9=1 HG2 GLN 42 - H ARG 71 lone 5 100 - 5 - 3.9/8693=1 HB3 LYS 46 - H ARG 71 lone 4 100 - 4 - HB VAL 66 - H ARG 71 lone 2 98 - 2 - HD2 LYS 109 - H ARG 71 lone 1 99 - 1 - HD3 LYS 109 - H ARG 71 lone 1 98 - 1 - Peak 1114 from nnoeabs.peaks (7.42, 7.42, 111.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 72 + H SER 72 OK 100 100 - 100 HE21 GLN 105 + HE21 GLN 105 OK 89 89 - 100 Peak 1115 from nnoeabs.peaks (4.72, 7.42, 111.59 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 72 + H SER 72 OK 100 100 - 100 - 3.0=100 HA SER 72 - HE21 GLN 105 lone 6 92 - 6 - 3894=1, 3.0/3898=1, 3.0/3902=1 HA ASN 12 - H SER 72 lone 2 60 - 3 - HA ASN 12 - HE21 GLN 105 lone 1 50 - 1 - Peak 1116 from nnoeabs.peaks (3.77, 7.42, 111.59 ppm; 4.35 A): 1 out of 22 assignments used, quality = 1.00: * HB2 SER 72 + H SER 72 OK 100 100 - 100 - 3.9=100 HD2 PRO 30 - H SER 72 OK 35 97 - 36 - 3.6/6581=8, 3.0/6582=7...(11) HB3 SER 74 - H SER 72 OK 24 100 - 24 - 4.0/1477=5, 3904/3.9=4...(8) HB2 SER 74 - H SER 72 OK 24 99 - 24 - 4.0/1477=5, 3904/3.9=4...(8) HA GLU 38 - H SER 72 lone 7 87 - 8 - HB2 SER 72 - HE21 GLN 105 lone 6 92 - 7 - 3898=2, 3.0/1115=2, 1.8/3902=2 HD2 PRO 30 - HE21 GLN 105 lone 5 87 - 5 - 3.6/6581=1, 3.0/6582=1 HA CYS 87 - H SER 72 lone 4 85 - 5 - HA GLU 38 - HE21 GLN 105 lone 3 75 - 4 - HA LEU 54 - H SER 72 lone 3 60 - 5 - 4.0/7285=1 HA CYS 87 - HE21 GLN 105 lone 3 73 - 3 - HB3 SER 13 - H SER 72 lone 2 96 - 2 - HB2 SER 90 - H SER 72 lone 2 76 - 3 - HB3 SER 74 - HE21 GLN 105 lone 2 91 - 2 - HB2 SER 74 - HE21 GLN 105 lone 2 90 - 2 - HB3 SER 35 - H SER 72 lone 2 87 - 2 - HA2 GLY 61 - H SER 72 lone 2 87 - 2 - HB3 SER 35 - HE21 GLN 105 lone 1 75 - 2 - HA LEU 54 - HE21 GLN 105 lone 1 50 - 2 - HB3 SER 13 - HE21 GLN 105 lone 1 85 - 1 - HB2 SER 90 - HE21 GLN 105 lone 1 64 - 1 - HA2 GLY 61 - HE21 GLN 105 lone 1 75 - 1 - Peak 1117 from nnoeabs.peaks (4.14, 7.42, 111.59 ppm; 4.82 A): 1 out of 26 assignments used, quality = 1.00: * HB3 SER 72 + H SER 72 OK 100 100 - 100 - 3.9=100 HA PRO 37 - H SER 72 lone 9 100 - 9 - 345/4.6=2, 3897/3.0=2 HA ILE 124 - H SER 72 lone 8 100 - 8 - 345/4.6=2, 3897/3.0=1 HB3 SER 78 - H SER 72 lone 7 96 - 8 - 6097/7287=2, 4.5/1153=1 HB3 SER 72 - HE21 GLN 105 lone 7 92 - 7 - 3902=2, 3.0/1115=2, 1.8/3898=2 HA ILE 63 - H SER 72 lone 5 100 - 5 - HA ARG 57 - H SER 72 lone 5 71 - 7 - 345/4.6=1 HA ILE 63 - HE21 GLN 105 lone 4 92 - 5 - HB2 SER 113 - H SER 72 lone 4 93 - 4 - HA ARG 57 - HE21 GLN 105 lone 4 60 - 7 - 3.0/770=1, 3.0/769=1 HA PRO 37 - HE21 GLN 105 lone 4 91 - 4 - 5996/6.3=1 HA SER 78 - H SER 72 lone 3 60 - 6 - 3.6/1153=2 HA ALA 98 - H SER 72 lone 3 100 - 3 - HA PHE 83 - H SER 72 lone 3 98 - 3 - HB3 SER 78 - HE21 GLN 105 lone 3 85 - 4 - 4.5/1153=1 HA GLU 28 - H SER 72 lone 3 85 - 4 - 345/4.6=1 HA ASN 108 - H SER 72 lone 3 100 - 3 - HA SER 78 - HE21 GLN 105 lone 2 50 - 4 - 3.6/1153=2 HA ILE 124 - HE21 GLN 105 lone 2 92 - 2 - HA ALA 98 - HE21 GLN 105 lone 1 92 - 2 - HA ASN 108 - HE21 GLN 105 lone 1 91 - 2 - HA3 GLY 25 - H SER 72 lone 1 71 - 2 - HB2 SER 113 - HE21 GLN 105 lone 1 82 - 2 - HA PHE 83 - HE21 GLN 105 lone 1 88 - 1 - HA GLU 28 - HE21 GLN 105 lone 1 73 - 1 - HA3 GLY 25 - HE21 GLN 105 lone 1 60 - 1 - Peak 1118 from nnoeabs.peaks (9.17, 9.17, 123.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 73 + H GLU 73 OK 100 100 - 100 Peak 1119 from nnoeabs.peaks (3.74, 9.17, 123.84 ppm; 4.49 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 73 + H GLU 73 OK 100 100 - 100 - 3.0=100 HA LEU 54 - H GLU 73 OK 17 100 - 17 - 3919/4.1=3, 3913/4.1=3...(8) HA GLU 38 - H GLU 73 OK 12 92 - 13 - ~6084=3, 3913/4.1=2...(5) HD2 PRO 30 - H GLU 73 lone 6 76 - 8 - 3896/3.6=2, 3904/4.5=1 HA CYS 87 - H GLU 73 lone 6 93 - 6 - HB3 SER 90 - H GLU 73 lone 5 97 - 5 - HB3 SER 35 - H GLU 73 lone 2 92 - 3 - HB3 SER 13 - H GLU 73 lone 2 81 - 3 - HA3 GLY 86 - H GLU 73 lone 2 78 - 3 - HA2 GLY 104 - H GLU 73 lone 1 60 - 2 - Peak 1120 from nnoeabs.peaks (2.19, 9.17, 123.84 ppm; 4.47 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 73 + H GLU 73 OK 100 100 - 100 - 4.1=100 HB VAL 26 - H GLU 73 OK 19 100 - 20 - 3908/3.0=6, ~6510=3...(7) HG12 ILE 80 - H GLU 73 OK 17 65 - 27 - 3912=7, 3908/3.0=5...(10) HG2 PRO 37 - H GLU 73 OK 10 96 - 11 - 3908/3.0=2, 3.8/345=2...(5) HB3 PRO 37 - H GLU 73 lone 7 71 - 10 - 2.3/345=2, 3908/3.0=2, ~3908=1 HB VAL 49 - H GLU 73 lone 6 100 - 6 - 3908/3.0=2, 3920/4.1=1 Peak 1121 from nnoeabs.peaks (1.91, 9.17, 123.84 ppm; 4.45 A): 1 out of 17 assignments used, quality = 1.00: * HB3 GLU 73 + H GLU 73 OK 100 100 - 100 - 4.1=100 HB2 ARG 81 - H GLU 73 OK 24 100 - 25 - 3918=9, 3919/3.0=5...(7) HB ILE 80 - H GLU 73 OK 24 97 - 25 - 3909/3.0=5, 3.0/3912=4...(10) HB ILE 22 - H GLU 73 OK 14 100 - 14 - 3909/3.0=3, 2151/5.1=2...(6) HB2 GLU 28 - H GLU 73 lone 6 99 - 6 - 3909/3.0=1, 3.0/345=1 HB2 LEU 21 - H GLU 73 lone 5 92 - 5 - ~6420=1, 3909/3.0=1 HB2 LEU 84 - H GLU 73 lone 3 99 - 3 - HB3 LYS 31 - H GLU 73 lone 3 68 - 5 - 5519/4.6=3 HB VAL 50 - H GLU 73 lone 2 68 - 3 - 3909/3.0=1 HG LEU 55 - H GLU 73 lone 2 65 - 3 - HG LEU 84 - H GLU 73 lone 2 76 - 3 - HG LEU 58 - H GLU 73 lone 2 81 - 2 - HB2 LYS 109 - H GLU 73 lone 2 68 - 3 - HB3 MET 11 - H GLU 73 lone 2 100 - 2 - HB3 GLU 64 - H GLU 73 lone 1 73 - 2 - HB2 GLU 64 - H GLU 73 lone 1 68 - 2 - HB2 LYS 119 - H GLU 73 lone 1 68 - 2 - Peak 1122 from nnoeabs.peaks (1.84, 9.17, 123.84 ppm; 4.77 A): 2 out of 11 assignments used, quality = 0.99: * HG2 GLU 73 + H GLU 73 OK 92 100 - 92 - 5.1=81, 4.9/346=22...(6) HG3 GLU 73 + H GLU 73 OK 92 100 - 92 - 5.1=81, 4.9/346=22...(6) HG12 ILE 22 - H GLU 73 OK 11 98 - 12 - 2.9/1121=3, 3910/3.0=2...(5) HG3 ARG 53 - H GLU 73 lone 9 97 - 9 - ~6082=2, 3910/3.0=2, 3916/4.1=2 HB3 ARG 57 - H GLU 73 poor 9 68 - 12 - 6076/3.0=2, ~6082=2...(5) HG LEU 41 - H GLU 73 lone 7 99 - 7 - ~6008=1, 3910/3.0=1 HG2 GLU 75 - H GLU 73 poor 7 71 - 10 - 350/4.6=3, 770/4.6=2...(4) HG13 ILE 63 - H GLU 73 lone 5 87 - 6 - 3.7/345=1 HB2 GLU 69 - H GLU 73 lone 3 100 - 3 - HB3 GLN 105 - H GLU 73 lone 3 83 - 3 - 4784/4.6=1 HB3 LYS 109 - H GLU 73 lone 2 68 - 3 - Peak 1123 from nnoeabs.peaks (1.84, 9.17, 123.84 ppm; 4.77 A): 2 out of 13 assignments used, quality = 0.99: * HG3 GLU 73 + H GLU 73 OK 92 100 - 92 - 5.1=81, 4.9/346=22...(6) HG2 GLU 73 + H GLU 73 OK 92 100 - 92 - 5.1=81, 4.9/346=22...(6) HG12 ILE 22 - H GLU 73 OK 11 99 - 12 - 2.9/1121=3, 3910/3.0=2...(5) HG3 ARG 53 - H GLU 73 lone 9 96 - 9 - ~6082=2, 3910/3.0=2, 3916/4.1=2 HB3 ARG 57 - H GLU 73 poor 8 65 - 12 - 6076/3.0=2, ~6082=2...(5) HG LEU 41 - H GLU 73 lone 7 99 - 7 - ~6008=1, 3910/3.0=1 HG2 GLU 75 - H GLU 73 lone 7 68 - 10 - 350/4.6=3, 770/4.6=2...(4) HG13 ILE 63 - H GLU 73 lone 5 85 - 6 - 3.7/345=1 HB3 GLU 28 - H GLU 73 lone 4 60 - 7 - 3.0/345=1, 1.8/1121=1, ~3909=1 HB2 GLU 69 - H GLU 73 lone 3 99 - 3 - HB3 GLN 105 - H GLU 73 lone 3 81 - 3 - 4784/4.6=1 HB3 LYS 109 - H GLU 73 lone 2 71 - 3 - HG3 PRO 68 - H GLU 73 lone 1 60 - 1 - Peak 1124 from nnoeabs.peaks (8.35, 8.35, 111.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 74 + H SER 74 OK 100 100 - 100 H GLY 125 + H GLY 125 OK 47 47 - 100 Peak 1125 from nnoeabs.peaks (3.95, 8.35, 111.98 ppm; 3.28 A): 3 out of 14 assignments used, quality = 1.00: * HA SER 74 + H SER 74 OK 100 100 - 100 - 2.9=100 HA2 GLY 125 + H GLY 125 OK 68 68 - 100 - 3.0=100 HA3 GLY 125 + H GLY 125 OK 68 68 - 100 - 3.0=100 HA SER 74 - H GLY 125 poor 7 69 - 11 - 3936=2, 8109/4.7=2...(4) HA2 GLY 125 - H SER 74 lone 6 100 - 6 - HA3 GLY 125 - H SER 74 lone 6 100 - 6 - HA THR 23 - H SER 74 lone 2 93 - 2 - HA2 GLY 25 - H SER 74 lone 2 93 - 2 - HA2 GLY 25 - H GLY 125 lone 2 59 - 3 - HA ARG 85 - H GLY 125 lone 1 55 - 3 - HA ALA 43 - H GLY 125 lone 1 36 - 3 - 6035/4.7=1 HA ARG 85 - H SER 74 lone 1 89 - 1 - HA THR 23 - H GLY 125 lone 1 59 - 2 - HA ALA 43 - H SER 74 lone 1 63 - 1 - Peak 1126 from nnoeabs.peaks (3.78, 8.35, 111.98 ppm; 3.01 A): 3 out of 24 assignments used, quality = 0.92: * HB2 SER 74 + H SER 74 OK 67 100 - 67 - 4.0=43, 1.8/3944=12...(9) HB3 SER 74 + H SER 74 OK 67 100 - 67 - 4.0=43, 1.8/3944=12...(9) HB2 SER 72 + H SER 74 OK 29 99 - 29 - 1.8/7281=10, 4.5/346=9...(6) HB2 SER 74 - H GLY 125 lone 4 69 - 6 - 3.0/3936=1, 3940=1 HB3 SER 74 - H GLY 125 lone 4 69 - 6 - 3.0/3936=1, 3944=1 HA2 GLY 61 - H SER 74 lone 3 96 - 3 - HA GLU 38 - H SER 74 lone 3 73 - 4 - HD2 PRO 30 - H SER 74 lone 2 90 - 3 - HB2 SER 72 - H GLY 125 lone 2 67 - 3 - HA CYS 87 - H GLY 125 lone 2 41 - 4 - HA CYS 87 - H SER 74 lone 1 71 - 2 - HB2 SER 90 - H SER 74 lone 1 89 - 1 - HA2 GLY 61 - H GLY 125 lone 1 62 - 2 - HA3 GLY 39 - H SER 74 lone 1 68 - 2 - HB2 SER 90 - H GLY 125 lone 1 55 - 1 - HB3 SER 13 - H SER 74 lone 1 87 - 1 - HA2 GLY 88 - H GLY 125 lone 1 34 - 2 - HA2 GLY 88 - H SER 74 lone 1 60 - 1 - HB3 SER 35 - H SER 74 lone 0 73 - 1 - HA GLU 38 - H GLY 125 lone 0 43 - 1 - HD2 PRO 30 - H GLY 125 lone 0 56 - 0 - HB3 SER 13 - H GLY 125 lone 0 53 - 0 - HA3 GLY 39 - H GLY 125 lone 0 39 - 0 - HB3 SER 35 - H GLY 125 lone 0 43 - 0 - Peak 1127 from nnoeabs.peaks (3.78, 8.35, 111.98 ppm; 3.01 A): 3 out of 22 assignments used, quality = 0.92: * HB3 SER 74 + H SER 74 OK 67 100 - 67 - 4.0=43, 1.8/3944=12...(9) HB2 SER 74 + H SER 74 OK 67 100 - 67 - 4.0=43, 1.8/3944=12...(9) HB2 SER 72 + H SER 74 OK 29 100 - 29 - 1.8/7281=10, 4.5/346=9...(6) HB3 SER 74 - H GLY 125 lone 4 69 - 6 - 3.0/3936=1, 3944=1 HB2 SER 74 - H GLY 125 lone 4 69 - 6 - 3.0/3936=1, 3940=1 HA GLU 38 - H SER 74 lone 3 76 - 4 - HA2 GLY 61 - H SER 74 lone 3 95 - 3 - HD2 PRO 30 - H SER 74 lone 2 92 - 3 - HB2 SER 72 - H GLY 125 lone 2 67 - 3 - HA CYS 87 - H GLY 125 lone 2 43 - 4 - HA CYS 87 - H SER 74 lone 2 73 - 2 - HB2 SER 90 - H SER 74 lone 1 87 - 1 - HA2 GLY 61 - H GLY 125 lone 1 60 - 2 - HA3 GLY 39 - H SER 74 lone 1 65 - 2 - HB3 SER 13 - H SER 74 lone 1 89 - 1 - HB2 SER 90 - H GLY 125 lone 1 53 - 1 - HB3 SER 35 - H SER 74 lone 0 76 - 1 - HA GLU 38 - H GLY 125 lone 0 45 - 1 - HD2 PRO 30 - H GLY 125 lone 0 58 - 0 - HB3 SER 13 - H GLY 125 lone 0 55 - 0 - HA3 GLY 39 - H GLY 125 lone 0 38 - 0 - HB3 SER 35 - H GLY 125 lone 0 45 - 0 - Peak 1128 from nnoeabs.peaks (7.40, 7.40, 122.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 75 + H GLU 75 OK 100 100 - 100 Peak 1129 from nnoeabs.peaks (3.58, 7.40, 122.83 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 75 + H GLU 75 OK 100 100 - 100 - 2.9=100 HD2 PRO 70 - H GLU 75 OK 31 68 - 46 - 3.0/7304=10, 2.3/7273=8...(16) HA2 GLY 39 - H GLU 75 OK 14 85 - 17 - ~6093=2, 3961/4.0=2...(7) HA2 GLY 48 - H GLU 75 OK 12 100 - 12 - 3.6/6910=2, 3961/4.0=2...(5) HA LEU 111 - H GLU 75 poor 8 78 - 10 - 6218/4.6=2, 3961/4.0=1 HA LEU 51 - H GLU 75 poor 7 71 - 10 - 3.6/1478=2, 8425/5.1=1...(5) Peak 1130 from nnoeabs.peaks (1.78, 7.40, 122.83 ppm; 3.46 A): 7 out of 15 assignments used, quality = 0.94: * HB2 GLU 75 + H GLU 75 OK 81 100 - 81 - 4.0=65, 1.8/1131=14...(7) HB2 LYS 32 + H GLU 75 OK 22 97 - 23 - 2495=4, 1.8/2505=3...(9) HB2 PRO 37 + H GLU 75 OK 20 97 - 21 - 3.9/1645=3, 3950/2.9=3...(9) HG3 ARG 71 + H GLU 75 OK 18 85 - 22 - 5.0/8336=11, 4.0/5701=2...(6) HG3 PRO 30 + H GLU 75 OK 18 96 - 18 - 2.3/7304=4, 2.3/1643=3...(4) HB2 LEU 117 + H GLU 75 OK 11 100 - 11 - 3950/2.9=2, 1.8/7305=2...(5) HB VAL 66 + H GLU 75 OK 11 63 - 18 - 2.1/1133=6, 2.1/7198=4...(7) HG LEU 117 - H GLU 75 poor 10 95 - 11 - 2.1/6912=2, 3.0/7305=1...(4) HB2 LEU 45 - H GLU 75 lone 5 78 - 7 - 1.8/1131=2 HG2 GLN 42 - H GLU 75 lone 5 90 - 5 - HB3 GLU 56 - H GLU 75 lone 5 89 - 5 - HB2 PRO 60 - H GLU 75 lone 3 63 - 5 - HB3 LYS 46 - H GLU 75 lone 3 73 - 4 - HD3 LYS 109 - H GLU 75 lone 3 97 - 3 - HD2 LYS 109 - H GLU 75 lone 2 95 - 3 - Peak 1131 from nnoeabs.peaks (1.45, 7.40, 122.83 ppm; 3.91 A): 1 out of 15 assignments used, quality = 0.97: * HB3 GLU 75 + H GLU 75 OK 97 100 - 97 - 4.0=94, 1.8/1130=16...(7) HG3 ARG 57 - H GLU 75 OK 15 89 - 17 - 3.0/1132=3, 3951/2.9=3...(8) HG3 LYS 31 - H GLU 75 OK 15 95 - 16 - 4.7/1645=3, 2.9/5519=2...(6) HB3 LEU 101 - H GLU 75 OK 14 97 - 14 - 1.8/7304=2, 3951/2.9=2...(6) HB3 LEU 45 - H GLU 75 OK 11 100 - 11 - 3951/2.9=2, 3957/4.0=2...(4) QB ALA 14 - H GLU 75 lone 9 92 - 10 - 6307/4.0=2, 3951/2.9=1 HD3 LYS 65 - H GLU 75 lone 8 99 - 8 - 3951/2.9=2, 3957/4.0=1...(4) HD2 LYS 65 - H GLU 75 lone 8 99 - 8 - 3951/2.9=2, 3957/4.0=1...(4) HD2 LYS 46 - H GLU 75 lone 7 99 - 7 - 3951/2.9=1, 3957/4.0=1 HG LEU 24 - H GLU 75 lone 6 100 - 6 - 3951/2.9=1 HG2 LYS 119 - H GLU 75 lone 5 97 - 5 - HB3 LEU 91 - H GLU 75 lone 4 81 - 5 - HB2 LEU 93 - H GLU 75 lone 4 92 - 4 - QB ALA 89 - H GLU 75 lone 4 97 - 4 - QB ALA 98 - H GLU 75 lone 3 65 - 4 - Peak 1132 from nnoeabs.peaks (1.81, 7.40, 122.83 ppm; 3.35 A): 6 out of 14 assignments used, quality = 0.77: * HG2 GLU 75 + H GLU 75 OK 49 100 - 49 - 5.1=28, 1.8/3972=12...(7) HG2 GLU 73 + H GLU 75 OK 17 71 - 25 - 4.9/352=9, 4.1/1643=4...(8) HG3 GLU 73 + H GLU 75 OK 17 68 - 25 - 4.9/352=9, 4.1/1643=4...(8) HB3 ARG 57 + H GLU 75 OK 16 100 - 16 - 3952/2.9=2, 3964/4.0=2...(7) HB2 LYS 32 + H GLU 75 OK 13 65 - 20 - 1.8/2505=3, 2495=2...(9) HB2 PRO 37 + H GLU 75 OK 11 65 - 18 - 3.9/1645=3, 2.3/7307=2...(7) HB2 GLU 69 - H GLU 75 lone 8 83 - 10 - 4.8/1129=2 HB2 PRO 60 - H GLU 75 lone 8 97 - 8 - 8415/8336=1, 3952/2.9=1 HB3 GLN 105 - H GLU 75 lone 6 100 - 6 - 3952/2.9=1 HG13 ILE 63 - H GLU 75 lone 6 99 - 6 - HB3 GLU 56 - H GLU 75 lone 4 81 - 5 - HG3 ARG 53 - H GLU 75 lone 3 93 - 4 - HG LEU 41 - H GLU 75 lone 3 85 - 3 - HB3 ARG 92 - H GLU 75 lone 2 99 - 2 - Peak 1133 from nnoeabs.peaks (0.70, 7.40, 122.83 ppm; 3.76 A): 5 out of 5 assignments used, quality = 0.90: * HG3 GLU 75 + H GLU 75 OK 65 100 - 65 - 5.1=40, 1.8/1132=13...(9) QD1 LEU 77 + H GLU 75 OK 35 93 - 37 - 7298/3.6=11, 7297/4.7=6...(10) QG1 VAL 66 + H GLU 75 OK 33 99 - 34 - 7203=6, 2.1/7198=5...(11) QD2 LEU 54 + H GLU 75 OK 22 100 - 22 - 3953/2.9=4, 4.0/1643=3...(8) QD1 LEU 114 + H GLU 75 OK 12 81 - 14 - 6992/2.9=3, 3965/4.0=2...(6) Peak 1134 from nnoeabs.peaks (7.56, 7.56, 117.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H CYS 76 + H CYS 76 OK 100 100 - 100 H SER 113 + H SER 113 OK 80 80 - 100 Peak 1135 from nnoeabs.peaks (4.36, 7.56, 117.77 ppm; 3.44 A): 1 out of 18 assignments used, quality = 1.00: * HA CYS 76 + H CYS 76 OK 100 100 - 100 - 2.9=100 HA CYS 76 - H SER 113 OK 23 92 - 25 - 3978=6, 6232/3.0=5...(7) HB THR 116 - H SER 113 OK 19 81 - 23 - 6232/3.0=12, 3.8/572=5...(6) HA ASP 100 - H CYS 76 OK 12 99 - 13 - 3987/4.0=2, 3983/4.0=2...(5) HA PHE 40 - H CYS 76 poor 9 85 - 10 - 3.0/1479=2, 3987/4.0=1...(4) HA GLN 105 - H CYS 76 poor 8 78 - 11 - 2.9/1649=2, ~6099=1, 3.0/360=1 HB THR 17 - H CYS 76 lone 6 60 - 10 - 2.1/6344=4, 3.0/6343=3 HB THR 116 - H CYS 76 lone 5 93 - 6 - HB THR 17 - H SER 113 lone 4 50 - 8 - 2.1/6344=3, 3.0/6343=2 HA SER 35 - H CYS 76 lone 4 85 - 5 - HA MET 11 - H CYS 76 lone 4 98 - 4 - HA LEU 93 - H SER 113 lone 4 59 - 6 - 6232/3.0=2, 3.8/7930=1 HA PHE 40 - H SER 113 lone 3 73 - 4 - 6017/4.6=1 HA ASP 100 - H SER 113 lone 2 90 - 3 - HA LEU 93 - H CYS 76 lone 2 71 - 3 - HA MET 11 - H SER 113 lone 2 88 - 2 - HA GLN 105 - H SER 113 lone 2 66 - 3 - HA SER 35 - H SER 113 lone 1 73 - 1 - Peak 1136 from nnoeabs.peaks (2.82, 7.56, 117.77 ppm; 3.62 A): 7 out of 18 assignments used, quality = 0.94: * HB2 CYS 76 + H CYS 76 OK 83 100 - 83 - 4.0=72, 1.8/3986=20...(7) HB2 ASN 79 + H CYS 76 OK 26 73 - 35 - ~6104=5, 3.5/356=5...(14) HB3 TYR 67 + H CYS 76 OK 17 83 - 21 - 7312/4.3=4, 7317/4.3=3...(9) HB2 TYR 67 + H CYS 76 OK 17 83 - 21 - 7312/4.3=4, 7317/4.3=3...(9) HB2 CYS 76 + H SER 113 OK 17 92 - 18 - 3.0/3978=4, 1.8/3986=4...(5) HB3 PHE 107 + H CYS 76 OK 11 71 - 15 - 1.8/1137=2, ~3981=2...(8) HB2 ASN 99 + H CYS 76 OK 10 78 - 13 - 3988/4.0=3, 3980/2.9=2...(7) HB2 ASN 79 - H SER 113 lone 5 62 - 8 - 4.5/1762=2, 1.8/574=1 HB2 ASP 36 - H CYS 76 lone 4 78 - 6 - 364/4.6=1 HB3 TYR 67 - H SER 113 lone 2 71 - 3 - HB2 TYR 67 - H SER 113 lone 2 71 - 3 - HB2 ASN 108 - H CYS 76 lone 2 71 - 3 - HB2 ASP 97 - H CYS 76 lone 1 63 - 2 - HB3 PHE 107 - H SER 113 lone 1 59 - 2 - HB2 ASP 36 - H SER 113 lone 1 66 - 2 - HB2 ASN 108 - H SER 113 lone 1 59 - 2 - HB2 ASN 99 - H SER 113 lone 1 66 - 2 - HB2 ASP 97 - H SER 113 lone 0 52 - 1 - Peak 1137 from nnoeabs.peaks (3.11, 7.56, 117.77 ppm; 3.83 A): 2 out of 16 assignments used, quality = 0.92: * HB3 CYS 76 + H CYS 76 OK 90 100 - 90 - 4.0=86, 1.8/1136=16...(4) HB3 CYS 52 + H CYS 76 OK 23 100 - 23 - 3117=6, 1.8/3113=4...(7) HB3 CYS 76 - H SER 113 OK 18 92 - 20 - 3986=5, 3.0/3978=5...(5) HB2 PHE 107 - H CYS 76 OK 16 100 - 16 - 3981/2.9=4, 3985/4.0=3...(6) HD3 ARG 57 - H SER 113 OK 13 87 - 15 - 2.9/7926=3, 3339=2...(7) HD3 ARG 57 - H CYS 76 OK 12 97 - 12 - 3.5/360=2, 3981/2.9=2...(6) HB3 CYS 52 - H SER 113 OK 12 91 - 13 - 3117=3, 1.8/3113=2...(4) HB3 ASP 100 - H CYS 76 OK 11 100 - 11 - 3981/2.9=3, 3985/4.0=2...(4) HD3 ARG 53 - H CYS 76 lone 6 85 - 7 - 6.3/231=1 HD3 ARG 53 - H SER 113 lone 5 73 - 7 - 3170/4.5=1, 3170/4.5=1 HD3 ARG 81 - H CYS 76 lone 5 90 - 5 - HB3 ASP 100 - H SER 113 lone 3 91 - 3 - HB2 PHE 107 - H SER 113 lone 3 91 - 3 - HD3 ARG 81 - H SER 113 lone 2 78 - 3 - HB3 HIS 10 - H CYS 76 lone 1 60 - 1 - HB3 HIS 10 - H SER 113 lone 0 50 - 1 - Peak 1138 from nnoeabs.peaks (8.51, 8.51, 117.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 77 + H LEU 77 OK 100 100 - 100 Peak 1139 from nnoeabs.peaks (3.84, 8.51, 117.70 ppm; 3.79 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 77 + H LEU 77 OK 100 100 - 100 - 3.0=100 HA GLU 15 - H LEU 77 OK 16 96 - 17 - 6319/4.0=4, 4019/4.7=2...(7) HA THR 19 - H LEU 77 OK 15 100 - 15 - 4019/4.7=2, 3998/4.0=2...(7) HA LYS 119 - H LEU 77 OK 13 100 - 13 - 4019/4.7=1, 3.0/7356=1 HA THR 116 - H LEU 77 OK 11 99 - 11 - 3.0/363=1 HA THR 33 - H LEU 77 OK 10 76 - 13 - 2.9/1480=2, 4019/4.7=1...(6) HA3 GLY 104 - H LEU 77 lone 8 87 - 10 - 3.6/1480=2, 5849/4.5=1 HB2 SER 35 - H LEU 77 lone 7 85 - 8 - 1.8/1653=2, 3.0/363=1 HB THR 33 - H LEU 77 lone 6 73 - 8 - 4.0/1480=2, 3.0/1890=1 HB3 SER 29 - H LEU 77 lone 4 71 - 5 - 4.8/1653=1, 3.9/105=1 HB2 SER 29 - H LEU 77 lone 4 68 - 5 - 4.8/1653=1, 3.9/105=1 HA3 GLY 88 - H LEU 77 lone 3 73 - 3 - HA2 GLY 88 - H LEU 77 lone 2 63 - 3 - Peak 1140 from nnoeabs.peaks (1.19, 8.51, 117.70 ppm; 3.43 A): 5 out of 5 assignments used, quality = 0.92: * HB2 LEU 77 + H LEU 77 OK 85 100 - 85 - 4.0=61, 1.8/1141=19...(10) QG2 VAL 18 + H LEU 77 OK 18 92 - 19 - 3992/3.0=4, 368/4.5=2...(7) HG2 LYS 32 + H LEU 77 OK 15 71 - 22 - 1.8/1142=3, 3992/3.0=3...(11) HB3 LEU 111 + H LEU 77 OK 13 76 - 17 - 3992/3.0=3, ~7343=3...(8) HB3 LEU 24 + H LEU 77 OK 11 63 - 17 - 3.9/1480=3, 3.1/1144=2...(9) Peak 1141 from nnoeabs.peaks (1.71, 8.51, 117.70 ppm; 3.51 A): 3 out of 6 assignments used, quality = 0.93: * HB3 LEU 77 + H LEU 77 OK 87 100 - 87 - 4.0=65, 1.8/1140=22...(10) HB2 LYS 31 + H LEU 77 OK 27 93 - 29 - 3993/3.0=4, 1.8/2415=3...(12) HB3 LEU 55 + H LEU 77 OK 27 99 - 27 - 3993/3.0=5, 4000/4.0=4...(8) HB3 ARG 71 - H LEU 77 lone 5 87 - 6 - HG3 GLN 42 - H LEU 77 lone 5 68 - 7 - 369/4.5=1, 5.2/1480=1 HB2 LEU 91 - H LEU 77 lone 5 73 - 6 - ~7343=1 Peak 1142 from nnoeabs.peaks (1.23, 8.51, 117.70 ppm; 3.29 A): 5 out of 8 assignments used, quality = 0.87: * HG LEU 77 + H LEU 77 OK 75 100 - 75 - 5.0=29, 2.1/1143=16...(13) HB3 LEU 24 + H LEU 77 OK 18 92 - 20 - 3994/3.0=3, 370/4.5=3...(9) HG2 LYS 32 + H LEU 77 OK 16 87 - 19 - 3994/3.0=3, 5.0/1651=2...(8) HG3 LYS 32 + H LEU 77 OK 14 65 - 21 - 1.8/1140=4, 5.0/1651=2...(9) HB3 LEU 111 + H LEU 77 OK 10 83 - 13 - ~7343=2, 3994/3.0=2...(6) QG2 VAL 18 - H LEU 77 poor 7 63 - 11 - 6361/3.0=2, ~5958=1 HG13 ILE 124 - H LEU 77 lone 7 99 - 7 - 370/4.5=1 QG2 THR 19 - H LEU 77 lone 6 73 - 8 - 3.2/1139=2, 2015/3.0=1 Peak 1143 from nnoeabs.peaks (0.57, 8.51, 117.70 ppm; 3.86 A): 4 out of 4 assignments used, quality = 0.94: * QD2 LEU 77 + H LEU 77 OK 89 100 - 89 - 4.7=56, 3995/3.0=21...(11) QG1 VAL 50 + H LEU 77 OK 27 99 - 27 - 3995/3.0=6, 4002/4.0=4...(8) HG12 ILE 34 + H LEU 77 OK 15 78 - 19 - 3995/3.0=4, 4002/4.0=3...(8) QD2 LEU 45 + H LEU 77 OK 13 87 - 14 - 3995/3.0=3, 4002/4.0=2...(7) Peak 1144 from nnoeabs.peaks (0.69, 8.51, 117.70 ppm; 3.73 A): 5 out of 5 assignments used, quality = 0.94: * QD1 LEU 77 + H LEU 77 OK 87 100 - 87 - 4.7=51, 2.1/1143=21...(12) HG3 GLU 75 + H LEU 77 OK 25 93 - 27 - 5.1/1651=5, 3.6/6092=5...(10) QG1 VAL 66 + H LEU 77 OK 18 99 - 18 - 3996/3.0=2, 372/4.5=2...(8) QD2 LEU 54 + H LEU 77 OK 17 87 - 20 - 3996/3.0=3, 4025=2...(9) QD2 LEU 24 + H LEU 77 OK 16 68 - 24 - 3.1/1142=4, 3996/3.0=3...(10) Peak 1145 from nnoeabs.peaks (8.07, 8.07, 113.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 78 + H SER 78 OK 100 100 - 100 Peak 1146 from nnoeabs.peaks (4.17, 8.07, 113.93 ppm; 3.35 A): 1 out of 12 assignments used, quality = 1.00: * HA SER 78 + H SER 78 OK 100 100 - 100 - 2.9=100 HB2 SER 113 - H SER 78 OK 19 92 - 20 - 1.8/1147=5, 4.0/1656=4...(7) HA PHE 83 - H SER 78 OK 13 83 - 16 - 3.0/1481=3, 4190/4.6=2...(6) HA PRO 37 - H SER 78 OK 11 71 - 15 - 3.6/366=3, 6675/3.6=3...(5) HA GLU 28 - H SER 78 lone 7 97 - 7 - 3.0/366=2 HA ILE 124 - H SER 78 lone 6 65 - 9 - 4.0/370=1, 4032=1 HA GLU 56 - H SER 78 lone 4 100 - 4 - HA ASN 108 - H SER 78 lone 3 71 - 4 - HA PRO 68 - H SER 78 lone 3 85 - 3 - HB3 SER 72 - H SER 78 lone 2 60 - 3 - HA ARG 92 - H SER 78 lone 1 87 - 1 - HA3 GLY 61 - H SER 78 lone 0 68 - 1 - Peak 1147 from nnoeabs.peaks (4.30, 8.07, 113.93 ppm; 3.57 A): 4 out of 8 assignments used, quality = 0.94: * HB2 SER 78 + H SER 78 OK 89 100 - 89 - 3.9=79, 1.8/4040=25...(7) HB3 SER 113 + H SER 78 OK 21 100 - 21 - 1.8/1146=4, 4.0/1656=4...(7) HA LEU 114 + H SER 78 OK 16 100 - 16 - 3.6/1659=4, 375/4.6=2...(5) HA LYS 65 + H SER 78 OK 15 98 - 15 - 3.0/7359=3, 4034/2.9=2...(6) HA GLN 103 - H SER 78 poor 7 71 - 10 - 3.6/1507=2, 7766=2, 2.9/7765=2 HA GLU 94 - H SER 78 lone 2 60 - 3 - HB THR 17 - H SER 78 lone 1 60 - 2 - HA ALA 122 - H SER 78 lone 1 60 - 1 - Peak 1148 from nnoeabs.peaks (4.13, 8.07, 113.93 ppm; 3.35 A): 6 out of 12 assignments used, quality = 0.91: * HB3 SER 78 + H SER 78 OK 81 100 - 81 - 3.9=65, 4041/2.9=21...(6) HA PRO 37 + H SER 78 OK 16 90 - 18 - 6675/3.6=3, 6672/4.3=3...(6) HA LEU 24 + H SER 78 OK 14 60 - 24 - 3.0/370=4, 3.6/1481=4...(8) HA3 GLY 25 + H SER 78 OK 13 95 - 14 - 3.0/1481=4, 1.8/1658=3...(4) HB2 SER 113 + H SER 78 OK 13 68 - 19 - 1.8/1147=5, 4.0/1656=4...(6) HA PHE 83 + H SER 78 OK 13 81 - 16 - 3.0/1481=3, 4190/4.6=2...(6) HA ILE 124 - H SER 78 lone 7 93 - 8 - 4.0/370=1 HA ALA 98 - H SER 78 lone 7 97 - 7 - 6201/4.3=2 HA ILE 63 - H SER 78 lone 5 97 - 5 - HA ARG 57 - H SER 78 lone 5 95 - 5 - HA ASN 108 - H SER 78 lone 5 90 - 5 - HB3 SER 72 - H SER 78 lone 4 96 - 4 - Peak 1149 from nnoeabs.peaks (7.84, 7.84, 119.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 79 + H ASN 79 OK 100 100 - 100 Peak 1150 from nnoeabs.peaks (4.55, 7.84, 119.43 ppm; 3.47 A): 1 out of 6 assignments used, quality = 1.00: * HA ASN 79 + H ASN 79 OK 100 100 - 100 - 3.0=100 HA GLU 82 - H ASN 79 OK 44 100 - 44 - 2.9/1485=9, 5752=7...(17) HA THR 95 - H ASN 79 OK 36 100 - 36 - 3.0/1152=5, 4544/3.9=5...(14) HA ASN 99 - H ASN 79 OK 28 97 - 29 - 3.0/4630=4, 3.0/4624=4...(12) HA LEU 27 - H ASN 79 OK 14 97 - 15 - 3.0/6540=2, 3.6/1661=2...(4) HB THR 121 - H ASN 79 lone 3 93 - 3 - Peak 1151 from nnoeabs.peaks (2.84, 7.84, 119.43 ppm; 3.60 A): 3 out of 10 assignments used, quality = 0.96: * HB2 ASN 79 + H ASN 79 OK 88 100 - 88 - 3.9=76, 1.8/1152=20...(7) HB3 TYR 67 + H ASN 79 OK 41 100 - 41 - 2.6/7378=9, 4.5/7379=7...(11) HB2 TYR 67 + H ASN 79 OK 41 100 - 41 - 2.6/7378=9, 4.5/7379=7...(11) HB2 ASN 99 - H ASN 79 OK 39 100 - 39 - 4624=8, 1.8/4630=6...(14) HB2 CYS 76 - H ASN 79 OK 17 73 - 23 - 3.0/6100=12, 4.7/1661=3...(5) HB3 PHE 107 - H ASN 79 OK 11 100 - 11 - 2.4/7378=2, 4624=2, 4046/3.0=1 HB2 ASP 36 - H ASN 79 lone 4 100 - 4 - HE3 LYS 119 - H ASN 79 lone 4 85 - 4 - HG CYS 52 - H ASN 79 lone 3 98 - 3 - HE2 LYS 119 - H ASN 79 lone 3 83 - 4 - Peak 1152 from nnoeabs.peaks (3.88, 7.84, 119.43 ppm; 3.49 A): 2 out of 14 assignments used, quality = 0.87: * HB3 ASN 79 + H ASN 79 OK 82 100 - 82 - 3.9=69, 1.8/1151=12...(7) HB THR 95 + H ASN 79 OK 30 99 - 30 - 4547/3.0=7, 2.1/8380=5...(10) HA THR 33 - H ASN 79 lone 7 76 - 10 - 2.9/1154=3, 4047/3.0=1, ~4049=1 HA ARG 53 - H ASN 79 lone 6 100 - 6 - 6064/5.6=2, 4047/3.0=1 HD2 PRO 68 - H ASN 79 lone 6 60 - 10 - 4.8/1151=2, 4.8/1151=2 HB THR 33 - H ASN 79 lone 5 78 - 7 - 4.0/1154=2 HB3 SER 112 - H ASN 79 lone 5 99 - 5 - 380/4.7=2 HB2 SER 112 - H ASN 79 lone 5 98 - 5 - 380/4.7=2 HA3 GLY 104 - H ASN 79 lone 3 63 - 5 - 3.6/373=2 HB2 SER 13 - H ASN 79 lone 3 95 - 3 - HB2 SER 35 - H ASN 79 lone 2 65 - 3 - HA ILE 34 - H ASN 79 lone 2 83 - 2 - HA2 GLY 2 - H ASN 79 lone 1 83 - 1 - HA3 GLY 2 - H ASN 79 lone 1 83 - 1 - Peak 1153 from nnoeabs.peaks (7.41, 7.84, 119.43 ppm; 4.29 A): 6 out of 6 assignments used, quality = 0.94: * HD21 ASN 79 + H ASN 79 OK 77 100 - 77 - 5.6=45, 1.7/1154=20...(8) H PHE 96 + H ASN 79 OK 38 95 - 40 - 472/3.0=7, 4.1/8380=7...(11) H GLU 75 + H ASN 79 OK 35 97 - 36 - 2.9/6098=11, 4048/3.0=5...(9) H LYS 32 + H ASN 79 OK 24 99 - 24 - 4060/3.9=3, 4048/3.0=3...(9) HE21 GLN 105 + H ASN 79 OK 10 81 - 13 - 4.5/8674=3, 5.9/1662=2 H SER 72 + H ASN 79 OK 10 95 - 11 - 381/4.7=2, 7287/6098=1...(4) Peak 1154 from nnoeabs.peaks (8.11, 7.84, 119.43 ppm; 3.62 A): 5 out of 6 assignments used, quality = 0.79: * HD22 ASN 79 + H ASN 79 OK 56 100 - 56 - 5.6=27, 3.5/1152=13...(5) H GLY 39 + H ASN 79 OK 22 97 - 23 - 2.9/1663=4, 4049/3.0=3...(9) H THR 33 + H ASN 79 OK 16 99 - 16 - 128/5.6=3, 4049/3.0=2...(6) H LEU 24 + H ASN 79 OK 16 85 - 18 - 1439=5, 3.0/5487=2...(6) H GLN 105 + H ASN 79 OK 12 85 - 14 - 2.9/1662=3, 4.0/8674=2...(4) H LEU 55 - H ASN 79 lone 7 93 - 7 - 4061/3.9=1, 4049/3.0=1 Peak 1155 from nnoeabs.peaks (8.37, 8.37, 119.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + H ILE 80 OK 100 100 - 100 Peak 1156 from nnoeabs.peaks (3.64, 8.37, 119.47 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 80 + H ILE 80 OK 100 100 - 100 - 3.0=100 HA VAL 115 + H ILE 80 OK 55 85 - 65 - 5098=15, 3.0/5103=11...(19) HA LYS 46 - H ILE 80 OK 24 100 - 24 - 8585/4.0=5, 8585/4.9=4...(10) HA LEU 41 - H ILE 80 OK 20 99 - 20 - 3.6/1666=3, 4077/4.0=2...(10) HA LEU 111 - H ILE 80 OK 15 60 - 25 - 3.6/7925=6, 4.8/6226=5...(4) HD2 PRO 70 - H ILE 80 OK 12 71 - 17 - 8323/4.5=3, 4070/3.9=2...(5) Peak 1157 from nnoeabs.peaks (1.92, 8.37, 119.47 ppm; 3.44 A): 2 out of 18 assignments used, quality = 0.92: * HB ILE 80 + H ILE 80 OK 87 100 - 87 - 3.9=67, 4.4/1483=16...(12) HB2 ARG 81 + H ILE 80 OK 36 93 - 39 - 4.0/1483=19, 4.3/1669=10...(8) HB3 GLU 73 - H ILE 80 OK 19 97 - 20 - 4112/4.7=3, 1.8/1159=3...(8) HB2 LEU 84 - H ILE 80 OK 15 85 - 18 - ~7426=3, 4064/3.0=3...(7) HB ILE 22 - H ILE 80 OK 11 95 - 12 - 6432/4.0=2, 6432/4.9=2 HG LEU 58 - H ILE 80 OK 11 97 - 11 - 4064/3.0=2, 4078/4.0=2...(5) HB3 LYS 119 - H ILE 80 poor 10 81 - 12 - 3.0/1667=2, 8456/4.0=2...(4) HB3 GLU 69 - H ILE 80 poor 9 81 - 11 - 3.0/1159=2, 3775/5.1=1...(4) HB2 LEU 21 - H ILE 80 lone 9 100 - 9 - 4078/4.0=2, 4064/3.0=1 HB3 PRO 30 - H ILE 80 lone 6 71 - 8 - 1.8/1159=1, 8456/4.0=1 HB2 GLU 28 - H ILE 80 lone 4 87 - 5 - 3.0/1665=1 HB3 GLU 64 - H ILE 80 lone 4 95 - 4 - HB2 GLU 64 - H ILE 80 lone 4 92 - 4 - HB2 GLU 38 - H ILE 80 lone 3 85 - 4 - 4.4/1666=1 HB2 LYS 109 - H ILE 80 lone 3 92 - 3 - HB3 MET 11 - H ILE 80 lone 3 99 - 3 - HB2 ARG 85 - H ILE 80 lone 2 71 - 3 - HB3 ARG 85 - H ILE 80 lone 2 71 - 3 - Peak 1158 from nnoeabs.peaks (1.27, 8.37, 119.47 ppm; 3.36 A): 2 out of 7 assignments used, quality = 0.96: * QG2 ILE 80 + H ILE 80 OK 84 100 - 84 - 4.0=61, 4.4/1483=16...(12) QD1 ILE 80 + H ILE 80 OK 72 100 - 72 - 4.9=32, 2.1/1159=14...(11) QG2 THR 116 - H ILE 80 OK 26 100 - 26 - 4.1/587=5, 3.2/1667=4...(7) QG2 THR 19 - H ILE 80 OK 19 97 - 20 - 2.1/7407=3, 3.2/1667=3...(7) HG3 LYS 32 - H ILE 80 lone 8 99 - 9 - 5.0/381=1, 7371/4.7=1 HG LEU 54 - H ILE 80 lone 7 92 - 8 - 4075/3.9=1, 4068/3.0=1 HG13 ILE 124 - H ILE 80 lone 5 63 - 8 - 2.1/1160=2 Peak 1159 from nnoeabs.peaks (2.16, 8.37, 119.47 ppm; 3.58 A): 5 out of 7 assignments used, quality = 0.91: * HG12 ILE 80 + H ILE 80 OK 78 100 - 78 - 5.1=34, 2.1/4097=17...(14) HB VAL 115 + H ILE 80 OK 37 68 - 54 - 2.1/5113=13, 5103=12...(14) HG2 GLU 69 + H ILE 80 OK 15 93 - 16 - 4066/3.0=3, 4080/4.0=2...(8) HB2 GLU 73 + H ILE 80 OK 13 65 - 20 - 1.8/1157=3, 4066/3.0=2...(12) HB3 GLU 15 + H ILE 80 OK 12 68 - 18 - 4.6/1669=3, 3.0/1667=3...(9) HB VAL 49 - H ILE 80 poor 9 73 - 13 - 2.1/1160=2, 4066/3.0=1...(7) HB2 PRO 30 - H ILE 80 poor 7 65 - 11 - 4080/4.0=1, 4066/3.0=1...(4) Peak 1160 from nnoeabs.peaks (0.87, 8.37, 119.47 ppm; 3.82 A): 6 out of 9 assignments used, quality = 0.95: * HG13 ILE 80 + H ILE 80 OK 81 100 - 81 - 5.1=41, 2.1/4097=19...(10) QD2 LEU 114 + H ILE 80 OK 46 89 - 52 - 5896=12, 3.1/5893=8...(14) QD2 LEU 41 + H ILE 80 OK 19 83 - 23 - 2806/3.0=5, ~2799=2...(10) QG1 VAL 49 + H ILE 80 OK 15 95 - 16 - 8496/4.5=2, 4067/3.0=2...(7) QD2 LEU 59 + H ILE 80 OK 13 95 - 14 - 4067/3.0=3, 4081/4.0=2...(6) QD1 ILE 124 + H ILE 80 OK 13 87 - 15 - 4081/4.0=2, 4067/3.0=2...(6) QD1 LEU 59 - H ILE 80 poor 8 65 - 12 - 4067/3.0=2, 4081/4.0=2...(6) QD2 LEU 55 - H ILE 80 lone 6 81 - 8 - QD2 LEU 126 - H ILE 80 lone 4 100 - 4 - Peak 1161 from nnoeabs.peaks (1.27, 8.37, 119.47 ppm; 3.36 A): 2 out of 7 assignments used, quality = 0.96: QG2 ILE 80 + H ILE 80 OK 84 100 - 84 - 4.0=61, 4.4/1483=16...(12) * QD1 ILE 80 + H ILE 80 OK 72 100 - 72 - 4.9=32, 2.1/1159=14...(11) QG2 THR 116 - H ILE 80 OK 26 100 - 26 - 4.1/587=5, 3.2/1667=4...(7) QG2 THR 19 - H ILE 80 OK 19 97 - 20 - 2.1/7407=3, 3.2/1667=3...(7) HG3 LYS 32 - H ILE 80 lone 8 99 - 8 - 5.0/381=1, 7371/4.7=1 HG LEU 54 - H ILE 80 lone 7 93 - 8 - 4075/3.9=1, 4068/3.0=1 HG13 ILE 124 - H ILE 80 lone 5 60 - 8 - 2.1/1160=2 Peak 1162 from nnoeabs.peaks (9.06, 9.06, 117.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + H ARG 81 OK 100 100 - 100 Peak 1163 from nnoeabs.peaks (3.99, 9.06, 117.40 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 81 + H ARG 81 OK 100 100 - 100 - 2.9=100 HA THR 62 - H ARG 81 OK 31 100 - 31 - 3.6/1484=7, 5660/4.6=4...(12) HA PHE 107 - H ARG 81 OK 28 93 - 30 - 4113/4.0=4, 3.0/1169=3...(14) HA LEU 117 - H ARG 81 OK 20 100 - 20 - 7409/4.4=4, ~5145=2...(8) HA ALA 14 - H ARG 81 lone 4 60 - 6 - 7409/4.4=1 Peak 1164 from nnoeabs.peaks (1.91, 9.06, 117.40 ppm; 3.31 A): 3 out of 17 assignments used, quality = 0.97: * HB2 ARG 81 + H ARG 81 OK 83 100 - 83 - 4.0=57, 4.3/390=16...(15) HB ILE 80 + H ARG 81 OK 69 93 - 74 - 4.4=42, 3.9/1483=17...(12) HB2 LEU 84 + H ARG 81 OK 46 100 - 47 - ~6136=7, 6135/2.9=7...(16) HG LEU 84 - H ARG 81 OK 36 83 - 43 - ~7434=5, 2.1/7431=5...(15) HB3 GLU 73 - H ARG 81 OK 25 100 - 25 - 4112=7, 4113/2.9=3...(8) HB2 LYS 119 - H ARG 81 poor 10 76 - 13 - 8457/4.4=2, 3.0/1673=2...(4) HB ILE 22 - H ARG 81 lone 9 100 - 9 - 6432/4.4=2, 6432/5744=1 HB2 GLU 28 - H ARG 81 lone 7 100 - 7 - 3.0/7437=1 HB VAL 50 - H ARG 81 lone 5 76 - 7 - 2.1/7432=3, 4.5/1484=1 HB2 LEU 21 - H ARG 81 lone 5 87 - 6 - 4078/4.4=1 HG LEU 58 - H ARG 81 lone 4 73 - 5 - 4078/4.4=1, 4064/3.6=1 HB3 GLU 64 - H ARG 81 lone 3 65 - 4 - HB2 GLU 64 - H ARG 81 lone 2 60 - 4 - HB3 MET 11 - H ARG 81 lone 2 99 - 2 - HG LEU 55 - H ARG 81 lone 2 73 - 3 - HB3 LYS 31 - H ARG 81 lone 1 76 - 2 - HB2 LYS 109 - H ARG 81 lone 1 60 - 2 - Peak 1165 from nnoeabs.peaks (2.05, 9.06, 117.40 ppm; 3.77 A): 1 out of 13 assignments used, quality = 0.96: * HB3 ARG 81 + H ARG 81 OK 96 100 - 96 - 4.0=84, 1.8/4112=29...(12) HB ILE 63 - H ARG 81 OK 32 96 - 33 - 2.1/7431=5, 4.0/1484=5...(13) HB2 GLU 56 - H ARG 81 OK 21 96 - 22 - 4120=6, 3.0/7437=4...(9) HB2 ARG 57 - H ARG 81 OK 21 83 - 25 - 4107/2.9=4, 4115/4.0=3...(12) HB2 LEU 114 - H ARG 81 poor 7 57 - 12 - 4.6/383=4, 5893/4.7=3 HG3 PRO 70 - H ARG 81 lone 7 97 - 7 - 393/4.6=2, 2.3/384=1, 3836/3.6=1 HB3 GLU 38 - H ARG 81 lone 6 99 - 6 - HG3 PRO 60 - H ARG 81 lone 5 99 - 5 - HG3 PRO 37 - H ARG 81 lone 5 100 - 4 - HG2 GLU 64 - H ARG 81 lone 4 83 - 5 - HB2 GLN 16 - H ARG 81 lone 4 65 - 6 - 4.0/1484=3 HB3 GLN 16 - H ARG 81 lone 4 63 - 6 - 4.0/1484=3 HB2 GLN 105 - H ARG 81 lone 2 71 - 3 - Peak 1166 from nnoeabs.peaks (1.58, 9.06, 117.40 ppm; 4.34 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 81 + H ARG 81 OK 94 100 - 94 - 4.9=69, 2.9/4112=29...(12) HG3 ARG 81 + H ARG 81 OK 94 100 - 94 - 4.9=69, 2.9/4112=29...(12) HG2 ARG 57 - H ARG 81 OK 28 100 - 29 - 2.9/1169=5, 4108/2.9=4...(9) HG12 ILE 63 - H ARG 81 OK 28 78 - 36 - 3.2/7431=7, 3.0/1165=5...(11) HD2 LYS 119 - H ARG 81 OK 17 90 - 19 - ~6136=2, 5.3/1673=2...(8) HD3 LYS 119 - H ARG 81 OK 17 89 - 19 - ~6136=2, 5.3/1673=2...(8) HG12 ILE 124 - H ARG 81 lone 4 63 - 7 - 4.0/8658=3 HG LEU 126 - H ARG 81 lone 3 92 - 3 - HB2 LEU 126 - H ARG 81 lone 3 78 - 3 - HB3 LEU 126 - H ARG 81 lone 3 76 - 3 - Peak 1167 from nnoeabs.peaks (1.58, 9.06, 117.40 ppm; 4.34 A): 2 out of 10 assignments used, quality = 1.00: HG2 ARG 81 + H ARG 81 OK 94 100 - 94 - 4.9=69, 2.9/4112=29...(12) * HG3 ARG 81 + H ARG 81 OK 94 100 - 94 - 4.9=69, 2.9/4112=29...(12) HG2 ARG 57 - H ARG 81 OK 28 100 - 29 - 2.9/1169=5, 4108/2.9=4...(9) HG12 ILE 63 - H ARG 81 OK 28 78 - 36 - 3.2/7431=7, 3.0/1165=5...(11) HD2 LYS 119 - H ARG 81 OK 17 90 - 19 - ~6136=2, 5.3/1673=2...(8) HD3 LYS 119 - H ARG 81 OK 17 89 - 19 - ~6136=2, 5.3/1673=2...(8) HG12 ILE 124 - H ARG 81 lone 4 63 - 7 - 4.0/8658=3 HG LEU 126 - H ARG 81 lone 3 92 - 3 - HB2 LEU 126 - H ARG 81 lone 3 78 - 3 - HB3 LEU 126 - H ARG 81 lone 3 76 - 3 - Peak 1168 from nnoeabs.peaks (3.20, 9.06, 117.40 ppm; 5.06 A): 2 out of 7 assignments used, quality = 0.98: * HD2 ARG 81 + H ARG 81 OK 95 100 - 95 - 5.9=63, 1.8/4152=34...(14) HB3 PHE 83 + H ARG 81 OK 65 99 - 66 - 4.0/1681=29, 6130/3.6=14...(14) HD3 ARG 71 - H ARG 81 OK 38 92 - 41 - 4144=7, 1.8/4144=6...(14) HD2 ARG 71 - H ARG 81 OK 33 83 - 40 - 1.8/4144=7, 4144=6...(14) HA GLN 42 - H ARG 81 OK 21 96 - 22 - 6129/3.6=5, 4110/2.9=3...(10) HD2 ARG 53 - H ARG 81 poor 8 71 - 12 - 4144=2, 4126/4.0=1...(5) HB3 TRP 20 - H ARG 81 lone 5 76 - 7 - Peak 1169 from nnoeabs.peaks (3.13, 9.06, 117.40 ppm; 5.01 A): 2 out of 9 assignments used, quality = 0.96: * HD3 ARG 81 + H ARG 81 OK 93 100 - 93 - 5.9=61, 3.5/4112=31...(10) HD3 ARG 57 + H ARG 81 OK 43 99 - 44 - 4111/2.9=7, 4119/4.0=7...(12) HB2 PHE 107 - H ARG 81 OK 32 85 - 38 - 4828/2.9=7, 3.0/1163=6...(11) HD2 ARG 92 - H ARG 81 OK 19 87 - 22 - 4152=5, 1.8/4152=4...(8) HD3 ARG 92 - H ARG 81 OK 19 85 - 22 - 4152=5, 1.8/4152=4...(8) HB3 CYS 52 - H ARG 81 lone 9 93 - 10 - 4111/2.9=1, 6952/7431=1 HB3 CYS 76 - H ARG 81 lone 5 90 - 6 - 4111/2.9=1 HB3 ASP 100 - H ARG 81 lone 5 93 - 5 - 4111/2.9=1 HB2 HIS 10 - H ARG 81 lone 2 78 - 2 - Peak 1170 from nnoeabs.peaks (8.45, 8.45, 124.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 82 + H GLU 82 OK 100 100 - 100 Peak 1171 from nnoeabs.peaks (4.54, 8.45, 124.13 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 82 + H GLU 82 OK 100 100 - 100 - 2.9=100 HA ASN 79 + H GLU 82 OK 58 100 - 58 - 6119=18, 3.5/1669=13...(13) HA LEU 27 - H GLU 82 OK 12 98 - 12 - 4.0/7457=2, 4.0/7457=2 HA ASN 99 - H GLU 82 OK 11 96 - 12 - 1670/4.6=2, 4.5/7655=2...(4) HA THR 95 - H GLU 82 lone 9 100 - 9 - 1683/4.6=1, 3.0/1676=1 HB THR 121 - H GLU 82 lone 3 90 - 3 - Peak 1172 from nnoeabs.peaks (2.34, 8.45, 124.13 ppm; 3.20 A): 2 out of 9 assignments used, quality = 0.94: * HB2 GLU 82 + H GLU 82 OK 76 100 - 76 - 3.7=63, 3.0/1175=15...(5) HB3 GLU 82 + H GLU 82 OK 76 100 - 76 - 3.7=63, 3.0/1175=15...(5) HG2 PRO 70 - H GLU 82 OK 11 98 - 11 - 4163/2.9=2, 1.8/393=2...(6) HG2 GLU 15 - H GLU 82 OK 11 63 - 17 - 1.8/5448=4, 3.0/5445=3...(6) HG3 GLU 56 - H GLU 82 poor 8 73 - 11 - 4.0/8302=3, 3.0/393=2, 8303=2 HB3 PRO 60 - H GLU 82 lone 3 83 - 4 - HB2 LEU 54 - H GLU 82 lone 3 98 - 3 - HB VAL 18 - H GLU 82 lone 3 87 - 3 - HB3 ASN 118 - H GLU 82 lone 2 95 - 2 - Peak 1173 from nnoeabs.peaks (2.34, 8.45, 124.13 ppm; 3.20 A): 2 out of 9 assignments used, quality = 0.94: HB2 GLU 82 + H GLU 82 OK 76 100 - 76 - 3.7=63, 3.0/1175=15...(5) * HB3 GLU 82 + H GLU 82 OK 76 100 - 76 - 3.7=63, 3.0/1175=15...(5) HG2 PRO 70 - H GLU 82 OK 11 98 - 11 - 4163/2.9=2, 1.8/393=2...(6) HG2 GLU 15 - H GLU 82 OK 11 63 - 17 - 1.8/5448=4, 3.0/5445=3...(6) HG3 GLU 56 - H GLU 82 poor 8 73 - 11 - 4.0/8302=3, 3.0/393=2, 8303=2 HB3 PRO 60 - H GLU 82 lone 3 83 - 4 - HB2 LEU 54 - H GLU 82 lone 3 98 - 3 - HB VAL 18 - H GLU 82 lone 3 87 - 3 - HB3 ASN 118 - H GLU 82 lone 2 95 - 2 - Peak 1174 from nnoeabs.peaks (2.52, 8.45, 124.13 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.88: * HG2 GLU 82 + H GLU 82 OK 83 100 - 83 - 5.2=53, 1.8/1175=31...(12) HG3 GLN 103 + H GLU 82 OK 33 100 - 33 - 7775/2.9=9, ~7774=6...(8) HE3 LYS 46 - H GLU 82 lone 6 81 - 7 - 4164/2.9=1, 402/4.6=1 Peak 1175 from nnoeabs.peaks (2.95, 8.45, 124.13 ppm; 4.09 A): 1 out of 6 assignments used, quality = 0.78: * HG3 GLU 82 + H GLU 82 OK 78 100 - 78 - 5.2=50, 1.8/1174=25...(10) HB3 PHE 96 - H GLU 82 poor 10 89 - 11 - 4165/2.9=3, 4183/5.2=2...(5) HE2 LYS 31 - H GLU 82 lone 3 76 - 3 - HE3 LYS 31 - H GLU 82 lone 3 76 - 3 - HE3 LYS 32 - H GLU 82 lone 2 73 - 3 - HE2 LYS 32 - H GLU 82 lone 2 71 - 3 - Peak 1176 from nnoeabs.peaks (7.84, 7.84, 121.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 83 + H PHE 83 OK 100 100 - 100 Peak 1177 from nnoeabs.peaks (4.15, 7.84, 121.12 ppm; 3.67 A): 1 out of 12 assignments used, quality = 1.00: * HA PHE 83 + H PHE 83 OK 100 100 - 100 - 3.0=100 HA ILE 63 - H PHE 83 OK 32 97 - 33 - 4.2/7128=8, 3.0/398=7...(11) HA SER 78 - H PHE 83 OK 23 83 - 28 - 8658/1681=4, 2.9/1481=4...(9) HB3 SER 78 - H PHE 83 OK 18 81 - 23 - 5735=4, 1.8/5734=4...(9) HA GLU 28 - H PHE 83 OK 18 97 - 18 - 3.0/1486=4, 2304/4.6=2...(7) HA ALA 98 - H PHE 83 OK 16 97 - 16 - 2.1/8662=4, 3.6/1265=2...(7) HA PRO 37 - H PHE 83 OK 15 100 - 15 - 6699/4.6=3, 5997/4.6=2...(5) HA ILE 124 - H PHE 83 OK 12 99 - 13 - 3.2/7465=1, 5733=1 HA GLU 56 - H PHE 83 poor 9 81 - 11 - 8302/4.6=3 HB2 SER 113 - H PHE 83 lone 8 100 - 8 - HA ASN 108 - H PHE 83 lone 4 100 - 4 - HB3 SER 72 - H PHE 83 lone 3 98 - 3 - Peak 1178 from nnoeabs.peaks (3.52, 7.84, 121.12 ppm; 3.38 A): 3 out of 5 assignments used, quality = 0.89: * HB2 PHE 83 + H PHE 83 OK 75 100 - 76 - 4.0=58, 1.8/1179=21...(5) HA LEU 84 + H PHE 83 OK 46 90 - 51 - 2.9/1486=14, 3.6/1684=7...(12) HB2 PHE 96 + H PHE 83 OK 14 100 - 14 - 4192/3.0=3, 406/4.6=2...(5) HB3 SER 44 - H PHE 83 lone 4 85 - 5 - HB2 ASP 47 - H PHE 83 lone 1 68 - 2 - Peak 1179 from nnoeabs.peaks (3.21, 7.84, 121.12 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.85: * HB3 PHE 83 + H PHE 83 OK 80 100 - 80 - 4.0=64, 1.8/1178=20...(7) HD2 ARG 81 + H PHE 83 OK 28 99 - 29 - 5.9/1681=8, 4193/3.0=5...(7) HA GLN 42 - H PHE 83 lone 9 100 - 9 - 4193/3.0=2, 4200/4.0=2 HD2 ARG 71 - H PHE 83 lone 6 96 - 6 - 4193/3.0=1 HD3 ARG 71 - H PHE 83 lone 5 76 - 6 - 396/4.6=1 HB3 TRP 20 - H PHE 83 lone 3 92 - 3 - Peak 1182 from nnoeabs.peaks (7.11, 7.84, 121.12 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.95: * QD PHE 83 + H PHE 83 OK 91 100 - 91 - 4.6=80, 2.5/1179=25...(8) QD PHE 40 + H PHE 83 OK 42 99 - 42 - 4196/3.0=8, 4210/4.0=7...(9) H LEU 93 - H PHE 83 OK 15 78 - 20 - 4196/3.0=3, 410/4.6=3...(7) HE ARG 92 - H PHE 83 OK 10 99 - 10 - 4196/3.0=2, 410/4.6=2...(4) HE ARG 53 - H PHE 83 lone 5 76 - 7 - 4196/3.0=1, 7131/7128=1 Peak 1183 from nnoeabs.peaks (8.49, 8.49, 120.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 84 + H LEU 84 OK 100 100 - 100 Peak 1184 from nnoeabs.peaks (3.50, 8.49, 120.20 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 84 + H LEU 84 OK 100 100 - 100 - 2.9=100 HB2 PHE 83 + H LEU 84 OK 65 90 - 72 - 4.5=43, 1.8/407=14...(13) HB2 PHE 96 - H LEU 84 OK 30 92 - 33 - 4261/4.6=5, 7633/4.0=4...(13) HA VAL 18 - H LEU 84 OK 13 81 - 16 - 6357/4.0=2, 3.0/1689=2...(7) HB3 SER 44 - H LEU 84 OK 11 100 - 10 - ~2872=1, 4247/4.0=1 Peak 1185 from nnoeabs.peaks (1.90, 8.49, 120.20 ppm; 3.17 A): 3 out of 15 assignments used, quality = 0.92: * HB2 LEU 84 + H LEU 84 OK 74 100 - 74 - 4.0=49, 1.8/1186=11...(13) HG LEU 84 + H LEU 84 OK 55 92 - 60 - 5.2=22, 2.1/1188=14...(10) HB2 ARG 81 + H LEU 84 OK 34 100 - 34 - 3.0/6133=9, 4.3/1686=7...(12) HB2 GLU 28 - H LEU 84 OK 23 100 - 23 - 2310=7, 1.8/2316=5...(8) HB ILE 80 - H LEU 84 OK 19 85 - 23 - 3.0/1688=5, 3.2/7394=3...(10) HB ILE 22 - H LEU 84 OK 16 99 - 16 - 4.4/1487=4, 5479/4.7=3...(5) HB2 LEU 21 - H LEU 84 poor 9 76 - 12 - ~5977=2, 5975/2.9=2...(5) HB3 LYS 31 - H LEU 84 lone 9 87 - 10 - 2415=1, 3.0/2395=1...(4) HB2 LYS 119 - H LEU 84 lone 8 87 - 9 - 2.9/1186=1, 5205/4.0=1 HB3 GLU 73 - H LEU 84 lone 5 99 - 5 - HG LEU 55 - H LEU 84 lone 4 85 - 4 - 8640/4.6=1 HB VAL 50 - H LEU 84 lone 3 87 - 4 - 4.5/1686=1 HB2 ARG 92 - H LEU 84 lone 3 65 - 4 - 4.2/410=2 HG LEU 58 - H LEU 84 lone 2 60 - 3 - HB3 MET 11 - H LEU 84 lone 1 95 - 1 - Peak 1186 from nnoeabs.peaks (1.31, 8.49, 120.20 ppm; 3.84 A): 2 out of 9 assignments used, quality = 0.97: * HB3 LEU 84 + H LEU 84 OK 95 100 - 95 - 4.0=87, 3.1/1188=16...(12) HG CYS 87 + H LEU 84 OK 40 100 - 40 - ~6153=9, ~6151=7...(10) QG2 THR 23 - H LEU 84 OK 25 99 - 25 - 2190/4.7=6, 4.0/1487=6...(8) HG3 LYS 119 - H LEU 84 OK 16 97 - 17 - 4235/2.9=3, 4263/4.6=2...(7) QG2 THR 17 - H LEU 84 OK 14 85 - 17 - 6340/2.9=4, 4.4/1689=1...(7) QB ALA 43 - H LEU 84 poor 9 73 - 13 - 6813/4.6=2, ~6802=2...(5) HG2 LYS 46 - H LEU 84 lone 8 85 - 9 - 3.9/1688=2, 4235/2.9=1 HG3 LYS 46 - H LEU 84 lone 8 85 - 9 - 3.9/1688=2, 4235/2.9=1 HG LEU 54 - H LEU 84 lone 2 60 - 3 - Peak 1187 from nnoeabs.peaks (1.89, 8.49, 120.20 ppm; 3.17 A): 4 out of 16 assignments used, quality = 0.92: HB2 LEU 84 + H LEU 84 OK 68 92 - 74 - 4.0=49, 1.8/1186=11...(12) * HG LEU 84 + H LEU 84 OK 60 100 - 60 - 5.2=22, 2.1/1188=14...(11) HB2 ARG 81 + H LEU 84 OK 26 83 - 32 - 3.0/6133=9, 4.3/1686=7...(10) HB2 GLU 28 + H LEU 84 OK 20 90 - 22 - 2310=6, 1.8/2316=5...(8) HB3 GLU 28 - H LEU 84 OK 19 87 - 22 - 2316=5, 1.8/2310=5...(8) HB ILE 22 - H LEU 84 OK 11 81 - 14 - 4.4/1487=4, 5479/4.7=3...(5) HB3 LYS 31 - H LEU 84 OK 10 100 - 10 - 2415=2, 3.0/2395=1...(4) HB2 LYS 119 - H LEU 84 lone 9 100 - 9 - 5205/4.0=2, 2.9/1186=1 HG LEU 55 - H LEU 84 lone 5 100 - 5 - 8640/4.6=1 HB2 ARG 92 - H LEU 84 lone 4 96 - 4 - 4.2/410=2 HB VAL 50 - H LEU 84 lone 4 100 - 4 - 4.5/1686=1 HB3 LYS 109 - H LEU 84 lone 3 78 - 4 - HB3 GLU 73 - H LEU 84 lone 3 76 - 4 - HB2 LEU 58 - H LEU 84 lone 3 90 - 3 - HG3 PRO 68 - H LEU 84 lone 2 87 - 3 - HB3 MET 11 - H LEU 84 lone 1 63 - 1 - Peak 1188 from nnoeabs.peaks (0.14, 8.49, 120.20 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.94: * QD2 LEU 84 + H LEU 84 OK 89 100 - 89 - 4.6=58, 4237/2.9=22...(15) QG1 VAL 110 + H LEU 84 OK 43 100 - 43 - 4237/2.9=9, 4251/4.0=6...(11) QD2 LEU 51 - H LEU 84 OK 23 83 - 28 - 6940/4.6=4, 4237/2.9=4...(9) Peak 1189 from nnoeabs.peaks (0.75, 8.49, 120.20 ppm; 3.73 A): 3 out of 8 assignments used, quality = 0.92: * QD1 LEU 84 + H LEU 84 OK 85 100 - 85 - 4.6=55, 2.1/1188=19...(15) QG2 ILE 63 + H LEU 84 OK 26 95 - 28 - 4.0/1686=5, 7466/4.6=4...(12) HG LEU 111 + H LEU 84 OK 24 100 - 24 - 4238/2.9=3, 4252/4.0=3...(9) QD2 LEU 111 - H LEU 84 OK 20 92 - 22 - 4238/2.9=3, 4252/4.0=3...(8) QD2 LEU 93 - H LEU 84 OK 18 99 - 18 - 4238/2.9=3, 4.7/410=2...(8) QD1 LEU 114 - H LEU 84 OK 12 73 - 16 - 4252/4.0=2, 4272/4.6=2...(7) QD1 LEU 91 - H LEU 84 OK 11 100 - 11 - 4238/2.9=2, 4252/4.0=1...(5) QG2 VAL 66 - H LEU 84 lone 5 71 - 7 - 7466/4.6=2 Peak 1190 from nnoeabs.peaks (8.75, 8.75, 122.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 85 + H ARG 85 OK 100 100 - 100 Peak 1191 from nnoeabs.peaks (3.93, 8.75, 122.77 ppm; 3.64 A): 2 out of 13 assignments used, quality = 1.00: * HA ARG 85 + H ARG 85 OK 100 100 - 100 - 3.0=100 HA THR 23 + H ARG 85 OK 52 100 - 53 - 2182=16, 3.2/2190=9...(18) HB THR 62 - H ARG 85 OK 13 89 - 15 - 3.0/1693=4, 419/4.7=4...(4) HA2 GLY 25 - H ARG 85 OK 13 100 - 13 - 3.0/6481=5 HA ILE 34 - H ARG 85 poor 8 63 - 13 - 3.0/1195=3, ~4279=1...(4) HA ALA 43 - H ARG 85 lone 6 97 - 7 - HD3 PRO 68 - H ARG 85 lone 6 89 - 6 - HD2 PRO 68 - H ARG 85 lone 5 85 - 6 - HA2 GLY 125 - H ARG 85 lone 3 81 - 4 - HA3 GLY 125 - H ARG 85 lone 3 81 - 4 - HA SER 74 - H ARG 85 lone 3 89 - 3 - HA3 GLY 2 - H ARG 85 lone 1 63 - 2 - HA2 GLY 2 - H ARG 85 lone 1 63 - 2 - Peak 1192 from nnoeabs.peaks (1.95, 8.75, 122.77 ppm; 3.07 A): 3 out of 15 assignments used, quality = 0.89: * HB2 ARG 85 + H ARG 85 OK 64 100 - 64 - 4.0=45, 4.7/418=7...(10) HB3 ARG 85 + H ARG 85 OK 64 100 - 64 - 4.0=45, 4.7/418=7...(10) HB2 LYS 109 + H ARG 85 OK 14 97 - 15 - 4277/3.0=2, 1.8/415=2...(7) HB2 LEU 21 - H ARG 85 poor 9 81 - 12 - 4.6/1437=4, 3.8/1562=3 HB3 LYS 119 - H ARG 85 lone 7 100 - 7 - 1.8/415=1, 2.9/414=1 HG LEU 58 - H ARG 85 lone 5 92 - 6 - HB2 GLU 38 - H ARG 85 lone 5 99 - 5 - HB3 GLU 94 - H ARG 85 lone 4 99 - 4 - 4.0/1488=1 HB3 PRO 30 - H ARG 85 lone 4 100 - 4 - 3.9/411=1 HB2 GLU 64 - H ARG 85 lone 2 97 - 2 - HB3 GLU 64 - H ARG 85 lone 2 96 - 2 - HB ILE 80 - H ARG 85 lone 2 71 - 3 - HG LEU 45 - H ARG 85 lone 1 73 - 2 - HB3 GLU 69 - H ARG 85 lone 1 100 - 1 - HB2 ARG 71 - H ARG 85 lone 0 68 - 1 - Peak 1193 from nnoeabs.peaks (1.95, 8.75, 122.77 ppm; 3.07 A): 3 out of 15 assignments used, quality = 0.89: HB2 ARG 85 + H ARG 85 OK 64 100 - 64 - 4.0=45, 4.7/418=7...(10) * HB3 ARG 85 + H ARG 85 OK 64 100 - 64 - 4.0=45, 4.7/418=7...(10) HB2 LYS 109 + H ARG 85 OK 14 97 - 15 - 4277/3.0=2, 1.8/415=2...(7) HB2 LEU 21 - H ARG 85 poor 9 81 - 12 - 4.6/1437=4, 3.8/1562=3 HB3 LYS 119 - H ARG 85 lone 7 100 - 7 - 1.8/415=1, 2.9/414=1 HG LEU 58 - H ARG 85 lone 5 92 - 6 - HB2 GLU 38 - H ARG 85 lone 5 99 - 5 - HB3 GLU 94 - H ARG 85 lone 4 99 - 4 - 4.0/1488=1 HB3 PRO 30 - H ARG 85 lone 4 100 - 4 - 3.9/411=1 HB2 GLU 64 - H ARG 85 lone 2 97 - 2 - HB3 GLU 64 - H ARG 85 lone 2 96 - 2 - HB ILE 80 - H ARG 85 lone 2 71 - 3 - HG LEU 45 - H ARG 85 lone 1 73 - 2 - HB3 GLU 69 - H ARG 85 lone 1 100 - 1 - HB2 ARG 71 - H ARG 85 lone 0 68 - 1 - Peak 1194 from nnoeabs.peaks (1.50, 8.75, 122.77 ppm; 4.62 A): 1 out of 9 assignments used, quality = 0.96: * HG2 ARG 85 + H ARG 85 OK 96 100 - 96 - 5.0=80, 1.8/4306=21...(12) HG2 LYS 109 - H ARG 85 OK 31 87 - 35 - 4278/3.0=6, 4310/5.0=5...(13) HB2 LEU 24 - H ARG 85 OK 25 99 - 26 - 3.9/79=11, 4.6/6481=6...(6) HB3 LEU 114 - H ARG 85 OK 18 100 - 18 - 7943/4.3=4, 4278/3.0=3...(7) HB3 LEU 58 - H ARG 85 OK 16 97 - 16 - 4278/3.0=3, 4310/5.0=2...(8) HG LEU 93 - H ARG 85 OK 15 99 - 15 - 2.1/417=5, 422/4.7=4, 4278/3.0=2 HG LEU 91 - H ARG 85 OK 12 98 - 12 - 2.1/417=3, 422/4.7=2, 4278/3.0=1 HG3 ARG 92 - H ARG 85 OK 11 97 - 11 - 4278/3.0=2, ~4278=1...(4) HG2 ARG 92 - H ARG 85 OK 10 96 - 11 - 4278/3.0=2, ~4278=1...(4) Peak 1195 from nnoeabs.peaks (1.65, 8.75, 122.77 ppm; 4.35 A): 2 out of 11 assignments used, quality = 0.93: * HG3 ARG 85 + H ARG 85 OK 91 100 - 91 - 5.0=66, 4279/3.0=19...(11) HB ILE 34 + H ARG 85 OK 24 100 - 24 - 4279/3.0=5, 4303/5.0=3...(13) HG LEU 51 - H ARG 85 OK 22 97 - 22 - 2.1/416=6, 4306=4...(9) HG LEU 27 - H ARG 85 OK 21 99 - 21 - 4.3/1692=4, 4279/3.0=2...(7) HB3 LEU 41 - H ARG 85 OK 16 97 - 16 - 4.1/1488=4, 4279/3.0=3...(5) HB3 GLN 42 - H ARG 85 lone 8 98 - 8 - 4279/3.0=2, 423/4.7=1 HB2 LEU 59 - H ARG 85 lone 7 81 - 9 - 4279/3.0=1, 423/4.7=1 HD2 LYS 31 - H ARG 85 lone 5 73 - 7 - 6.0/411=1, 3.4/415=1 HD3 LYS 31 - H ARG 85 lone 5 73 - 7 - 6.0/411=1, 3.4/415=1 HB3 LYS 32 - H ARG 85 lone 5 99 - 5 - HG LEU 101 - H ARG 85 lone 3 68 - 5 - Peak 1198 from nnoeabs.peaks (8.56, 8.56, 108.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 86 + H GLY 86 OK 100 100 - 100 Peak 1199 from nnoeabs.peaks (3.40, 8.56, 108.05 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 86 + H GLY 86 OK 100 100 - 100 - 3.0=100 HA VAL 50 - H GLY 86 OK 15 85 - 17 - 6044=3, 3.6/1613=2...(6) HA LEU 21 - H GLY 86 OK 12 65 - 18 - 3.6/1489=5, 4334/3.0=2...(5) HD2 PRO 37 - H GLY 86 poor 8 76 - 11 - 3.6/1697=2, 4334/3.0=2...(4) Peak 1200 from nnoeabs.peaks (3.72, 8.56, 108.05 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 86 + H GLY 86 OK 100 100 - 100 - 3.0=100 HB3 SER 90 - H GLY 86 OK 17 96 - 18 - 4332/3.0=5, 7578/7506=4...(6) HA LEU 54 - H GLY 86 lone 7 68 - 10 - 3.0/235=3, 3.6/1629=2...(4) HB2 TRP 20 - H GLY 86 lone 6 90 - 7 - 4332/3.0=1, ~2040=1, 428/4.6=1 HA GLU 73 - H GLY 86 lone 2 78 - 3 - HA2 GLY 104 - H GLY 86 lone 2 99 - 2 - Peak 1201 from nnoeabs.peaks (8.30, 8.30, 120.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 87 + H CYS 87 OK 100 100 - 100 Peak 1202 from nnoeabs.peaks (3.76, 8.30, 120.51 ppm; 3.37 A): 1 out of 11 assignments used, quality = 1.00: * HA CYS 87 + H CYS 87 OK 100 100 - 100 - 3.0=100 HB3 SER 90 - H CYS 87 OK 17 73 - 23 - ~6166=5, ~6167=4...(9) HA GLU 38 - H CYS 87 OK 12 100 - 12 - 4345/3.6=2, 4341/3.6=1 HD2 PRO 30 - H CYS 87 lone 9 98 - 9 - 4341/3.6=1, 4345/3.6=1 HA LEU 54 - H CYS 87 lone 5 97 - 5 - HB3 SER 13 - H CYS 87 lone 5 99 - 5 - HB3 SER 35 - H CYS 87 lone 5 100 - 4 - HA GLU 73 - H CYS 87 lone 4 93 - 4 - HB2 SER 72 - H CYS 87 lone 2 85 - 2 - HB3 SER 74 - H CYS 87 lone 2 73 - 2 - HB2 SER 74 - H CYS 87 lone 2 71 - 2 - Peak 1203 from nnoeabs.peaks (2.27, 8.30, 120.51 ppm; 3.68 A): 1 out of 11 assignments used, quality = 1.00: * HB2 CYS 87 + H CYS 87 OK 100 100 - 100 - 3.6=100 HG3 GLU 94 - H CYS 87 lone 9 100 - 9 - 4.9/426=2, 4338/3.0=2...(4) HG3 GLU 38 - H CYS 87 poor 7 63 - 11 - 4.0/1202=2, 4338/3.0=2 HG2 GLU 38 - H CYS 87 poor 7 60 - 11 - 4.0/1202=2, 4338/3.0=2 HB VAL 120 - H CYS 87 poor 6 60 - 10 - 2.1/7526=5, 4338/3.0=1 HG2 GLU 56 - H CYS 87 lone 4 76 - 5 - 4.0/8299=1 HG2 GLU 94 - H CYS 87 lone 4 57 - 6 - 4.9/426=2 HG3 GLN 105 - H CYS 87 lone 3 95 - 3 - HG3 GLU 15 - H CYS 87 lone 3 87 - 4 - HG2 GLN 105 - H CYS 87 lone 3 93 - 3 - HB2 PRO 70 - H CYS 87 lone 2 71 - 3 - Peak 1204 from nnoeabs.peaks (2.46, 8.30, 120.51 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.89: * HB3 CYS 87 + H CYS 87 OK 88 100 - 88 - 3.6=82, 432/4.7=13...(6) HB2 CYS 52 + H CYS 87 OK 11 90 - 13 - 4339/3.0=3, 4343/3.6=2...(5) Peak 1205 from nnoeabs.peaks (7.86, 7.86, 106.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 88 + H GLY 88 OK 100 100 - 100 Peak 1206 from nnoeabs.peaks (3.81, 7.86, 106.36 ppm; 2.94 A): 2 out of 11 assignments used, quality = 1.00: * HA2 GLY 88 + H GLY 88 OK 99 100 - 99 - 3.0=99 HA3 GLY 88 + H GLY 88 OK 99 100 - 99 - 3.0=99 HB2 SER 90 - H GLY 88 OK 30 96 - 32 - 1.8/1706=11, 3.8/1718=10...(8) HA3 GLY 39 - H GLY 88 lone 4 100 - 4 - HA LYS 119 - H GLY 88 lone 3 76 - 4 - HA2 GLY 61 - H GLY 88 lone 3 89 - 3 - HB2 SER 29 - H GLY 88 lone 2 100 - 2 - HB3 SER 29 - H GLY 88 lone 2 100 - 2 - HA THR 116 - H GLY 88 lone 2 83 - 2 - HA LEU 77 - H GLY 88 lone 1 63 - 2 - HB2 SER 74 - H GLY 88 lone 1 60 - 2 - Peak 1207 from nnoeabs.peaks (3.81, 7.86, 106.36 ppm; 2.94 A): 2 out of 11 assignments used, quality = 1.00: * HA3 GLY 88 + H GLY 88 OK 99 100 - 99 - 3.0=99 HA2 GLY 88 + H GLY 88 OK 99 100 - 99 - 3.0=99 HB2 SER 90 - H GLY 88 OK 28 90 - 32 - 1.8/1706=11, 3.8/1718=10...(8) HA3 GLY 39 - H GLY 88 lone 4 99 - 4 - HA LYS 119 - H GLY 88 lone 3 85 - 4 - HA2 GLY 61 - H GLY 88 lone 2 81 - 3 - HB3 SER 29 - H GLY 88 lone 2 100 - 2 - HB2 SER 29 - H GLY 88 lone 2 100 - 2 - HA THR 116 - H GLY 88 lone 2 90 - 2 - HA LEU 77 - H GLY 88 lone 2 73 - 2 - HA THR 19 - H GLY 88 lone 1 60 - 2 - Peak 1208 from nnoeabs.peaks (7.96, 7.96, 121.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 89 + H ALA 89 OK 100 100 - 100 H LEU 114 + H LEU 114 OK 78 78 - 100 Peak 1209 from nnoeabs.peaks (4.24, 7.96, 121.48 ppm; 3.37 A): 1 out of 26 assignments used, quality = 1.00: * HA ALA 89 + H ALA 89 OK 100 100 - 100 - 2.9=100 HA VAL 66 - H LEU 114 OK 15 51 - 29 - 3.2/3670=5, 3.2/3675=4...(10) HA ALA 89 - H LEU 114 OK 12 90 - 13 - 4354=4, 3.6/436=3, 2.1/4357=3 HA VAL 66 - H ALA 89 poor 10 63 - 16 - 3660=2, 3.2/3675=2...(6) HA THR 17 - H LEU 114 poor 10 87 - 11 - 3.2/7559=2, 6343/4.6=2 HA LEU 58 - H ALA 89 lone 9 97 - 9 - 437/4.5=2, 4358/2.9=1 HA LEU 58 - H LEU 114 lone 5 84 - 6 - 3.0/1492=1, ~6241=1 HA GLU 64 - H LEU 114 lone 4 75 - 6 - 3.6/1472=4 HA GLU 64 - H ALA 89 lone 4 89 - 5 - 3.6/1472=2 HB THR 19 - H LEU 114 lone 4 88 - 5 - 4.0/1764=1 HA ILE 22 - H ALA 89 lone 4 65 - 6 - 3.0/1712=1 HA CYS 52 - H LEU 114 lone 4 67 - 5 - 3.0/576=1 HA THR 17 - H ALA 89 lone 4 99 - 4 - HB THR 19 - H ALA 89 lone 3 99 - 3 - HA CYS 52 - H ALA 89 lone 3 81 - 4 - HA ILE 22 - H LEU 114 lone 3 53 - 5 - 3.0/1712=1 HA GLU 94 - H LEU 114 lone 2 48 - 5 - HA3 GLY 48 - H ALA 89 lone 2 100 - 2 - HA ALA 122 - H ALA 89 lone 2 60 - 3 - HA3 GLY 48 - H LEU 114 lone 2 89 - 2 - HA VAL 26 - H ALA 89 lone 1 78 - 2 - HA VAL 26 - H LEU 114 lone 1 65 - 2 - HA SER 13 - H ALA 89 lone 1 65 - 2 - HA SER 13 - H LEU 114 lone 1 53 - 2 - HA GLU 94 - H ALA 89 lone 1 60 - 1 - HA ALA 122 - H LEU 114 lone 1 48 - 1 - Peak 1210 from nnoeabs.peaks (1.44, 7.96, 121.48 ppm; 2.84 A): 1 out of 34 assignments used, quality = 0.93: * QB ALA 89 + H ALA 89 OK 93 100 - 93 - 2.9=91, 3.6/436=8...(6) HB3 LEU 91 - H ALA 89 OK 27 97 - 28 - 4.0/1494=4, 3.0/5788=3...(11) HD3 LYS 65 - H LEU 114 OK 15 90 - 17 - 5680=2, 1.8/5679=2...(10) HD2 LYS 65 - H LEU 114 OK 15 90 - 17 - 5680=2, 1.8/5679=2...(10) HB3 LEU 91 - H LEU 114 OK 15 84 - 18 - 3.1/5792=2, 4.0/1494=2...(7) QB ALA 89 - H LEU 114 OK 14 90 - 15 - 4357=4, 3.6/436=2...(5) HD2 LYS 65 - H ALA 89 OK 13 100 - 13 - 5680=2, 1.8/5680=2...(4) HD3 LYS 65 - H ALA 89 OK 13 100 - 13 - 5679=2, 1.8/5680=2...(4) HB3 GLU 75 - H LEU 114 lone 8 85 - 9 - 4.3/1516=2, 5721/4.6=1...(4) HB2 LEU 93 - H ALA 89 poor 8 71 - 11 - 3.8/450=2, 3.1/8528=2 HD2 LYS 46 - H LEU 114 lone 7 73 - 10 - 2.9/7559=1, 2.9/7559=1 HB2 LEU 93 - H LEU 114 lone 5 58 - 9 - 3.8/450=2, 3.1/8528=2 HB3 LEU 101 - H ALA 89 lone 4 100 - 4 - QB ALA 98 - H ALA 89 lone 4 89 - 4 - HB3 LEU 101 - H LEU 114 lone 4 90 - 4 - HD2 LYS 46 - H ALA 89 lone 3 87 - 4 - QB ALA 98 - H LEU 114 lone 3 75 - 4 - HB2 LEU 51 - H LEU 114 lone 3 69 - 4 - 3.1/7557=2 HG LEU 24 - H ALA 89 lone 3 97 - 3 - HG2 LYS 119 - H ALA 89 lone 3 83 - 3 - HB3 GLU 75 - H ALA 89 lone 3 97 - 3 - HB3 LEU 45 - H ALA 89 lone 2 97 - 3 - HB3 LEU 45 - H LEU 114 lone 2 85 - 3 - HB2 LEU 51 - H ALA 89 lone 2 83 - 3 - HG2 LYS 119 - H LEU 114 lone 2 69 - 3 - HG LEU 24 - H LEU 114 lone 2 85 - 2 - QB ALA 122 - H ALA 89 lone 2 65 - 2 - HG3 ARG 57 - H LEU 114 lone 1 53 - 3 - QB ALA 14 - H LEU 114 lone 1 58 - 2 - HG3 LYS 31 - H LEU 114 lone 1 62 - 2 - HG3 LYS 31 - H ALA 89 lone 1 76 - 1 - HG3 ARG 57 - H ALA 89 lone 1 65 - 2 - QB ALA 14 - H ALA 89 lone 1 71 - 1 - QB ALA 122 - H LEU 114 lone 1 53 - 1 - Peak 1211 from nnoeabs.peaks (7.72, 7.72, 110.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 90 + H SER 90 OK 100 100 - 100 Peak 1212 from nnoeabs.peaks (4.46, 7.72, 110.55 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 90 + H SER 90 OK 100 100 - 100 - 3.0=100 HA SER 113 - H SER 90 lone 7 73 - 10 - 3.6/436=3 HA ARG 71 - H SER 90 lone 4 83 - 5 - HA LEU 101 - H SER 90 lone 4 63 - 6 - 3.0/438=1, 440/4.6=1 HA SER 29 - H SER 90 lone 4 60 - 6 - 3.8/1719=1 HA PRO 60 - H SER 90 lone 3 100 - 3 - HA PRO 70 - H SER 90 lone 1 83 - 2 - Peak 1213 from nnoeabs.peaks (3.80, 7.72, 110.55 ppm; 3.35 A): 3 out of 10 assignments used, quality = 0.94: * HB2 SER 90 + H SER 90 OK 81 100 - 81 - 3.8=69, 1.8/4368=18...(8) HA2 GLY 88 + H SER 90 OK 45 96 - 47 - 3.0/1718=16, 3.6/436=11...(11) HA3 GLY 88 + H SER 90 OK 42 90 - 47 - 3.0/1718=16, 3.6/436=11...(11) HB2 SER 29 - H SER 90 lone 5 93 - 5 - HB3 SER 29 - H SER 90 lone 5 92 - 5 - HA2 GLY 61 - H SER 90 lone 4 100 - 4 - HA3 GLY 39 - H SER 90 lone 2 98 - 2 - HB2 SER 74 - H SER 90 lone 2 89 - 2 - HB3 SER 74 - H SER 90 lone 2 87 - 2 - HB2 SER 72 - H SER 90 lone 1 76 - 1 - Peak 1214 from nnoeabs.peaks (3.73, 7.72, 110.55 ppm; 3.27 A): 3 out of 9 assignments used, quality = 0.88: * HB3 SER 90 + H SER 90 OK 78 100 - 78 - 3.8=64, 1.8/4364=17...(7) HA CYS 87 + H SER 90 OK 27 73 - 37 - 3.6/1718=13, 6165=8...(8) HA3 GLY 86 + H SER 90 OK 27 96 - 28 - 1.8/1720=7, 7561/3.6=6...(8) HA LEU 54 - H SER 90 lone 4 93 - 5 - HA GLU 73 - H SER 90 lone 3 97 - 3 - HA GLU 38 - H SER 90 lone 3 71 - 5 - HB3 SER 35 - H SER 90 lone 2 71 - 3 - HB2 TRP 20 - H SER 90 lone 2 63 - 3 - HA2 GLY 104 - H SER 90 lone 1 85 - 1 - Peak 1215 from nnoeabs.peaks (7.75, 7.75, 120.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 91 + H LEU 91 OK 100 100 - 100 Peak 1216 from nnoeabs.peaks (4.51, 7.75, 120.20 ppm; 3.40 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 91 + H LEU 91 OK 100 100 - 100 - 3.0=100 HA LEU 101 - H LEU 91 OK 21 93 - 22 - 4387/4.0=3, 4380/4.0=3...(11) HA PRO 30 - H LEU 91 OK 20 100 - 20 - 8245/4.0=4, 4401/4.5=3...(9) HA ARG 71 - H LEU 91 poor 10 78 - 12 - 3.0/1217=2, 4387/4.0=1...(5) HB THR 23 - H LEU 91 lone 4 98 - 4 - HA PRO 70 - H LEU 91 lone 3 78 - 4 - HA LEU 27 - H LEU 91 lone 3 57 - 5 - Peak 1217 from nnoeabs.peaks (1.74, 7.75, 120.20 ppm; 3.47 A): 6 out of 15 assignments used, quality = 0.93: * HB2 LEU 91 + H LEU 91 OK 85 100 - 85 - 4.0=64, 1.8/1218=15...(13) HB VAL 66 + H LEU 91 OK 22 95 - 23 - 3.0/7583=4, 4.0/1494=3...(10) HG LEU 117 + H LEU 91 OK 15 63 - 24 - 2.1/5910=4, 3.0/5907=3...(11) HB3 ARG 71 + H LEU 91 OK 12 99 - 12 - 4374/3.0=2, 3.0/440=2...(4) HG2 ARG 71 + H LEU 91 OK 11 98 - 11 - 4374/3.0=2, 4.0/440=1 HG3 PRO 30 + H LEU 91 OK 11 60 - 18 - 3.8/1216=3, ~2346=2...(10) HB3 LEU 55 - H LEU 91 poor 9 89 - 11 - 3.0/8639=2, 3.1/7020=1 HB2 LYS 31 - H LEU 91 lone 8 97 - 8 - 4374/3.0=1, 4388/4.0=1 HG3 ARG 71 - H LEU 91 lone 8 78 - 10 - 4.0/440=1, 4374/3.0=1 HB2 ARG 53 - H LEU 91 lone 7 99 - 7 - 445/4.6=2 HB2 LEU 45 - H LEU 91 lone 5 85 - 6 - HB3 LYS 46 - H LEU 91 lone 5 89 - 5 - HB3 LEU 77 - H LEU 91 lone 2 73 - 3 - HD2 LYS 109 - H LEU 91 lone 2 63 - 2 - HG2 GLN 42 - H LEU 91 lone 1 71 - 2 - Peak 1218 from nnoeabs.peaks (1.43, 7.75, 120.20 ppm; 3.34 A): 3 out of 13 assignments used, quality = 0.93: * HB3 LEU 91 + H LEU 91 OK 82 100 - 82 - 4.0=58, 1.8/4379=15...(15) QB ALA 89 + H LEU 91 OK 49 97 - 51 - 4.9/440=10, 2.9/1494=7...(16) HB3 LEU 101 + H LEU 91 OK 23 97 - 24 - 4375/3.0=4, 4382/4.0=3...(10) QB ALA 98 - H LEU 91 lone 8 99 - 8 - 7666/4.5=2, 4375/3.0=1 HD3 LYS 65 - H LEU 91 lone 7 93 - 7 - 446/4.6=1 HD2 LYS 65 - H LEU 91 lone 7 93 - 7 - 446/4.6=1 HG LEU 24 - H LEU 91 lone 6 81 - 8 - HB3 LEU 45 - H LEU 91 lone 5 81 - 6 - HG LEU 59 - H LEU 91 lone 4 65 - 7 - 2.1/1220=1 QB ALA 122 - H LEU 91 lone 4 90 - 4 - HB3 GLU 75 - H LEU 91 lone 3 81 - 4 - HB2 LEU 51 - H LEU 91 lone 3 98 - 3 - HD2 LYS 46 - H LEU 91 lone 2 60 - 4 - Peak 1219 from nnoeabs.peaks (1.49, 7.75, 120.20 ppm; 3.37 A): 7 out of 14 assignments used, quality = 0.95: * HG LEU 91 + H LEU 91 OK 68 100 - 68 - 5.2=27, 2.1/4400=12...(13) HG LEU 93 + H LEU 91 OK 45 100 - 45 - 2.1/1220=7, 5.3/7612=7...(14) HB2 LEU 93 + H LEU 91 OK 31 73 - 42 - 3.8/7612=10, 3.1/1220=6...(17) HG3 ARG 92 + H LEU 91 OK 21 85 - 25 - 4.9/443=7, 3.9/7583=7...(8) HG2 ARG 92 + H LEU 91 OK 20 81 - 24 - 4.9/443=7, 3.9/7583=7...(8) HB3 LEU 114 + H LEU 91 OK 18 97 - 19 - 4.0/1494=3, 3.0/6241=3...(9) HB3 LEU 58 + H LEU 91 OK 15 100 - 15 - 4376/3.0=1, 4404/4.5=1...(8) HB2 LEU 24 - H LEU 91 lone 6 89 - 7 - HG2 ARG 85 - H LEU 91 lone 4 98 - 4 - 7497/4.6=1 HG3 LYS 31 - H LEU 91 lone 4 68 - 6 - 2.9/1217=1 HG3 ARG 57 - H LEU 91 lone 3 78 - 4 - HG2 LYS 109 - H LEU 91 lone 3 98 - 3 - QB ALA 14 - H LEU 91 lone 3 73 - 4 - HG2 LYS 119 - H LEU 91 lone 3 60 - 4 - 4.9/603=1 Peak 1220 from nnoeabs.peaks (0.82, 7.75, 120.20 ppm; 3.71 A): 2 out of 8 assignments used, quality = 0.95: * QD2 LEU 91 + H LEU 91 OK 88 100 - 88 - 4.5=57, 4401/3.0=19...(15) QD1 LEU 93 + H LEU 91 OK 62 95 - 66 - 4.7/7612=10, 8525/3.6=10...(17) HB2 ASN 118 - H LEU 91 OK 25 99 - 25 - 5178=6, 1.8/5184=3...(11) QD1 LEU 111 - H LEU 91 OK 21 85 - 24 - 2.1/1221=4, 4377/3.0=3...(10) HG13 ILE 22 - H LEU 91 OK 13 78 - 17 - 7572/3.6=2, 7575/4.4=2...(8) QG1 VAL 115 - H LEU 91 OK 13 93 - 14 - 3.2/6243=2, 7572/3.6=1...(5) QD1 ILE 22 - H LEU 91 OK 12 92 - 13 - 4377/3.0=2, 4384/4.0=1 QD1 LEU 59 - H LEU 91 OK 10 68 - 15 - 7579/4.4=1, 7575/4.4=1...(4) Peak 1221 from nnoeabs.peaks (0.74, 7.75, 120.20 ppm; 3.83 A): 2 out of 8 assignments used, quality = 0.95: * QD1 LEU 91 + H LEU 91 OK 90 100 - 90 - 4.5=63, 2.1/4400=15...(14) QD2 LEU 93 + H LEU 91 OK 56 97 - 58 - 4.7/7612=11, 2.1/1220=9...(16) HG LEU 111 - H LEU 91 OK 27 99 - 28 - 4378/3.0=4, 4385/4.0=4...(11) QD2 LEU 111 - H LEU 91 OK 26 97 - 27 - 4385/4.0=3, 4378/3.0=3...(11) QD1 LEU 114 - H LEU 91 OK 20 83 - 24 - 4.4/1494=3, 4.0/6241=3...(9) QG2 VAL 66 - H LEU 91 OK 15 60 - 25 - 3.2/7583=5, 2.1/1217=4...(10) QG2 ILE 63 - H LEU 91 OK 13 89 - 15 - 7123/4.6=3, 7138/4.0=2...(5) QD1 LEU 84 - H LEU 91 OK 10 100 - 10 - 7481/7612=1, 4392/4.0=1 Peak 1222 from nnoeabs.peaks (7.96, 7.96, 116.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 92 + H ARG 92 OK 100 100 - 100 Peak 1223 from nnoeabs.peaks (4.18, 7.96, 116.66 ppm; 3.32 A): 1 out of 8 assignments used, quality = 1.00: * HA ARG 92 + H ARG 92 OK 100 100 - 100 - 3.0=100 HA VAL 66 - H ARG 92 OK 16 60 - 26 - 3.0/3665=4, 3660=3...(10) HA PRO 68 - H ARG 92 OK 14 100 - 14 - 4423/3.6=3, 4431/3.6=2...(6) HA GLU 56 - H ARG 92 poor 9 89 - 10 - 4423/3.6=2, 3.0/1225=1 HA LEU 126 - H ARG 92 lone 6 76 - 8 - 4414=2 HA3 GLY 61 - H ARG 92 lone 5 99 - 5 - HA GLU 28 - H ARG 92 lone 3 63 - 5 - HA SER 78 - H ARG 92 lone 2 87 - 2 - Peak 1224 from nnoeabs.peaks (1.88, 7.96, 116.66 ppm; 3.89 A): 1 out of 13 assignments used, quality = 1.00: * HB2 ARG 92 + H ARG 92 OK 100 100 - 100 - 3.6=100 HG3 PRO 68 - H ARG 92 OK 21 99 - 21 - 4416/3.0=4, 3.8/1223=2...(8) HB2 LEU 58 - H ARG 92 OK 17 100 - 17 - 4416/3.0=3, 1.8/447=2...(8) HG LEU 55 - H ARG 92 OK 17 99 - 17 - 8640/4.6=4, 4416/3.0=2...(5) HG LEU 84 - H ARG 92 OK 10 96 - 11 - 7476/4.6=3, 2.1/449=2 HB3 LYS 31 - H ARG 92 lone 8 98 - 8 - 1.8/445=2, 452/4.6=2, 2417/4.2=1 HB2 LYS 119 - H ARG 92 lone 7 98 - 7 - 8030/5.0=2 HB3 GLU 28 - H ARG 92 lone 6 99 - 6 - 4416/3.0=1 HB3 LYS 109 - H ARG 92 lone 5 97 - 5 - HG12 ILE 22 - H ARG 92 lone 5 65 - 8 - 2.1/448=2, 1.8/448=2 HB2 LEU 84 - H ARG 92 lone 4 65 - 6 - 3.1/449=1 HB2 GLU 28 - H ARG 92 lone 3 63 - 5 - HB VAL 50 - H ARG 92 lone 2 98 - 2 - Peak 1225 from nnoeabs.peaks (1.81, 7.96, 116.66 ppm; 3.99 A): 1 out of 12 assignments used, quality = 1.00: * HB3 ARG 92 + H ARG 92 OK 100 100 - 100 - 3.6=100 HG3 ARG 53 - H ARG 92 OK 27 81 - 34 - 4425/3.6=5, 4417/3.0=5...(17) HB3 ARG 57 - H ARG 92 OK 15 99 - 15 - 4417/3.0=2, 4425/3.6=2...(4) HB3 GLU 56 - H ARG 92 OK 13 93 - 14 - 4417/3.0=2, 4425/3.6=2 HG13 ILE 63 - H ARG 92 OK 12 93 - 13 - 3.2/7123=4, 453/4.6=2...(4) HB2 PRO 60 - H ARG 92 lone 4 100 - 4 - HB3 GLN 105 - H ARG 92 lone 4 96 - 4 - 453/4.6=2 HG2 GLU 75 - H ARG 92 lone 4 99 - 4 - HG LEU 41 - H ARG 92 lone 4 68 - 5 - 2.1/8412=1 HB2 PRO 37 - H ARG 92 lone 3 83 - 3 - HB2 LYS 32 - H ARG 92 lone 1 83 - 2 - HB2 GLU 69 - H ARG 92 lone 1 65 - 2 - Peak 1226 from nnoeabs.peaks (1.51, 7.96, 116.66 ppm; 3.62 A): 3 out of 9 assignments used, quality = 0.95: HG3 ARG 92 + H ARG 92 OK 71 100 - 71 - 4.9=40, 4418/3.0=10...(14) * HG2 ARG 92 + H ARG 92 OK 71 100 - 71 - 4.9=40, 4418/3.0=10...(14) HG LEU 91 + H ARG 92 OK 36 81 - 45 - 2.1/5792=11, 3.0/446=10...(10) HB3 LEU 114 - H ARG 92 OK 33 97 - 34 - 5070=5, 1.8/5063=4...(15) HG LEU 93 - H ARG 92 OK 32 87 - 37 - 5.3/1495=7, 2.1/8528=7...(12) HB3 LEU 58 - H ARG 92 OK 13 76 - 17 - 1.8/1224=3, 3.9/443=2...(9) HG2 ARG 85 - H ARG 92 OK 11 96 - 12 - 7497=2, 1.8/7499=2...(5) HB2 LEU 24 - H ARG 92 lone 7 100 - 7 - HD3 LYS 46 - H ARG 92 lone 4 87 - 5 - Peak 1227 from nnoeabs.peaks (1.51, 7.96, 116.66 ppm; 3.62 A): 3 out of 10 assignments used, quality = 0.95: * HG3 ARG 92 + H ARG 92 OK 71 100 - 71 - 4.9=40, 4418/3.0=10...(17) HG2 ARG 92 + H ARG 92 OK 71 100 - 71 - 4.9=40, 4418/3.0=10...(15) HG LEU 91 + H ARG 92 OK 38 85 - 45 - 2.1/5792=11, 3.0/446=10...(10) HG LEU 93 - H ARG 92 OK 34 90 - 38 - 5.3/1495=7, 2.1/8528=7...(12) HB3 LEU 114 - H ARG 92 OK 33 99 - 34 - 5070=5, 1.8/5063=4...(16) HB3 LEU 58 - H ARG 92 OK 14 81 - 17 - 1.8/1224=3, 3.9/443=2...(11) HG2 ARG 85 - H ARG 92 OK 12 97 - 12 - 7497=2, 1.8/7499=2...(5) HB2 LEU 24 - H ARG 92 lone 8 100 - 7 - HD3 LYS 46 - H ARG 92 lone 4 83 - 5 - HG2 LYS 109 - H ARG 92 lone 3 63 - 5 - Peak 1228 from nnoeabs.peaks (3.15, 7.96, 116.66 ppm; 4.91 A): 2 out of 6 assignments used, quality = 0.99: * HD2 ARG 92 + H ARG 92 OK 90 100 - 90 - 6.1=51, 4420/3.0=14...(16) HD3 ARG 92 + H ARG 92 OK 90 100 - 90 - 6.1=51, 4420/3.0=14...(16) HD2 ARG 53 - H ARG 92 OK 22 63 - 35 - 3.0/1225=6, 3.6/445=4...(14) HD3 ARG 81 - H ARG 92 OK 12 87 - 14 - ~7443=2, 4420/3.0=2...(4) HD3 ARG 57 - H ARG 92 OK 11 73 - 14 - 3.5/1225=3, 4428/3.6=2...(5) HB2 HIS 10 - H ARG 92 lone 3 100 - 3 - Peak 1229 from nnoeabs.peaks (3.15, 7.96, 116.66 ppm; 4.91 A): 2 out of 6 assignments used, quality = 0.99: * HD3 ARG 92 + H ARG 92 OK 90 100 - 90 - 6.1=51, 4420/3.0=14...(16) HD2 ARG 92 + H ARG 92 OK 90 100 - 90 - 6.1=51, 4420/3.0=14...(16) HD2 ARG 53 - H ARG 92 OK 23 65 - 35 - 3.0/1225=6, 3.6/445=4...(14) HD3 ARG 81 - H ARG 92 OK 12 85 - 14 - ~7443=2, 4420/3.0=2...(4) HD3 ARG 57 - H ARG 92 OK 10 71 - 14 - 3.5/1225=3, 4428/3.6=2...(5) HB2 HIS 10 - H ARG 92 lone 3 100 - 3 - Peak 1230 from nnoeabs.peaks (7.09, 7.09, 119.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 93 + H LEU 93 OK 100 100 - 100 Peak 1231 from nnoeabs.peaks (4.38, 7.09, 119.22 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 93 + H LEU 93 OK 100 100 - 100 - 3.0=100 HB THR 116 - H LEU 93 OK 25 97 - 26 - 4485/3.8=5, 4506/4.7=4...(9) HA GLN 105 - H LEU 93 OK 13 100 - 13 - 3.0/453=2, 4.1/7596=2...(5) HA THR 121 - H LEU 93 poor 7 60 - 12 - 3.2/1233=3, 4485/3.8=2...(5) HA SER 35 - H LEU 93 lone 6 99 - 6 - 4485/3.8=1 HA MET 11 - H LEU 93 lone 3 90 - 3 - HA CYS 76 - H LEU 93 lone 1 71 - 2 - Peak 1232 from nnoeabs.peaks (1.47, 7.09, 119.22 ppm; 3.14 A): 7 out of 17 assignments used, quality = 0.94: * HB2 LEU 93 + H LEU 93 OK 77 100 - 77 - 3.8=55, 1.8/1233=15...(12) HG LEU 93 + H LEU 93 OK 37 65 - 57 - 5.3=21, 2.1/4505=11...(10) HG LEU 91 + H LEU 93 OK 35 73 - 47 - 3.0/7582=6, 3.0/7581=6...(13) HG3 LYS 31 + H LEU 93 OK 14 100 - 14 - 1.8/1233=3, 2439/3.8=2...(6) QB ALA 89 + H LEU 93 OK 14 71 - 19 - 2.9/450=4, 4.8/7549=3...(5) HB3 LEU 58 + H LEU 93 OK 11 78 - 15 - 1.8/452=2, 3.1/7595=2...(6) HB3 LEU 101 + H LEU 93 OK 10 68 - 15 - 3.1/7726=5, 3.1/8743=4 QB ALA 14 - H LEU 93 lone 7 100 - 7 - 6305/4.7=1 HG2 LYS 119 - H LEU 93 lone 6 100 - 6 - HD2 LYS 65 - H LEU 93 lone 5 78 - 6 - 2.9/7595=1, 2.9/7595=1 HD3 LYS 65 - H LEU 93 lone 5 78 - 6 - 2.9/7595=1, 2.9/7595=1 HG3 ARG 57 - H LEU 93 lone 4 100 - 4 - 3.0/453=1 HD2 LYS 46 - H LEU 93 lone 4 99 - 4 - HB3 LEU 45 - H LEU 93 lone 4 92 - 4 - HG2 LYS 109 - H LEU 93 lone 3 92 - 4 - HG LEU 24 - H LEU 93 lone 3 92 - 4 - HB3 GLU 75 - H LEU 93 lone 3 92 - 3 - Peak 1233 from nnoeabs.peaks (1.38, 7.09, 119.22 ppm; 3.30 A): 6 out of 7 assignments used, quality = 0.93: * HB3 LEU 93 + H LEU 93 OK 82 100 - 82 - 3.8=64, 1.8/1232=12...(12) HB2 LEU 111 + H LEU 93 OK 23 99 - 24 - 4473/3.0=4, 3.0/1235=3...(9) QG2 THR 121 + H LEU 93 OK 19 99 - 20 - 8085/4.7=3, 5309/3.0=3...(7) HG2 LYS 31 + H LEU 93 OK 16 96 - 17 - 4473/3.0=3, 2430/3.8=2...(7) HB VAL 110 + H LEU 93 OK 16 97 - 16 - 2.1/7857=5, 2.1/7860=3...(4) HB2 LEU 27 + H LEU 93 OK 15 93 - 16 - 3.1/6533=2, 4473/3.0=2...(6) HG LEU 59 - H LEU 93 lone 8 85 - 9 - 2.1/1236=1, 4473/3.0=1 Peak 1234 from nnoeabs.peaks (1.49, 7.09, 119.22 ppm; 3.10 A): 5 out of 13 assignments used, quality = 0.96: * HG LEU 93 + H LEU 93 OK 59 100 - 59 - 5.3=21, 2.1/4505=11...(12) HG LEU 91 + H LEU 93 OK 52 100 - 52 - 4491=6, 3.0/7582=6...(17) HB2 LEU 93 + H LEU 93 OK 49 65 - 75 - 3.8=53, 1.8/1233=14...(12) HG3 ARG 92 + H LEU 93 OK 37 90 - 41 - 3.9/451=13, 3.0/453=8...(9) HG2 ARG 92 + H LEU 93 OK 35 87 - 40 - 3.9/451=13, 3.0/453=8...(9) HB3 LEU 114 - H LEU 93 OK 24 99 - 25 - 3.1/7948=8, 3.1/6981=4...(8) HB3 LEU 58 - H LEU 93 OK 18 100 - 18 - 1.8/452=2, 8306/3.8=2...(6) HG2 ARG 85 - H LEU 93 lone 7 99 - 7 - 5.0/1496=1 HG3 LYS 31 - H LEU 93 poor 7 60 - 11 - 1.8/1233=3, 2.9/452=1...(6) HB2 LEU 24 - H LEU 93 lone 5 93 - 5 - HG2 LYS 109 - H LEU 93 lone 4 96 - 4 - QB ALA 14 - H LEU 93 lone 3 65 - 4 - HG3 ARG 57 - H LEU 93 lone 2 71 - 3 - 3.0/453=1 Peak 1235 from nnoeabs.peaks (0.76, 7.09, 119.22 ppm; 3.63 A): 3 out of 7 assignments used, quality = 0.96: * QD2 LEU 93 + H LEU 93 OK 81 100 - 81 - 4.7=45, 2.1/4505=15...(13) QD1 LEU 91 + H LEU 93 OK 67 97 - 69 - 4.5/7612=10, 2.1/7589=9...(21) HG LEU 111 + H LEU 93 OK 38 100 - 38 - 4498=5, 4475/3.0=5...(13) QD1 LEU 84 - H LEU 93 OK 32 99 - 32 - 7481=6, 2.1/7479=5...(11) QD2 LEU 111 - H LEU 93 OK 27 78 - 34 - 4498=4, 2.1/4498=4...(12) QG2 ILE 63 - H LEU 93 OK 23 99 - 23 - 3.2/7131=4, 7123/4.6=3...(7) QG2 VAL 66 - H LEU 93 OK 15 87 - 18 - 2.1/7594=2, 4.0/450=2...(6) Peak 1236 from nnoeabs.peaks (0.83, 7.09, 119.22 ppm; 3.92 A): 2 out of 9 assignments used, quality = 0.97: * QD1 LEU 93 + H LEU 93 OK 88 100 - 88 - 4.7=57, 4506/3.0=17...(20) QD2 LEU 91 + H LEU 93 OK 73 95 - 77 - 4.5/7612=12, 7589=11...(21) QD2 LEU 55 - H LEU 93 OK 37 85 - 44 - 2.1/7003=10, 2.1/8640=7...(13) QD2 LEU 114 - H LEU 93 OK 34 76 - 45 - 7948=16, 2.1/6981=8...(12) HG13 ILE 22 - H LEU 93 OK 21 98 - 22 - 8476/3.8=3, 4476/3.0=2...(5) QG1 VAL 115 - H LEU 93 OK 17 100 - 17 - 7965/3.8=3, 4476/3.0=2...(4) QD1 LEU 59 - H LEU 93 OK 17 95 - 18 - 4490/3.8=2, 2.1/1233=2...(6) HB2 ASN 118 - H LEU 93 OK 12 99 - 12 - 4.0/7612=3, 448/4.6=1 QD1 ILE 22 - H LEU 93 poor 9 63 - 15 - 6442/3.8=1, ~4476=1, 4476/3.0=1 Peak 1237 from nnoeabs.peaks (8.54, 8.54, 123.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 94 + H GLU 94 OK 100 100 - 100 Peak 1238 from nnoeabs.peaks (4.27, 8.54, 123.99 ppm; 3.39 A): 1 out of 12 assignments used, quality = 1.00: * HA GLU 94 + H GLU 94 OK 100 100 - 100 - 3.0=100 HA LEU 58 - H GLU 94 OK 17 87 - 20 - 4512=3, 3.0/462=3...(8) HA GLU 64 - H GLU 94 OK 13 96 - 14 - 4519/4.0=2, 4525/4.0=2...(8) HA GLN 103 - H GLU 94 OK 10 100 - 11 - 4519/4.0=2, 4525/4.0=1...(4) HA LEU 114 - H GLU 94 poor 9 73 - 12 - 3.0/462=2, 4.0/464=2...(4) HA LYS 65 - H GLU 94 lone 7 83 - 9 - 4.0/7614=1, 4.0/7614=1 HA3 GLY 48 - H GLU 94 lone 3 73 - 4 - 6895/4.6=1 HB3 SER 113 - H GLU 94 lone 2 63 - 4 - HB THR 19 - H GLU 94 lone 2 76 - 3 - HA ALA 122 - H GLU 94 lone 2 100 - 1 - HA ALA 89 - H GLU 94 lone 1 60 - 2 - HB2 SER 78 - H GLU 94 lone 1 60 - 1 - Peak 1239 from nnoeabs.peaks (2.00, 8.54, 123.99 ppm; 3.18 A): 6 out of 14 assignments used, quality = 0.85: * HB2 GLU 94 + H GLU 94 OK 70 100 - 70 - 4.0=49, 1.8/1240=14...(12) HB2 LEU 41 + H GLU 94 OK 16 92 - 18 - 2784=2, 1.8/2791=2...(8) HB3 ARG 53 + H GLU 94 OK 12 71 - 17 - 1.8/3129=3, 4518=3...(8) HB2 LEU 55 + H GLU 94 OK 12 100 - 12 - 7001/4.6=2, 3.1/464=2...(4) HG LEU 114 + H GLU 94 OK 11 87 - 13 - 2.1/464=3, 3.0/462=2...(4) HB3 PRO 68 + H GLU 94 OK 11 92 - 12 - 4514/3.0=2, 1.8/1241=2...(5) HG2 PRO 68 - H GLU 94 poor 9 87 - 10 - 2.3/1241=1, 4514/3.0=1 HB ILE 124 - H GLU 94 lone 8 92 - 9 - 2.1/7614=2, 8123/3.6=2 HB3 GLN 103 - H GLU 94 lone 8 92 - 9 - 4733/3.0=2, 3.0/1238=1, ~4725=1 HB2 LYS 46 - H GLU 94 lone 4 100 - 4 - HG2 PRO 60 - H GLU 94 lone 3 100 - 3 - HB2 MET 11 - H GLU 94 lone 2 96 - 3 - HG LEU 45 - H GLU 94 lone 2 68 - 3 - HB2 ARG 71 - H GLU 94 lone 1 73 - 1 - Peak 1240 from nnoeabs.peaks (1.95, 8.54, 123.99 ppm; 3.00 A): 5 out of 20 assignments used, quality = 0.78: * HB3 GLU 94 + H GLU 94 OK 64 100 - 64 - 4.0=41, 1.8/1239=13...(12) HB3 ARG 85 + H GLU 94 OK 13 99 - 13 - 4524=2, 1.8/4524=2...(6) HB2 ARG 85 + H GLU 94 OK 13 99 - 13 - 4524=2, 1.8/4524=2...(6) HB2 GLU 38 + H GLU 94 OK 12 96 - 12 - 3.0/6004=2, 2705=2...(5) HG LEU 58 + H GLU 94 OK 10 81 - 13 - 2.1/7614=2, 3.0/462=2...(4) HB2 GLU 64 - H GLU 94 lone 9 90 - 10 - 3.0/1238=2, 3.0/4530=1 HB3 GLU 64 - H GLU 94 lone 8 87 - 10 - 3.0/1238=2, 3.0/4530=1 HB2 LEU 41 - H GLU 94 poor 8 60 - 13 - 1.8/2791=2, 3.1/2805=2...(7) HG LEU 114 - H GLU 94 poor 7 68 - 10 - 2.1/464=2, 7598/3.6=2, 3.0/462=2 HG2 PRO 68 - H GLU 94 lone 5 68 - 8 - 2.3/1239=2, 2.3/1241=1 HB3 PRO 68 - H GLU 94 lone 5 60 - 8 - 1.8/1241=1, 2.3/1239=1 HB ILE 124 - H GLU 94 lone 4 60 - 6 - 2.1/7614=2, 7598/3.6=2 HB3 GLN 103 - H GLU 94 lone 4 60 - 6 - 3.0/1238=1, 4733/3.0=1 HB3 LYS 119 - H GLU 94 lone 3 97 - 3 - HG LEU 45 - H GLU 94 lone 2 87 - 2 - HB2 LYS 109 - H GLU 94 lone 2 90 - 2 - HB3 PRO 30 - H GLU 94 lone 2 99 - 2 - HB3 GLU 69 - H GLU 94 lone 1 97 - 1 - HB2 LEU 21 - H GLU 94 lone 1 65 - 1 - HB2 ARG 71 - H GLU 94 lone 1 83 - 1 - Peak 1241 from nnoeabs.peaks (2.24, 8.54, 123.99 ppm; 3.89 A): 3 out of 14 assignments used, quality = 0.92: * HG2 GLU 94 + H GLU 94 OK 81 100 - 81 - 4.9=50, 1.8/4536=16...(11) HG3 GLU 94 + H GLU 94 OK 46 57 - 81 - 4.9=50, 3.0/1239=15...(14) HG2 GLU 38 + H GLU 94 OK 23 100 - 23 - 4.0/6004=3, 3.0/1240=3...(11) HG3 GLU 38 - H GLU 94 OK 23 100 - 23 - 4.0/6004=3, 3.0/1240=3...(11) HG3 GLU 64 - H GLU 94 OK 17 100 - 17 - 4530=3, 3.9/1238=2...(9) HB2 PRO 68 - H GLU 94 OK 17 100 - 17 - 1.8/1239=3, 4522/4.0=2...(7) HB2 CYS 87 - H GLU 94 OK 12 57 - 21 - 7520/4.6=5, 7537/4.4=3...(6) HB2 PRO 70 - H GLU 94 lone 9 100 - 8 - 8320/3.6=3 HB3 LEU 117 - H GLU 94 lone 7 99 - 7 - HB3 PRO 37 - H GLU 94 lone 7 73 - 10 - 2.3/6002=2 HG3 GLU 28 - H GLU 94 lone 7 99 - 7 - 4530=1 HG2 GLU 28 - H GLU 94 lone 7 98 - 7 - 4530=1 HG2 GLU 56 - H GLU 94 lone 5 99 - 5 - HG3 GLU 15 - H GLU 94 lone 3 96 - 3 - Peak 1242 from nnoeabs.peaks (2.27, 8.54, 123.99 ppm; 3.63 A): 5 out of 11 assignments used, quality = 0.92: * HG3 GLU 94 + H GLU 94 OK 76 100 - 77 - 4.9=40, 3.0/1239=13...(15) HG2 GLU 94 + H GLU 94 OK 42 57 - 74 - 4.9=40, 1.8/4536=14...(11) HB2 CYS 87 + H GLU 94 OK 28 100 - 28 - 7520/4.6=7, 7537/4.4=4...(10) HG3 GLU 38 + H GLU 94 OK 11 63 - 18 - 4.0/6004=2, 3.0/1240=2...(8) HG2 GLU 38 + H GLU 94 OK 11 60 - 18 - 4.0/6004=2, 3.0/1240=2...(7) HG3 GLN 105 - H GLU 94 lone 9 95 - 10 - 7599/3.6=2, 7596/4.6=2...(4) HG2 GLN 105 - H GLU 94 lone 9 93 - 10 - 7599/3.6=2, 7596/4.6=2...(4) HB VAL 120 - H GLU 94 poor 8 60 - 13 - 7599/3.6=3, 7991/8171=2...(4) HB2 PRO 70 - H GLU 94 lone 4 71 - 6 - 8320/3.6=2 HG2 GLU 56 - H GLU 94 lone 3 76 - 4 - HG3 GLU 15 - H GLU 94 lone 3 87 - 3 - Peak 1243 from nnoeabs.peaks (8.40, 8.40, 115.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 95 + H THR 95 OK 100 100 - 100 Peak 1244 from nnoeabs.peaks (4.55, 8.40, 115.99 ppm; 3.63 A): 1 out of 7 assignments used, quality = 1.00: * HA THR 95 + H THR 95 OK 100 100 - 100 - 3.0=100 HA ASN 79 - H THR 95 OK 34 100 - 34 - 4547/4.1=5, 4551/4.0=5...(12) HA GLU 82 - H THR 95 OK 11 100 - 11 - 4551/4.0=2, 472/4.6=1...(4) HA LEU 27 - H THR 95 lone 5 95 - 5 - HA ASN 99 - H THR 95 lone 5 99 - 5 - HB THR 121 - H THR 95 lone 2 96 - 2 - HA GLU 69 - H THR 95 lone 1 57 - 2 - Peak 1245 from nnoeabs.peaks (3.89, 8.40, 115.99 ppm; 4.22 A): 1 out of 14 assignments used, quality = 1.00: * HB THR 95 + H THR 95 OK 100 100 - 100 - 4.1=100 HB3 ASN 79 - H THR 95 OK 45 99 - 45 - 4544/3.0=9, 3.0/1244=8...(12) HA ARG 53 - H THR 95 OK 16 100 - 16 - 3.0/465=4, 3121/4.6=2...(7) HD2 PRO 68 - H THR 95 OK 13 76 - 18 - 473/4.6=3, 2.3/467=3...(6) HD3 PRO 68 - H THR 95 OK 12 71 - 17 - 2.3/467=3, 3.0/467=3...(6) HB3 SER 112 - H THR 95 lone 3 100 - 3 - HB2 SER 112 - H THR 95 lone 3 100 - 3 - HA ILE 34 - H THR 95 lone 3 93 - 3 - HA2 GLY 2 - H THR 95 lone 2 93 - 2 - HA3 GLY 2 - H THR 95 lone 2 93 - 2 - HB THR 62 - H THR 95 lone 2 71 - 2 - HB2 SER 13 - H THR 95 lone 1 85 - 2 - HA THR 33 - H THR 95 lone 1 60 - 2 - HB THR 33 - H THR 95 lone 1 63 - 2 - Peak 1246 from nnoeabs.peaks (0.97, 8.40, 115.99 ppm; 3.44 A): 3 out of 8 assignments used, quality = 0.83: * QG2 THR 95 + H THR 95 OK 78 100 - 78 - 4.0=64, 4545/3.0=20...(7) QD1 LEU 101 + H THR 95 OK 12 97 - 13 - 4545/3.0=3, 474/4.6=2...(5) QD2 LEU 58 + H THR 95 OK 11 85 - 13 - 7614/4.6=2, 4545/3.0=2...(6) HG3 LYS 65 - H THR 95 lone 6 99 - 6 - 7614/4.6=1, 4545/3.0=1 HG2 LYS 65 - H THR 95 lone 6 99 - 6 - 7614/4.6=1, 4545/3.0=1 QD1 LEU 58 - H THR 95 lone 6 65 - 10 - 2.1/468=2, 4.0/466=2...(5) QG2 ILE 124 - H THR 95 lone 6 89 - 7 - 7614/4.6=2, 2.1/467=1 QG1 VAL 18 - H THR 95 lone 5 97 - 5 - 4545/3.0=1 Peak 1247 from nnoeabs.peaks (7.39, 7.39, 117.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 96 + H PHE 96 OK 100 100 - 100 Peak 1248 from nnoeabs.peaks (4.81, 7.39, 117.52 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + H PHE 96 OK 100 100 - 100 - 2.9=100 HA TYR 67 - H PHE 96 OK 27 92 - 29 - 4562/3.6=5, 4569/3.6=5...(10) Peak 1249 from nnoeabs.peaks (3.52, 7.39, 117.52 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PHE 96 + H PHE 96 OK 100 100 - 100 - 3.6=100 HA LEU 84 + H PHE 96 OK 55 90 - 61 - 3.9/7477=23, 3.9/7630=12...(11) HB2 PHE 83 - H PHE 96 OK 22 100 - 22 - 7628/4.1=4, 3.0/7641=3...(8) HB3 SER 44 - H PHE 96 lone 4 85 - 5 - HB2 ASP 47 - H PHE 96 lone 4 68 - 5 - 477/4.4=3 Peak 1250 from nnoeabs.peaks (2.93, 7.39, 117.52 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PHE 96 + H PHE 96 OK 100 100 - 100 - 3.6=100 HE3 LYS 32 - H PHE 96 OK 21 99 - 21 - 4564/3.6=4, 4592/4.5=3...(9) HE2 LYS 32 - H PHE 96 OK 21 99 - 21 - 4564/3.6=4, 4592/4.5=3...(9) HG3 GLU 82 - H PHE 96 OK 12 89 - 14 - 4.1/472=2, 4592/4.5=2...(6) HB2 ASN 106 - H PHE 96 lone 2 63 - 3 - Peak 1253 from nnoeabs.peaks (7.27, 7.39, 117.52 ppm; 3.63 A): 3 out of 7 assignments used, quality = 0.89: * QD PHE 96 + H PHE 96 OK 79 100 - 79 - 4.5=52, 7617/3.6=17...(13) QE PHE 96 + H PHE 96 OK 39 76 - 52 - 6.5=17, ~4560=7...(11) HE ARG 57 + H PHE 96 OK 16 100 - 16 - 4574/3.6=3, 4567/3.6=2...(8) H VAL 26 - H PHE 96 poor 10 85 - 11 - 7617/3.6=1, 4567/3.6=1...(6) HE ARG 71 - H PHE 96 lone 6 93 - 6 - HD1 TRP 20 - H PHE 96 lone 4 89 - 4 - HZ PHE 40 - H PHE 96 lone 4 71 - 5 - Peak 1254 from nnoeabs.peaks (9.21, 9.21, 119.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 97 + H ASP 97 OK 100 100 - 100 Peak 1255 from nnoeabs.peaks (4.84, 9.21, 119.92 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 97 + H ASP 97 OK 100 100 - 100 - 3.0=100 HA TYR 67 - H ASP 97 OK 12 81 - 15 - 4596/4.4=2, 4562/4.3=2...(7) Peak 1256 from nnoeabs.peaks (2.79, 9.21, 119.92 ppm; 3.34 A): 2 out of 3 assignments used, quality = 0.79: * HB2 ASP 97 + H ASP 97 OK 77 100 - 77 - 3.9=61, 1.8/1257=30...(6) HB2 ASN 108 + H ASP 97 OK 10 100 - 10 - 484/4.6=4, 4598/3.0=3...(4) HB2 CYS 76 - H ASP 97 lone 1 63 - 2 - Peak 1257 from nnoeabs.peaks (2.60, 9.21, 119.92 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.82: * HB3 ASP 97 + H ASP 97 OK 79 100 - 79 - 3.9=60, 1.8/1256=30...(8) HB3 ASP 47 + H ASP 97 OK 13 96 - 14 - 4599/3.0=5, 1.8/477=3...(4) Peak 1258 from nnoeabs.peaks (9.21, 9.21, 128.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 98 + H ALA 98 OK 100 100 - 100 Peak 1259 from nnoeabs.peaks (4.13, 9.21, 128.57 ppm; 3.67 A): 1 out of 12 assignments used, quality = 1.00: * HA ALA 98 + H ALA 98 OK 100 100 - 100 - 3.0=100 HA ASN 108 - H ALA 98 OK 31 99 - 31 - 3.0/484=7, 4608=6...(12) HA PHE 83 - H ALA 98 OK 12 97 - 13 - 4612/2.9=2, ~8361=2...(5) HA ILE 63 - H ALA 98 lone 7 100 - 7 - 3.2/7661=2 HA ILE 124 - H ALA 98 lone 7 100 - 7 - 4612/2.9=1 HB2 SER 113 - H ALA 98 lone 6 90 - 7 - 7927/4702=2 HA ARG 57 - H ALA 98 lone 5 76 - 7 - HA PRO 37 - H ALA 98 lone 5 99 - 5 - HA GLU 28 - H ALA 98 lone 4 81 - 5 - HB3 SER 78 - H ALA 98 lone 4 97 - 4 - HA3 GLY 25 - H ALA 98 lone 3 76 - 4 - 3.6/7658=1 HB3 SER 72 - H ALA 98 lone 2 100 - 2 - Peak 1260 from nnoeabs.peaks (1.42, 9.21, 128.57 ppm; 3.05 A): 1 out of 14 assignments used, quality = 1.00: * QB ALA 98 + H ALA 98 OK 100 100 - 100 - 2.9=100 HB3 LEU 101 - H ALA 98 lone 8 90 - 9 - 4610/3.0=1, ~6173=1, 488/4.6=1 HB3 LEU 91 - H ALA 98 lone 8 99 - 8 - 3.1/7661=2 HB VAL 110 - H ALA 98 poor 6 60 - 10 - ~7668=2, ~7670=1...(5) HB2 LEU 51 - H ALA 98 lone 5 100 - 5 - QB ALA 122 - H ALA 98 lone 4 97 - 4 - QB ALA 89 - H ALA 98 lone 3 89 - 4 - HB3 LEU 45 - H ALA 98 lone 2 65 - 3 - HB2 LEU 27 - H ALA 98 lone 2 68 - 3 - HD2 LYS 65 - H ALA 98 lone 1 83 - 2 - HD3 LYS 65 - H ALA 98 lone 1 83 - 2 - HG LEU 59 - H ALA 98 lone 1 81 - 2 - HB3 GLU 75 - H ALA 98 lone 1 65 - 2 - HG LEU 24 - H ALA 98 lone 1 65 - 1 - Peak 1261 from nnoeabs.peaks (8.79, 8.79, 113.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 99 + H ASN 99 OK 100 100 - 100 Peak 1262 from nnoeabs.peaks (4.56, 8.79, 113.48 ppm; 3.62 A): 1 out of 8 assignments used, quality = 1.00: * HA ASN 99 + H ASN 99 OK 100 100 - 100 - 3.0=100 HA ASN 79 - H ASN 99 OK 27 97 - 28 - 3.0/1265=5, 4627/4.1=4...(11) HA LEU 27 - H ASN 99 OK 16 81 - 19 - 3.0/1266=3, 4627/4.1=2...(9) HA GLU 82 - H ASN 99 OK 11 96 - 12 - 3.6/1265=2, ~7655=1...(4) HA THR 95 - H ASN 99 lone 6 99 - 6 - HA ASP 47 - H ASN 99 lone 4 76 - 5 - 3.0/7675=2 HB THR 121 - H ASN 99 lone 4 100 - 4 - HA GLU 69 - H ASN 99 lone 3 78 - 4 - Peak 1263 from nnoeabs.peaks (2.84, 8.79, 113.48 ppm; 3.13 A): 6 out of 10 assignments used, quality = 0.88: * HB2 ASN 99 + H ASN 99 OK 72 100 - 72 - 4.1=45, 1.8/4626=23...(8) HB3 PHE 107 + H ASN 99 OK 21 100 - 21 - 4620=5, 4616/3.0=3...(9) HB2 ASN 79 + H ASN 99 OK 17 100 - 17 - 3.0/1262=3, 4616/3.0=3...(8) HB3 TYR 67 + H ASN 99 OK 14 100 - 14 - 3.0/8699=3, 4616/3.0=2...(4) HB2 TYR 67 + H ASN 99 OK 14 100 - 14 - 3.0/8699=3, 4616/3.0=2...(4) HB2 CYS 76 + H ASN 99 OK 12 78 - 15 - 7331/3.0=5, ~7332=4...(5) HB2 ASP 36 - H ASN 99 lone 2 100 - 2 - HG CYS 52 - H ASN 99 lone 2 97 - 2 - HE3 LYS 119 - H ASN 99 lone 1 81 - 1 - HE2 LYS 119 - H ASN 99 lone 1 78 - 1 - Peak 1264 from nnoeabs.peaks (2.72, 8.79, 113.48 ppm; 3.39 A): 3 out of 4 assignments used, quality = 0.88: * HB3 ASN 99 + H ASN 99 OK 81 100 - 81 - 4.1=58, 1.8/4620=21...(9) HB3 ASN 108 + H ASN 99 OK 29 100 - 29 - 4617/3.0=5, 3.0/5824=4...(10) HB3 ASN 106 + H ASN 99 OK 14 100 - 14 - 4617/3.0=3, 492/4.6=2...(6) HE3 LYS 65 - H ASN 99 lone 3 78 - 4 - Peak 1265 from nnoeabs.peaks (7.83, 8.79, 113.48 ppm; 4.24 A): 4 out of 5 assignments used, quality = 0.90: * HD21 ASN 99 + H ASN 99 OK 81 100 - 81 - 5.5=46, 3.5/4626=27...(7) H ASN 79 + H ASN 99 OK 30 97 - 31 - 3.0/1262=6, 4630/4.1=5...(9) H PHE 83 + H ASN 99 OK 16 85 - 19 - 8662/3.5=4, 1683/3.0=2...(7) H GLY 25 + H ASN 99 OK 12 97 - 12 - 6479/5.5=4, 4630/4.1=2 HD21 ASN 106 - H ASN 99 poor 10 89 - 11 - 3.5/1264=4, 686/4.1=3 Peak 1266 from nnoeabs.peaks (6.76, 8.79, 113.48 ppm; 4.61 A): 3 out of 6 assignments used, quality = 0.95: * HD22 ASN 99 + H ASN 99 OK 89 100 - 89 - 5.5=59, 1.7/671=35...(8) HZ PHE 107 + H ASN 99 OK 38 99 - 38 - 2.2/1723=8, 4619/3.0=6...(12) H LEU 27 + H ASN 99 OK 27 100 - 27 - 4619/3.0=6, 6540/5.5=6...(7) QE TYR 67 - H ASN 99 OK 16 68 - 23 - 4695/4.1=4, 5.6/8699=4...(10) H VAL 110 - H ASN 99 poor 10 65 - 15 - ~8360=3, 6197/3.6=3...(6) HE21 GLN 42 - H ASN 99 lone 5 100 - 5 - 4619/3.0=1 Peak 1267 from nnoeabs.peaks (8.22, 8.22, 121.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 100 + H ASP 100 OK 100 100 - 100 H MET 11 + H MET 11 OK 86 86 - 100 Peak 1268 from nnoeabs.peaks (4.35, 8.22, 121.30 ppm; 3.71 A): 2 out of 16 assignments used, quality = 1.00: * HA ASP 100 + H ASP 100 OK 100 100 - 100 - 2.9=100 HA MET 11 + H MET 11 OK 83 83 - 100 - 2.9=100 HA ASP 100 - H MET 11 OK 37 94 - 39 - 4632=11, 3.6/495=6...(11) HA PHE 40 - H ASP 100 OK 27 95 - 29 - 2737/3.8=6, 3.0/4636=5...(10) HA MET 11 - H ASP 100 OK 26 92 - 29 - 3.0/8595=4, 3.0/8594=4...(12) HA CYS 76 - H ASP 100 OK 18 99 - 18 - 3.0/1270=3, 3.0/491=2...(7) HA GLN 105 - H ASP 100 OK 17 63 - 28 - ~7689=6, ~7695=6...(10) HA GLN 105 - H MET 11 poor 6 55 - 12 - 1851/4.1=2, 1845/4.1=1 HB THR 116 - H MET 11 lone 6 74 - 8 - 1851/4.1=2, 5903/4.6=1 HA CYS 76 - H MET 11 lone 6 93 - 6 - HA PHE 40 - H MET 11 lone 5 86 - 6 - 3.0/4636=1 HB THR 17 - H ASP 100 lone 4 76 - 5 - 2.1/6346=2 HB THR 116 - H ASP 100 lone 3 83 - 3 - HB THR 17 - H MET 11 lone 2 67 - 4 - 2.1/6346=3 HA SER 35 - H ASP 100 lone 1 71 - 2 - HA SER 35 - H MET 11 lone 1 62 - 2 - Peak 1269 from nnoeabs.peaks (2.89, 8.22, 121.30 ppm; 3.77 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ASP 100 + H ASP 100 OK 100 100 - 100 - 3.8=100 HB2 PHE 40 - H ASP 100 OK 36 100 - 36 - 4636=8, 4634/2.9=7...(9) HB2 ASN 106 - H ASP 100 OK 35 99 - 36 - 7805/2.9=7, 7803/3.8=7...(9) HB2 ASP 100 - H MET 11 OK 26 94 - 28 - 1.8/4640=7, 3.0/4632=7...(7) HB3 ASN 12 - H ASP 100 OK 22 97 - 22 - 8419/4.6=7, 1885/4.6=4...(7) HB2 ASN 106 - H MET 11 poor 10 91 - 11 - 7805/2.9=2, 1.8/492=2...(4) HB2 PHE 40 - H MET 11 lone 7 94 - 8 - 4636=2, 794/4.6=1 HB3 ASN 12 - H MET 11 lone 3 90 - 3 - 8419/1502=1 HE2 LYS 32 - H ASP 100 lone 1 63 - 2 - HE3 LYS 32 - H ASP 100 lone 1 60 - 2 - HE2 LYS 32 - H MET 11 lone 0 55 - 1 - HE3 LYS 32 - H MET 11 lone 0 52 - 1 - Peak 1270 from nnoeabs.peaks (3.12, 8.22, 121.30 ppm; 3.77 A): 1 out of 14 assignments used, quality = 1.00: * HB3 ASP 100 + H ASP 100 OK 100 100 - 100 - 3.8=100 HB3 ASP 100 - H MET 11 OK 29 94 - 31 - 4640=8, 3.0/4632=7...(8) HB3 CYS 76 - H ASP 100 OK 26 100 - 26 - 7332/3.6=8, 3987/2.9=4...(9) HB2 PHE 107 - H ASP 100 OK 22 100 - 22 - 1.8/491=4, 498/4.6=4...(7) HD3 ARG 57 - H ASP 100 OK 18 99 - 18 - 4635/2.9=4, 2.9/7685=2...(7) HB3 CYS 52 - H MET 11 lone 6 94 - 6 - ~1843=2, 1.8/790=2, 3119/5.1=1 HB3 CYS 52 - H ASP 100 lone 6 100 - 6 - HB3 CYS 76 - H MET 11 lone 5 94 - 6 - HD3 ARG 81 - H ASP 100 lone 5 93 - 6 - 7676/4.6=1 HB2 PHE 107 - H MET 11 lone 4 93 - 4 - HD3 ARG 57 - H MET 11 lone 4 91 - 4 - HD3 ARG 53 - H MET 11 lone 4 72 - 6 - 1824/3.6=2, 3175/4.4=2 HD3 ARG 53 - H ASP 100 lone 4 81 - 4 - HD3 ARG 81 - H MET 11 lone 2 85 - 2 - Peak 1271 from nnoeabs.peaks (6.97, 6.97, 115.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 101 + H LEU 101 OK 100 100 - 100 Peak 1272 from nnoeabs.peaks (4.49, 6.97, 115.79 ppm; 3.78 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 101 + H LEU 101 OK 100 100 - 100 - 3.0=100 HA PRO 70 - H LEU 101 OK 29 99 - 30 - 2.3/1273=5, 3805/4.0=4...(11) HA LEU 91 - H LEU 101 OK 24 93 - 26 - 4375/4.0=4, 4673/4.7=3...(11) HA PRO 30 - H LEU 101 OK 23 97 - 24 - 8245/4.0=5, 4673/4.7=3...(10) HA ARG 71 - H LEU 101 OK 16 99 - 16 - 4673/4.7=3, 4659/4.0=2...(6) HA SER 90 - H LEU 101 lone 4 63 - 6 - HA PRO 60 - H LEU 101 lone 2 73 - 3 - HB THR 23 - H LEU 101 lone 2 76 - 2 - Peak 1273 from nnoeabs.peaks (2.10, 6.97, 115.79 ppm; 3.60 A): 3 out of 11 assignments used, quality = 0.94: * HB2 LEU 101 + H LEU 101 OK 88 100 - 88 - 4.0=72, 3.1/1277=13...(14) HB3 PRO 70 + H LEU 101 OK 31 100 - 31 - 3817/3.0=5, 7257/4.0=5...(12) HG LEU 21 + H LEU 101 OK 24 89 - 27 - 3.0/1277=4, 2122/4.7=3...(11) HB2 GLU 15 - H LEU 101 OK 13 95 - 14 - 4.0/1728=3, 4646/3.0=2...(6) HB2 GLN 105 - H LEU 101 OK 10 76 - 14 - 7696/3.6=6, 7782/4.3=4 HB2 ARG 57 - H LEU 101 poor 9 63 - 14 - 7696/3.6=2, 3.5/498=2 HB2 LEU 114 - H LEU 101 lone 9 87 - 10 - 4646/3.0=1, 4660/4.0=1 HG3 GLU 69 - H LEU 101 lone 7 98 - 7 - HB3 GLN 16 - H LEU 101 lone 6 83 - 8 - HB2 GLN 16 - H LEU 101 lone 6 81 - 8 - HG2 GLU 64 - H LEU 101 lone 2 63 - 3 - 5.0/7159=1 Peak 1274 from nnoeabs.peaks (1.44, 6.97, 115.79 ppm; 3.57 A): 3 out of 17 assignments used, quality = 0.94: * HB3 LEU 101 + H LEU 101 OK 88 100 - 88 - 4.0=70, 1.8/1273=15...(11) QB ALA 98 + H LEU 101 OK 36 90 - 40 - 3.5/1728=12, 7566=6...(11) HB3 LEU 91 + H LEU 101 OK 25 97 - 26 - 4387/3.0=5, 8364/4.7=4...(11) HB3 LEU 45 - H LEU 101 OK 18 97 - 19 - 6840/4.7=5, 3.1/6849=4...(7) HD2 LYS 65 - H LEU 101 OK 16 100 - 16 - 2.9/1276=3, 2.9/1276=3...(8) HD3 LYS 65 - H LEU 101 OK 16 100 - 16 - 2.9/1276=3, 2.9/1276=3...(8) HB2 LEU 51 - H LEU 101 OK 14 85 - 17 - 3.1/7699=3, 4682/4.7=2...(7) HB3 GLU 75 - H LEU 101 OK 10 97 - 10 - 7318/3.0=2, 7315/4.0=2, ~7319=2 QB ALA 14 - H LEU 101 poor 9 68 - 13 - 3.7/1728=4, 6316=3 HG3 ARG 57 - H LEU 101 poor 7 63 - 10 - 2.9/498=2, 3.0/6726=1 HG3 LYS 31 - H LEU 101 lone 7 73 - 9 - 4.7/1504=1 HD2 LYS 46 - H LEU 101 lone 6 85 - 8 - 502/4.6=1 QB ALA 89 - H LEU 101 lone 6 100 - 6 - 7566=1 HG2 LYS 119 - H LEU 101 lone 5 81 - 6 - HG LEU 24 - H LEU 101 lone 5 97 - 5 - HB2 LEU 93 - H LEU 101 lone 4 68 - 6 - 7610/4.7=1 QB ALA 122 - H LEU 101 lone 2 68 - 3 - Peak 1275 from nnoeabs.peaks (1.62, 6.97, 115.79 ppm; 4.45 A): 2 out of 19 assignments used, quality = 0.96: * HG LEU 101 + H LEU 101 OK 93 100 - 93 - 4.9=74, 2.1/1277=23...(10) HB3 GLN 42 + H LEU 101 OK 40 89 - 45 - 1.8/6773=9, 3.0/6779=8...(12) HG2 PRO 30 - H LEU 101 OK 30 99 - 30 - 2381/3.0=4, 8249/4.7=4...(12) HG LEU 51 - H LEU 101 OK 25 92 - 28 - 2.1/7699=6, 3090/4.0=4...(10) HG3 ARG 85 - H LEU 101 OK 20 68 - 29 - 3.0/7503=8, 4.0/8708=7...(6) HD3 LYS 32 - H LEU 101 OK 17 98 - 17 - 2.9/7729=4, 4648/3.0=2...(9) HD2 LYS 32 - H LEU 101 OK 17 98 - 17 - 2.9/7729=4, 4648/3.0=2...(9) HD2 LYS 31 - H LEU 101 OK 15 100 - 15 - 4648/3.0=2, 4662/4.0=2...(8) HD3 LYS 31 - H LEU 101 OK 15 100 - 15 - 4648/3.0=2, 4662/4.0=2...(8) HG2 ARG 53 - H LEU 101 OK 15 98 - 16 - 4671/4.7=2, 4665=2...(7) HB3 LYS 32 - H LEU 101 OK 13 83 - 16 - 3.0/7729=4, 4648/3.0=1...(6) HD3 LYS 119 - H LEU 101 lone 8 78 - 10 - 8036/4.7=2 HD2 LYS 119 - H LEU 101 lone 7 76 - 10 - 8036/4.7=2 HB2 LEU 59 - H LEU 101 lone 5 100 - 5 - HG12 ILE 63 - H LEU 101 lone 5 89 - 5 - 3.7/1729=1 HB ILE 34 - H LEU 101 lone 4 63 - 7 - HB3 LEU 126 - H LEU 101 lone 3 90 - 3 - HB2 LEU 126 - H LEU 101 lone 3 89 - 3 - HG LEU 126 - H LEU 101 lone 2 73 - 3 - Peak 1276 from nnoeabs.peaks (0.99, 6.97, 115.79 ppm; 3.95 A): 3 out of 9 assignments used, quality = 0.94: * QD1 LEU 101 + H LEU 101 OK 89 100 - 89 - 4.7=59, 2.1/1277=19...(16) HG2 LYS 65 + H LEU 101 OK 24 100 - 24 - 4649/3.0=5, 4663/4.0=3...(10) HG3 LYS 65 + H LEU 101 OK 24 100 - 24 - 4649/3.0=5, 4663/4.0=3...(10) HB3 LEU 27 - H LEU 101 OK 17 81 - 21 - 3.0/1727=3, 4.3/1504=2...(8) QG2 THR 95 - H LEU 101 OK 16 97 - 17 - 3.2/1727=3, 7619/4703=2...(8) QD2 LEU 58 - H LEU 101 OK 16 99 - 16 - 4649/3.0=2, 4663/4.0=2...(8) QD1 LEU 58 - H LEU 101 OK 15 90 - 16 - 4649/3.0=2, 4663/4.0=2...(7) QG1 VAL 18 - H LEU 101 OK 14 100 - 14 - 4649/3.0=2, 4663/4.0=2...(6) QG2 ILE 124 - H LEU 101 lone 6 63 - 10 - 3.2/1729=2, 4663/4.0=1...(5) Peak 1277 from nnoeabs.peaks (1.03, 6.97, 115.79 ppm; 4.00 A): 2 out of 5 assignments used, quality = 0.93: * QD2 LEU 101 + H LEU 101 OK 90 100 - 90 - 4.7=61, 2.1/4672=19...(14) HB3 LEU 21 + H LEU 101 OK 30 87 - 35 - 4650/3.0=6, 4657/4.0=6...(10) QG1 VAL 120 - H LEU 101 OK 23 100 - 23 - 4650/3.0=4, 4664/4.0=4...(9) HB3 LEU 27 - H LEU 101 OK 15 71 - 22 - 3.0/1727=3, 505/4.6=3...(9) QG2 THR 33 - H LEU 101 lone 5 83 - 5 - Peak 1278 from nnoeabs.peaks (8.48, 8.48, 119.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 102 + H TYR 102 OK 100 100 - 100 Peak 1279 from nnoeabs.peaks (4.05, 8.48, 119.10 ppm; 3.91 A): 1 out of 8 assignments used, quality = 1.00: * HA TYR 102 + H TYR 102 OK 100 100 - 100 - 2.9=100 HA LYS 109 - H TYR 102 OK 31 99 - 31 - 4699/4.0=4, 4693/4.0=4...(11) HD3 PRO 37 - H TYR 102 OK 29 100 - 29 - 4.8/1505=5, 3.6/5997=3...(11) HA GLN 16 - H TYR 102 OK 17 93 - 18 - 1934=2, 3.0/501=2...(7) HA LEU 55 - H TYR 102 OK 12 97 - 13 - 507/4.6=1, 4711/4.5=1...(5) HA SER 112 - H TYR 102 lone 7 96 - 7 - 4699/4.0=1 HA ALA 14 - H TYR 102 lone 6 71 - 9 - 7701/4.9=1, 3.6/1430=1 HA SER 44 - H TYR 102 lone 6 81 - 8 - Peak 1280 from nnoeabs.peaks (3.04, 8.48, 119.10 ppm; 3.63 A): 3 out of 4 assignments used, quality = 0.94: * HB2 TYR 102 + H TYR 102 OK 87 100 - 87 - 4.0=72, 1.8/1281=19...(9) HE3 LYS 109 + H TYR 102 OK 29 92 - 31 - 4688/2.9=6, 1.8/1281=4...(12) HE2 LYS 109 + H TYR 102 OK 29 92 - 31 - 4688/2.9=6, 1.8/1281=4...(12) HD2 ARG 85 - H TYR 102 lone 8 100 - 8 - 4688/2.9=2, 4712/4.5=1 Peak 1281 from nnoeabs.peaks (3.00, 8.48, 119.10 ppm; 3.63 A): 5 out of 7 assignments used, quality = 0.94: * HB3 TYR 102 + H TYR 102 OK 88 100 - 88 - 4.0=72, 1.8/1280=21...(9) HB2 ASN 12 + H TYR 102 OK 20 93 - 22 - 6284/4.6=4, 3.5/499=4...(9) HE2 LYS 109 + H TYR 102 OK 18 63 - 29 - 1.8/1280=7, 4689/2.9=4...(12) HE3 LYS 109 + H TYR 102 OK 18 63 - 29 - 1.8/1280=7, 4689/2.9=4...(12) HA VAL 110 + H TYR 102 OK 14 92 - 15 - 4689/2.9=3, 4610/4.5=3...(6) HE3 LYS 31 - H TYR 102 poor 7 65 - 11 - 3.0/503=1, 3.0/503=1, 3.8/2425=1 HE2 LYS 31 - H TYR 102 poor 7 65 - 11 - 3.0/503=1, 3.0/503=1, 3.8/2425=1 Peak 1283 from nnoeabs.peaks (7.22, 8.48, 119.10 ppm; 4.12 A): 2 out of 6 assignments used, quality = 0.96: * QD TYR 102 + H TYR 102 OK 94 100 - 94 - 4.5=76, 4691/2.9=23...(16) QE PHE 40 + H TYR 102 OK 36 100 - 36 - 4691/2.9=4, 4703/4.0=4...(14) H LYS 65 - H TYR 102 OK 33 98 - 34 - 4691/2.9=5, 7719/3.6=4...(14) QE PHE 96 - H TYR 102 OK 29 78 - 37 - 4704/4.6=7, 7727/4.9=7...(11) QD TYR 67 - H TYR 102 OK 11 76 - 15 - 7719/3.6=3, 8152/4.9=2...(8) H VAL 26 - H TYR 102 OK 11 68 - 16 - 6493/4.9=4, 7720/4.6=2...(5) Peak 1284 from nnoeabs.peaks (7.89, 7.89, 110.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 103 + H GLN 103 OK 100 100 - 100 Peak 1285 from nnoeabs.peaks (4.27, 7.89, 110.72 ppm; 3.54 A): 1 out of 11 assignments used, quality = 1.00: * HA GLN 103 + H GLN 103 OK 100 100 - 100 - 2.9=100 HA LYS 65 - H GLN 103 OK 18 90 - 20 - 3.0/511=5, 4733/4.0=3...(9) HA GLU 94 - H GLN 103 OK 13 100 - 14 - 4733/4.0=2, 4725/4.0=2...(6) HA GLU 64 - H GLN 103 OK 11 90 - 13 - 3.6/511=4, 4749/5.0=1...(6) HA LEU 114 - H GLN 103 OK 11 83 - 13 - 4733/4.0=2, 4725/4.0=1...(6) HB THR 19 - H GLN 103 poor 7 65 - 10 - 2.1/7767=2, 5963/3.6=2 HA LEU 58 - H GLN 103 lone 5 78 - 7 - HB2 SER 78 - H GLN 103 lone 4 71 - 6 - 3.9/7765=2 HB3 SER 113 - H GLN 103 lone 4 73 - 5 - 6216/4.6=1 HA ALA 122 - H GLN 103 lone 3 100 - 3 - HA3 GLY 48 - H GLN 103 lone 2 63 - 3 - Peak 1286 from nnoeabs.peaks (2.37, 7.89, 110.72 ppm; 3.80 A): 1 out of 7 assignments used, quality = 0.95: * HB2 GLN 103 + H GLN 103 OK 95 100 - 95 - 4.0=83, 3.0/4740=23...(11) HG2 MET 11 - H GLN 103 OK 28 99 - 29 - 4718/2.9=6, 4734/4.0=6...(10) HG2 GLU 15 - H GLN 103 OK 14 100 - 13 - 4718/2.9=2, 8190/3.6=2...(8) HG2 PRO 70 - H GLN 103 OK 12 76 - 16 - 4724=4, 3.8/1735=2...(7) HB VAL 18 - H GLN 103 lone 9 93 - 9 - 4718/2.9=2, 4734/4.0=1 HG3 GLN 16 - H GLN 103 lone 5 71 - 7 - 4.0/507=1, 1967/3.6=1 HB3 ASN 118 - H GLN 103 lone 4 85 - 4 - Peak 1287 from nnoeabs.peaks (1.98, 7.89, 110.72 ppm; 3.46 A): 5 out of 14 assignments used, quality = 0.94: * HB3 GLN 103 + H GLN 103 OK 88 100 - 88 - 4.0=63, 3.0/4740=19...(13) HB2 LYS 46 + H GLN 103 OK 25 92 - 28 - 4.7/1288=5, 4.7/1289=4...(11) HB2 MET 11 + H GLN 103 OK 22 100 - 22 - 3.0/1286=4, 3.0/1737=4...(8) HB2 GLU 94 + H GLN 103 OK 11 92 - 12 - 4519/2.9=3, 2.9/1285=2, ~4525=1 HG LEU 114 + H GLN 103 OK 11 100 - 10 - 4719/2.9=2, 4.3/1285=1 HG LEU 45 - H GLN 103 lone 9 97 - 10 - 2.1/7768=3, 7747/3.6=2 HB2 LEU 41 - H GLN 103 lone 7 100 - 7 - 515/4.6=1 HB3 GLU 94 - H GLN 103 lone 6 60 - 10 - 2.9/1285=2, ~4519=2...(4) HB2 LEU 55 - H GLN 103 lone 5 87 - 6 - 3.0/507=1 HB ILE 124 - H GLN 103 lone 5 100 - 5 - HB2 ARG 71 - H GLN 103 lone 5 98 - 5 - 3.0/1735=1 HB3 PRO 68 - H GLN 103 lone 4 100 - 4 - HG2 PRO 68 - H GLN 103 lone 3 100 - 3 - HG2 PRO 60 - H GLN 103 lone 3 97 - 3 - Peak 1288 from nnoeabs.peaks (2.64, 7.89, 110.72 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.91: * HG2 GLN 103 + H GLN 103 OK 83 100 - 83 - 5.0=39, 1.8/4748=28...(11) HE2 LYS 46 + H GLN 103 OK 47 96 - 49 - 4720/2.9=10, 1.8/1289=10...(10) HB3 ASP 123 - H GLN 103 lone 3 83 - 4 - 4720/2.9=1 Peak 1289 from nnoeabs.peaks (2.52, 7.89, 110.72 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.93: * HG3 GLN 103 + H GLN 103 OK 85 100 - 85 - 5.0=40, 1.8/4740=28...(13) HE3 LYS 46 + H GLN 103 OK 43 83 - 52 - 1.8/1288=13, 4721/2.9=9...(12) HG2 GLU 82 + H GLN 103 OK 23 100 - 22 - 4721/2.9=4, 4737/4.0=3...(8) Peak 1292 from nnoeabs.peaks (7.47, 7.47, 107.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 104 + H GLY 104 OK 100 100 - 100 Peak 1293 from nnoeabs.peaks (3.71, 7.47, 107.96 ppm; 3.37 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 104 + H GLY 104 OK 100 100 - 100 - 3.0=100 HD3 PRO 30 - H GLY 104 poor 9 73 - 12 - 3.6/8568=4, 4760/3.0=2 HB2 TRP 20 - H GLY 104 lone 4 98 - 4 - 4760/3.0=1 HA3 GLY 86 - H GLY 104 lone 2 99 - 2 - HB3 SER 90 - H GLY 104 lone 1 85 - 1 - HA GLU 73 - H GLY 104 lone 1 60 - 1 - Peak 1294 from nnoeabs.peaks (3.86, 7.47, 107.96 ppm; 3.47 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 104 + H GLY 104 OK 100 100 - 100 - 3.0=100 HA THR 33 - H GLY 104 OK 13 100 - 13 - 2.9/1507=3, 4758/3.0=2...(6) HB THR 33 - H GLY 104 lone 9 99 - 9 - 4.0/1507=2, 2579/4.7=2 HA LEU 77 - H GLY 104 lone 9 87 - 10 - 3.6/1507=2, 7770/4.6=2...(4) HA GLU 15 - H GLY 104 lone 7 99 - 7 - 4.1/514=1, 7771/3.6=1 HB2 SER 35 - H GLY 104 lone 7 100 - 7 - 4.5/512=2, 7771/3.6=1 HA THR 19 - H GLY 104 lone 5 95 - 5 - 7771/3.6=1 HB3 ASN 79 - H GLY 104 lone 3 63 - 5 - 3.5/1507=1 HB2 SER 13 - H GLY 104 lone 3 92 - 3 - HA LYS 119 - H GLY 104 lone 2 76 - 3 - HA THR 116 - H GLY 104 lone 2 68 - 2 - Peak 1295 from nnoeabs.peaks (8.09, 8.09, 117.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 105 + H GLN 105 OK 100 100 - 100 Peak 1296 from nnoeabs.peaks (4.38, 8.09, 117.34 ppm; 3.33 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 105 + H GLN 105 OK 100 100 - 100 - 2.9=100 HA ASP 100 - H GLN 105 OK 22 63 - 36 - 7689=10, 7695/4.0=6...(8) HA MET 11 - H GLN 105 OK 11 95 - 12 - 3.0/7781=3, 4762=2, 4771/4.0=1 HA LEU 93 - H GLN 105 OK 10 100 - 10 - 4771/4.0=2, 4779/4.0=1...(4) HA CYS 76 - H GLN 105 poor 8 78 - 11 - 3.6/1480=2, 6099=1, 2.9/1649=1 HB THR 116 - H GLN 105 lone 7 99 - 7 - HA SER 35 - H GLN 105 lone 4 100 - 4 - Peak 1297 from nnoeabs.peaks (2.08, 8.09, 117.34 ppm; 3.73 A): 1 out of 15 assignments used, quality = 0.92: * HB2 GLN 105 + H GLN 105 OK 92 100 - 92 - 4.0=78, 1.8/1298=24...(11) HB2 ARG 57 - H GLN 105 OK 14 100 - 14 - 1.8/1298=3, 4764/2.9=2...(6) HB2 GLN 16 - H GLN 105 OK 13 100 - 13 - 4764/2.9=2, 3.0/1299=2...(7) HB3 GLN 16 - H GLN 105 OK 13 100 - 13 - 4764/2.9=2, 3.0/1299=2...(7) HG3 GLU 69 - H GLN 105 OK 12 93 - 13 - 3.0/1298=3, 4764/2.9=2...(5) HB3 PRO 70 - H GLN 105 OK 11 65 - 16 - ~8320=4, 2.3/7272=2...(6) HB3 GLU 38 - H GLN 105 lone 9 89 - 10 - 5550=2, 3.0/5548=1...(4) HB ILE 63 - H GLN 105 lone 6 95 - 7 - 3.0/1298=1 HB2 LEU 114 - H GLN 105 lone 5 100 - 5 - 3.0/7781=1 HG LEU 21 - H GLN 105 lone 5 99 - 5 - 4.3/5990=1 HB2 GLU 15 - H GLN 105 lone 4 97 - 4 - HG3 PRO 37 - H GLN 105 lone 2 65 - 3 - 3.8/5996=1 HB3 ARG 81 - H GLN 105 lone 2 71 - 3 - HB2 LEU 101 - H GLN 105 lone 2 76 - 2 - HG2 GLU 64 - H GLN 105 lone 2 100 - 2 - Peak 1298 from nnoeabs.peaks (1.82, 8.09, 117.34 ppm; 3.40 A): 3 out of 13 assignments used, quality = 0.86: * HB3 GLN 105 + H GLN 105 OK 81 100 - 81 - 4.0=59, 1.8/4770=16...(11) HB2 GLU 69 + H GLN 105 OK 14 92 - 16 - 4778=4, 4765/2.9=3...(5) HB3 ARG 57 + H GLN 105 OK 11 99 - 11 - 4765/2.9=2, 1.8/1297=2...(4) HG13 ILE 63 - H GLN 105 lone 6 100 - 6 - 4765/2.9=1 HG LEU 41 - H GLN 105 lone 6 93 - 6 - 3.0/7781=2, 5.2/1585=1 HG2 GLU 75 - H GLN 105 lone 5 100 - 5 - 3.6/6093=1 HG3 ARG 53 - H GLN 105 lone 4 98 - 4 - HB2 PRO 60 - H GLN 105 lone 3 92 - 4 - HG12 ILE 22 - H GLN 105 lone 2 60 - 4 - HG2 GLU 73 - H GLN 105 lone 2 83 - 3 - HG3 GLU 73 - H GLN 105 lone 2 81 - 3 - HB3 ARG 92 - H GLN 105 lone 2 96 - 2 - HB3 GLU 56 - H GLN 105 lone 1 68 - 1 - Peak 1299 from nnoeabs.peaks (2.28, 8.09, 117.34 ppm; 3.34 A): 3 out of 6 assignments used, quality = 0.92: * HG2 GLN 105 + H GLN 105 OK 70 100 - 70 - 5.0=29, 3.0/1298=14...(12) HG3 GLN 105 + H GLN 105 OK 70 100 - 70 - 5.0=29, 3.0/1298=14...(12) HB VAL 120 + H GLN 105 OK 10 92 - 11 - 3.8/1508=3, 4766/2.9=2...(4) HG2 GLN 16 - H GLN 105 poor 8 78 - 10 - 4766/2.9=2, 3.0/1297=2...(5) HG3 GLU 94 - H GLN 105 lone 3 93 - 3 - HB2 CYS 87 - H GLN 105 lone 1 93 - 2 - Peak 1300 from nnoeabs.peaks (2.28, 8.09, 117.34 ppm; 3.34 A): 3 out of 6 assignments used, quality = 0.92: * HG3 GLN 105 + H GLN 105 OK 70 100 - 70 - 5.0=29, 3.0/1298=14...(12) HG2 GLN 105 + H GLN 105 OK 70 100 - 70 - 5.0=29, 3.0/1298=14...(12) HB VAL 120 + H GLN 105 OK 10 90 - 11 - 3.8/1508=3, 4766/2.9=2...(4) HG2 GLN 16 - H GLN 105 poor 8 76 - 10 - 4766/2.9=2, 3.0/1297=2...(5) HG3 GLU 94 - H GLN 105 lone 3 95 - 3 - HB2 CYS 87 - H GLN 105 lone 1 95 - 2 - Peak 1303 from nnoeabs.peaks (8.63, 8.63, 115.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 106 + H ASN 106 OK 100 100 - 100 Peak 1304 from nnoeabs.peaks (4.65, 8.63, 115.99 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 106 + H ASN 106 OK 100 100 - 100 - 2.9=100 HA LEU 59 - H ASN 106 lone 4 73 - 5 - ~3404=1 HA ASP 123 - H ASN 106 lone 4 89 - 4 - HA HIS 10 - H ASN 106 lone 3 83 - 4 - Peak 1305 from nnoeabs.peaks (2.90, 8.63, 115.99 ppm; 3.86 A): 2 out of 7 assignments used, quality = 0.98: * HB2 ASN 106 + H ASN 106 OK 97 100 - 97 - 3.9=95, 4.5/1509=17...(8) HB2 ASP 100 + H ASN 106 OK 49 99 - 50 - 3.0/7690=16, 1.8/7786=9...(12) HB2 PHE 40 - H ASN 106 OK 13 99 - 13 - 7783/4.6=2, 4804/2.9=2...(7) HB3 ASN 12 - H ASN 106 lone 9 87 - 10 - 4804/2.9=2, 7782/4.1=2 HE2 LYS 32 - H ASN 106 lone 3 83 - 4 - HE3 LYS 32 - H ASN 106 lone 3 81 - 4 - HB3 PHE 96 - H ASN 106 lone 1 63 - 2 - Peak 1306 from nnoeabs.peaks (2.72, 8.63, 115.99 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 106 + H ASN 106 OK 100 100 - 100 - 3.9=100 HB3 ASN 108 - H ASN 106 OK 38 100 - 38 - 4815/2.9=10, 4814=9...(9) HB3 ASN 99 - H ASN 106 OK 30 100 - 30 - 8533/4.8=7, 8533/4.8=7...(10) HE3 LYS 65 - H ASN 106 lone 3 81 - 4 - Peak 1309 from nnoeabs.peaks (8.95, 8.95, 121.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 107 + H PHE 107 OK 100 100 - 100 Peak 1310 from nnoeabs.peaks (4.01, 8.95, 121.79 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 107 + H PHE 107 OK 100 100 - 100 - 3.0=100 HA ALA 14 - H PHE 107 OK 27 92 - 29 - 3.0/1510=5, 4615/4.5=5...(10) HA ARG 81 - H PHE 107 OK 23 93 - 24 - 4828/4.0=4, 4615/4.5=4...(10) HA LEU 117 - H PHE 107 OK 14 85 - 16 - 4615/4.5=2, 3.0/531=2...(9) HA THR 62 - H PHE 107 lone 6 96 - 6 - HA GLN 16 - H PHE 107 lone 2 68 - 3 - Peak 1311 from nnoeabs.peaks (3.11, 8.95, 121.79 ppm; 3.72 A): 2 out of 8 assignments used, quality = 0.94: * HB2 PHE 107 + H PHE 107 OK 92 100 - 92 - 4.0=78, 1.8/4834=24...(9) HD3 ARG 53 + H PHE 107 OK 33 90 - 36 - 3.0/5618=7, 3.6/5615=6...(12) HB3 ASP 100 - H PHE 107 OK 28 100 - 28 - 7803/4.5=6, 1.8/533=5...(9) HB3 CYS 52 - H PHE 107 OK 24 100 - 24 - 4.4/1462=6, 4.0/1617=5...(7) HD3 ARG 81 - H PHE 107 OK 24 85 - 28 - 2.9/1315=4, 4822/3.0=4...(11) HB3 CYS 76 - H PHE 107 OK 18 100 - 18 - 3.0/7809=3, 4822/3.0=2...(8) HD3 ARG 57 - H PHE 107 OK 11 95 - 11 - 7786/4.6=1, 4822/3.0=1...(5) HB3 HIS 10 - H PHE 107 lone 3 68 - 5 - Peak 1312 from nnoeabs.peaks (2.84, 8.95, 121.79 ppm; 3.74 A): 2 out of 10 assignments used, quality = 0.94: * HB3 PHE 107 + H PHE 107 OK 92 100 - 92 - 4.0=79, 1.8/4827=28...(8) HB2 ASN 99 + H PHE 107 OK 26 100 - 26 - 4834=7, 1.8/534=4...(9) HB3 TYR 67 - H PHE 107 OK 25 100 - 25 - 2.6/1315=5, 4823/3.0=4...(8) HB2 TYR 67 - H PHE 107 OK 25 100 - 25 - 2.6/1315=5, 4823/3.0=4...(8) HG CYS 52 - H PHE 107 OK 12 99 - 12 - 5.4/1617=4, 3.4/1311=3...(4) HB2 CYS 76 - H PHE 107 poor 10 71 - 14 - 3.0/7809=3, 1.8/1311=3...(6) HB2 ASN 79 - H PHE 107 lone 5 100 - 5 - HE3 LYS 119 - H PHE 107 lone 2 87 - 2 - HE2 LYS 119 - H PHE 107 lone 2 85 - 2 - HB2 ASP 36 - H PHE 107 lone 2 100 - 2 - Peak 1315 from nnoeabs.peaks (7.19, 8.95, 121.79 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 107 + H PHE 107 OK 100 100 - 100 - 4.5=100 QD TYR 67 - H PHE 107 OK 43 97 - 45 - 4826/3.0=10, 4833/4.0=8...(10) HE ARG 81 - H PHE 107 OK 37 99 - 38 - 4826/3.0=8, 4833/4.0=7...(11) H LYS 65 - H PHE 107 lone 5 71 - 8 - 4854/6.5=1, 4826/3.0=1 Peak 1316 from nnoeabs.peaks (8.84, 8.84, 116.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 108 + H ASN 108 OK 100 100 - 100 Peak 1317 from nnoeabs.peaks (4.14, 8.84, 116.35 ppm; 3.58 A): 1 out of 14 assignments used, quality = 1.00: * HA ASN 108 + H ASN 108 OK 100 100 - 100 - 3.0=100 HA ALA 98 - H ASN 108 OK 26 99 - 27 - 4862=6, 4869/4.0=4...(11) HB3 SER 78 - H ASN 108 lone 8 90 - 9 - 7361/4.5=1, 7362/1740=1 HA ILE 124 - H ASN 108 lone 7 100 - 7 - 8122/4.0=1 HA ILE 63 - H ASN 108 lone 6 100 - 6 - 7122/4.5=2 HA PRO 37 - H ASN 108 lone 5 100 - 5 - 545/4.6=1 HA SER 78 - H ASN 108 lone 4 71 - 6 - HB2 SER 113 - H ASN 108 lone 4 97 - 4 - HA ARG 57 - H ASN 108 lone 3 60 - 5 - HA GLU 28 - H ASN 108 lone 3 92 - 3 - HA PHE 83 - H ASN 108 lone 2 100 - 2 - HB3 SER 72 - H ASN 108 lone 2 100 - 2 - HA GLU 56 - H ASN 108 lone 1 68 - 1 - HA3 GLY 25 - H ASN 108 lone 1 60 - 1 - Peak 1318 from nnoeabs.peaks (2.79, 8.84, 116.35 ppm; 3.38 A): 1 out of 3 assignments used, quality = 0.77: * HB2 ASN 108 + H ASN 108 OK 77 100 - 77 - 4.0=60, 1.8/1319=18...(5) HB2 ASP 97 - H ASN 108 lone 9 100 - 9 - 4864/3.0=2, 4876/4.0=1...(5) HB2 CYS 76 - H ASN 108 lone 5 71 - 7 - 1.8/539=2, 3985/4.6=1 Peak 1319 from nnoeabs.peaks (2.73, 8.84, 116.35 ppm; 3.42 A): 3 out of 5 assignments used, quality = 0.93: * HB3 ASN 108 + H ASN 108 OK 83 100 - 83 - 4.0=62, 1.8/1318=31...(9) HB3 ASN 106 + H ASN 108 OK 51 100 - 51 - 3.0/7830=19, 4.5/537=12...(9) HB3 ASN 99 + H ASN 108 OK 22 100 - 22 - 1.8/540=4, 4865/3.0=3...(10) HE3 LYS 65 - H ASN 108 lone 4 71 - 6 - 4695/1740=1 HB2 ASP 123 - H ASN 108 lone 1 60 - 2 - Peak 1320 from nnoeabs.peaks (7.65, 8.84, 116.35 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.88: * HD21 ASN 108 + H ASN 108 OK 85 100 - 85 - 5.7=62, 3.5/1318=35...(5) H ALA 122 + H ASN 108 OK 19 100 - 19 - 4872/4.0=5, 4866/3.0=5...(5) Peak 1321 from nnoeabs.peaks (6.97, 8.84, 116.35 ppm; 4.94 A): 3 out of 4 assignments used, quality = 0.98: * HD22 ASN 108 + H ASN 108 OK 91 100 - 91 - 5.7=64, 3.5/1318=36...(10) QE PHE 107 + H ASN 108 OK 58 93 - 62 - 4825/3.6=16, 6.5/537=16...(12) H LEU 101 + H ASN 108 OK 49 100 - 49 - 4825/3.6=9, 4860/4.5=8...(10) HD22 ASN 12 - H ASN 108 poor 9 90 - 10 - 549/4.6=2, 4873/4.0=1...(4) Peak 1322 from nnoeabs.peaks (7.48, 7.48, 119.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 109 + H LYS 109 OK 100 100 - 100 Peak 1323 from nnoeabs.peaks (4.05, 7.48, 119.90 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 109 + H LYS 109 OK 100 100 - 100 - 3.0=100 HA TYR 102 - H LYS 109 OK 37 99 - 37 - 3.6/1506=7, 4891/4.0=4...(17) HA SER 112 - H LYS 109 OK 23 99 - 23 - ~6205=3, 551/4.7=3...(8) HD3 PRO 37 - H LYS 109 OK 18 98 - 18 - 4891/4.0=2, 4901/4.0=2...(8) HA LEU 55 - H LYS 109 OK 12 100 - 12 - 4901/4.0=2, 4891/4.0=2...(5) HA SER 44 - H LYS 109 OK 11 92 - 12 - 2.9/183=3, 4.6/2862=2, ~961=1 HA GLN 16 - H LYS 109 lone 5 83 - 6 - Peak 1324 from nnoeabs.peaks (1.94, 7.48, 119.90 ppm; 3.34 A): 5 out of 17 assignments used, quality = 0.93: * HB2 LYS 109 + H LYS 109 OK 83 100 - 83 - 4.0=57, 1.8/4900=19...(13) HG LEU 58 + H LYS 109 OK 34 100 - 34 - 3.0/1325=6, 3.0/1326=4...(14) HB3 ARG 85 + H LYS 109 OK 17 97 - 18 - 3.0/1326=2, 4882/3.0=2...(7) HB2 ARG 85 + H LYS 109 OK 17 97 - 18 - 3.0/1326=2, 4882/3.0=2...(7) HB3 LYS 119 + H LYS 109 OK 14 99 - 15 - 1.8/1325=3, 4882/3.0=2...(6) HB3 PRO 30 - H LYS 109 lone 8 97 - 8 - 4882/3.0=1, 4902/4.0=1 HB ILE 80 - H LYS 109 lone 4 92 - 5 - HB2 GLU 38 - H LYS 109 lone 4 100 - 4 - HB3 GLU 64 - H LYS 109 lone 3 100 - 3 - HB2 GLU 64 - H LYS 109 lone 3 100 - 3 - HB2 LEU 21 - H LYS 109 lone 2 97 - 2 - HB2 ARG 81 - H LYS 109 lone 2 60 - 4 - 3.0/1741=2 HB3 GLU 94 - H LYS 109 lone 1 90 - 2 - HB ILE 22 - H LYS 109 lone 1 63 - 2 - HB3 MET 11 - H LYS 109 lone 1 81 - 2 - HB3 GLU 69 - H LYS 109 lone 1 99 - 1 - HB3 GLU 73 - H LYS 109 lone 1 68 - 2 - Peak 1325 from nnoeabs.peaks (1.86, 7.48, 119.90 ppm; 3.19 A): 3 out of 13 assignments used, quality = 0.88: * HB3 LYS 109 + H LYS 109 OK 79 100 - 79 - 4.0=50, 1.8/4890=18...(14) HB2 LEU 58 + H LYS 109 OK 34 99 - 34 - 4883/3.0=5, 1.8/1326=5...(13) HB2 LYS 119 + H LYS 109 OK 12 85 - 14 - 1.8/1324=2, 4883/3.0=2...(6) HB3 LYS 31 - H LYS 109 lone 7 85 - 8 - 4883/3.0=1, 553/4.7=1 HG LEU 55 - H LYS 109 lone 6 87 - 6 - 4883/3.0=1 HG3 PRO 68 - H LYS 109 lone 5 100 - 5 - 4883/3.0=1 HB VAL 50 - H LYS 109 lone 4 85 - 5 - 3052/4.6=2, 4.0/544=1 HB3 GLU 28 - H LYS 109 lone 3 100 - 3 - HB2 ARG 92 - H LYS 109 lone 3 97 - 3 - HG12 ILE 22 - H LYS 109 lone 3 89 - 3 - HG LEU 84 - H LYS 109 lone 2 78 - 3 - HG3 GLU 73 - H LYS 109 lone 1 71 - 1 - HG2 GLU 73 - H LYS 109 lone 1 68 - 1 - Peak 1326 from nnoeabs.peaks (1.48, 7.48, 119.90 ppm; 3.72 A): 3 out of 14 assignments used, quality = 0.94: * HG2 LYS 109 + H LYS 109 OK 84 100 - 84 - 4.7=49, 1.8/1327=21...(14) HB3 LEU 58 + H LYS 109 OK 44 99 - 45 - 1.8/1325=9, 7058/3.0=6...(14) HG2 ARG 85 + H LYS 109 OK 27 87 - 31 - 4910=4, 4894/4.0=3...(13) HD2 LYS 46 - H LYS 109 OK 26 78 - 34 - 1.8/1327=7, 8574/3.0=4...(14) QB ALA 14 - H LYS 109 OK 19 92 - 21 - 2.9/544=5, 2.1/1741=5...(6) HG2 LYS 119 - H LYS 109 OK 13 83 - 16 - 2.9/1325=2, 2.9/1324=2...(8) HG3 LYS 31 - H LYS 109 OK 11 89 - 12 - 4910=2, 2.9/1325=1...(6) HG LEU 93 - H LYS 109 lone 5 96 - 5 - HB2 LEU 93 - H LYS 109 lone 5 92 - 5 - HG3 ARG 57 - H LYS 109 lone 5 95 - 5 - HG LEU 91 - H LYS 109 lone 4 98 - 4 - HB3 LEU 114 - H LYS 109 lone 3 83 - 4 - HB2 LEU 24 - H LYS 109 lone 2 68 - 3 - HG3 ARG 92 - H LYS 109 lone 2 63 - 3 - Peak 1327 from nnoeabs.peaks (1.55, 7.48, 119.90 ppm; 3.52 A): 4 out of 5 assignments used, quality = 0.90: * HG3 LYS 109 + H LYS 109 OK 81 100 - 81 - 4.7=42, 2.9/4900=16...(17) HD3 LYS 46 + H LYS 109 OK 27 81 - 34 - 4885/3.0=5, 4905/4.0=4...(14) HB3 LYS 65 + H LYS 109 OK 16 100 - 16 - 4885/3.0=3, 4895/4.0=3...(6) HB2 LYS 65 + H LYS 109 OK 16 100 - 16 - 4885/3.0=3, 4895/4.0=3...(6) HG12 ILE 124 - H LYS 109 lone 10 100 - 9 - 4885/3.0=1, 4905/4.0=1...(4) Peak 1328 from nnoeabs.peaks (1.76, 7.48, 119.90 ppm; 3.98 A): 2 out of 16 assignments used, quality = 0.97: * HD2 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.2=26, 3.0/1327=18...(22) HD3 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.2=26, 3.0/1327=18...(22) HB3 LYS 46 - H LYS 109 OK 37 97 - 38 - 3.5/1327=5, 4886/3.0=4...(15) HG2 GLN 42 - H LYS 109 OK 36 100 - 36 - 1.8/5571=5, 3.0/5568=4...(11) HB2 LEU 117 - H LYS 109 OK 15 97 - 15 - 7994/4.7=4, 3.0/1741=3...(5) HG LEU 117 - H LYS 109 OK 14 100 - 14 - 7996/4.7=3, 3.6/1741=2...(5) HB2 PRO 37 - H LYS 109 OK 14 73 - 19 - 3.0/1323=3, 2.3/545=3...(10) HG3 PRO 30 - H LYS 109 OK 13 100 - 13 - 2.3/1324=2, 4897/4.0=2...(6) HB2 ARG 53 - H LYS 109 lone 7 81 - 9 - 4.4/1742=2, 5615/1742=2 HB2 LEU 45 - H LYS 109 lone 7 98 - 7 - 6839/7724=1 HG3 ARG 71 - H LYS 109 lone 5 99 - 5 - HB2 LYS 32 - H LYS 109 lone 5 73 - 6 - HB2 GLU 75 - H LYS 109 lone 4 95 - 4 - HG2 ARG 71 - H LYS 109 lone 4 85 - 5 - HB VAL 66 - H LYS 109 lone 3 92 - 3 - HB2 LEU 91 - H LYS 109 lone 2 63 - 3 - Peak 1329 from nnoeabs.peaks (1.77, 7.48, 119.90 ppm; 3.98 A): 2 out of 16 assignments used, quality = 0.97: * HD3 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.2=26, 3.0/1327=18...(22) HD2 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.2=26, 3.0/1327=18...(22) HG2 GLN 42 - H LYS 109 OK 36 99 - 36 - 1.8/5571=5, 3.0/5568=4...(11) HB3 LYS 46 - H LYS 109 OK 35 93 - 38 - 3.5/1327=5, 4886/3.0=4...(15) HB2 PRO 37 - H LYS 109 OK 16 81 - 20 - 3.0/1323=3, 2.3/545=3...(10) HB2 LEU 117 - H LYS 109 OK 15 99 - 15 - 7994/4.7=4, 3.0/1741=3...(5) HG LEU 117 - H LYS 109 OK 14 100 - 14 - 7996/4.7=3, 3.6/1741=2...(5) HG3 PRO 30 - H LYS 109 OK 13 100 - 13 - 4897/4.0=2, 2.3/1324=2...(6) HB2 LEU 45 - H LYS 109 lone 7 96 - 7 - 6839/7724=1 HB2 ARG 53 - H LYS 109 lone 6 73 - 8 - 4.4/1742=2, 5615/1742=2 HG3 ARG 71 - H LYS 109 lone 5 98 - 5 - HB2 LYS 32 - H LYS 109 lone 5 81 - 6 - HB2 GLU 75 - H LYS 109 lone 4 97 - 4 - HG2 ARG 71 - H LYS 109 lone 4 78 - 5 - HB VAL 66 - H LYS 109 lone 3 87 - 3 - HB3 GLU 56 - H LYS 109 lone 1 65 - 2 - Peak 1330 from nnoeabs.peaks (3.02, 7.48, 119.90 ppm; 4.54 A): 2 out of 5 assignments used, quality = 0.97: HE3 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.9=28, 3.5/1327=20...(16) * HE2 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.9=28, 3.5/1327=20...(16) HB2 TYR 102 - H LYS 109 OK 44 92 - 48 - 4.6/1506=8, 3.0/1323=7...(16) HD2 ARG 85 - H LYS 109 OK 35 97 - 36 - 4909/4.0=5, 4899/4.0=5...(14) HB3 TYR 102 - H LYS 109 OK 28 63 - 45 - 4.6/1506=8, 3.0/1323=7...(14) Peak 1331 from nnoeabs.peaks (3.02, 7.48, 119.90 ppm; 4.54 A): 2 out of 5 assignments used, quality = 0.97: * HE3 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.9=28, 3.5/1327=20...(16) HE2 LYS 109 + H LYS 109 OK 84 100 - 84 - 6.9=28, 3.5/1327=20...(16) HB2 TYR 102 - H LYS 109 OK 44 92 - 48 - 4.6/1506=8, 3.0/1323=7...(16) HD2 ARG 85 - H LYS 109 OK 35 97 - 36 - 4909/4.0=5, 4899/4.0=5...(14) HB3 TYR 102 - H LYS 109 OK 28 63 - 45 - 4.6/1506=8, 3.0/1323=7...(14) Peak 1332 from nnoeabs.peaks (6.79, 6.79, 121.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 110 + H VAL 110 OK 100 100 - 100 Peak 1333 from nnoeabs.peaks (2.98, 6.79, 121.06 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 110 + H VAL 110 OK 100 100 - 100 - 3.0=100 HB3 TYR 102 - H VAL 110 OK 27 92 - 30 - 2.5/7850=5, 4699/3.6=4...(11) HB2 ASN 12 - H VAL 110 OK 18 100 - 18 - 4986/4.0=4, 4981/4.0=3...(8) HE2 LYS 31 - H VAL 110 OK 15 96 - 16 - 4976/4.0=2, 4986/4.0=2...(7) HE3 LYS 31 - H VAL 110 OK 15 96 - 16 - 4976/4.0=2, 4986/4.0=2...(7) Peak 1334 from nnoeabs.peaks (1.39, 6.79, 121.06 ppm; 3.34 A): 5 out of 10 assignments used, quality = 0.94: * HB VAL 110 + H VAL 110 OK 82 100 - 82 - 4.0=60, 2.1/1336=35...(5) HB2 LEU 111 + H VAL 110 OK 44 100 - 44 - 1.8/7884=11, 3.8/1513=11...(10) QG2 THR 121 + H VAL 110 OK 20 89 - 23 - 8073=5, 5308/4.7=4...(6) HG2 LYS 31 + H VAL 110 OK 12 76 - 16 - 2.9/553=2, 1.8/554=2...(5) HB3 LEU 93 + H VAL 110 OK 11 97 - 11 - 1339/4.7=1, 4982/4.0=1...(4) HB2 LEU 27 - H VAL 110 lone 8 100 - 8 - 4982/4.0=1, 4987/4.0=1 HB2 LEU 51 - H VAL 110 poor 8 68 - 11 - 3.1/1335=3, 3079/4.0=2...(5) QB ALA 98 - H VAL 110 poor 7 60 - 11 - 2.1/6197=2, 7668/4.0=2...(4) HG LEU 59 - H VAL 110 lone 5 99 - 5 - QB ALA 122 - H VAL 110 lone 2 85 - 3 - Peak 1335 from nnoeabs.peaks (0.14, 6.79, 121.06 ppm; 3.97 A): 1 out of 3 assignments used, quality = 0.99: * QG1 VAL 110 + H VAL 110 OK 99 100 - 99 - 4.0=96, 2.1/1336=44...(7) QD2 LEU 84 - H VAL 110 OK 33 100 - 33 - 4973/3.0=8, 4988/4.0=7...(7) QD2 LEU 51 - H VAL 110 OK 21 83 - 25 - 4973/3.0=6, 4988/4.0=5...(6) Peak 1336 from nnoeabs.peaks (0.01, 6.79, 121.06 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.77: * QG2 VAL 110 + H VAL 110 OK 77 100 - 77 - 4.0=47, 2.1/4975=14...(9) Peak 1337 from nnoeabs.peaks (7.70, 7.70, 118.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 111 + H LEU 111 OK 100 100 - 100 Peak 1338 from nnoeabs.peaks (3.61, 7.70, 118.61 ppm; 3.86 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 111 + H LEU 111 OK 100 100 - 100 - 2.9=100 HA VAL 115 - H LEU 111 OK 41 97 - 42 - ~6224=7, 4998/3.8=6...(15) HD2 PRO 70 - H LEU 111 OK 17 100 - 17 - 4998/3.8=2, 7879/4.3=2...(7) HA2 GLY 39 - H LEU 111 OK 11 100 - 11 - 6011/4.6=2, 4998/3.8=1 HA GLU 75 - H LEU 111 OK 11 78 - 13 - 3.6/1759=3, 8330/4.7=1 HA ILE 80 - H LEU 111 poor 9 60 - 15 - 7879/4.3=4, ~6224=3, 4998/3.8=1 HA LYS 46 - H LEU 111 lone 4 57 - 7 - 7879/4.3=1 HA2 GLY 48 - H LEU 111 lone 2 71 - 3 - Peak 1339 from nnoeabs.peaks (1.39, 7.70, 118.61 ppm; 3.32 A): 2 out of 8 assignments used, quality = 0.97: * HB2 LEU 111 + H LEU 111 OK 86 100 - 86 - 3.8=64, 1.8/1340=20...(16) HB VAL 110 + H LEU 111 OK 76 100 - 76 - 4.4=41, 2.1/564=23...(11) QG2 THR 121 - H LEU 111 OK 42 95 - 44 - 5308=14, 3.2/5300=4...(16) HB3 LEU 93 - H LEU 111 OK 26 99 - 26 - 4992/2.9=3, 5006/3.8=3...(11) HB2 LEU 27 - H LEU 111 OK 12 99 - 12 - 4992/2.9=1, 4982/4.3=1...(4) HG2 LYS 31 - H LEU 111 poor 9 85 - 11 - 2433/3.5=1, 3.8/561=1, 3.8/561=1 QB ALA 122 - H LEU 111 poor 8 76 - 10 - 2.9/624=6 HG LEU 59 - H LEU 111 lone 8 96 - 8 - Peak 1340 from nnoeabs.peaks (1.21, 7.70, 118.61 ppm; 3.33 A): 5 out of 7 assignments used, quality = 0.92: * HB3 LEU 111 + H LEU 111 OK 85 100 - 85 - 3.8=65, 1.8/4997=17...(14) QG2 VAL 18 + H LEU 111 OK 18 99 - 18 - 4993/2.9=3, 568/4.6=3...(7) HG LEU 77 + H LEU 111 OK 14 83 - 17 - 4993/2.9=3, 5000/3.8=3...(8) HB2 LEU 77 + H LEU 111 OK 12 76 - 16 - 4993/2.9=3, 5004=3...(7) HB3 LEU 24 + H LEU 111 OK 10 100 - 10 - 4993/2.9=2, 5000/3.8=1...(4) HG13 ILE 124 - H LEU 111 lone 6 68 - 9 - 4993/2.9=1, 5000/3.8=1, ~8418=1 HG2 LYS 32 - H LEU 111 lone 6 100 - 6 - 4993/2.9=1 Peak 1341 from nnoeabs.peaks (0.75, 7.70, 118.61 ppm; 4.18 A): 2 out of 8 assignments used, quality = 0.98: * HG LEU 111 + H LEU 111 OK 90 100 - 90 - 5.3=49, 3.0/1340=21...(17) QD2 LEU 111 + H LEU 111 OK 82 87 - 94 - 4.7=73, 3.1/1340=21...(17) QD2 LEU 93 - H LEU 111 OK 33 100 - 33 - 4994/2.9=4, 5001/3.8=4...(13) QD1 LEU 91 - H LEU 111 OK 32 99 - 32 - 2.1/1342=7, ~4995=4...(11) QD1 LEU 84 - H LEU 111 OK 30 100 - 30 - 2.1/563=10, 4272/4.3=6...(8) QD1 LEU 114 - H LEU 111 OK 26 65 - 40 - ~8418=6, 4996/2.9=5...(14) QG2 ILE 63 - H LEU 111 OK 18 97 - 18 - 3.2/1750=2, 5001/3.8=2...(7) QG2 VAL 66 - H LEU 111 lone 4 78 - 6 - Peak 1342 from nnoeabs.peaks (0.80, 7.70, 118.61 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.95: * QD1 LEU 111 + H LEU 111 OK 92 100 - 92 - 4.7=66, 5019/2.9=20...(15) QD2 LEU 91 + H LEU 111 OK 31 85 - 37 - 4995/2.9=7, 5002/3.8=6...(12) QD1 ILE 22 - H LEU 111 OK 29 100 - 29 - 6443/3.8=8, 5002/3.8=6...(8) HB2 ASN 118 - H LEU 111 OK 22 71 - 31 - 3.0/6262=10, 4.6/1792=8...(7) QG2 VAL 66 - H LEU 111 lone 5 73 - 6 - 4995/2.9=1 Peak 1343 from nnoeabs.peaks (0.73, 7.70, 118.61 ppm; 4.27 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 111 + H LEU 111 OK 96 100 - 96 - 4.7=77, 3.1/1340=21...(17) HG LEU 111 + H LEU 111 OK 79 87 - 91 - 5.3=52, 3.0/1340=22...(17) QD1 LEU 114 + H LEU 111 OK 45 98 - 46 - 7875/4.3=7, ~8418=6...(15) QD1 LEU 91 - H LEU 111 OK 32 97 - 33 - 2.1/1342=7, ~4995=4...(11) QD1 LEU 84 - H LEU 111 OK 28 92 - 30 - 2.1/563=10, 7875/4.3=6...(7) QD2 LEU 93 - H LEU 111 OK 25 78 - 32 - ~6222=4, 3.1/1339=4...(12) QG2 ILE 63 - H LEU 111 OK 10 63 - 16 - 3.2/1750=2, ~6220=2...(7) QD2 LEU 54 - H LEU 111 lone 6 68 - 8 - 2.1/6975=1, 7875/4.3=1 Peak 1344 from nnoeabs.peaks (8.03, 8.03, 112.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 112 + H SER 112 OK 100 100 - 100 Peak 1345 from nnoeabs.peaks (4.06, 8.03, 112.26 ppm; 3.12 A): 1 out of 9 assignments used, quality = 1.00: * HA SER 112 + H SER 112 OK 100 100 - 100 - 3.0=100 HA LYS 109 - H SER 112 OK 28 99 - 28 - 6205=7, 3.6/1754=7...(6) HA LEU 55 - H SER 112 OK 13 100 - 13 - 1748/4.6=1, 6077/4.6=1 HA SER 44 - H SER 112 OK 12 98 - 13 - 2.9/1602=3, 4.6/6817=2, ~6225=1 HA TYR 102 - H SER 112 lone 7 96 - 7 - 3.0/1753=2, 1748/4.6=1 HA VAL 120 - H SER 112 lone 7 73 - 9 - 3.6/565=3, 5923/4.6=2 HD3 PRO 37 - H SER 112 lone 5 92 - 6 - 3.6/1756=1 HA LYS 31 - H SER 112 lone 3 73 - 5 - HA GLN 16 - H SER 112 lone 3 68 - 5 - Peak 1346 from nnoeabs.peaks (3.89, 8.03, 112.26 ppm; 2.91 A): 2 out of 13 assignments used, quality = 0.86: HB3 SER 112 + H SER 112 OK 63 100 - 63 - 3.9=41, 1.8/5036=11...(9) * HB2 SER 112 + H SER 112 OK 63 100 - 63 - 3.9=41, 1.8/5036=11...(9) HA ALA 43 - H SER 112 poor 7 63 - 11 - 3.0/175=4, 2.1/6817=3...(4) HB3 ASN 79 - H SER 112 lone 6 98 - 6 - 4.5/7925=2 HB2 SER 13 - H SER 112 lone 3 78 - 4 - 7899/4.6=1 HA ARG 53 - H SER 112 lone 3 100 - 3 - HB THR 95 - H SER 112 lone 3 100 - 3 - HD2 PRO 68 - H SER 112 lone 1 83 - 2 - HD3 PRO 68 - H SER 112 lone 1 78 - 2 - HA ILE 34 - H SER 112 lone 1 97 - 1 - HB THR 62 - H SER 112 lone 1 78 - 1 - HA2 GLY 2 - H SER 112 lone 0 97 - 0 - HA3 GLY 2 - H SER 112 lone 0 97 - 0 - Peak 1347 from nnoeabs.peaks (3.89, 8.03, 112.26 ppm; 2.91 A): 2 out of 15 assignments used, quality = 0.86: * HB3 SER 112 + H SER 112 OK 63 100 - 63 - 3.9=41, 1.8/5036=11...(9) HB2 SER 112 + H SER 112 OK 63 100 - 63 - 3.9=41, 1.8/5036=11...(9) HA ALA 43 - H SER 112 poor 6 57 - 11 - 3.0/175=4, 2.1/6817=3...(4) HB3 ASN 79 - H SER 112 lone 6 99 - 6 - 4.5/7925=2 HB2 SER 13 - H SER 112 lone 3 83 - 4 - 7899/4.6=1 HA ARG 53 - H SER 112 lone 3 100 - 3 - HB THR 95 - H SER 112 lone 3 100 - 3 - HD2 PRO 68 - H SER 112 lone 1 78 - 2 - HD3 PRO 68 - H SER 112 lone 1 73 - 2 - HA ILE 34 - H SER 112 lone 1 95 - 1 - HA THR 33 - H SER 112 lone 1 57 - 1 - HB THR 62 - H SER 112 lone 1 73 - 1 - HB THR 33 - H SER 112 lone 1 60 - 1 - HA2 GLY 2 - H SER 112 lone 0 95 - 0 - HA3 GLY 2 - H SER 112 lone 0 95 - 0 - Peak 1348 from nnoeabs.peaks (7.58, 7.58, 117.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 113 + H SER 113 OK 100 100 - 100 H CYS 76 + H CYS 76 OK 80 80 - 100 Peak 1349 from nnoeabs.peaks (4.44, 7.58, 117.75 ppm; 3.21 A): 1 out of 12 assignments used, quality = 1.00: * HA SER 113 + H SER 113 OK 100 100 - 100 - 3.0=100 HA SER 113 - H CYS 76 OK 20 92 - 22 - 6232/2.9=5, 5044=4...(7) HA LYS 32 - H SER 113 lone 7 90 - 8 - HA SER 29 - H SER 113 lone 7 100 - 7 - 5049/4.0=1, 5053/4.0=1 HA LYS 32 - H CYS 76 lone 7 78 - 8 - 2.9/356=2, 2487/4.3=1 HA SER 90 - H SER 113 lone 5 73 - 7 - 3.0/1759=1 HA THR 121 - H SER 113 lone 4 60 - 7 - 3.0/1759=2 HA SER 29 - H CYS 76 lone 2 90 - 2 - HA PRO 60 - H SER 113 lone 2 63 - 2 - HA SER 90 - H CYS 76 lone 1 62 - 2 - HA THR 121 - H CYS 76 lone 1 50 - 2 - HA PRO 60 - H CYS 76 lone 1 52 - 1 - Peak 1350 from nnoeabs.peaks (4.15, 7.58, 117.75 ppm; 3.24 A): 7 out of 24 assignments used, quality = 0.86: * HB2 SER 113 + H SER 113 OK 67 100 - 67 - 4.0=53, 1.8/5052=18...(5) HB2 SER 113 + H CYS 76 OK 18 92 - 20 - 5048=5, 1.8/5052=5...(5) HA ILE 124 + H SER 113 OK 14 96 - 15 - 5046/3.0=2, 5054/4.0=2...(6) HA SER 78 + H SER 113 OK 13 92 - 14 - 2.9/1656=4, 5054/4.0=2...(5) HA PRO 37 + H CYS 76 OK 13 87 - 15 - 3.6/1479=2, 6096/3.6=2...(9) HA SER 78 + H CYS 76 OK 12 80 - 16 - 2.9/1656=7, ~1655=3...(4) HB3 SER 78 + H SER 113 OK 10 68 - 15 - 3.9/1656=3, 1.8/1351=3...(6) HA GLU 56 - H SER 113 lone 9 90 - 10 - 5633=2, 7024/3.0=1 HB3 SER 78 - H CYS 76 poor 9 57 - 15 - 3.9/1656=6, 6097/3.6=4...(4) HA PRO 37 - H SER 113 lone 7 97 - 7 - HA ILE 63 - H SER 113 lone 6 92 - 7 - 3.2/7124=1, 4.2/7129=1 HA ASN 108 - H SER 113 lone 6 97 - 6 - 6203/4.6=3 HA ALA 98 - H SER 113 lone 6 90 - 7 - 6203/4.6=2 HB3 SER 72 - H CYS 76 lone 5 81 - 6 - 3902/4.6=2, 6096/3.6=2 HA PHE 83 - H SER 113 lone 5 100 - 5 - HA PHE 83 - H CYS 76 lone 4 90 - 4 - HA ILE 63 - H CYS 76 lone 4 80 - 4 - HA GLU 28 - H SER 113 lone 3 100 - 3 - HA ILE 124 - H CYS 76 lone 3 84 - 4 - HA GLU 28 - H CYS 76 lone 3 90 - 3 - HA ASN 108 - H CYS 76 lone 3 87 - 3 - HB3 SER 72 - H SER 113 lone 2 93 - 3 - HA GLU 56 - H CYS 76 lone 2 78 - 3 - HA ALA 98 - H CYS 76 lone 2 78 - 3 - Peak 1351 from nnoeabs.peaks (4.30, 7.58, 117.75 ppm; 3.15 A): 7 out of 14 assignments used, quality = 0.89: * HB3 SER 113 + H SER 113 OK 63 100 - 63 - 4.0=49, 1.8/5048=17...(4) HA LEU 114 + H SER 113 OK 33 100 - 33 - 3.0/576=9, 3.6/1769=5...(9) HB3 SER 113 + H CYS 76 OK 18 92 - 19 - 5052=5, 1.8/5048=4...(6) HA LEU 114 + H CYS 76 OK 16 91 - 17 - 3.0/576=3, 6094/3.6=3...(6) HB2 SER 78 + H CYS 76 OK 14 92 - 16 - 6095/3.6=7, 3.9/1656=6...(4) HB2 SER 78 + H SER 113 OK 14 100 - 14 - 3.9/1656=3, 4037/4.0=2...(5) HA LYS 65 + H SER 113 OK 11 99 - 11 - 5674/4.6=3, 5051/4.0=2...(4) HA LYS 65 - H CYS 76 lone 7 88 - 8 - 6094/3.6=3, 3577/4.3=1 HA GLN 103 - H SER 113 lone 3 73 - 5 - HA GLU 94 - H SER 113 lone 2 63 - 3 - HA GLN 103 - H CYS 76 lone 2 62 - 3 - HA ALA 122 - H SER 113 lone 1 63 - 2 - HA GLU 94 - H CYS 76 lone 1 52 - 2 - HA ALA 122 - H CYS 76 lone 0 52 - 1 - Peak 1352 from nnoeabs.peaks (7.97, 7.97, 121.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 114 + H LEU 114 OK 100 100 - 100 H ALA 89 + H ALA 89 OK 78 78 - 100 Peak 1353 from nnoeabs.peaks (4.29, 7.97, 121.40 ppm; 3.41 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 114 + H LEU 114 OK 100 100 - 100 - 3.0=100 HB3 SER 113 + H LEU 114 OK 66 100 - 66 - 4.7=40, 1.8/5890=14...(13) HA LYS 65 - H LEU 114 OK 38 100 - 39 - 5674=10, 3.0/1472=5...(19) HA LEU 114 - H ALA 89 OK 19 90 - 21 - 5056=3, 3.6/1517=2...(8) HB2 SER 78 - H LEU 114 OK 18 100 - 18 - 4037/4.7=2, 5047/3.6=2...(11) HA LYS 65 - H ALA 89 OK 18 89 - 20 - 5674=5, 3.0/1472=3...(8) HB3 SER 113 - H ALA 89 OK 11 89 - 12 - 1.8/5890=3, 5891=2...(4) HA GLN 103 - H LEU 114 OK 10 83 - 12 - 3.0/1356=1, 5071/4.0=1...(4) HA GLU 94 - H LEU 114 poor 8 73 - 11 - 5071/4.0=1, 5085/4.4=1...(5) HB2 SER 78 - H ALA 89 lone 3 89 - 3 - HA ALA 122 - H LEU 114 lone 2 73 - 2 - HA ALA 122 - H ALA 89 lone 1 60 - 2 - HA GLN 103 - H ALA 89 lone 1 69 - 2 - HA GLU 94 - H ALA 89 lone 1 60 - 2 - Peak 1354 from nnoeabs.peaks (2.08, 7.97, 121.40 ppm; 3.41 A): 5 out of 28 assignments used, quality = 0.89: * HB2 LEU 114 + H LEU 114 OK 80 100 - 80 - 4.0=61, 3.1/5084=9...(11) HB2 LEU 114 + H ALA 89 OK 17 90 - 19 - 5063=3, 3.1/5084=3...(8) HB3 GLN 16 + H LEU 114 OK 14 100 - 14 - 5058/3.0=2, 5072/4.0=1...(6) HB2 GLN 16 + H LEU 114 OK 14 100 - 14 - 5058/3.0=2, 5072/4.0=1...(6) HB3 PRO 70 + H LEU 114 OK 11 78 - 14 - 5058/3.0=2, 3.0/1765=2...(6) HB2 ARG 57 - H LEU 114 lone 9 97 - 10 - 3.7/576=2, 3299/4.6=1 HB ILE 63 - H LEU 114 lone 8 87 - 10 - 2.1/7123=3, 3.2/7558=1 HG LEU 21 - H LEU 114 lone 8 100 - 8 - 5072/4.0=1, 5086/4.4=1 HB2 LEU 101 - H LEU 114 lone 7 87 - 8 - 7878/7866=1, 5086/4.4=1 HB2 GLU 15 - H LEU 114 lone 6 100 - 6 - 582/4.6=1 HB ILE 63 - H ALA 89 lone 6 73 - 8 - 2.1/7123=3, 3.2/7558=1 HG2 GLU 64 - H LEU 114 lone 4 97 - 4 - HB3 GLU 38 - H LEU 114 lone 4 78 - 5 - HG3 GLU 69 - H LEU 114 lone 4 98 - 4 - HB2 ARG 57 - H ALA 89 lone 4 85 - 4 - HB2 GLN 105 - H LEU 114 lone 3 100 - 3 - HB2 LEU 101 - H ALA 89 lone 2 73 - 3 - HG LEU 21 - H ALA 89 lone 2 90 - 3 - HB3 GLU 38 - H ALA 89 lone 2 65 - 3 - HG2 GLU 64 - H ALA 89 lone 2 85 - 2 - HB3 ARG 81 - H ALA 89 lone 2 46 - 4 - HB3 GLN 16 - H ALA 89 lone 2 90 - 2 - HB2 GLN 16 - H ALA 89 lone 2 90 - 2 - HB3 ARG 81 - H LEU 114 lone 2 57 - 3 - HB3 PRO 70 - H ALA 89 lone 1 65 - 2 - HB2 GLU 15 - H ALA 89 lone 1 89 - 1 - HG3 GLU 69 - H ALA 89 lone 1 86 - 1 - HB2 GLN 105 - H ALA 89 lone 1 89 - 1 - Peak 1355 from nnoeabs.peaks (1.50, 7.97, 121.40 ppm; 3.42 A): 4 out of 20 assignments used, quality = 0.92: * HB3 LEU 114 + H LEU 114 OK 80 100 - 80 - 4.0=61, 1.8/1354=13...(10) HG LEU 91 + H LEU 114 OK 29 97 - 30 - 2.1/5792=4, 5059/3.0=3...(13) HG LEU 91 + H ALA 89 OK 27 84 - 33 - 2.1/5792=5, 3.0/5790=4...(13) HG LEU 93 + H LEU 114 OK 20 99 - 20 - 2.1/8528=4, 5059/3.0=2...(9) HG3 ARG 92 - H LEU 114 OK 18 99 - 18 - 3.0/4422=2, 5059/3.0=2...(9) HB3 LEU 114 - H ALA 89 OK 17 90 - 19 - 5070=3, 1.8/5063=3...(8) HG2 ARG 92 - H LEU 114 OK 17 97 - 18 - 3.0/4422=2, 5059/3.0=2...(9) HG2 ARG 85 - H LEU 114 OK 15 100 - 15 - 3.0/7504=2, 7497=2...(7) HG LEU 93 - H ALA 89 OK 15 87 - 17 - 2.1/8528=4, 5.3/450=2...(5) HD3 LYS 46 - H LEU 114 OK 11 63 - 18 - 2.9/7559=2, 2.9/7559=2...(7) HG3 ARG 92 - H ALA 89 poor 10 87 - 12 - 3.9/4414=3, 3.0/4422=2...(5) HG2 ARG 92 - H ALA 89 poor 10 85 - 12 - 3.9/4414=3, 3.0/4422=2...(5) HB3 LEU 58 - H LEU 114 lone 9 95 - 9 - 5059/3.0=1, 5087/4.4=1 HG2 ARG 85 - H ALA 89 lone 8 90 - 9 - 4.1/6158=3, 5.0/7516=2...(4) HB3 LEU 58 - H ALA 89 lone 8 81 - 10 - 3362/2.9=1, 3361/4.5=1 HB2 LEU 24 - H LEU 114 lone 5 99 - 4 - HG2 LYS 109 - H LEU 114 lone 4 83 - 5 - 3.7/1763=1 HB2 LEU 24 - H ALA 89 lone 3 88 - 3 - HD3 LYS 46 - H ALA 89 lone 2 51 - 4 - HG2 LYS 109 - H ALA 89 lone 1 69 - 2 - Peak 1356 from nnoeabs.peaks (1.98, 7.97, 121.40 ppm; 3.18 A): 9 out of 28 assignments used, quality = 0.89: * HG LEU 114 + H LEU 114 OK 60 100 - 60 - 5.2=23, 2.1/5084=10...(13) HB3 PRO 68 + H LEU 114 OK 19 100 - 20 - 2.3/5077=2, ~6239=2...(7) HG2 PRO 68 + H LEU 114 OK 19 100 - 19 - 5077=3, 5060/3.0=2...(8) HB2 LYS 46 + H LEU 114 OK 17 87 - 20 - 2.9/7559=2, 2.9/7559=2...(9) HG LEU 114 + H ALA 89 OK 14 90 - 16 - 2.1/5084=3, 5077=3...(7) HB ILE 124 + H LEU 114 OK 13 100 - 13 - 7935/4.7=2, 7940/3.6=2...(5) HB2 LEU 41 + H LEU 114 OK 11 100 - 11 - 3.1/8412=2, 584/4.6=1 HB2 LEU 55 + H LEU 114 OK 11 81 - 14 - 3.0/1763=2, 3.1/1357=2...(5) HB3 GLN 103 + H LEU 114 OK 11 100 - 11 - 4733/3.0=2 HB2 GLU 94 - H LEU 114 lone 8 87 - 10 - 4519/3.0=1 HG LEU 45 - H LEU 114 lone 6 99 - 7 - HB3 GLU 94 - H LEU 114 lone 6 68 - 9 - HB2 LEU 41 - H ALA 89 lone 4 90 - 4 - HB2 LEU 55 - H ALA 89 lone 4 67 - 5 - HG2 PRO 60 - H LEU 114 lone 3 95 - 4 - HB ILE 124 - H ALA 89 lone 3 90 - 4 - HB2 MET 11 - H LEU 114 lone 3 99 - 3 - HB2 LYS 46 - H ALA 89 lone 3 73 - 4 - HB2 ARG 71 - H LEU 114 lone 3 99 - 3 - HG2 PRO 68 - H ALA 89 lone 3 90 - 3 - HB3 PRO 68 - H ALA 89 lone 3 90 - 3 - HG LEU 45 - H ALA 89 lone 2 87 - 3 - HB3 GLN 103 - H ALA 89 lone 1 90 - 1 - HB2 GLU 94 - H ALA 89 lone 1 73 - 1 - HG2 PRO 60 - H ALA 89 lone 1 81 - 1 - HB2 ARG 71 - H ALA 89 lone 1 88 - 1 - HB2 MET 11 - H ALA 89 lone 1 88 - 1 - HB3 GLU 94 - H ALA 89 lone 1 56 - 1 - Peak 1357 from nnoeabs.peaks (0.85, 7.97, 121.40 ppm; 3.56 A): 4 out of 16 assignments used, quality = 0.92: * QD2 LEU 114 + H LEU 114 OK 81 100 - 81 - 4.4=53, 5085/3.0=15...(12) QG1 VAL 115 + H LEU 114 OK 33 78 - 42 - 4.0/1517=11, 4.3/1764=7...(13) QD2 LEU 114 + H ALA 89 OK 23 90 - 25 - 5084=5, 7565/2.9=3...(8) QD1 LEU 93 + H LEU 114 OK 22 76 - 29 - 8525/3.6=4, 8528=3...(11) QD2 LEU 55 - H LEU 114 OK 22 100 - 22 - 5061/3.0=3, 5075/4.0=2...(9) HG13 ILE 80 - H LEU 114 OK 17 89 - 20 - 4090/4.6=5, 5.1/1517=3...(7) QD1 LEU 93 - H ALA 89 OK 16 62 - 26 - 7553/4.6=3, 8528=3...(9) HG13 ILE 22 - H LEU 114 OK 13 93 - 14 - 3.2/7558=1, 5061/3.0=1...(4) QD1 LEU 59 - H LEU 114 OK 13 97 - 13 - 5061/3.0=3, 5075/4.0=2 QD2 LEU 55 - H ALA 89 OK 12 89 - 14 - 7553/4.6=2, 7565/2.9=2...(4) HG13 ILE 22 - H ALA 89 OK 11 80 - 14 - 7553/4.6=2, 7565/2.9=2 HG13 ILE 80 - H ALA 89 poor 8 75 - 11 - 7565/2.9=2, 5.1/1517=1 QG1 VAL 115 - H ALA 89 poor 8 65 - 13 - 4.0/1517=2, 2.1/7558=1...(5) QD1 LEU 59 - H ALA 89 lone 5 85 - 6 - 7553/4.6=1 QD2 LEU 126 - H LEU 114 lone 3 83 - 3 - QD2 LEU 126 - H ALA 89 lone 2 69 - 3 - Peak 1358 from nnoeabs.peaks (0.72, 7.97, 121.40 ppm; 3.59 A): 4 out of 16 assignments used, quality = 0.93: * QD1 LEU 114 + H LEU 114 OK 80 100 - 80 - 4.4=54, 2.1/5084=13...(13) QD2 LEU 111 + H LEU 114 OK 35 98 - 36 - 4.0/6219=8, 2.1/7898=3...(17) QD1 LEU 91 + H LEU 114 OK 28 83 - 34 - 2.1/5792=5, 2.1/1355=3...(15) QD1 LEU 91 + H ALA 89 OK 25 69 - 37 - 2.1/5792=6, 4.5/1494=5...(13) QG1 VAL 66 - H LEU 114 OK 22 63 - 35 - 2.1/3675=6, 3670=6...(10) HG LEU 111 - H LEU 114 OK 22 65 - 33 - 4.3/6219=7, 4.9/1764=6...(12) QD1 LEU 114 - H ALA 89 OK 18 90 - 20 - 2.1/5084=4, 2.1/5077=3...(8) QD2 LEU 54 - H LEU 114 OK 17 89 - 19 - 5069/4.0=2, 5090/4.4=2...(8) QD1 LEU 84 - H LEU 114 OK 16 73 - 22 - 2.1/7557=5, 5090/4.4=2...(10) QD2 LEU 111 - H ALA 89 poor 9 86 - 10 - 4.0/6219=2 HG3 GLU 75 - H LEU 114 poor 9 81 - 11 - 3.6/1765=2, 5062/3.0=1 QG1 VAL 66 - H ALA 89 poor 7 51 - 14 - 2.1/3675=3, 2.1/3665=3...(5) HG LEU 111 - H ALA 89 poor 5 53 - 10 - 4.3/6219=2, 4.9/1764=1 QD1 LEU 84 - H ALA 89 lone 5 60 - 8 - 2.1/7557=1 QD2 LEU 54 - H ALA 89 lone 2 75 - 3 - HG3 GLU 75 - H ALA 89 lone 2 67 - 3 - Peak 1359 from nnoeabs.peaks (8.37, 8.37, 121.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 115 + H VAL 115 OK 100 100 - 100 Peak 1360 from nnoeabs.peaks (3.62, 8.37, 121.97 ppm; 3.63 A): 3 out of 7 assignments used, quality = 1.00: * HA VAL 115 + H VAL 115 OK 100 100 - 100 - 3.0=100 HA LEU 111 + H VAL 115 OK 56 97 - 57 - 6224=12, 3.6/7925=10...(15) HA ILE 80 + H VAL 115 OK 50 85 - 58 - 4062=13, 3.0/4069=8...(18) HD2 PRO 70 - H VAL 115 OK 30 99 - 30 - ~6246=3, 7262/4.0=3...(14) HA LYS 46 - H VAL 115 OK 20 83 - 25 - 3.0/584=3, 3.9/7962=3...(11) HA LEU 41 - H VAL 115 OK 10 68 - 15 - 3.0/584=2, 4.1/1363=2...(4) HA2 GLY 39 - H VAL 115 lone 7 95 - 7 - Peak 1361 from nnoeabs.peaks (2.14, 8.37, 121.97 ppm; 3.23 A): 4 out of 5 assignments used, quality = 0.90: * HB VAL 115 + H VAL 115 OK 79 100 - 79 - 4.0=54, 2.1/5113=22...(10) HG12 ILE 80 + H VAL 115 OK 30 68 - 44 - 2.1/4097=9, 1.8/4090=7...(14) HB3 GLU 15 + H VAL 115 OK 16 100 - 16 - 1.8/582=3, 5100/3.0=3...(6) HB2 PRO 30 + H VAL 115 OK 15 100 - 15 - 5100/3.0=4, 5110/4.0=4...(4) HG2 GLU 69 - H VAL 115 lone 9 96 - 9 - 1.8/582=2, 5100/3.0=2 Peak 1362 from nnoeabs.peaks (0.83, 8.37, 121.97 ppm; 3.48 A): 2 out of 9 assignments used, quality = 0.93: * QG1 VAL 115 + H VAL 115 OK 88 100 - 88 - 4.0=65, 2.1/5113=25...(13) QD2 LEU 114 + H VAL 115 OK 47 78 - 60 - 5896=11, 3.1/582=10...(16) HB2 ASN 118 - H VAL 115 OK 24 99 - 24 - 6245/3.0=7, ~6247=5...(7) HG13 ILE 22 - H VAL 115 OK 22 99 - 22 - 5101/3.0=3, 5116/4.0=3...(8) QD2 LEU 55 - H VAL 115 OK 21 87 - 24 - 2.1/1363=4, 4.0/1770=3...(11) QD1 LEU 93 - H VAL 115 OK 20 100 - 20 - 8528/4.6=3, 2.1/583=2...(8) QD2 LEU 91 - H VAL 115 OK 17 93 - 18 - 2.1/583=2, 5792/4.6=2...(8) QD1 LEU 59 - H VAL 115 OK 12 96 - 12 - 4.6/1772=2, 5061/3.6=2 QD1 ILE 22 - H VAL 115 OK 11 60 - 18 - 3.0/1363=3, 6244/3.0=3...(8) Peak 1363 from nnoeabs.peaks (0.92, 8.37, 121.97 ppm; 3.13 A): 5 out of 11 assignments used, quality = 0.86: * QG2 VAL 115 + H VAL 115 OK 75 100 - 75 - 4.0=47, 2.1/5103=17...(10) QG2 ILE 22 + H VAL 115 OK 17 100 - 17 - 5102/3.0=3, 2159/4.0=3...(5) QD1 LEU 55 + H VAL 115 OK 16 97 - 17 - 5102/3.0=2, 2.1/585=2...(6) QD1 LEU 41 + H VAL 115 OK 13 99 - 13 - 5102/3.0=2, 3.1/584=2...(4) QD1 LEU 117 + H VAL 115 OK 10 92 - 11 - 4.6/1779=5, 5102/3.0=1 HB2 GLN 42 - H VAL 115 lone 8 99 - 8 - 6013/3.0=2 QD2 LEU 27 - H VAL 115 lone 7 100 - 7 - 5102/3.0=1 QD1 LEU 27 - H VAL 115 lone 7 100 - 7 - 5102/3.0=1 QD1 ILE 63 - H VAL 115 lone 5 89 - 6 - QG2 VAL 49 - H VAL 115 lone 4 100 - 4 - QD1 LEU 126 - H VAL 115 lone 2 90 - 2 - Peak 1364 from nnoeabs.peaks (8.02, 8.02, 118.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H THR 116 + H THR 116 OK 100 100 - 100 H THR 17 + H THR 17 OK 46 46 - 100 Peak 1365 from nnoeabs.peaks (3.83, 8.02, 118.37 ppm; 3.66 A): 1 out of 24 assignments used, quality = 1.00: * HA THR 116 + H THR 116 OK 100 100 - 100 - 3.0=100 HA LYS 119 - H THR 116 OK 40 100 - 40 - 5127/4.1=6, 3.6/1519=5...(16) HA THR 19 - H THR 116 OK 38 95 - 40 - 3.2/2014=6, 3.0/2010=5...(16) HA GLU 15 - H THR 116 OK 23 83 - 28 - 5959=5, 3.0/589=3...(8) HA GLU 15 - H THR 17 OK 20 53 - 39 - 3.6/1431=10, 5956/4.7=9...(10) HA THR 19 - H THR 17 OK 19 64 - 30 - 3.6/51=5, 3.0/2010=5...(11) HA LEU 77 - H THR 116 OK 14 99 - 14 - 6107/4.6=3, 8340/4.4=2...(4) HA THR 116 - H THR 17 OK 11 72 - 16 - 5118=2, 4.8/5898=2...(7) HB3 SER 29 - H THR 116 poor 10 89 - 11 - 3.0/1775=5 HB2 SER 29 - H THR 116 lone 9 87 - 10 - 3.0/1775=5 HA3 GLY 88 - H THR 116 lone 4 90 - 4 - 3.6/1764=1 HA LYS 119 - H THR 17 lone 3 72 - 5 - HA2 GLY 88 - H THR 116 lone 3 83 - 4 - 3.6/1764=1 HA LEU 77 - H THR 17 lone 3 69 - 4 - HB2 SER 35 - H THR 116 lone 3 65 - 4 - HA3 GLY 39 - H THR 116 lone 2 76 - 3 - HB3 SER 29 - H THR 17 lone 1 58 - 3 - HB2 SER 29 - H THR 17 lone 1 56 - 2 - HA3 GLY 104 - H THR 116 lone 1 68 - 2 - HA3 GLY 104 - H THR 17 lone 1 42 - 2 - HB2 SER 35 - H THR 17 lone 1 40 - 2 - HA3 GLY 88 - H THR 17 lone 0 59 - 1 - HA3 GLY 39 - H THR 17 lone 0 47 - 1 - HA2 GLY 88 - H THR 17 lone 0 53 - 1 - Peak 1366 from nnoeabs.peaks (4.37, 8.02, 118.37 ppm; 3.34 A): 2 out of 14 assignments used, quality = 0.83: * HB THR 116 + H THR 116 OK 79 100 - 79 - 3.8=65, 2.1/5126=17...(9) HA LEU 93 + H THR 116 OK 18 97 - 19 - 5128/4.1=5, 5120/3.0=3...(6) HA CYS 76 - H THR 116 lone 8 93 - 9 - 6105/4.6=2, 2.9/572=1 HA MET 11 - H THR 116 lone 6 100 - 6 - 3.6/1519=1, 5431/4.6=1 HA GLN 105 - H THR 116 lone 5 99 - 5 - 5128/4.1=1, 594/4.6=1 HB THR 116 - H THR 17 lone 5 72 - 7 - 5122=2, 2.1/5126=1 HA GLN 105 - H THR 17 lone 4 69 - 6 - 4764/4.1=1, 4764/4.1=1 HA SER 35 - H THR 116 lone 2 100 - 2 - HA ASP 100 - H THR 116 lone 2 83 - 3 - HA CYS 76 - H THR 17 lone 2 62 - 2 - ~6343=1 HA LEU 93 - H THR 17 lone 1 66 - 2 - HA MET 11 - H THR 17 lone 1 71 - 1 - HA ASP 100 - H THR 17 lone 1 53 - 2 - HA SER 35 - H THR 17 lone 1 71 - 1 - Peak 1367 from nnoeabs.peaks (1.27, 8.02, 118.37 ppm; 3.88 A): 2 out of 12 assignments used, quality = 0.97: * QG2 THR 116 + H THR 116 OK 94 100 - 94 - 4.1=88, 2.1/5122=26...(6) QG2 ILE 80 + H THR 116 OK 44 100 - 44 - 4.0/587=7, 4077/3.6=6...(14) QD1 ILE 80 - H THR 116 OK 43 100 - 43 - 4097/4.6=7, 7411/3.0=6...(14) QG2 THR 19 - H THR 116 OK 38 96 - 40 - 2014=11, 2.1/2010=7...(11) QG2 THR 19 - H THR 17 OK 19 65 - 30 - 6323/3.6=8, 2.1/2010=7...(7) HG3 LYS 32 - H THR 116 OK 13 98 - 13 - 3.8/1775=3, 5125/3.8=2...(4) QG2 ILE 80 - H THR 17 poor 10 72 - 13 - 6323/3.6=3, 7390/4.6=2 QG2 THR 116 - H THR 17 poor 8 72 - 11 - 5126=2, 2.1/5122=2...(5) QD1 ILE 80 - H THR 17 poor 8 72 - 10 - 6323/3.6=2 HG LEU 54 - H THR 116 lone 5 95 - 6 - 595/4.6=1 HG3 LYS 32 - H THR 17 lone 2 68 - 2 - HG LEU 54 - H THR 17 lone 1 64 - 1 - Peak 1368 from nnoeabs.peaks (8.66, 8.66, 122.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 117 + H LEU 117 OK 100 100 - 100 Peak 1369 from nnoeabs.peaks (3.99, 8.66, 122.46 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 117 + H LEU 117 OK 100 100 - 100 - 3.0=100 HA THR 62 - H LEU 117 OK 32 99 - 32 - 5138/4.0=5, 5145/4.0=4...(13) HA ARG 81 - H LEU 117 OK 22 100 - 22 - 8605/4.3=4, 5138/4.0=3...(8) HA PHE 107 - H LEU 117 OK 14 85 - 16 - 5138/4.0=2, 5145/4.0=2...(7) Peak 1370 from nnoeabs.peaks (1.77, 8.66, 122.46 ppm; 3.33 A): 4 out of 14 assignments used, quality = 0.94: * HB2 LEU 117 + H LEU 117 OK 78 100 - 78 - 4.0=57, 1.8/1371=15...(12) HG LEU 117 + H LEU 117 OK 62 97 - 64 - 4.8=33, 3.0/1371=11...(10) HB3 GLU 56 + H LEU 117 OK 17 85 - 20 - 3.0/8300=5, 4.6/7044=3...(8) HB2 LYS 32 + H LEU 117 OK 11 95 - 11 - 3.0/1781=2, 3.0/595=2 HB2 PRO 37 - H LEU 117 lone 9 95 - 10 - 1.8/1371=2, 5132/3.0=1...(4) HG3 PRO 30 - H LEU 117 lone 9 97 - 9 - 5152/3.0=1, 5146/4.0=1...(4) HB VAL 66 - H LEU 117 lone 5 68 - 8 - 5134/3.0=1, 5148/4.0=1 HB3 LYS 46 - H LEU 117 lone 5 78 - 6 - HG2 GLN 42 - H LEU 117 lone 4 93 - 5 - HD3 LYS 109 - H LEU 117 lone 4 99 - 4 - HB2 GLU 75 - H LEU 117 lone 4 100 - 4 - HD2 LYS 109 - H LEU 117 lone 4 97 - 4 - HB2 LEU 45 - H LEU 117 lone 2 83 - 3 - HG3 ARG 71 - H LEU 117 lone 1 89 - 2 - Peak 1371 from nnoeabs.peaks (2.23, 8.66, 122.46 ppm; 3.59 A): 5 out of 12 assignments used, quality = 0.93: * HB3 LEU 117 + H LEU 117 OK 87 100 - 87 - 4.0=72, 1.8/1370=14...(12) HG2 GLU 56 + H LEU 117 OK 20 95 - 21 - 4.0/8300=4, 5133/3.0=2...(9) HB2 PRO 70 + H LEU 117 OK 18 97 - 19 - 5140/4.0=3, 5133/3.0=3...(8) HB2 PRO 68 + H LEU 117 OK 12 100 - 12 - 7226/4.6=2, 5133/3.0=2...(4) HB3 PRO 37 + H LEU 117 OK 11 87 - 12 - 5140/4.0=2, 5133/3.0=2...(5) HG2 GLU 38 - H LEU 117 lone 8 99 - 8 - 5133/3.0=1, 5140/4.0=1 HG3 GLU 38 - H LEU 117 lone 8 99 - 8 - 5133/3.0=1, 5140/4.0=1 HG3 GLU 15 - H LEU 117 lone 8 87 - 9 - 6322/4.0=2, 1929/3.6=1...(4) HG3 GLU 28 - H LEU 117 lone 6 100 - 6 - HG2 GLU 28 - H LEU 117 lone 6 100 - 6 - HG2 GLU 94 - H LEU 117 lone 4 99 - 4 - HG3 GLU 64 - H LEU 117 lone 3 100 - 3 - Peak 1372 from nnoeabs.peaks (1.76, 8.66, 122.46 ppm; 3.33 A): 3 out of 16 assignments used, quality = 0.92: HB2 LEU 117 + H LEU 117 OK 75 97 - 78 - 4.0=57, 1.8/1371=15...(12) * HG LEU 117 + H LEU 117 OK 64 100 - 64 - 4.8=33, 3.0/1371=11...(10) HB2 LEU 91 + H LEU 117 OK 12 63 - 20 - 3.1/7590=5, 3.1/8002=3...(8) HG3 PRO 30 - H LEU 117 lone 9 100 - 10 - 5152/3.0=1, 5148/4.0=1...(4) HB2 LYS 32 - H LEU 117 poor 8 73 - 10 - 3.0/1781=2, 3.0/595=2 HB VAL 66 - H LEU 117 lone 8 92 - 8 - 7177/4.6=1, 5134/3.0=1...(4) HB2 PRO 37 - H LEU 117 lone 7 73 - 9 - 1.8/1371=2, 5132/3.0=1...(4) HB3 LYS 46 - H LEU 117 lone 6 97 - 7 - HG2 GLN 42 - H LEU 117 lone 5 100 - 5 - HD2 LYS 109 - H LEU 117 lone 4 100 - 4 - HD3 LYS 109 - H LEU 117 lone 4 100 - 4 - HB2 GLU 75 - H LEU 117 lone 4 95 - 4 - HB2 LEU 45 - H LEU 117 lone 3 98 - 3 - HB2 ARG 53 - H LEU 117 lone 2 81 - 2 - HG3 ARG 71 - H LEU 117 lone 2 99 - 2 - HG2 ARG 71 - H LEU 117 lone 1 85 - 1 - Peak 1373 from nnoeabs.peaks (0.91, 8.66, 122.46 ppm; 4.02 A): 2 out of 14 assignments used, quality = 0.94: * QD1 LEU 117 + H LEU 117 OK 89 100 - 89 - 4.6=67, 3.1/1371=15...(10) QG2 VAL 115 + H LEU 117 OK 45 92 - 49 - 4.3/592=14, 4.0/1779=10...(13) QD2 LEU 59 - H LEU 117 OK 28 65 - 43 - 2.1/3417=7, 2.1/3410=7...(14) QD2 LEU 27 - H LEU 117 OK 27 93 - 29 - 6526/4.6=5, 5135/3.0=4...(12) QD1 LEU 27 - H LEU 117 OK 21 89 - 24 - 5135/3.0=3, 5170/4.6=2...(11) QG2 VAL 49 - H LEU 117 OK 18 97 - 19 - 5170/4.6=3, 5135/3.0=3...(8) QD1 LEU 55 - H LEU 117 OK 18 68 - 26 - 4.0/6999=5, 8499=4...(10) QG2 ILE 22 - H LEU 117 OK 18 92 - 19 - 6435/3.6=2, 3.2/8001=2...(7) QG1 VAL 49 - H LEU 117 OK 12 65 - 19 - 8493/4.6=5, 2.1/8499=2...(9) HB2 GLN 42 - H LEU 117 OK 12 99 - 12 - 5142/4.0=1, 5135/3.0=1...(4) QD1 LEU 126 - H LEU 117 OK 11 100 - 11 - 5410/4.7=2, 4.7/1520=1 QD1 ILE 124 - H LEU 117 lone 7 78 - 9 - 8120/8071=1, 8121/5290=1 QD1 LEU 41 - H LEU 117 lone 6 76 - 8 - QD2 LEU 41 - H LEU 117 lone 6 83 - 7 - Peak 1374 from nnoeabs.peaks (1.13, 8.66, 122.46 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.98: * QD2 LEU 117 + H LEU 117 OK 89 100 - 89 - 4.6=63, 5136/3.0=14...(16) QG2 VAL 120 + H LEU 117 OK 79 96 - 83 - 8060/3.0=17, 7986/4.3=16...(24) QG2 VAL 50 - H LEU 117 OK 21 100 - 20 - 6922/4.6=3, 5143/4.0=3...(7) QG2 THR 62 - H LEU 117 OK 19 68 - 28 - 3.2/1369=6, 3495/3.0=4...(9) HB3 LEU 54 - H LEU 117 OK 18 81 - 22 - 5143/4.0=4, 5150/4.0=4...(9) Peak 1375 from nnoeabs.peaks (7.74, 7.74, 118.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 118 + H ASN 118 OK 100 100 - 100 Peak 1376 from nnoeabs.peaks (3.55, 7.74, 118.75 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 118 + H ASN 118 OK 100 100 - 100 - 3.0=100 HD2 PRO 60 - H ASN 118 OK 29 100 - 29 - 4.8/271=5, 5179/4.0=4...(12) HA LEU 51 - H ASN 118 OK 21 97 - 21 - 5185/4.0=3, 5179/4.0=3...(10) HB2 ASP 47 - H ASN 118 OK 14 99 - 14 - 6871/4.0=3, 5179/4.0=2...(7) Peak 1377 from nnoeabs.peaks (0.82, 7.74, 118.75 ppm; 3.24 A): 7 out of 9 assignments used, quality = 0.94: * HB2 ASN 118 + H ASN 118 OK 71 100 - 71 - 4.0=51, 1.8/5184=18...(7) QD2 LEU 91 + H ASN 118 OK 36 99 - 36 - 4400=7, 2.1/4407=4...(14) QG1 VAL 115 + H ASN 118 OK 34 99 - 34 - 3.2/6243=10, 4.3/1784=6...(8) QD1 LEU 93 + H ASN 118 OK 27 99 - 27 - 7607/3.6=9, 8524/4.2=3...(6) QD1 LEU 59 + H ASN 118 OK 21 83 - 25 - 4.6/271=4, 8003/3.6=2...(12) QD2 LEU 55 + H ASN 118 OK 11 68 - 16 - 4.0/8639=3, 2.1/7019=2...(6) HG13 ILE 22 + H ASN 118 OK 11 90 - 12 - 5174/3.0=1 QD1 LEU 111 - H ASN 118 poor 10 71 - 14 - 4.0/1785=3, 8003/3.6=1...(5) QD1 ILE 22 - H ASN 118 lone 8 81 - 9 - 3.0/601=1 Peak 1378 from nnoeabs.peaks (2.35, 7.74, 118.75 ppm; 3.34 A): 4 out of 9 assignments used, quality = 0.83: * HB3 ASN 118 + H ASN 118 OK 72 100 - 72 - 4.0=56, 1.8/5178=16...(5) HG2 PRO 70 + H ASN 118 OK 19 100 - 19 - 2.3/1785=4, 2.3/599=3...(6) HB2 LEU 54 + H ASN 118 OK 16 78 - 21 - 3.1/6975=4, 1.8/602=3...(8) HB VAL 18 + H ASN 118 OK 13 100 - 13 - 4.5/1784=2, 5175/3.0=2...(5) HG2 GLU 15 - H ASN 118 lone 9 92 - 9 - 1.8/599=2, 6317/4.2=1 HB3 GLU 82 - H ASN 118 lone 5 95 - 5 - HB2 GLU 82 - H ASN 118 lone 5 95 - 5 - HB2 GLN 103 - H ASN 118 lone 4 85 - 5 - 3.0/1786=1 HG2 MET 11 - H ASN 118 lone 2 71 - 2 - Peak 1379 from nnoeabs.peaks (5.53, 7.74, 118.75 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.79: * HD21 ASN 118 + H ASN 118 OK 79 100 - 79 - 5.6=64, 3.5/5184=25, 3.5/5178=21 Peak 1381 from nnoeabs.peaks (7.60, 7.60, 118.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 119 + H LYS 119 OK 100 100 - 100 Peak 1382 from nnoeabs.peaks (3.83, 7.60, 118.81 ppm; 3.10 A): 1 out of 14 assignments used, quality = 1.00: * HA LYS 119 + H LYS 119 OK 100 100 - 100 - 3.0=100 HA THR 116 - H LYS 119 OK 39 100 - 40 - 3.2/7981=6, 3.6/1522=5...(15) HA THR 19 - H LYS 119 OK 14 97 - 14 - 6250=2, 5201/4.0=1...(4) HA LEU 77 - H LYS 119 lone 6 100 - 6 - HA GLU 15 - H LYS 119 lone 6 89 - 7 - HB3 SER 29 - H LYS 119 lone 4 83 - 5 - HA3 GLY 88 - H LYS 119 lone 4 85 - 4 - HB2 SER 29 - H LYS 119 lone 3 81 - 4 - HA2 GLY 88 - H LYS 119 lone 3 76 - 4 - HA3 GLY 39 - H LYS 119 lone 1 68 - 2 - HB2 SER 35 - H LYS 119 lone 1 73 - 2 - HA3 GLY 104 - H LYS 119 lone 1 76 - 1 - HA THR 33 - H LYS 119 lone 1 63 - 2 - HB THR 33 - H LYS 119 lone 1 60 - 1 - Peak 1383 from nnoeabs.peaks (1.88, 7.60, 118.81 ppm; 3.13 A): 5 out of 15 assignments used, quality = 0.88: * HB2 LYS 119 + H LYS 119 OK 72 100 - 72 - 4.0=46, 1.8/1384=14...(15) HB2 LEU 58 + H LYS 119 OK 31 95 - 33 - 3.9/263=6, 3.0/1384=4...(12) HG LEU 55 + H LYS 119 OK 17 100 - 17 - 4.3/6077=2, 2.1/7018=2...(7) HB3 LYS 31 + H LYS 119 OK 16 100 - 16 - 5192/3.0=2, 2.9/1385=2...(5) HB3 LYS 109 + H LYS 119 OK 14 85 - 17 - 1.8/1384=3, 2.9/6210=3...(7) HG LEU 84 - H LYS 119 lone 10 100 - 10 - 3.0/1386=1, 5192/3.0=1 HB ILE 22 - H LYS 119 poor 9 73 - 12 - 2.9/605=2, 5982/3.0=2...(4) HB2 LEU 84 - H LYS 119 lone 8 87 - 9 - 1.8/1386=2, 5192/3.0=1 HB2 ARG 81 - H LYS 119 lone 7 76 - 9 - 3.0/1788=3 HB VAL 50 - H LYS 119 lone 7 100 - 7 - 2.1/8027=2 HB3 GLU 28 - H LYS 119 lone 2 92 - 3 - HG3 PRO 68 - H LYS 119 lone 2 92 - 3 - HB2 ARG 92 - H LYS 119 lone 2 98 - 2 - HB2 GLU 28 - H LYS 119 lone 2 85 - 3 - HB3 GLU 73 - H LYS 119 lone 1 68 - 1 - Peak 1384 from nnoeabs.peaks (1.94, 7.60, 118.81 ppm; 3.24 A): 5 out of 15 assignments used, quality = 0.90: * HB3 LYS 119 + H LYS 119 OK 75 100 - 75 - 4.0=51, 1.8/5200=17...(13) HG LEU 58 + H LYS 119 OK 31 97 - 32 - 2.1/8028=4, 2.1/8028=4...(10) HB2 LYS 109 + H LYS 119 OK 19 99 - 19 - 2.9/6210=3, 1.8/1383=3...(6) HB3 PRO 30 + H LYS 119 OK 17 100 - 18 - 5210=4, 5193/3.0=3...(6) HB ILE 80 + H LYS 119 OK 12 81 - 15 - 6109/3.0=2, 3.0/1791=2...(7) HB2 LEU 21 - H LYS 119 lone 6 89 - 7 - 3.1/6399=1, 5193/3.0=1 HB2 GLU 38 - H LYS 119 lone 3 100 - 3 - HB3 GLU 69 - H LYS 119 lone 3 100 - 3 - 4.8/1791=1 HB2 ARG 85 - H LYS 119 lone 3 100 - 3 - HB3 ARG 85 - H LYS 119 lone 3 100 - 3 - HB2 GLU 64 - H LYS 119 lone 3 99 - 3 - HB3 GLU 64 - H LYS 119 lone 3 99 - 3 - HB3 MET 11 - H LYS 119 lone 3 65 - 4 - 4.2/1789=1 HG LEU 45 - H LYS 119 lone 2 63 - 3 - HB3 GLU 94 - H LYS 119 lone 2 97 - 2 - Peak 1385 from nnoeabs.peaks (1.46, 7.60, 118.81 ppm; 3.56 A): 7 out of 16 assignments used, quality = 0.95: * HG2 LYS 119 + H LYS 119 OK 76 100 - 76 - 4.9=38, 2.9/5200=15...(16) HG3 ARG 57 + H LYS 119 OK 32 99 - 32 - 3323=4, 3.0/3299=4...(11) HB3 LEU 58 + H LYS 119 OK 26 65 - 40 - 3.9/263=7, 1.8/1383=6...(12) HD2 LYS 46 + H LYS 119 OK 24 100 - 24 - 2.9/1386=4, 2.9/1386=4...(9) HG3 LYS 31 + H LYS 119 OK 24 100 - 24 - 5220=4, 5194/3.0=3...(8) HG2 LYS 109 + H LYS 119 OK 14 83 - 17 - 3.7/6210=3, 2.9/1384=3...(7) HB2 LEU 93 + H LYS 119 OK 13 100 - 13 - 3.1/605=2, 613/4.6=1, 5194/3.0=1 QB ALA 14 - H LYS 119 lone 9 100 - 9 - 6308/4.0=1, 6306/4.9=1 QB ALA 89 - H LYS 119 lone 7 83 - 8 - 3.6/603=2 HB3 LEU 101 - H LYS 119 lone 7 81 - 9 - 3.1/8028=1, 5194/3.0=1 HG LEU 91 - H LYS 119 poor 7 60 - 12 - 2.1/605=4, 5.2/603=1 HG LEU 24 - H LYS 119 lone 5 97 - 6 - HB3 LEU 45 - H LYS 119 lone 5 97 - 5 - HB3 GLU 75 - H LYS 119 lone 3 97 - 3 - HD2 LYS 65 - H LYS 119 lone 2 89 - 3 - HD3 LYS 65 - H LYS 119 lone 2 89 - 3 - Peak 1386 from nnoeabs.peaks (1.32, 7.60, 118.81 ppm; 3.86 A): 3 out of 9 assignments used, quality = 0.93: * HG3 LYS 119 + H LYS 119 OK 83 100 - 83 - 4.9=48, 2.9/5200=17...(16) HG2 LYS 46 + H LYS 119 OK 37 98 - 38 - 5195/3.0=5, 5230=5...(14) HG3 LYS 46 + H LYS 119 OK 37 98 - 38 - 5195/3.0=5, 5230=5...(14) HB3 LEU 59 - H LYS 119 OK 22 68 - 32 - 3.7/1789=7, 3.2/8029=4...(10) HB3 LEU 84 - H LYS 119 OK 17 97 - 17 - 5195/3.0=2, 5205/4.0=2...(9) QG2 THR 17 - H LYS 119 lone 9 98 - 10 - QB ALA 43 - H LYS 119 lone 6 93 - 6 - QG2 THR 23 - H LYS 119 lone 6 100 - 5 - HG CYS 87 - H LYS 119 lone 4 99 - 4 - Peak 1387 from nnoeabs.peaks (1.60, 7.60, 118.81 ppm; 4.21 A): 2 out of 17 assignments used, quality = 0.97: * HD2 LYS 119 + H LYS 119 OK 84 100 - 84 - 6.0=35, 3.7/5200=17...(21) HD3 LYS 119 + H LYS 119 OK 84 100 - 84 - 6.0=35, 3.7/5200=17...(21) HG2 ARG 57 - H LYS 119 OK 37 90 - 41 - 1.8/3323=7, 3.0/3299=5...(13) HB2 LEU 59 - H LYS 119 OK 22 63 - 35 - 3.7/1789=9, 3.2/8029=5...(11) HG2 PRO 30 - H LYS 119 OK 18 89 - 20 - 2.3/1384=4, ~5193=3...(7) HD3 LYS 31 - H LYS 119 OK 15 71 - 22 - 3.0/5220=4, 3.4/1383=3...(11) HD2 LYS 31 - H LYS 119 OK 15 71 - 22 - 3.0/5220=4, 3.4/1383=3...(11) HG12 ILE 63 - H LYS 119 OK 15 99 - 15 - 2.1/7129=3, 3.2/7124=3...(4) HD3 LYS 32 - H LYS 119 OK 14 93 - 15 - 5197/3.0=2, 5207/4.0=2...(7) HD2 LYS 32 - H LYS 119 OK 14 93 - 15 - 5197/3.0=2, 5207/4.0=2...(7) HG2 ARG 81 - H LYS 119 OK 14 90 - 15 - 4.0/1788=5, 2.9/1383=1 HG3 ARG 81 - H LYS 119 OK 14 90 - 15 - 4.0/1788=5, 2.9/1383=1 HG LEU 126 - H LYS 119 OK 11 100 - 11 - 2.1/8029=2, 3315=1...(4) HB2 LEU 126 - H LYS 119 OK 11 99 - 11 - 4.0/603=2, 3.1/8029=1 HB3 LEU 126 - H LYS 119 OK 11 99 - 11 - 4.0/603=2, 3.1/8029=1 HG LEU 101 - H LYS 119 poor 8 76 - 10 - 2.1/8028=2 HG2 ARG 53 - H LYS 119 lone 6 93 - 7 - 3.9/6070=1 Peak 1388 from nnoeabs.peaks (1.60, 7.60, 118.81 ppm; 4.21 A): 2 out of 17 assignments used, quality = 0.97: HD2 LYS 119 + H LYS 119 OK 84 100 - 84 - 6.0=35, 3.7/5200=17...(21) * HD3 LYS 119 + H LYS 119 OK 84 100 - 84 - 6.0=35, 3.7/5200=17...(21) HG2 ARG 57 - H LYS 119 OK 36 89 - 41 - 1.8/3323=7, 3.0/3299=5...(13) HB2 LEU 59 - H LYS 119 OK 23 65 - 35 - 3.7/1789=9, 3.2/8029=5...(11) HG2 PRO 30 - H LYS 119 OK 18 90 - 20 - 2.3/1384=4, ~5193=3...(7) HD2 LYS 31 - H LYS 119 OK 16 73 - 22 - 3.0/5220=4, 3.4/1383=3...(11) HD3 LYS 31 - H LYS 119 OK 16 73 - 22 - 3.0/5220=4, 3.4/1383=3...(11) HD2 LYS 32 - H LYS 119 OK 15 95 - 15 - 5197/3.0=2, 5207/4.0=2...(7) HD3 LYS 32 - H LYS 119 OK 15 95 - 15 - 5197/3.0=2, 5207/4.0=2...(7) HG12 ILE 63 - H LYS 119 OK 15 100 - 15 - 2.1/7129=3, 3.2/7124=3...(4) HG2 ARG 81 - H LYS 119 OK 14 89 - 15 - 4.0/1788=5, 2.9/1383=1 HG3 ARG 81 - H LYS 119 OK 14 89 - 15 - 4.0/1788=5, 2.9/1383=1 HG LEU 126 - H LYS 119 OK 11 100 - 11 - 2.1/8029=2, 3315=1...(4) HB2 LEU 126 - H LYS 119 OK 11 100 - 11 - 4.0/603=2, 3.1/8029=1 HB3 LEU 126 - H LYS 119 OK 11 99 - 11 - 4.0/603=2, 3.1/8029=1 HG LEU 101 - H LYS 119 poor 8 78 - 10 - 2.1/8028=2 HG2 ARG 53 - H LYS 119 lone 6 95 - 7 - 3.9/6070=1 Peak 1391 from nnoeabs.peaks (8.65, 8.65, 114.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 120 + H VAL 120 OK 100 100 - 100 Peak 1392 from nnoeabs.peaks (4.08, 8.65, 114.21 ppm; 3.37 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 120 + H VAL 120 OK 100 100 - 100 - 3.0=100 HA LYS 31 - H VAL 120 OK 24 100 - 25 - 5296/4.0=3, 5291/4.0=3...(12) HA LEU 55 - H VAL 120 OK 18 68 - 27 - 3.6/1797=4, 6999=3...(10) HA SER 112 - H VAL 120 lone 7 73 - 9 - 3.6/609=2, 620/4.6=1, 5886/4.6=1 HA LEU 24 - H VAL 120 lone 6 93 - 6 - HA SER 44 - H VAL 120 lone 4 92 - 5 - Peak 1393 from nnoeabs.peaks (2.30, 8.65, 114.21 ppm; 3.29 A): 5 out of 8 assignments used, quality = 0.93: * HB VAL 120 + H VAL 120 OK 86 100 - 86 - 3.8=66, 2.1/1394=19...(10) HG2 GLN 105 + H VAL 120 OK 19 92 - 21 - 5282/3.0=3, 3.0/5851=3...(11) HG3 GLN 105 + H VAL 120 OK 19 90 - 21 - 5282/3.0=3, 3.0/5851=3...(11) HB3 PRO 60 + H VAL 120 OK 11 78 - 14 - 3.0/7093=3, 5282/3.0=2...(7) HG3 GLU 56 + H VAL 120 OK 11 87 - 12 - 4.0/8300=3, 4.9/1797=2...(5) HG2 GLN 16 - H VAL 120 lone 3 99 - 3 - HB2 CYS 87 - H VAL 120 lone 3 60 - 5 - HG3 GLU 94 - H VAL 120 lone 1 60 - 2 - Peak 1394 from nnoeabs.peaks (1.03, 8.65, 114.21 ppm; 3.23 A): 4 out of 6 assignments used, quality = 0.91: * QG1 VAL 120 + H VAL 120 OK 85 100 - 85 - 4.0=51, 5291/3.0=18...(14) QD1 LEU 58 + H VAL 120 OK 22 60 - 37 - 2.1/612=6, 4.8/1794=4...(14) QD2 LEU 101 + H VAL 120 OK 15 100 - 15 - 5283/3.0=2, 5298/4.0=2...(6) HB3 LEU 27 + H VAL 120 OK 12 73 - 16 - 5283/3.0=3, 622/4.6=2...(6) HB3 LEU 21 - H VAL 120 poor 10 85 - 11 - 5283/3.0=2, 1.8/612=2...(4) QG2 THR 33 - H VAL 120 lone 3 81 - 3 - Peak 1395 from nnoeabs.peaks (1.12, 8.65, 114.21 ppm; 3.06 A): 4 out of 4 assignments used, quality = 0.92: * QG2 VAL 120 + H VAL 120 OK 82 100 - 82 - 4.0=44, 2.1/1394=17...(15) QD2 LEU 117 + H VAL 120 OK 41 96 - 43 - 3.8/1795=6, 5284/3.0=5...(13) QG2 THR 62 + H VAL 120 OK 17 93 - 19 - 3.2/1795=3, 5284/3.0=2...(7) QG2 VAL 50 + H VAL 120 OK 12 96 - 12 - 5284/3.0=2, 8032/4.7=1...(6) Peak 1396 from nnoeabs.peaks (7.69, 7.69, 109.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 121 + H THR 121 OK 100 100 - 100 Peak 1397 from nnoeabs.peaks (4.41, 7.69, 109.09 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 121 + H THR 121 OK 100 100 - 100 - 3.0=100 HA LEU 93 - H THR 121 OK 16 60 - 27 - 8066/3.9=4, 8064/3.9=4...(11) HA LYS 32 - H THR 121 OK 12 95 - 12 - 5305/4.0=3, 5309/4.0=3...(6) HA SER 113 - H THR 121 poor 7 60 - 12 - 3.0/1799=3, 5300=2, 4.9/620=1 HA SER 29 - H THR 121 lone 3 73 - 5 - Peak 1398 from nnoeabs.peaks (4.56, 7.69, 109.09 ppm; 3.99 A): 1 out of 8 assignments used, quality = 0.98: * HB THR 121 + H THR 121 OK 98 100 - 98 - 4.0=95, 2.1/5308=28...(8) HA LEU 27 - H THR 121 OK 24 71 - 35 - 5302/3.0=5, 3.0/622=5...(11) HA ASP 47 - H THR 121 lone 7 85 - 8 - 3.0/1800=3, 5302/3.0=2...(4) HA GLU 82 - H THR 121 lone 6 90 - 6 - 4.9/1801=2 HA ASN 99 - H THR 121 lone 5 100 - 4 - HA THR 95 - H THR 121 lone 3 96 - 3 - HA ASN 79 - H THR 121 lone 3 93 - 3 - HA GLU 69 - H THR 121 lone 2 87 - 2 - Peak 1399 from nnoeabs.peaks (1.38, 7.69, 109.09 ppm; 3.36 A): 3 out of 8 assignments used, quality = 0.94: * QG2 THR 121 + H THR 121 OK 86 100 - 86 - 4.0=58, 5309/3.0=22...(12) HB2 LEU 111 + H THR 121 OK 39 95 - 41 - 4997=9, 1.8/5004=6...(15) HB2 LEU 27 + H THR 121 OK 28 83 - 34 - 1.8/622=5, 5303/3.0=4...(14) HB3 LEU 93 - H THR 121 OK 27 99 - 27 - 8055/3.9=5, 8047/3.9=4...(9) HB VAL 110 - H THR 121 OK 24 89 - 27 - 5877=6, 2.1/5878=4...(8) HG2 LYS 31 - H THR 121 OK 16 99 - 16 - 2426/3.6=4, 8055/3.9=2...(7) HG LEU 59 - H THR 121 OK 11 71 - 15 - 5.1/619=2, 3410/4.6=2...(5) HB3 LEU 59 - H THR 121 poor 9 60 - 15 - 3.7/619=3, 4.8/1800=3...(4) Peak 1400 from nnoeabs.peaks (7.65, 7.65, 125.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 122 + H ALA 122 OK 100 100 - 100 Peak 1401 from nnoeabs.peaks (4.27, 7.65, 125.52 ppm; 3.20 A): 1 out of 12 assignments used, quality = 1.00: * HA ALA 122 + H ALA 122 OK 100 100 - 100 - 3.0=100 HA LEU 58 - H ALA 122 OK 11 87 - 12 - 3.6/1804=3, 4.0/8096=2...(4) HA GLN 103 - H ALA 122 lone 3 100 - 3 - HB THR 19 - H ALA 122 lone 3 76 - 3 - 3.0/1805=1 HA LEU 114 - H ALA 122 lone 3 73 - 4 - HA ALA 89 - H ALA 122 lone 2 60 - 3 - HA3 GLY 48 - H ALA 122 lone 2 73 - 2 - HA LYS 65 - H ALA 122 lone 1 83 - 2 - HA GLU 94 - H ALA 122 lone 1 100 - 1 - HB3 SER 113 - H ALA 122 lone 1 63 - 2 - HA GLU 64 - H ALA 122 lone 1 96 - 1 - HB2 SER 78 - H ALA 122 lone 0 60 - 1 - Peak 1402 from nnoeabs.peaks (1.41, 7.65, 125.52 ppm; 2.66 A): 1 out of 10 assignments used, quality = 0.82: * QB ALA 122 + H ALA 122 OK 82 100 - 82 - 2.9=78, 3.6/1525=13...(5) HB2 LEU 27 - H ALA 122 lone 9 90 - 10 - 1.8/8096=2, 3.0/626=2 HG LEU 59 - H ALA 122 lone 6 97 - 6 - 5.1/1804=1 HB2 LEU 111 - H ALA 122 lone 6 76 - 8 - 3.8/624=3, 4997/4.6=2 QB ALA 98 - H ALA 122 lone 5 97 - 5 - 5317=1 HB VAL 110 - H ALA 122 lone 5 85 - 6 - 4.4/624=2, 5877/4.6=1 HB2 LEU 51 - H ALA 122 lone 3 99 - 3 - HB3 LEU 91 - H ALA 122 lone 2 90 - 3 - QB ALA 89 - H ALA 122 lone 2 65 - 3 - HB3 LEU 101 - H ALA 122 lone 1 68 - 2 - Peak 1405 from nnoeabs.peaks (8.16, 8.16, 117.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 123 + H ASP 123 OK 100 100 - 100 Peak 1406 from nnoeabs.peaks (4.63, 8.16, 117.45 ppm; 3.15 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 123 + H ASP 123 OK 100 100 - 100 - 3.0=100 HA ASN 106 - H ASP 123 lone 3 89 - 3 - HA HIS 10 - H ASP 123 lone 2 100 - 2 - Peak 1407 from nnoeabs.peaks (2.75, 8.16, 117.45 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.82: * HB2 ASP 123 + H ASP 123 OK 82 100 - 82 - 4.0=61, 1.8/1408=35...(5) HB3 ASN 108 - H ASP 123 lone 3 60 - 5 - 3.5/628=2, 4878/4.6=1 Peak 1408 from nnoeabs.peaks (2.66, 8.16, 117.45 ppm; 3.13 A): 1 out of 3 assignments used, quality = 0.72: * HB3 ASP 123 + H ASP 123 OK 72 100 - 72 - 4.0=47, 1.8/5326=30...(5) HE2 LYS 46 - H ASP 123 lone 6 99 - 6 - 636/4.6=2, 5325/3.0=2 HG2 GLN 103 - H ASP 123 lone 3 83 - 3 - Peak 1409 from nnoeabs.peaks (7.78, 7.78, 118.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 124 + H ILE 124 OK 100 100 - 100 Peak 1410 from nnoeabs.peaks (4.14, 7.78, 118.86 ppm; 3.12 A): 1 out of 14 assignments used, quality = 1.00: * HA ILE 124 + H ILE 124 OK 100 100 - 100 - 3.0=100 HB2 SER 113 - H ILE 124 OK 17 96 - 18 - 7931/4.0=3, 3.0/8110=3...(9) HA ILE 63 - H ILE 124 OK 11 100 - 11 - 3504/4.0=2, 5342/4.0=1 HA PHE 83 - H ILE 124 lone 8 99 - 8 - 8355/4.0=1, 6148/4.7=1 HA ALA 98 - H ILE 124 lone 8 100 - 8 - 2.1/8107=1 HB3 SER 78 - H ILE 124 lone 7 93 - 8 - 4041/3.0=1 HA ASN 108 - H ILE 124 lone 7 100 - 7 - HA SER 78 - H ILE 124 lone 5 65 - 8 - 5334=2 HA PRO 37 - H ILE 124 lone 4 100 - 4 - HB3 SER 72 - H ILE 124 lone 3 100 - 3 - HA ARG 57 - H ILE 124 lone 2 65 - 4 - HA GLU 56 - H ILE 124 lone 2 63 - 3 - HA3 GLY 25 - H ILE 124 lone 2 65 - 2 - HA GLU 28 - H ILE 124 lone 2 89 - 2 - Peak 1411 from nnoeabs.peaks (1.98, 7.78, 118.86 ppm; 2.90 A): 4 out of 14 assignments used, quality = 0.86: * HB ILE 124 + H ILE 124 OK 73 100 - 73 - 4.0=39, 2.1/5348=13...(15) HG LEU 45 + H ILE 124 OK 26 97 - 27 - 2898=4, 2.1/2912=4...(9) HB2 LYS 46 + H ILE 124 OK 20 92 - 22 - 4.0/190=3, 3.0/6854=3...(10) HB2 LEU 41 + H ILE 124 OK 17 100 - 17 - 3.1/1415=3, 5336/3.0=3...(7) HB3 GLN 103 - H ILE 124 lone 5 100 - 5 - HB3 PRO 68 - H ILE 124 lone 5 100 - 5 - HG2 PRO 68 - H ILE 124 lone 4 100 - 4 - HB2 LEU 55 - H ILE 124 lone 4 87 - 5 - HG2 PRO 60 - H ILE 124 lone 4 97 - 4 - HG LEU 114 - H ILE 124 lone 3 100 - 3 - HB2 MET 11 - H ILE 124 lone 2 100 - 2 - HB2 GLU 94 - H ILE 124 lone 2 92 - 2 - HB2 ARG 71 - H ILE 124 lone 2 98 - 2 - HB3 GLU 94 - H ILE 124 lone 1 60 - 2 - Peak 1412 from nnoeabs.peaks (0.96, 7.78, 118.86 ppm; 3.45 A): 3 out of 9 assignments used, quality = 0.93: * QG2 ILE 124 + H ILE 124 OK 89 100 - 89 - 4.0=62, 2.1/5341=20...(15) HG2 LYS 65 + H ILE 124 OK 23 76 - 31 - 3.0/1413=5, 3.0/1413=5...(12) HG3 LYS 65 + H ILE 124 OK 23 76 - 31 - 3.0/1413=5, 3.0/1413=5...(12) QD1 LEU 41 - H ILE 124 OK 16 68 - 23 - 2.1/1415=5, 3.1/1411=3...(9) QD1 LEU 101 - H ILE 124 OK 14 63 - 23 - 2.1/7728=6, 7725=4...(7) QD1 ILE 63 - H ILE 124 OK 13 89 - 14 - 3534/3.0=3, 8309/4.0=1...(4) QD1 LEU 55 - H ILE 124 lone 6 76 - 8 - ~7017=1 QG1 VAL 18 - H ILE 124 lone 3 65 - 4 - QG2 THR 95 - H ILE 124 lone 2 89 - 3 - Peak 1413 from nnoeabs.peaks (1.55, 7.78, 118.86 ppm; 3.16 A): 4 out of 8 assignments used, quality = 0.89: * HG12 ILE 124 + H ILE 124 OK 76 100 - 76 - 4.9=26, 1.8/1414=19...(17) HB3 LYS 65 + H ILE 124 OK 28 99 - 29 - 5338/3.0=4, 5345/4.0=3...(13) HB2 LYS 65 + H ILE 124 OK 28 99 - 29 - 5338/3.0=4, 5345/4.0=3...(13) HD3 LYS 46 + H ILE 124 OK 16 73 - 21 - 3.0/636=4, 3.5/6855=3...(9) HG3 LYS 109 - H ILE 124 lone 9 100 - 9 - 8100/4.6=1, 7843/4.2=1 HG2 ARG 57 - H ILE 124 lone 4 63 - 6 - 5355=1 HG2 ARG 81 - H ILE 124 lone 2 63 - 4 - HG3 ARG 81 - H ILE 124 lone 2 63 - 4 - Peak 1414 from nnoeabs.peaks (1.24, 7.78, 118.86 ppm; 3.21 A): 3 out of 9 assignments used, quality = 0.80: * HG13 ILE 124 + H ILE 124 OK 75 100 - 75 - 4.9=28, 1.8/5355=18...(14) QG2 ILE 80 + H ILE 124 OK 11 63 - 17 - 3.2/7395=3, 3.2/1415=2...(7) QD1 ILE 80 + H ILE 124 OK 10 60 - 17 - 2.1/1415=3, 7395=2...(7) HG3 LYS 32 - H ILE 124 poor 10 81 - 12 - 3.8/8110=3, 5346/4.0=2...(5) HG2 LYS 32 - H ILE 124 poor 8 73 - 11 - 3.8/8110=3, 5346/4.0=1...(5) HB3 LEU 111 - H ILE 124 poor 8 68 - 12 - 1.8/8108=2, 5339/3.0=2...(5) HG LEU 77 - H ILE 124 lone 6 99 - 6 - QG2 THR 19 - H ILE 124 lone 4 87 - 4 - 6375/4.0=1 HB3 LEU 24 - H ILE 124 lone 3 81 - 4 - Peak 1415 from nnoeabs.peaks (0.89, 7.78, 118.86 ppm; 3.86 A): 2 out of 8 assignments used, quality = 0.94: * QD1 ILE 124 + H ILE 124 OK 91 100 - 91 - 4.7=55, 2.1/1414=23...(16) QD2 LEU 41 + H ILE 124 OK 33 100 - 34 - 5347/4.0=6, 5340/3.0=5...(12) HG13 ILE 80 - H ILE 124 OK 23 87 - 26 - 2.1/7395=6, 5340/3.0=3...(11) QD2 LEU 59 - H ILE 124 OK 17 100 - 17 - 3.2/8108=3, 5340/3.0=3...(9) QD2 LEU 126 - H ILE 124 lone 9 92 - 9 - 643/4.7=2, 5347/4.0=1...(4) QG1 VAL 49 - H ILE 124 lone 8 100 - 8 - 4.0/211=2 QD1 LEU 126 - H ILE 124 lone 8 81 - 9 - 643/4.7=1, 5347/4.0=1 QD1 LEU 117 - H ILE 124 lone 4 78 - 5 - Peak 1416 from nnoeabs.peaks (8.32, 8.32, 111.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLY 125 + H GLY 125 OK 100 100 - 100 H SER 74 + H SER 74 OK 47 47 - 100 Peak 1417 from nnoeabs.peaks (3.95, 8.32, 111.80 ppm; 2.78 A): 3 out of 12 assignments used, quality = 0.99: * HA2 GLY 125 + H GLY 125 OK 87 100 - 87 - 3.0=84, 3.6/644=12...(4) HA3 GLY 125 + H GLY 125 OK 87 100 - 87 - 3.0=84, 3.6/644=12...(4) HA SER 74 + H SER 74 OK 60 68 - 89 - 2.9=85, 3.6/352=7...(8) HA SER 74 - H GLY 125 lone 6 100 - 6 - 3936=1, 8109/4.7=1 HA2 GLY 125 - H SER 74 lone 3 69 - 4 - HA3 GLY 125 - H SER 74 lone 3 69 - 4 - HA ARG 85 - H GLY 125 lone 2 81 - 3 - HA THR 23 - H GLY 125 lone 2 87 - 2 - HA2 GLY 25 - H GLY 125 lone 2 87 - 2 - HA2 GLY 25 - H SER 74 lone 1 53 - 2 - HA THR 23 - H SER 74 lone 1 53 - 1 - HA ARG 85 - H SER 74 lone 0 48 - 1 - Peak 1418 from nnoeabs.peaks (3.95, 8.32, 111.80 ppm; 2.78 A): 3 out of 12 assignments used, quality = 0.99: HA2 GLY 125 + H GLY 125 OK 87 100 - 87 - 3.0=84, 3.6/644=12...(4) * HA3 GLY 125 + H GLY 125 OK 87 100 - 87 - 3.0=84, 3.6/644=12...(4) HA SER 74 + H SER 74 OK 60 68 - 89 - 2.9=85, 3.6/352=7...(8) HA SER 74 - H GLY 125 lone 6 100 - 6 - 3936=1, 8109/4.7=1 HA2 GLY 125 - H SER 74 lone 3 69 - 4 - HA3 GLY 125 - H SER 74 lone 3 69 - 4 - HA ARG 85 - H GLY 125 lone 2 81 - 3 - HA THR 23 - H GLY 125 lone 2 87 - 2 - HA2 GLY 25 - H GLY 125 lone 2 87 - 2 - HA2 GLY 25 - H SER 74 lone 1 53 - 2 - HA THR 23 - H SER 74 lone 1 53 - 1 - HA ARG 85 - H SER 74 lone 0 48 - 1 - Peak 1419 from nnoeabs.peaks (7.72, 7.72, 127.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 126 + H LEU 126 OK 100 100 - 100 Peak 1420 from nnoeabs.peaks (4.21, 7.72, 127.22 ppm; 3.30 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 126 + H LEU 126 OK 100 100 - 100 - 2.9=100 HA ILE 22 - H LEU 126 OK 10 99 - 10 - 3.0/644=2, 3.2/1424=1 HA CYS 52 - H LEU 126 lone 6 95 - 7 - 5411/4.7=1, 5418/4.7=1 HA ARG 92 - H LEU 126 lone 5 76 - 6 - 5382=1 HA VAL 26 - H LEU 126 lone 4 96 - 5 - HA VAL 66 - H LEU 126 lone 4 99 - 4 - HA PRO 68 - H LEU 126 lone 4 78 - 5 - 2.3/8128=1 HA3 GLY 61 - H LEU 126 lone 4 92 - 4 - 3.6/644=2 HA SER 13 - H LEU 126 lone 2 99 - 2 - HA THR 17 - H LEU 126 lone 1 68 - 2 - Peak 1421 from nnoeabs.peaks (1.60, 7.72, 127.22 ppm; 2.61 A): 3 out of 17 assignments used, quality = 0.88: HB3 LEU 126 + H LEU 126 OK 54 100 - 54 - 4.0=28, 1.8/5389=8...(13) * HB2 LEU 126 + H LEU 126 OK 54 100 - 54 - 4.0=28, 1.8/5389=8...(13) HG LEU 126 + H LEU 126 OK 44 99 - 45 - 4.9=15, 2.1/1425=6...(12) HB2 LEU 59 - H LEU 126 lone 5 78 - 7 - 3.2/1425=1, 3.7/271=1 HG2 ARG 57 - H LEU 126 lone 4 78 - 5 - HG2 ARG 53 - H LEU 126 lone 4 99 - 4 - HG12 ILE 63 - H LEU 126 lone 2 100 - 2 - HG2 PRO 30 - H LEU 126 lone 2 97 - 2 - HD3 LYS 119 - H LEU 126 lone 1 100 - 1 - HD2 LYS 119 - H LEU 126 lone 1 99 - 1 - HG3 ARG 81 - H LEU 126 lone 1 78 - 1 - HG2 ARG 81 - H LEU 126 lone 1 78 - 1 - HD2 LYS 31 - H LEU 126 lone 0 85 - 1 - HD3 LYS 31 - H LEU 126 lone 0 85 - 1 - HD2 LYS 32 - H LEU 126 lone 0 99 - 0 - HD3 LYS 32 - H LEU 126 lone 0 99 - 0 - HG LEU 101 - H LEU 126 lone 0 89 - 0 - Peak 1422 from nnoeabs.peaks (1.60, 7.72, 127.22 ppm; 2.61 A): 3 out of 17 assignments used, quality = 0.88: * HB3 LEU 126 + H LEU 126 OK 54 100 - 54 - 4.0=28, 1.8/5389=8...(13) HB2 LEU 126 + H LEU 126 OK 54 100 - 54 - 4.0=28, 1.8/5389=8...(13) HG LEU 126 + H LEU 126 OK 44 99 - 45 - 4.9=15, 2.1/1425=6...(12) HB2 LEU 59 - H LEU 126 lone 5 81 - 7 - 3.2/1425=1, 3.7/271=1 HG2 ARG 57 - H LEU 126 lone 4 76 - 5 - HG2 ARG 53 - H LEU 126 lone 4 99 - 4 - HG12 ILE 63 - H LEU 126 lone 2 100 - 2 - HG2 PRO 30 - H LEU 126 lone 2 97 - 2 - HD3 LYS 119 - H LEU 126 lone 1 99 - 1 - HD2 LYS 119 - H LEU 126 lone 1 99 - 1 - HG3 ARG 81 - H LEU 126 lone 1 76 - 1 - HG2 ARG 81 - H LEU 126 lone 1 76 - 1 - HD2 LYS 31 - H LEU 126 lone 0 87 - 1 - HD3 LYS 31 - H LEU 126 lone 0 87 - 1 - HD2 LYS 32 - H LEU 126 lone 0 99 - 0 - HD3 LYS 32 - H LEU 126 lone 0 99 - 0 - HG LEU 101 - H LEU 126 lone 0 90 - 0 - Peak 1423 from nnoeabs.peaks (1.59, 7.72, 127.22 ppm; 2.61 A): 3 out of 17 assignments used, quality = 0.88: HB2 LEU 126 + H LEU 126 OK 54 99 - 55 - 4.0=28, 1.8/5389=8...(13) HB3 LEU 126 + H LEU 126 OK 54 99 - 55 - 4.0=28, 1.8/5389=8...(13) * HG LEU 126 + H LEU 126 OK 45 100 - 45 - 4.9=15, 2.1/1425=6...(12) HG2 ARG 57 - H LEU 126 lone 5 92 - 5 - 5641=1 HB2 LEU 59 - H LEU 126 lone 4 60 - 7 - 3.2/1425=1, 3.7/271=1 HG2 ARG 53 - H LEU 126 lone 3 92 - 4 - HG12 ILE 63 - H LEU 126 lone 2 99 - 2 - HG2 PRO 30 - H LEU 126 lone 1 87 - 2 - HD2 LYS 119 - H LEU 126 lone 1 100 - 1 - HD3 LYS 119 - H LEU 126 lone 1 100 - 1 - HG3 ARG 81 - H LEU 126 lone 1 92 - 1 - HG2 ARG 81 - H LEU 126 lone 1 92 - 1 - HD2 LYS 32 - H LEU 126 lone 0 92 - 0 - HD3 LYS 32 - H LEU 126 lone 0 92 - 0 - HD2 LYS 31 - H LEU 126 lone 0 68 - 0 - HD3 LYS 31 - H LEU 126 lone 0 68 - 0 - HG LEU 101 - H LEU 126 lone 0 73 - 0 - Peak 1424 from nnoeabs.peaks (0.91, 7.72, 127.22 ppm; 3.88 A): 8 out of 14 assignments used, quality = 0.94: * QD1 LEU 126 + H LEU 126 OK 84 100 - 84 - 4.7=58, 2.1/5403=17...(11) QG2 VAL 49 + H LEU 126 OK 18 96 - 19 - 5387/2.9=3, ~6905=2...(9) QD1 LEU 117 + H LEU 126 OK 16 100 - 16 - 2.1/5910=2, 3.1/5906=2...(8) QG2 ILE 22 + H LEU 126 OK 14 90 - 15 - 3.2/1420=2, 5387/2.9=2...(5) QD1 ILE 124 + H LEU 126 OK 13 81 - 16 - 3.2/8128=6, 5940/4.6=5 QG1 VAL 49 + H LEU 126 OK 13 68 - 19 - 6905/2.9=3, 2.1/7019=3...(9) QD2 LEU 59 + H LEU 126 OK 12 68 - 18 - 7082=2, 4.6/271=2...(10) QD1 LEU 55 + H LEU 126 OK 12 65 - 18 - 3.1/8128=4, 2.1/7020=3...(5) QD2 LEU 41 - H LEU 126 lone 8 85 - 9 - 3.1/8128=2, 643/4.6=1 QD2 LEU 27 - H LEU 126 lone 6 92 - 6 - QD1 LEU 41 - H LEU 126 lone 6 73 - 8 - 3.1/8128=2 QG2 VAL 115 - H LEU 126 lone 5 90 - 5 - 3.2/6243=1 QD1 LEU 27 - H LEU 126 lone 4 87 - 5 - HB2 GLN 42 - H LEU 126 lone 2 98 - 2 - Peak 1425 from nnoeabs.peaks (0.87, 7.72, 127.22 ppm; 4.04 A): 3 out of 8 assignments used, quality = 0.93: * QD2 LEU 126 + H LEU 126 OK 88 100 - 88 - 4.7=65, 5418/2.9=25...(11) QD2 LEU 59 + H LEU 126 OK 24 97 - 25 - 7082=4, 5388/2.9=4...(9) QG1 VAL 49 + H LEU 126 OK 23 97 - 24 - 5388/2.9=5, 6904/4.0=3...(8) QD1 ILE 124 - H LEU 126 OK 17 92 - 19 - 3.2/8128=7, 5940/4.6=7...(4) QD2 LEU 55 - H LEU 126 OK 16 73 - 21 - 3.1/8128=4, 2.1/7019=3...(5) QD2 LEU 41 - H LEU 126 poor 10 89 - 11 - 3.1/8128=2, 643/4.6=2...(4) QD2 LEU 114 - H LEU 126 lone 8 83 - 10 - 2.1/8128=2, 4.0/6241=1 HG13 ILE 80 - H LEU 126 lone 5 100 - 5 - Peak 1428 from nnoeabs.peaks (8.84, 8.50, 116.08 ppm; 4.56 A): 1 out of 3 assignments used, quality = 0.97: * H ALA 14 + H SER 13 OK 97 100 - 97 - 4.6=96, 23/4.0=14...(4) H VAL 50 - H SER 13 lone 9 100 - 9 - 5439/2.9=3, 5441/4.0=2 H ASN 108 - H SER 13 lone 8 100 - 8 - 5439/2.9=2, 5441/4.0=2 Peak 1429 from nnoeabs.peaks (8.77, 8.84, 126.92 ppm; 3.64 A): 1 out of 4 assignments used, quality = 0.65: * H GLU 15 + H ALA 14 OK 65 100 - 65 - 4.6=50, 27/2.9=16...(7) H THR 23 - H ALA 14 poor 8 71 - 11 - 3.6/22=2, 5443/2.9=2...(5) H ARG 85 - H ALA 14 lone 7 76 - 9 - 5443/2.9=3, 5442/3.0=2, 4.7/21=1 H ASN 99 - H ALA 14 lone 7 89 - 8 - 5443/2.9=2, 5442/3.0=2 Peak 1430 from nnoeabs.peaks (8.45, 8.77, 119.55 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.88: * H GLN 16 + H GLU 15 OK 81 100 - 81 - 4.6=58, 4.6/1910=15...(11) H GLU 82 + H GLU 15 OK 27 100 - 26 - 5444/3.0=5, 5445/4.0=4...(10) H ILE 63 + H GLU 15 OK 15 96 - 15 - 5445/4.0=3, 5444/3.0=3...(5) H TYR 102 - H GLU 15 poor 9 60 - 16 - 4.6/1728=3, 5444/3.0=2...(7) H LEU 51 - H GLU 15 lone 4 65 - 6 - 4.6/25=1, 219/4.6=1 Peak 1431 from nnoeabs.peaks (7.99, 8.45, 118.13 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.90: * H THR 17 + H GLN 16 OK 83 100 - 83 - 4.6=56, 4.8/8472=13...(14) H THR 19 + H GLN 16 OK 28 73 - 38 - 4.6/1537=10, 1550/3.0=6...(11) H THR 116 + H GLN 16 OK 21 73 - 29 - 34=7, 5959/3.6=4...(11) H LEU 114 - H GLN 16 lone 7 78 - 10 - 5449/3.0=1, 1354/4.0=1...(4) HE ARG 85 - H GLN 16 lone 6 96 - 6 - 1533/4.6=1 Peak 1432 from nnoeabs.peaks (8.59, 7.99, 118.31 ppm; 3.51 A): 3 out of 8 assignments used, quality = 0.84: * H VAL 18 + H THR 17 OK 75 100 - 75 - 4.7=43, 44/4.0=13...(13) H VAL 18 + H THR 116 OK 23 72 - 32 - 42=7, 6354/4.3=3...(11) H ILE 34 + H THR 17 OK 14 100 - 14 - 5960/3.6=3, 1537/4.6=2...(5) H GLY 86 - H THR 17 poor 10 65 - 15 - 5454/3.0=2, ~5967=2...(7) H SER 29 - H THR 17 lone 4 71 - 6 - H SER 29 - H THR 116 lone 4 44 - 9 - 2.9/1775=2, 6569/4.3=1 H ILE 34 - H THR 116 lone 3 72 - 4 - H GLY 86 - H THR 116 lone 1 40 - 4 - Peak 1433 from nnoeabs.peaks (8.02, 8.59, 122.52 ppm; 3.28 A): 4 out of 4 assignments used, quality = 0.89: * H THR 19 + H VAL 18 OK 64 100 - 64 - 4.6=36, 4.5/1991=10...(13) H THR 17 + H VAL 18 OK 50 73 - 68 - 4.7=35, 4.0/44=11...(14) H THR 116 + H VAL 18 OK 28 100 - 28 - 1432=5, 5457/3.0=3...(12) H SER 112 + H VAL 18 OK 12 92 - 13 - 568/4.0=3, 5457/3.0=2...(5) Peak 1434 from nnoeabs.peaks (8.28, 8.02, 113.87 ppm; 3.64 A): 3 out of 5 assignments used, quality = 0.77: * H TRP 20 + H THR 19 OK 69 100 - 69 - 4.6=49, 5462/4.0=14...(8) H ILE 22 + H THR 19 OK 15 73 - 21 - 5978/3.6=6, 1565/3.0=4...(6) H GLU 69 + H THR 19 OK 12 92 - 14 - 7243/3.6=3, 4.8/47=2...(6) H CYS 87 - H THR 19 lone 6 65 - 9 - 5978/3.6=3, 7051/4.3=1 H VAL 49 - H THR 19 lone 5 68 - 7 - 3.6/829=2, 5462/4.0=1...(4) Peak 1435 from nnoeabs.peaks (8.21, 8.28, 125.58 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.65: * H LEU 21 + H TRP 20 OK 65 100 - 66 - 4.7=40, 4.5/834=13...(12) H MET 11 - H TRP 20 lone 8 100 - 8 - 5465/4.0=2, 5466/4.0=2 H ASP 100 - H TRP 20 lone 5 87 - 5 - 5465/4.0=1, 5466/4.0=1 Peak 1436 from nnoeabs.peaks (8.30, 8.21, 116.61 ppm; 3.35 A): 3 out of 5 assignments used, quality = 0.88: * H ILE 22 + H LEU 21 OK 69 100 - 69 - 4.6=37, 4.6/1569=9...(14) H TRP 20 + H LEU 21 OK 47 73 - 64 - 4.7=37, 4.0/5466=12...(14) H CYS 87 + H LEU 21 OK 25 100 - 25 - 5472/3.0=4, 3.6/57=3...(9) H THR 62 - H LEU 21 lone 4 68 - 5 - H GLY 125 - H LEU 21 lone 3 78 - 3 - Peak 1437 from nnoeabs.peaks (8.74, 8.30, 119.46 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.88: * H THR 23 + H ILE 22 OK 78 100 - 78 - 4.6=49, 5479/3.9=12...(11) H ARG 85 + H ILE 22 OK 45 100 - 45 - 1694=7, 5479/3.9=6...(13) H GLU 15 - H ILE 22 poor 8 71 - 12 - 3.0/1565=2, 5480/4.0=2...(5) Peak 1438 from nnoeabs.peaks (8.09, 8.74, 120.32 ppm; 3.59 A): 3 out of 6 assignments used, quality = 0.81: * H LEU 24 + H THR 23 OK 75 100 - 75 - 4.6=49, 81/4.0=16...(10) H SER 78 + H THR 23 OK 13 92 - 14 - 5484/3.0=3, 3.6/1571=2...(7) H THR 33 + H THR 23 OK 12 95 - 12 - 1567/4.6=2, 6428/4.1=2...(7) H GLY 39 - H THR 23 poor 10 99 - 10 - 6428/4.1=2, 5995/3.6=2...(6) H GLN 105 - H THR 23 lone 8 100 - 8 - 5484/3.0=1, 1567/4.6=1...(5) HD22 ASN 79 - H THR 23 lone 8 85 - 10 - 6428/4.1=2, 5995/3.6=2 Peak 1439 from nnoeabs.peaks (7.82, 8.09, 119.66 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.83: * H GLY 25 + H LEU 24 OK 77 100 - 77 - 4.7=41, 84/3.0=12...(15) H ASN 79 + H LEU 24 OK 17 81 - 21 - 373=5, 5487/3.0=2...(9) HD21 ASN 99 + H LEU 24 OK 12 97 - 13 - 5487/3.0=2, 5488/3.9=1...(6) HD21 ASN 106 - H LEU 24 lone 8 99 - 8 - 6445/3.6=1, 6446/4.6=1...(4) H PHE 83 - H LEU 24 lone 4 60 - 6 - 1684/4.6=2, 6448/4.3=1 Peak 1440 from nnoeabs.peaks (7.25, 7.82, 105.62 ppm; 3.23 A): 4 out of 7 assignments used, quality = 0.78: * H VAL 26 + H GLY 25 OK 63 100 - 63 - 4.6=34, 3.0/6489=9...(10) HE ARG 57 + H GLY 25 OK 21 93 - 23 - 5494/3.0=3, 6471/3.6=3...(10) QE PHE 96 + H GLY 25 OK 15 100 - 15 - 5494/3.0=2, 5493/3.0=2...(5) QD PHE 96 + H GLY 25 OK 11 76 - 14 - 6471/3.6=2, 5494/3.0=2...(6) HE ARG 71 - H GLY 25 lone 2 100 - 2 - QD TYR 102 - H GLY 25 lone 2 68 - 3 - QE PHE 40 - H GLY 25 lone 2 60 - 3 - Peak 1441 from nnoeabs.peaks (6.76, 7.25, 109.76 ppm; 3.03 A): 3 out of 4 assignments used, quality = 0.75: * H LEU 27 + H VAL 26 OK 64 100 - 64 - 4.7=28, 94/3.0=10...(16) HD22 ASN 99 + H VAL 26 OK 20 100 - 20 - 1.7/90=7, 5495/3.0=3...(7) HZ PHE 107 + H VAL 26 OK 14 100 - 14 - 5497/4.0=3, 5498/4.0=3...(5) HE21 GLN 42 - H VAL 26 lone 7 99 - 7 - 5497/4.0=1 Peak 1442 from nnoeabs.peaks (8.50, 6.76, 120.67 ppm; 4.30 A): 1 out of 9 assignments used, quality = 0.93: * H GLU 28 + H LEU 27 OK 93 100 - 93 - 4.6=80, 99/3.0=28...(11) H PHE 40 - H LEU 27 OK 24 97 - 25 - 4.6/6758=4, 5504/4.4=3...(8) H SER 13 - H LEU 27 OK 23 100 - 23 - 2.9/5495=4, 798/3.6=4...(9) H TYR 102 - H LEU 27 OK 21 83 - 25 - 5499/3.0=4, 4.9/7722=4...(9) H LEU 84 - H LEU 27 OK 21 100 - 21 - 5499/3.0=4, 5504/4.4=2...(8) H GLU 38 - H LEU 27 OK 18 78 - 23 - 3.0/6722=6, 3.9/95=3...(13) H LEU 77 - H LEU 27 OK 17 97 - 17 - 5499/3.0=3, 5500/4.0=2...(6) H LYS 31 - H LEU 27 OK 11 100 - 11 - 5499/3.0=2, 5500/4.0=2...(5) H GLY 2 - H LEU 27 lone 4 97 - 4 - Peak 1443 from nnoeabs.peaks (8.61, 8.50, 124.97 ppm; 3.86 A): 3 out of 4 assignments used, quality = 0.92: * H SER 29 + H GLU 28 OK 89 100 - 89 - 4.4=66, 5505/3.0=34...(9) H VAL 18 + H GLU 28 OK 12 71 - 17 - 8729/4.8=3, 5505/3.0=2...(8) H ILE 34 + H GLU 28 OK 10 73 - 14 - 3.9/102=3, 4.0/6620=2...(7) H ASN 106 - H GLU 28 lone 3 73 - 4 - 5507/3.8=1 Peak 1444 from nnoeabs.peaks (7.41, 8.49, 119.53 ppm; 3.94 A): 3 out of 6 assignments used, quality = 0.95: * H LYS 32 + H LYS 31 OK 88 100 - 88 - 4.6=61, 119/2.9=25...(13) H SER 72 + H LYS 31 OK 37 99 - 38 - 6581/3.6=7, 6582/3.9=5...(13) H GLU 75 + H LYS 31 OK 27 90 - 30 - 1645=4, 6581/3.6=4...(13) HD21 ASN 79 - H LYS 31 OK 12 99 - 12 - 5517/2.9=2, 6581/3.6=2...(5) HE21 GLN 105 - H LYS 31 lone 7 92 - 7 - 6581/3.6=1, 5517/2.9=1 H PHE 96 - H LYS 31 lone 5 85 - 6 - Peak 1445 from nnoeabs.peaks (8.10, 7.41, 116.61 ppm; 4.39 A): 1 out of 7 assignments used, quality = 0.97: * H THR 33 + H LYS 32 OK 97 100 - 97 - 4.6=89, 129/2.9=33...(11) HD22 ASN 79 - H LYS 32 OK 44 99 - 44 - 5526/2.9=8, 5527/4.0=7...(11) H LEU 24 - H LYS 32 OK 22 95 - 23 - 3.0/119=4, 3.9/905=3...(9) H LEU 55 - H LYS 32 OK 21 83 - 25 - 1027/4.7=4, 4.0/120=4...(11) H GLY 39 - H LYS 32 OK 18 100 - 18 - 5528/4.0=2, 5526/2.9=2...(9) H SER 78 - H LYS 32 OK 17 63 - 27 - 4.5/1651=5, 4.3/120=4...(12) H GLN 105 - H LYS 32 OK 12 95 - 12 - 5526/2.9=2, 5527/4.0=2...(4) Peak 1446 from nnoeabs.peaks (8.59, 8.10, 116.36 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.96: * H ILE 34 + H THR 33 OK 96 100 - 96 - 4.6=87, 5535/2.9=27...(8) H VAL 18 - H THR 33 OK 27 100 - 27 - 5536/4.0=7, 5535/2.9=7...(7) H SER 29 - H THR 33 OK 13 73 - 18 - 2.9/129=6, 888/3.6=4...(5) H GLY 86 - H THR 33 lone 4 63 - 7 - Peak 1447 from nnoeabs.peaks (8.09, 8.52, 118.38 ppm; 3.42 A): 5 out of 7 assignments used, quality = 0.79: * H GLY 39 + H GLU 38 OK 64 100 - 64 - 4.6=41, 153/3.0=12...(9) H SER 78 + H GLU 38 OK 15 76 - 20 - 366=4, 3.6/3990=3...(6) HD22 ASN 79 + H GLU 38 OK 14 97 - 14 - 152=3, 5548/3.0=2...(6) H THR 33 + H GLU 38 OK 12 100 - 12 - 130/3.9=2, 5996/3.6=2 H LEU 55 + H GLU 38 OK 11 71 - 16 - 5548/3.0=2, 3.0/151=2...(6) H LEU 24 - H GLU 38 lone 8 99 - 8 - 5548/3.0=1, 5996/3.6=1 H GLN 105 - H GLU 38 lone 7 99 - 7 - 5548/3.0=1 Peak 1448 from nnoeabs.peaks (8.49, 8.09, 108.32 ppm; 3.19 A): 3 out of 16 assignments used, quality = 0.59: * H PHE 40 + H GLY 39 OK 46 100 - 46 - 4.6=33, 1579/3.6=6...(8) H LEU 77 + H GLY 39 OK 12 81 - 15 - 1480=2, 6003/3.6=2...(4) H GLU 28 + H GLY 39 OK 12 97 - 12 - 6003/3.6=2, 5553/2.9=2 H PHE 40 - HD22 ASN 79 poor 9 63 - 15 - 158=5, 3.6/2729=3...(4) H LYS 31 - H GLY 39 lone 8 99 - 8 - 6003/3.6=2, 3.9/154=1 H TYR 102 - H GLY 39 lone 6 97 - 6 - 6003/3.6=1, 4.6/7765=1 H SER 13 - H GLY 39 lone 6 96 - 6 - 6003/3.6=2 H LEU 84 - H GLY 39 lone 6 99 - 6 - H LYS 31 - HD22 ASN 79 lone 4 60 - 6 - 4.6/1445=2, 1444/1.7=2 H LEU 77 - HD22 ASN 79 lone 4 44 - 8 - 1651/1.7=2, 364/3.5=1...(4) H LEU 84 - HD22 ASN 79 lone 3 61 - 5 - 1685/4.4=2, 404/5.6=2 H GLU 28 - HD22 ASN 79 lone 3 58 - 5 - 99/4.4=1 H TYR 102 - HD22 ASN 79 lone 3 58 - 4 - 1733/4.4=1 H SER 13 - HD22 ASN 79 lone 2 56 - 3 - H GLY 2 - H GLY 39 lone 1 100 - 1 - H GLY 2 - HD22 ASN 79 lone 0 63 - 1 - Peak 1449 from nnoeabs.peaks (8.54, 8.49, 123.07 ppm; 3.04 A): 3 out of 5 assignments used, quality = 0.73: * H LEU 41 + H PHE 40 OK 60 100 - 60 - 4.6=30, 4.7/938=9...(11) H GLU 38 + H PHE 40 OK 24 81 - 30 - 3.0/1579=6, 4.6/158=5...(11) H GLY 86 + H PHE 40 OK 10 87 - 12 - 1696=3, 5557/4.0=1...(4) H ARG 53 - H PHE 40 lone 8 100 - 8 - 5555/3.0=1, 5557/4.0=1...(4) H GLU 94 - H PHE 40 lone 7 100 - 7 - 5555/3.0=1 Peak 1450 from nnoeabs.peaks (8.05, 8.54, 122.77 ppm; 3.52 A): 3 out of 3 assignments used, quality = 0.85: * H GLN 42 + H LEU 41 OK 75 100 - 75 - 4.6=44, 5565/4.3=10...(18) H SER 112 + H LEU 41 OK 23 85 - 27 - 5561/3.0=4, 5565/4.3=3...(9) H SER 78 + H LEU 41 OK 22 85 - 26 - 1582/4.6=4, 5561/3.0=3...(9) Peak 1451 from nnoeabs.peaks (7.50, 8.05, 119.04 ppm; 3.47 A): 3 out of 3 assignments used, quality = 0.88: * H ALA 43 + H GLN 42 OK 79 100 - 79 - 4.7=42, 2.9/6817=13...(17) H GLY 104 + H GLN 42 OK 24 81 - 30 - 7779/6.5=5, 5567/3.0=4...(9) H LYS 109 + H GLN 42 OK 23 85 - 27 - 5567/3.0=4, 5568/4.0=3...(11) Peak 1452 from nnoeabs.peaks (7.95, 7.50, 118.06 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.77: * H SER 44 + H ALA 43 OK 72 100 - 72 - 183=40, 3.6/2862=21...(13) H ASP 47 + H ALA 43 OK 19 73 - 26 - 3.6/1595=6, 5573/2.9=4...(8) H ALA 89 - H ALA 43 lone 7 98 - 7 - 3.6/1599=1, 3.6/1599=1...(4) H LEU 114 - H ALA 43 lone 5 73 - 7 - 5573/2.9=2, 5572/3.0=1 H VAL 66 - H ALA 43 lone 4 93 - 4 - 5572/3.0=1 H ARG 92 - H ALA 43 lone 3 93 - 3 - Peak 1453 from nnoeabs.peaks (7.78, 7.95, 112.45 ppm; 3.47 A): 3 out of 4 assignments used, quality = 0.82: * H LEU 45 + H SER 44 OK 72 100 - 72 - 4.6=44, 4.6/962=12...(12) H GLY 48 + H SER 44 OK 22 89 - 25 - 207=6, 6815/3.6=3...(9) H ILE 124 + H SER 44 OK 21 100 - 21 - 6815/3.6=4, 5574/2.9=4...(8) HD21 ASN 106 - H SER 44 lone 4 73 - 5 - Peak 1454 from nnoeabs.peaks (6.90, 7.78, 117.28 ppm; 3.22 A): 2 out of 4 assignments used, quality = 0.74: * H LYS 46 + H LEU 45 OK 69 100 - 69 - 4.5=36, 2.9/1608=8...(18) HZ3 TRP 20 + H LEU 45 OK 15 100 - 15 - 5577/3.0=3, 5582/4.7=2...(6) HE22 GLN 103 - H LEU 45 lone 9 100 - 9 - 6819/3.6=2, 5577/3.0=1 QE TYR 102 - H LEU 45 poor 9 63 - 14 - 7760/3.0=2, 4762/4.7=2...(4) Peak 1455 from nnoeabs.peaks (7.92, 6.90, 121.36 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.87: * H ASP 47 + H LYS 46 OK 76 100 - 76 - 4.6=49, 5584/4.0=11...(14) H SER 44 + H LYS 46 OK 44 73 - 61 - 4.6/1454=13, 2.9/6819=11...(13) Peak 1456 from nnoeabs.peaks (7.77, 7.92, 110.25 ppm; 3.42 A): 3 out of 4 assignments used, quality = 0.85: * H GLY 48 + H ASP 47 OK 68 100 - 68 - 4.4=46, 4.2/984=16...(9) H LEU 45 + H ASP 47 OK 45 89 - 51 - 4.5/197=10, 186=10...(15) H ILE 124 + H ASP 47 OK 15 95 - 16 - 6854/3.6=4, 190/4.6=3...(5) H LEU 91 - H ASP 47 lone 2 81 - 2 - Peak 1457 from nnoeabs.peaks (8.25, 7.77, 103.67 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.85: * H VAL 49 + H GLY 48 OK 79 100 - 79 - 4.6=71, 6894/4.4=8...(7) H GLU 69 + H GLY 48 OK 27 97 - 28 - 6894/4.4=6, 1101/3.6=6...(7) H TRP 20 - H GLY 48 poor 8 68 - 12 - 4.4/987=3, 4.2/6878=3...(5) H ASP 100 - H GLY 48 lone 4 63 - 7 - 6894/4.4=2, 7691/4.2=1 Peak 1458 from nnoeabs.peaks (8.85, 8.25, 122.68 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.89: * H VAL 50 + H VAL 49 OK 84 100 - 84 - 4.7=67, 5599/4.0=15...(6) H ALA 14 + H VAL 49 OK 16 100 - 16 - 5597/3.0=4, 5599/4.0=4...(4) H ASN 108 + H VAL 49 OK 13 99 - 13 - 5597/3.0=3, 5599/4.0=3...(6) Peak 1459 from nnoeabs.peaks (8.42, 8.85, 119.41 ppm; 4.26 A): 2 out of 5 assignments used, quality = 0.91: * H LEU 51 + H VAL 50 OK 89 100 - 89 - 4.6=78, 4.3/3062=21...(5) H ILE 63 + H VAL 50 OK 18 92 - 20 - 5601/3.0=5, 5604/4.0=4...(8) H GLU 82 - H VAL 50 poor 8 73 - 11 - 5601/3.0=2, 5604/4.0=2...(4) H THR 95 - H VAL 50 poor 8 76 - 10 - 5601/3.0=2, 5604/4.0=2...(5) H GLN 16 - H VAL 50 lone 4 65 - 6 - 4.6/25=2 Peak 1460 from nnoeabs.peaks (7.57, 8.42, 117.45 ppm; 3.90 A): 5 out of 6 assignments used, quality = 0.88: * H CYS 52 + H LEU 51 OK 80 100 - 80 - 4.6=59, 227/3.9=19...(8) H ARG 57 + H LEU 51 OK 13 78 - 16 - 5610/4.8=3, 5605/2.9=2...(6) H LYS 119 + H LEU 51 OK 12 71 - 17 - 3.6/999=3, 604/2.9=3...(8) H SER 113 + H LEU 51 OK 12 99 - 12 - 5609/4.8=2, 5605/2.9=2...(5) H CYS 76 + H LEU 51 OK 11 99 - 11 - 5605/2.9=2, 5606/3.9=2...(6) HE3 TRP 20 - H LEU 51 lone 5 78 - 7 - 5605/2.9=2, 5606/3.9=1 Peak 1461 from nnoeabs.peaks (8.54, 7.57, 116.46 ppm; 3.50 A): 4 out of 5 assignments used, quality = 0.83: * H ARG 53 + H CYS 52 OK 71 100 - 71 - 4.6=44, 4.4/1007=14...(11) H LEU 41 + H CYS 52 OK 17 100 - 18 - 5611/3.0=3, 5613/4.0=2...(7) H GLU 94 + H CYS 52 OK 14 100 - 14 - 5611/3.0=3, 1613/4.6=2...(6) H GLY 86 + H CYS 52 OK 14 90 - 16 - 3.0/1614=2, 1613/4.6=2...(6) H GLU 38 - H CYS 52 lone 5 76 - 7 - Peak 1462 from nnoeabs.peaks (8.94, 8.54, 120.08 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.77: * H LEU 54 + H ARG 53 OK 67 100 - 67 - 4.7=40, 5616/4.0=8...(13) H PHE 107 + H ARG 53 OK 29 96 - 30 - 5614/3.0=5, 5615/4.0=5...(10) Peak 1463 from nnoeabs.peaks (8.12, 8.94, 121.12 ppm; 3.84 A): 4 out of 4 assignments used, quality = 0.93: * H LEU 55 + H LEU 54 OK 86 100 - 86 - 4.6=57, 246/4.0=14...(17) HD22 ASN 79 + H LEU 54 OK 28 93 - 30 - 5621/3.0=4, 5622/4.0=4...(10) H THR 33 + H LEU 54 OK 16 83 - 20 - 5621/3.0=3, 5622/4.0=2...(8) H GLY 39 + H LEU 54 OK 16 71 - 23 - 3.6/1018=4, 5621/3.0=3...(10) Peak 1464 from nnoeabs.peaks (7.62, 8.12, 118.27 ppm; 3.51 A): 3 out of 5 assignments used, quality = 0.82: * H GLU 56 + H LEU 55 OK 73 100 - 73 - 4.6=43, 4.2/3226=9...(13) H ARG 57 + H LEU 55 OK 23 63 - 36 - 4.6/250=10, 1638=6...(12) H LYS 119 + H LEU 55 OK 15 71 - 22 - 3.6/1631=3, 5627/3.0=3...(11) HD21 ASN 12 - H LEU 55 lone 7 100 - 7 - 5627/3.0=1 H ALA 122 - H LEU 55 lone 3 57 - 5 - 5627/3.0=1 Peak 1465 from nnoeabs.peaks (7.59, 7.62, 116.71 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: H GLU 56 + H GLU 56 OK 63 63 - 100 Reference assignment not found: H ARG 57 - H GLU 56 Peak 1466 from nnoeabs.peaks (7.72, 7.59, 117.24 ppm; 3.39 A): 3 out of 7 assignments used, quality = 0.77: * H LEU 58 + H ARG 57 OK 62 100 - 62 - 4.6=40, 266/3.7=9...(12) H ASN 118 + H ARG 57 OK 30 93 - 33 - 1521=9, 3.0/5911=3...(10) H LEU 111 + H ARG 57 OK 13 76 - 17 - 1752=2, 2.9/6218=2...(7) H SER 90 - H ARG 57 lone 9 100 - 9 - 5638/3.0=1, 5640/3.7=1 H LEU 126 - H ARG 57 lone 8 100 - 8 - 5638/3.0=1, 5640/3.7=1 H LEU 91 - H ARG 57 lone 5 73 - 6 - HE21 GLN 103 - H ARG 57 lone 3 95 - 3 - Peak 1467 from nnoeabs.peaks (8.67, 7.72, 117.75 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.82: * H LEU 59 + H LEU 58 OK 58 100 - 58 - 4.6=37, 5646/3.9=7...(9) H VAL 120 + H LEU 58 OK 34 90 - 38 - 1794=9, 4.6/263=5...(13) H LEU 117 + H LEU 58 OK 34 99 - 34 - 1520=7, 5646/3.9=3...(15) H ASN 12 - H LEU 58 lone 8 100 - 8 - 5646/3.9=1, 5648/5.0=1 Peak 1468 from nnoeabs.peaks (8.33, 10.09, 113.12 ppm; 3.64 A): 1 out of 5 assignments used, quality = 0.68: * H THR 62 + H GLY 61 OK 68 100 - 68 - 285=50, 7100/3.5=14...(6) H SER 74 - H GLY 61 lone 4 87 - 5 - 5659/3.0=1, 5658/3.0=1 H GLY 125 - H GLY 61 lone 3 100 - 3 - H ILE 22 - H GLY 61 lone 3 68 - 4 - 5659/3.0=1 H CYS 87 - H GLY 61 lone 3 76 - 4 - 288/7121=1 Peak 1469 from nnoeabs.peaks (8.44, 8.33, 116.84 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.69: * H ILE 63 + H THR 62 OK 60 100 - 61 - 4.6=35, 4.0/1065=12...(9) H GLU 82 + H THR 62 OK 20 98 - 21 - 5660/3.0=4, 3.6/1063=3...(7) H GLN 16 - H THR 62 lone 8 96 - 8 - 5660/3.0=1, 5661/3.9=1 H LEU 51 - H THR 62 lone 7 92 - 8 - 5662/4.0=2, 5661/3.9=2 Peak 1470 from nnoeabs.peaks (9.24, 8.44, 121.79 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 64 + H ILE 63 OK 100 100 - 100 - 4.6=100 Peak 1471 from nnoeabs.peaks (7.21, 9.24, 127.77 ppm; 3.44 A): 4 out of 5 assignments used, quality = 0.86: * H LYS 65 + H GLU 64 OK 77 100 - 77 - 299=50, 300/2.9=16...(13) QD PHE 107 + H GLU 64 OK 17 68 - 24 - 2.2/7159=13, 7122/3.6=2...(5) QD TYR 67 + H GLU 64 OK 16 93 - 17 - 7125/4.3=4, 7122/3.6=3...(5) QD TYR 102 + H GLU 64 OK 14 98 - 14 - 5669/2.9=2, 2.5/7156=2...(5) QE PHE 40 - H GLU 64 lone 10 99 - 10 - 7122/3.6=2, 7125/4.3=2 Peak 1472 from nnoeabs.peaks (7.96, 7.21, 119.71 ppm; 3.93 A): 4 out of 6 assignments used, quality = 0.94: * H VAL 66 + H LYS 65 OK 86 100 - 86 - 4.6=61, 306/3.0=25...(14) H LEU 114 + H LYS 65 OK 36 97 - 37 - 5674/3.0=8, 3.0/1080=5...(14) H ALA 89 + H LYS 65 OK 20 100 - 20 - 5674/3.0=4, 2.9/300=2...(9) H ARG 92 + H LYS 65 OK 16 100 - 16 - 5674/3.0=3, 5.0/7165=1...(4) H SER 44 - H LYS 65 poor 10 93 - 11 - 5674/3.0=2 HE ARG 85 - H LYS 65 lone 4 83 - 5 - Peak 1473 from nnoeabs.peaks (9.60, 7.96, 123.25 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 67 + H VAL 66 OK 100 100 - 100 - 4.4=100 Peak 1474 from nnoeabs.peaks (7.42, 9.10, 121.85 ppm; 3.23 A): 5 out of 6 assignments used, quality = 0.87: * H SER 72 + H ARG 71 OK 67 100 - 67 - 334=38, 4.3/3854=12...(10) H GLU 75 + H ARG 71 OK 33 76 - 43 - 8336=11, 4.0/8335=11...(10) HD21 ASN 79 + H ARG 71 OK 20 95 - 21 - 7269/3.9=6, 7268/3.9=4...(5) HE21 GLN 105 + H ARG 71 OK 17 99 - 17 - 334=8, 5701/3.0=2...(4) H LYS 32 + H ARG 71 OK 13 99 - 13 - 5701/3.0=2, 120/4.0=2...(4) H PHE 96 - H ARG 71 lone 2 68 - 3 - Peak 1476 from nnoeabs.peaks (8.35, 9.17, 123.84 ppm; 5.01 A): 1 out of 5 assignments used, quality = 1.00: * H SER 74 + H GLU 73 OK 100 100 - 100 - 4.6=100 H ILE 80 - H GLU 73 OK 18 63 - 29 - 7281/4.5=5, 7282/4.5=5...(9) H THR 62 - H GLU 73 OK 11 87 - 13 - 5711/3.0=3, 5713/4.1=2...(6) H GLY 125 - H GLU 73 OK 11 78 - 14 - 346=4, 3.6/345=2...(6) H VAL 115 - H GLU 73 poor 9 78 - 11 - 7282/4.5=2, 7281/4.5=2 Peak 1477 from nnoeabs.peaks (7.40, 8.35, 111.98 ppm; 3.80 A): 2 out of 12 assignments used, quality = 0.79: * H GLU 75 + H SER 74 OK 71 100 - 71 - 4.7=55, 4.6/3944=8...(10) H SER 72 + H SER 74 OK 29 76 - 38 - 4.6/346=14, 3.9/7281=12...(6) H GLU 75 - H GLY 125 poor 9 69 - 13 - 352=4, 3.6/3936=2...(4) HD21 ASN 79 - H SER 74 lone 8 97 - 8 - 5716/2.9=2 H LYS 32 - H SER 74 lone 7 90 - 8 - 5716/2.9=3 H PHE 96 - H SER 74 lone 4 100 - 4 - H SER 72 - H GLY 125 lone 2 45 - 4 - 4.6/346=1 H PHE 96 - H GLY 125 lone 2 68 - 3 - H LYS 32 - H GLY 125 lone 1 56 - 1 - HE21 GLN 16 - H SER 74 lone 1 73 - 1 - HD21 ASN 79 - H GLY 125 lone 1 64 - 1 - HE21 GLN 16 - H GLY 125 lone 0 43 - 1 - Peak 1478 from nnoeabs.peaks (7.56, 7.40, 122.83 ppm; 3.48 A): 2 out of 4 assignments used, quality = 0.76: * H CYS 76 + H GLU 75 OK 68 100 - 68 - 4.6=44, 4.3/1131=8...(13) H SER 113 + H GLU 75 OK 24 92 - 26 - 356=7, 5719/2.9=4...(9) HE3 TRP 20 - H GLU 75 poor 10 93 - 10 - 5719/2.9=2, 5720/4.0=2...(4) H CYS 52 - H GLU 75 lone 8 99 - 8 - 5719/2.9=2, 5720/4.0=1 Peak 1479 from nnoeabs.peaks (8.51, 7.56, 117.77 ppm; 3.56 A): 5 out of 16 assignments used, quality = 0.85: * H LEU 77 + H CYS 76 OK 66 100 - 66 - 4.6=45, 365/4.0=11...(10) H GLU 38 + H CYS 76 OK 26 97 - 27 - 3.0/1648=3, 6092/3.6=3...(13) H LEU 77 + H SER 113 OK 20 92 - 22 - 362=7, 4.5/1656=4...(5) H LYS 31 + H CYS 76 OK 13 95 - 14 - 1645/4.6=2, 6092/3.6=2...(6) H PHE 40 + H CYS 76 OK 11 81 - 14 - 5724/2.9=2, 4.6/1649=2...(8) H SER 13 - H CYS 76 lone 7 98 - 7 - 5725/4.0=1, 5724/2.9=1 H GLU 38 - H SER 113 lone 7 85 - 8 - 3.0/1648=1 H GLU 28 - H CYS 76 lone 6 97 - 7 - H LEU 84 - H CYS 76 lone 6 93 - 6 - H LYS 31 - H SER 113 lone 5 83 - 6 - H PHE 40 - H SER 113 lone 4 68 - 6 - 1582/4.6=2 H LEU 84 - H SER 113 lone 3 81 - 4 - H SER 13 - H SER 113 lone 3 88 - 3 - H GLU 28 - H SER 113 lone 3 85 - 3 - H GLY 2 - H CYS 76 lone 1 78 - 2 - H GLY 2 - H SER 113 lone 1 66 - 1 - Peak 1480 from nnoeabs.peaks (8.07, 8.51, 117.70 ppm; 3.62 A): 6 out of 6 assignments used, quality = 0.90: * H SER 78 + H LEU 77 OK 76 100 - 76 - 4.5=51, 4.3/1140=12...(10) H LEU 24 + H LEU 77 OK 23 92 - 25 - 5727/3.0=3, 3.9/1142=3...(11) H GLY 39 + H LEU 77 OK 18 76 - 23 - 152=3, 3.6/1653=3...(9) H GLN 105 + H LEU 77 OK 14 92 - 15 - 6099/3.6=2, 5727/3.0=2...(6) H GLN 42 + H LEU 77 OK 14 85 - 16 - 5728/4.0=2, 6099/3.6=2...(8) H THR 33 + H LEU 77 OK 12 63 - 19 - 4.6/1651=3, 5727/3.0=2...(10) Peak 1481 from nnoeabs.peaks (7.84, 8.07, 113.93 ppm; 3.60 A): 4 out of 6 assignments used, quality = 0.81: * H ASN 79 + H SER 78 OK 67 100 - 67 - 4.6=47, 4.5/4040=12...(8) H GLY 25 + H SER 78 OK 23 81 - 28 - 83=7, 4.6/370=3...(10) H PHE 83 + H SER 78 OK 17 99 - 17 - 5733/2.9=4, 5735/3.9=3...(7) HD21 ASN 99 + H SER 78 OK 12 97 - 12 - 5734/3.9=2, 7681/372=2...(5) H GLY 88 - H SER 78 lone 4 78 - 5 - HD21 ASN 106 - H SER 78 lone 1 63 - 2 - Peak 1482 from nnoeabs.peaks (8.37, 7.84, 119.43 ppm; 3.53 A): 3 out of 4 assignments used, quality = 0.84: * H ILE 80 + H ASN 79 OK 74 100 - 74 - 4.7=44, 4.7/1664=12...(14) H VAL 115 + H ASN 79 OK 22 99 - 22 - 3.6/375=3, 1659/4.6=3...(9) H THR 95 + H ASN 79 OK 19 71 - 26 - 3.0/1150=4, 4.0/8380=4...(8) H SER 74 - H ASN 79 poor 7 63 - 12 - 1659/4.6=3, 4.7/1153=3 Peak 1483 from nnoeabs.peaks (9.06, 8.37, 119.47 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.82: * H ARG 81 + H ILE 80 OK 82 100 - 82 - 4.7=51, 5740/3.9=20...(13) Peak 1484 from nnoeabs.peaks (8.45, 9.06, 117.40 ppm; 3.87 A): 4 out of 4 assignments used, quality = 0.93: * H GLU 82 + H ARG 81 OK 84 100 - 84 - 4.6=58, 4.3/4112=17...(13) H ILE 63 + H ARG 81 OK 36 98 - 37 - 289/2.9=8, 4.0/7431=4...(12) H GLN 16 + H ARG 81 OK 20 100 - 19 - 6125/3.6=3, 1669/4.7=3...(7) H LEU 51 + H ARG 81 OK 13 73 - 17 - 6125/3.6=3, 4.3/7432=3...(5) Peak 1485 from nnoeabs.peaks (7.84, 8.45, 124.13 ppm; 3.60 A): 2 out of 5 assignments used, quality = 0.86: * H PHE 83 + H GLU 82 OK 74 100 - 74 - 4.6=47, 1681/4.6=12...(13) H ASN 79 + H GLU 82 OK 46 99 - 47 - 3.0/6119=14, 1664/4.6=13...(9) HD21 ASN 99 - H GLU 82 lone 8 85 - 10 - 5752/2.9=1, 4044/6119=1 H GLY 88 - H GLU 82 lone 7 93 - 8 - 5752/2.9=1, 7430/4.6=1 H GLY 25 - H GLU 82 lone 1 60 - 2 - Peak 1486 from nnoeabs.peaks (8.49, 7.84, 121.12 ppm; 3.39 A): 3 out of 9 assignments used, quality = 0.82: * H LEU 84 + H PHE 83 OK 72 100 - 72 - 4.6=39, 4.5/1179=10...(14) H PHE 40 + H PHE 83 OK 21 99 - 21 - 1581/3.0=4, 4.5/1182=3...(6) H GLU 28 + H PHE 83 OK 19 100 - 19 - 882/3.0=3, 99/3.6=2...(8) H LEU 77 - H PHE 83 lone 8 93 - 9 - 4.5/1481=2, 3.6/6100=2 H TYR 102 - H PHE 83 lone 7 89 - 8 - 1733/3.6=1 H LYS 31 - H PHE 83 lone 4 100 - 4 - H GLU 38 - H PHE 83 lone 3 71 - 5 - 3.6/1177=1 H SER 13 - H PHE 83 lone 3 100 - 3 - H GLY 2 - H PHE 83 lone 2 99 - 2 - Peak 1487 from nnoeabs.peaks (8.75, 8.49, 120.20 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.89: * H ARG 85 + H LEU 84 OK 79 100 - 79 - 4.7=57, 4.3/1186=9...(11) H THR 23 + H LEU 84 OK 37 100 - 37 - 5763/2.9=8, 5765/4.0=6...(10) H GLU 15 + H LEU 84 OK 17 76 - 23 - 3.7/6314=2, 5763/2.9=2...(11) Peak 1488 from nnoeabs.peaks (8.56, 8.75, 122.77 ppm; 3.69 A): 3 out of 6 assignments used, quality = 0.81: * H GLY 86 + H ARG 85 OK 74 100 - 74 - 4.7=50, 1695/3.6=7...(11) H LEU 41 + H ARG 85 OK 18 87 - 21 - 1689/4.7=5, 5769/3.0=3...(10) H GLU 94 + H ARG 85 OK 12 83 - 14 - 5769/3.0=2, 6149/3.6=2...(7) H VAL 18 - H ARG 85 poor 10 65 - 15 - 3.0/412=2, 6149/3.6=2...(7) H ARG 53 - H ARG 85 lone 7 90 - 8 - 6149/3.6=1, 1689/4.7=1 H ILE 34 - H ARG 85 lone 6 63 - 10 - 3.9/1195=2, 5769/3.0=2 Peak 1489 from nnoeabs.peaks (8.30, 8.56, 108.05 ppm; 3.56 A): 3 out of 5 assignments used, quality = 0.84: * H CYS 87 + H GLY 86 OK 70 100 - 70 - 4.6=45, 428/3.0=19...(10) H ILE 22 + H GLY 86 OK 33 100 - 33 - 1437/4.7=6, 4.6/418=5...(9) H THR 62 + H GLY 86 OK 19 76 - 25 - 4.0/7506=11, 3.9/419=4...(6) H GLY 125 - H GLY 86 lone 7 85 - 9 - 3.6/1697=1 H TRP 20 - H GLY 86 poor 7 65 - 10 - 833/3.0=2, 1694/4.7=1...(4) Peak 1490 from nnoeabs.peaks (7.86, 8.30, 120.51 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.88: * H GLY 88 + H CYS 87 OK 81 100 - 81 - 4.7=41, 432/3.6=19...(14) H PHE 83 + H CYS 87 OK 36 93 - 39 - 3.0/6148=13, 5778/3.0=5...(10) H ASN 79 - H CYS 87 lone 7 78 - 9 - 1699/4.6=1, 4190/6148=1 H ASP 36 - H CYS 87 lone 3 87 - 4 - Peak 1491 from nnoeabs.peaks (7.96, 7.86, 106.36 ppm; 3.34 A): 3 out of 6 assignments used, quality = 0.82: * H ALA 89 + H GLY 88 OK 68 100 - 68 - 4.6=39, 4.5/1718=11...(12) H ARG 92 + H GLY 88 OK 30 100 - 31 - 6164/3.6=4, 4.6/7549=4...(11) H LEU 114 + H GLY 88 OK 19 92 - 20 - 433=7, 6164/3.6=2...(6) H SER 44 - H GLY 88 lone 9 98 - 9 - 3.6/1708=2, 3.6/7551=1 H VAL 66 - H GLY 88 lone 9 100 - 9 - 4.0/7554=1, 6164/3.6=1 HE ARG 85 - H GLY 88 lone 6 71 - 8 - 6.5/6157=4, 7.2/1691=1 Peak 1492 from nnoeabs.peaks (7.72, 7.96, 121.48 ppm; 3.40 A): 8 out of 14 assignments used, quality = 0.93: * H SER 90 + H ALA 89 OK 69 100 - 69 - 4.5=42, 5784/2.9=13...(11) H LEU 91 + H ALA 89 OK 36 73 - 49 - 1494=10, 4.6/436=8...(17) H SER 90 + H LEU 114 OK 22 90 - 24 - 436=7, 4.6/1494=2...(9) H LEU 111 + H LEU 114 OK 20 62 - 32 - 2.9/6219=8, 3.5/6217=6...(8) H LEU 91 + H LEU 114 OK 17 60 - 28 - 1494=6, 3.0/5788=3...(11) H ASN 118 + H LEU 114 OK 13 80 - 17 - 1786/3.0=7, 1786/4.7=2 H LEU 58 + H LEU 114 OK 13 90 - 14 - 6241/3.0=2, 7052/4.4=2...(4) H LEU 58 + H ALA 89 OK 11 100 - 11 - 5783/2.9=2, 5784/2.9=2 H LEU 111 - H ALA 89 poor 8 76 - 11 - 2.9/6219=2, 3.5/6217=2 H ASN 118 - H ALA 89 lone 7 93 - 8 - H LEU 126 - H ALA 89 lone 7 100 - 7 - 1710/4.6=1 HE21 GLN 103 - H LEU 114 lone 7 81 - 8 - ~7953=2, 752/3.0=2 H LEU 126 - H LEU 114 lone 5 90 - 6 - HE21 GLN 103 - H ALA 89 lone 2 95 - 2 - Peak 1493 from nnoeabs.peaks (7.75, 7.72, 110.55 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: H SER 90 + H SER 90 OK 73 73 - 100 Reference assignment not found: H LEU 91 - H SER 90 Peak 1494 from nnoeabs.peaks (7.96, 7.75, 120.20 ppm; 3.24 A): 4 out of 6 assignments used, quality = 0.88: * H ARG 92 + H LEU 91 OK 63 100 - 63 - 4.6=35, 4.2/4379=8...(13) H ALA 89 + H LEU 91 OK 44 100 - 45 - 436/4.6=7, 2.9/1218=6...(16) H LEU 114 + H LEU 91 OK 24 97 - 25 - 5788/3.0=3, 3.0/6241=3...(13) H VAL 66 + H LEU 91 OK 22 100 - 22 - 3.0/7583=4, 5788/3.0=3...(9) H SER 44 - H LEU 91 lone 4 93 - 4 - HE ARG 85 - H LEU 91 lone 3 83 - 4 - Peak 1495 from nnoeabs.peaks (7.09, 7.96, 116.66 ppm; 3.73 A): 3 out of 5 assignments used, quality = 0.95: * H LEU 93 + H ARG 92 OK 86 100 - 86 - 4.6=52, 451/3.0=25...(19) HE ARG 92 + H ARG 92 OK 55 92 - 59 - 6.9=16, 5794/3.0=11...(15) HZ PHE 96 + H ARG 92 OK 18 96 - 19 - 7582/4.2=4, 7581/4.2=3...(5) QD PHE 83 - H ARG 92 lone 5 78 - 6 - QD PHE 40 - H ARG 92 lone 3 63 - 5 - Peak 1496 from nnoeabs.peaks (8.54, 7.09, 119.22 ppm; 4.05 A): 3 out of 5 assignments used, quality = 0.94: * H GLU 94 + H LEU 93 OK 88 100 - 88 - 4.6=66, 459/3.0=30...(9) H ARG 53 + H LEU 93 OK 35 100 - 35 - 3.6/6943=8, 5801/3.0=5...(10) H GLY 86 + H LEU 93 OK 23 83 - 28 - 4.6/7517=6, 5806/4.7=4...(9) H LEU 41 - H LEU 93 OK 21 100 - 21 - 5801/3.0=4, 5803/3.8=3...(6) H GLU 38 - H LEU 93 OK 15 85 - 18 - 3.6/6699=3, 5802/3.8=3...(8) Peak 1497 from nnoeabs.peaks (8.40, 8.54, 123.99 ppm; 4.23 A): 3 out of 3 assignments used, quality = 0.95: * H THR 95 + H GLU 94 OK 93 100 - 93 - 4.6=77, 5807/3.0=34...(7) H LEU 51 + H GLU 94 OK 18 76 - 23 - 1613=5, 2.9/6050=3...(9) H ILE 80 + H GLU 94 OK 12 71 - 17 - 4.0/7615=5, 4.9/7615=2...(5) Peak 1498 from nnoeabs.peaks (7.39, 8.40, 115.99 ppm; 4.29 A): 2 out of 6 assignments used, quality = 0.95: * H PHE 96 + H THR 95 OK 92 100 - 92 - 4.6=79, 472/3.0=24...(6) HD21 ASN 79 + H THR 95 OK 41 95 - 44 - 7616/3.0=9, 5813/4.1=9...(11) H GLU 75 - H THR 95 lone 8 100 - 8 - 7616/3.0=2, 5813/4.1=1 H LYS 32 - H THR 95 lone 4 85 - 5 - H SER 72 - H THR 95 lone 2 68 - 2 - HE21 GLN 16 - H THR 95 lone 1 81 - 2 - Peak 1499 from nnoeabs.peaks (9.21, 7.39, 117.52 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 97 + H PHE 96 OK 100 100 - 100 - 4.4=99, 476/2.9=35...(7) H ALA 98 + H PHE 96 OK 50 100 - 50 - 5816/3.6=13, 5817/3.6=12...(8) Peak 1500 from nnoeabs.peaks (9.21, 9.21, 119.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ASP 97 + H ASP 97 OK 100 100 - 100 Reference assignment not found: H ALA 98 - H ASP 97 Peak 1501 from nnoeabs.peaks (8.79, 9.21, 128.57 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.83: * H ASN 99 + H ALA 98 OK 83 100 - 83 - 4.6=59, 488/2.9=19...(9) H GLU 15 - H ALA 98 lone 6 89 - 7 - 5825/2.9=3, 5824/3.0=2 Peak 1502 from nnoeabs.peaks (8.22, 8.79, 113.48 ppm; 3.27 A): 2 out of 4 assignments used, quality = 0.72: * H ASP 100 + H ASN 99 OK 63 100 - 63 - 4.6=36, 4.6/4626=11...(11) H MET 11 + H ASN 99 OK 24 95 - 25 - 489=10, 5826/3.0=3...(10) H LEU 21 - H ASN 99 lone 2 87 - 3 - H VAL 49 - H ASN 99 lone 1 63 - 2 - Peak 1503 from nnoeabs.peaks (6.97, 8.22, 121.30 ppm; 3.67 A): 5 out of 8 assignments used, quality = 0.91: * H LEU 101 + H ASP 100 OK 72 100 - 72 - 4.6=50, 1728/4.6=10...(9) HD22 ASN 108 + H ASP 100 OK 33 100 - 33 - 6178/3.6=5, 5829/2.9=5...(11) H LEU 101 + H MET 11 OK 28 94 - 30 - 495=11, 3.6/4632=6...(7) QE PHE 107 + H ASP 100 OK 20 89 - 23 - 6178/3.6=5, 1723/4.6=3...(8) HD22 ASN 12 + H ASP 100 OK 17 95 - 18 - 6178/3.6=3, 5829/2.9=3...(7) HD22 ASN 108 - H MET 11 lone 5 94 - 5 - QE PHE 107 - H MET 11 lone 4 80 - 5 - HD22 ASN 12 - H MET 11 lone 2 86 - 3 - Peak 1504 from nnoeabs.peaks (8.48, 6.97, 115.79 ppm; 3.52 A): 5 out of 8 assignments used, quality = 0.87: * H TYR 102 + H LEU 101 OK 71 100 - 71 - 4.6=44, 4.6/1730=10...(13) H PHE 40 + H LEU 101 OK 28 97 - 29 - 937/4.3=5, 936/3.6=5...(11) H LEU 84 + H LEU 101 OK 15 89 - 17 - 4.6/7699=3, 5836/4.7=2...(7) H LYS 31 + H LEU 101 OK 14 87 - 16 - 111/3.0=3, 3.6/1272=2...(7) H GLU 28 + H LEU 101 OK 13 83 - 16 - 3.6/1727=2, 4.3/1277=2...(7) H SER 13 - H LEU 101 poor 10 78 - 12 - 4.6/1885=3, 4.6/1879=2...(4) H GLN 16 - H LEU 101 poor 6 60 - 11 - 4.6/1728=3, 4.6/1273=1 H GLY 2 - H LEU 101 lone 3 98 - 3 - Peak 1505 from nnoeabs.peaks (7.89, 8.48, 119.10 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.90: * H GLN 103 + H TYR 102 OK 85 100 - 85 - 4.6=61, 4736/4.5=14...(11) H ASP 36 + H TYR 102 OK 32 90 - 35 - 5838/2.9=8, 5839/4.0=5...(11) Peak 1506 from nnoeabs.peaks (7.47, 7.89, 110.72 ppm; 3.36 A): 2 out of 3 assignments used, quality = 0.77: * H GLY 104 + H GLN 103 OK 67 100 - 67 - 512=39, 3.0/7769=13...(11) H LYS 109 + H GLN 103 OK 29 100 - 29 - 5843/2.9=5, 3.0/507=4...(11) H ALA 43 - H GLN 103 lone 5 81 - 7 - 5843/2.9=1, 5845/4.0=1 Peak 1507 from nnoeabs.peaks (8.09, 7.47, 107.96 ppm; 3.60 A): 4 out of 6 assignments used, quality = 0.72: * H GLN 105 + H GLY 104 OK 58 100 - 58 - 4.7=46, 7766/3.6=8...(4) H GLY 39 + H GLY 104 OK 13 99 - 13 - 4.6/7780=3, 2.9/6016=3...(6) H THR 33 + H GLY 104 OK 12 95 - 13 - 5849/3.0=2, 2.9/1294=2...(6) H SER 78 + H GLY 104 OK 12 92 - 13 - 7766/3.6=2, 7765/4.6=2...(5) H LEU 24 - H GLY 104 lone 5 100 - 5 - HD22 ASN 79 - H GLY 104 lone 5 85 - 6 - 7765/4.6=1 Peak 1508 from nnoeabs.peaks (8.63, 8.09, 117.34 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.86: * H ASN 106 + H GLN 105 OK 83 100 - 83 - 4.6=58, 5850/2.9=25...(8) H VAL 120 + H GLN 105 OK 17 89 - 19 - 5850/2.9=5, 5851/4.0=3...(7) H LEU 117 - H GLN 105 lone 6 65 - 8 - 5850/2.9=2, 4.2/1296=1 H SER 29 - H GLN 105 lone 3 73 - 4 - Peak 1509 from nnoeabs.peaks (8.95, 8.63, 115.99 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.70: * H PHE 107 + H ASN 106 OK 70 100 - 70 - 4.6=59, 533/3.9=13...(4) H LEU 54 - H ASN 106 lone 9 96 - 9 - 5855/2.9=3, 5856/3.9=2 Peak 1510 from nnoeabs.peaks (8.84, 8.95, 121.79 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.95: * H ASN 108 + H PHE 107 OK 93 100 - 93 - 4.6=76, 7830/3.6=26...(9) H ALA 14 + H PHE 107 OK 29 100 - 29 - 5858/3.0=7, 4764/4.5=6...(7) H VAL 50 - H PHE 107 OK 27 99 - 27 - 3.0/6049=8, 4.0/8237=5...(7) Peak 1511 from nnoeabs.peaks (7.48, 8.84, 116.35 ppm; 3.53 A): 2 out of 3 assignments used, quality = 0.75: * H LYS 109 + H ASN 108 OK 71 100 - 71 - 4.6=44, 546/4.0=16...(8) H GLY 104 + H ASN 108 OK 15 100 - 15 - 6192/3.6=4, 1739/4.6=3...(7) H ALA 43 - H ASN 108 lone 5 85 - 6 - 5864/3.0=1, 6192/3.6=1 Peak 1512 from nnoeabs.peaks (6.79, 7.48, 119.90 ppm; 3.23 A): 4 out of 5 assignments used, quality = 0.79: * H VAL 110 + H LYS 109 OK 64 100 - 64 - 4.7=33, 4.0/8451=14...(12) QE TYR 67 + H LYS 109 OK 20 100 - 20 - 1740/4.6=3, 4692/3.6=3...(9) HE21 GLN 42 + H LYS 109 OK 16 71 - 22 - 3.5/5571=2, 4.4/5568=2...(11) HH2 TRP 20 + H LYS 109 OK 12 100 - 12 - 5867/3.0=2, 5868/4.0=2...(5) HD22 ASN 99 - H LYS 109 lone 6 65 - 9 - 3.5/547=2, 680/4.6=1...(4) Peak 1513 from nnoeabs.peaks (7.70, 6.79, 121.06 ppm; 3.37 A): 4 out of 6 assignments used, quality = 0.86: * H LEU 111 + H VAL 110 OK 74 100 - 74 - 4.7=38, 4.3/1336=19...(12) H LEU 58 + H VAL 110 OK 23 76 - 30 - 4.8/7050=4, 6204/3.6=4...(13) H THR 121 + H VAL 110 OK 21 97 - 22 - 4.0/8073=5, 5877/4.0=3...(7) HE21 GLN 103 + H VAL 110 OK 13 97 - 13 - 1743/4.7=3, 5876/3.0=2...(6) H SER 90 - H VAL 110 lone 5 76 - 7 - 5876/3.0=1, 5878/4.0=1 H LEU 126 - H VAL 110 lone 2 71 - 3 - Peak 1514 from nnoeabs.peaks (8.03, 7.70, 118.61 ppm; 3.86 A): 4 out of 4 assignments used, quality = 0.93: * H SER 112 + H LEU 111 OK 83 100 - 83 - 4.6=58, 568/3.8=14...(11) H THR 116 + H LEU 111 OK 29 92 - 32 - 5880/2.9=6, 3.6/1338=5...(10) H GLN 42 + H LEU 111 OK 23 85 - 27 - 1591/2.9=5, 5881/3.8=4...(9) H THR 19 + H LEU 111 OK 22 92 - 24 - 49/3.8=4, 5881/3.8=3...(8) Peak 1515 from nnoeabs.peaks (7.58, 8.03, 112.26 ppm; 3.26 A): 4 out of 6 assignments used, quality = 0.78: * H SER 113 + H SER 112 OK 63 100 - 63 - 4.6=35, 1761/3.0=11...(12) H LYS 119 + H SER 112 OK 17 87 - 19 - 1792/4.6=4, 1791/3.6=3...(5) H CYS 76 + H SER 112 OK 16 92 - 17 - 572=6, 5886/3.0=2...(4) H ARG 57 + H SER 112 OK 15 92 - 16 - 1637/3.0=3, 6218/3.6=2...(7) H CYS 52 - H SER 112 lone 8 99 - 8 - 1752/4.6=1, 6218/3.6=1 HE3 TRP 20 - H SER 112 lone 3 60 - 4 - 4.3/1754=1 Peak 1516 from nnoeabs.peaks (7.97, 7.58, 117.75 ppm; 3.34 A): 4 out of 14 assignments used, quality = 0.81: * H LEU 114 + H SER 113 OK 66 100 - 66 - 4.6=38, 4.7/5048=9...(15) H LEU 114 + H CYS 76 OK 24 92 - 26 - 576=7, 3.6/1349=3...(9) H ALA 89 + H SER 113 OK 15 92 - 16 - 576=4, 6225/3.6=2...(6) H VAL 66 + H SER 113 OK 13 97 - 13 - 5891/4.0=2, 4.0/7197=2...(5) H ARG 92 - H SER 113 lone 9 97 - 9 - 5890/4.0=1, 6225/3.6=1...(4) H SER 44 - H SER 113 poor 8 73 - 11 - 6225/3.6=3, 1602/4.6=2 H VAL 66 - H CYS 76 lone 8 87 - 9 - 4.0/7197=2, 4.0/361=1, 311/4.3=1 H THR 17 - H SER 113 lone 7 78 - 9 - 3.0/6343=2, 4.0/6344=1 H THR 17 - H CYS 76 lone 5 66 - 7 - 3.0/6343=2, 4.0/6344=2 H ALA 89 - H CYS 76 lone 4 80 - 5 - 576=1 HE ARG 85 - H SER 113 lone 4 97 - 4 - H SER 44 - H CYS 76 lone 3 62 - 5 - 1604/2.9=1 H ARG 92 - H CYS 76 lone 3 87 - 3 - HE ARG 85 - H CYS 76 lone 1 87 - 1 - Peak 1517 from nnoeabs.peaks (8.37, 7.97, 121.40 ppm; 3.38 A): 4 out of 6 assignments used, quality = 0.84: * H VAL 115 + H LEU 114 OK 70 100 - 70 - 4.6=39, 582/4.0=8...(16) H ILE 80 + H LEU 114 OK 33 99 - 33 - 5892/3.0=6, 5896/4.4=5...(10) H VAL 115 + H ALA 89 OK 15 90 - 17 - 580=5, 3.6/5056=2...(5) H ILE 80 + H ALA 89 OK 10 88 - 12 - 7406/2.9=2, 7407/2.9=2 H SER 74 - H LEU 114 lone 7 78 - 9 - 5892/3.0=1, 1762/4.6=1 H SER 74 - H ALA 89 lone 1 65 - 2 - Peak 1518 from nnoeabs.peaks (8.02, 8.37, 121.97 ppm; 3.44 A): 4 out of 4 assignments used, quality = 0.90: * H THR 116 + H VAL 115 OK 70 100 - 70 - 4.6=41, 4.3/5113=13...(10) H SER 112 + H VAL 115 OK 50 92 - 54 - 3.0/6226=13, 7925=9...(11) H THR 19 + H VAL 115 OK 19 100 - 19 - 5901/4.0=3, 5898/3.0=3...(6) H THR 17 + H VAL 115 OK 16 73 - 22 - 587=5, 5901/4.0=3...(9) Peak 1519 from nnoeabs.peaks (8.66, 8.02, 118.37 ppm; 3.68 A): 4 out of 10 assignments used, quality = 0.87: * H LEU 117 + H THR 116 OK 75 100 - 75 - 4.6=52, 4.2/5122=14...(10) H VAL 120 + H THR 116 OK 31 97 - 32 - 5904/4.1=7, 1796/3.0=7...(9) H LEU 59 + H THR 116 OK 16 99 - 16 - 1772/4.6=2, 5904/4.1=2...(7) H ASN 12 + H THR 116 OK 10 98 - 10 - 5903/3.8=2, 6283/4.4=2...(6) H LEU 117 - H THR 17 lone 7 72 - 10 - 592=3 H ASN 106 - H THR 116 lone 3 65 - 5 - 5903/3.8=1 H LEU 59 - H THR 17 lone 3 70 - 4 - H VAL 120 - H THR 17 lone 3 67 - 4 - H ASN 106 - H THR 17 lone 2 40 - 5 - H ASN 12 - H THR 17 lone 1 68 - 2 - Peak 1520 from nnoeabs.peaks (7.74, 8.66, 122.46 ppm; 3.88 A): 5 out of 6 assignments used, quality = 0.95: * H ASN 118 + H LEU 117 OK 82 100 - 82 - 4.7=58, 599/4.0=12...(14) H LEU 58 + H LEU 117 OK 45 93 - 48 - 1467=12, 5905/3.0=4...(15) H LEU 91 + H LEU 117 OK 29 97 - 29 - 4.5/7590=6, 5905/3.0=4...(10) H SER 90 + H LEU 117 OK 18 93 - 20 - 5905/3.0=2, 7567/4.6=2...(6) H LEU 126 + H LEU 117 OK 13 96 - 13 - 5905/3.0=2, 5906/4.0=2...(6) HE21 GLN 103 - H LEU 117 lone 4 65 - 6 - Peak 1521 from nnoeabs.peaks (7.60, 7.74, 118.75 ppm; 3.56 A): 4 out of 6 assignments used, quality = 0.86: * H LYS 119 + H ASN 118 OK 69 100 - 69 - 4.6=45, 5913/4.0=10...(8) H ARG 57 + H ASN 118 OK 34 100 - 35 - 1466=11, 5911/3.0=4...(12) H SER 113 + H ASN 118 OK 18 87 - 21 - 4.6/1784=3, 4.0/1786=3...(7) H GLU 56 + H ASN 118 OK 15 71 - 21 - 4.6/1466=4, 3.6/8639=4...(10) H CYS 52 - H ASN 118 lone 7 71 - 10 - 3.6/1376=3, 225/3.0=2 HD21 ASN 12 - H ASN 118 lone 4 83 - 4 - Peak 1522 from nnoeabs.peaks (8.65, 7.60, 118.81 ppm; 3.28 A): 4 out of 5 assignments used, quality = 0.91: * H VAL 120 + H LYS 119 OK 67 100 - 67 - 4.6=35, 4.7/5200=7...(17) H LEU 117 + H LYS 119 OK 49 97 - 50 - 4.7/1521=7, 3.0/1788=6...(17) H LEU 59 + H LYS 119 OK 40 90 - 45 - 4.6/263=5, 7072/3.6=4...(18) H ASN 12 + H LYS 119 OK 10 85 - 12 - 5914/3.0=1, 5915/4.0=1 H ASN 106 - H LYS 119 lone 5 89 - 5 - Peak 1523 from nnoeabs.peaks (7.69, 8.65, 114.21 ppm; 3.49 A): 2 out of 3 assignments used, quality = 0.84: * H THR 121 + H VAL 120 OK 75 100 - 75 - 4.6=43, 3.9/1394=13...(11) H LEU 111 + H VAL 120 OK 35 97 - 36 - 1792/4.6=6, 6266/3.6=6...(11) HE21 GLN 103 - H VAL 120 lone 6 83 - 7 - 5923/3.0=1 Peak 1524 from nnoeabs.peaks (7.65, 7.69, 109.09 ppm; 2.97 A): 1 out of 3 assignments used, quality = 0.68: * H ALA 122 + H THR 121 OK 68 100 - 68 - 624=40, 5929/4.0=11...(10) HD21 ASN 108 - H THR 121 lone 8 100 - 8 - 5927/3.0=2, 5929/4.0=1...(5) H GLU 56 - H THR 121 poor 7 57 - 12 - 4.6/1799=2, 1797/4.6=2...(4) Peak 1525 from nnoeabs.peaks (8.16, 7.65, 125.52 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.79: * H ASP 123 + H ALA 122 OK 79 100 - 79 - 628=44, 5931/2.9=27...(8) Peak 1526 from nnoeabs.peaks (7.78, 8.16, 117.45 ppm; 3.22 A): 1 out of 4 assignments used, quality = 0.78: * H ILE 124 + H ASP 123 OK 78 100 - 78 - 633=50, 634/3.0=25...(8) H LEU 45 - H ASP 123 lone 9 100 - 9 - 3.6/1809=2, 5932/3.0=2...(4) H GLY 48 - H ASP 123 lone 5 95 - 5 - 5932/3.0=1 HD21 ASN 106 - H ASP 123 lone 2 63 - 3 - Peak 1527 from nnoeabs.peaks (8.32, 7.78, 118.86 ppm; 3.23 A): 3 out of 5 assignments used, quality = 0.77: * H GLY 125 + H ILE 124 OK 68 100 - 68 - 4.7=34, 5935/3.0=16...(10) H SER 74 + H ILE 124 OK 16 78 - 21 - 637=7, 5935/3.0=3...(9) H THR 62 + H ILE 124 OK 13 100 - 13 - 5935/3.0=3, 5937/4.0=3...(6) H CYS 87 - H ILE 124 poor 9 85 - 11 - 5935/3.0=2, 5937/4.0=2...(6) H ILE 22 - H ILE 124 lone 5 78 - 7 - 5935/3.0=1 Peak 1528 from nnoeabs.peaks (7.72, 8.32, 111.80 ppm; 3.29 A): 1 out of 14 assignments used, quality = 0.55: * H LEU 126 + H GLY 125 OK 55 100 - 56 - 644=37, 646/3.0=13...(5) H SER 90 - H GLY 125 lone 4 100 - 3 - H LEU 126 - H SER 74 lone 3 69 - 4 - 644=2 H LEU 58 - H SER 74 lone 2 69 - 3 - 7069/3.6=1 H LEU 58 - H GLY 125 lone 2 100 - 2 - H LEU 111 - H GLY 125 lone 2 71 - 2 - H ASN 118 - H GLY 125 lone 1 96 - 1 - H SER 90 - H SER 74 lone 1 69 - 2 - HE21 GLN 103 - H GLY 125 lone 1 92 - 1 - H LEU 91 - H GLY 125 lone 1 78 - 1 - H LEU 91 - H SER 74 lone 1 47 - 1 - H LEU 111 - H SER 74 lone 0 41 - 1 - H ASN 118 - H SER 74 lone 0 62 - 1 - HE21 GLN 103 - H SER 74 lone 0 58 - 0 - Peak 1533 from nnoeabs.peaks (7.99, 8.77, 119.55 ppm; 5.06 A): 4 out of 5 assignments used, quality = 0.89: * H THR 17 + H GLU 15 OK 75 100 - 75 - 1539=25, 4.6/28=24...(12) H THR 19 + H GLU 15 OK 31 73 - 43 - 5959/3.0=12, 5951/3.6=8...(7) H THR 116 + H GLU 15 OK 29 73 - 40 - 1539=9, 5959/3.0=7...(10) HE ARG 85 + H GLU 15 OK 11 96 - 12 - 5951/3.6=2, 6315/3.7=2 H LEU 114 - H GLU 15 lone 6 78 - 8 - 5951/3.6=2, 1431/4.6=2 Peak 1534 from nnoeabs.peaks (4.02, 8.45, 118.13 ppm; 3.77 A): 2 out of 7 assignments used, quality = 0.98: HA GLN 16 + H GLN 16 OK 97 97 - 100 - 3.0=100 * HA ALA 14 + H GLN 16 OK 47 100 - 48 - 3.6/28=18, 5951/4.6=9...(12) HD3 PRO 37 - H GLN 16 OK 12 78 - 15 - 26/4.6=3, 1967/4.9=1, ~2691=1 HA TYR 102 - H GLN 16 poor 9 71 - 12 - 1967/4.9=1 HA ARG 81 - H GLN 16 poor 8 60 - 13 - 2.9/1484=4, 4.9/4160=2...(6) HA THR 62 - H GLN 16 lone 6 65 - 9 - 3.0/1469=3, 3.0/5661=2...(4) HA PHE 107 - H GLN 16 lone 4 92 - 4 - 26/4.6=1 Peak 1536 from nnoeabs.peaks (4.21, 8.45, 118.13 ppm; 4.47 A): 4 out of 10 assignments used, quality = 0.89: HA THR 17 + H GLN 16 OK 59 85 - 70 - 3.0/34=23, 4.1/8472=22...(12) * HA SER 13 + H GLN 16 OK 46 100 - 46 - 5944=16, 5949/4.6=8...(11) HA VAL 26 + H GLN 16 OK 40 100 - 40 - 5944=14, 8182/4.9=8...(8) HA ILE 22 + H GLN 16 OK 13 100 - 13 - 1541/4.6=2, 3.6/28=2...(7) HA CYS 52 - H GLN 16 lone 8 99 - 8 - 1541/4.6=1 HA VAL 66 - H GLN 16 lone 5 100 - 5 - HA3 GLY 61 - H GLN 16 lone 3 78 - 4 - 3.6/1469=3 HA LEU 126 - H GLN 16 lone 2 99 - 2 - HA ALA 89 - H GLN 16 lone 2 65 - 3 - HA PRO 68 - H GLN 16 lone 1 60 - 2 - Peak 1537 from nnoeabs.peaks (8.59, 8.45, 118.13 ppm; 4.86 A): 2 out of 4 assignments used, quality = 0.80: * H VAL 18 + H GLN 16 OK 75 100 - 75 - 5956/3.6=25, 5960/3.0=22...(13) H ILE 34 + H GLN 16 OK 21 100 - 21 - 5956/3.6=6, 5960/3.0=6...(5) H GLY 86 - H GLN 16 poor 10 65 - 15 - 4.7/28=3, 1432/4.6=2...(5) H SER 29 - H GLN 16 lone 4 71 - 6 - 5956/3.6=1, 5960/3.0=1 Peak 1538 from nnoeabs.peaks (3.85, 7.99, 118.31 ppm; 4.27 A): 5 out of 20 assignments used, quality = 0.94: * HA GLU 15 + H THR 17 OK 58 100 - 59 - 3.6/34=19, 5956/4.7=16...(13) HA THR 116 + H THR 116 OK 53 53 - 100 - 3.0=100 HA THR 19 + H THR 17 OK 37 99 - 38 - 3.6/51=5, 3.0/2010=5...(11) HA THR 19 + H THR 116 OK 32 70 - 47 - 3.2/2014=6, 3.0/2010=5...(20) HA LYS 119 + H THR 116 OK 29 58 - 50 - 5127/4.1=6, 7969/4.3=5...(19) HA GLU 15 - H THR 116 OK 28 72 - 38 - 5959=7, 3.0/1539=5...(15) HA THR 116 - H THR 17 OK 16 83 - 19 - ~1974=2, 1545/4.7=2...(11) HB2 SER 13 - H THR 17 OK 15 81 - 18 - 3.0/5949=10, 1891/3.0=2...(5) HA LEU 77 - H THR 116 OK 11 65 - 18 - 6107/4.6=4, 8340/4.4=3...(4) HA THR 33 - H THR 17 OK 11 97 - 11 - 5535/4.7=4, 3.6/1432=4, 29/4.6=1 HB THR 33 - H THR 17 OK 11 96 - 11 - 5536/4.7=6, 4.6/1432=3 HA LEU 77 - H THR 17 lone 7 96 - 8 - 1545/4.7=2, 29/4.6=1, 3.0/6328=1 HA LYS 119 - H THR 17 lone 6 89 - 7 - HB2 SER 13 - H THR 116 poor 5 51 - 10 - 6288/4.3=2, 3.0/5949=2...(5) HB2 SER 35 - H THR 116 lone 4 70 - 6 - HA THR 33 - H THR 116 lone 4 66 - 6 - HB2 SER 35 - H THR 17 lone 4 99 - 4 - HB THR 33 - H THR 116 lone 3 65 - 5 - HA3 GLY 104 - H THR 17 lone 3 99 - 3 - HA3 GLY 104 - H THR 116 lone 2 70 - 3 - Peak 1539 from nnoeabs.peaks (8.77, 7.99, 118.31 ppm; 4.96 A): 4 out of 8 assignments used, quality = 0.85: * H GLU 15 + H THR 17 OK 73 100 - 73 - 28/4.6=23, 1533=23...(12) H GLU 15 + H THR 116 OK 27 72 - 38 - 1533=9, 3.0/5959=7...(10) H ARG 85 + H THR 17 OK 14 76 - 18 - 4.7/7516=3, 28/4.6=3...(7) H THR 23 + H THR 17 OK 12 71 - 17 - 3.6/1541=3, 73/3.0=2...(5) H THR 23 - H THR 116 poor 8 44 - 17 - 5983/3.0=4, 77/4.3=3...(5) H ASN 99 - H THR 17 lone 6 89 - 6 - 28/4.6=3 H ASN 99 - H THR 116 lone 3 58 - 5 - 7672/4.1=1 H ARG 85 - H THR 116 lone 3 47 - 6 - 5983/3.0=1 Peak 1540 from nnoeabs.peaks (4.02, 7.99, 118.31 ppm; 3.64 A): 2 out of 14 assignments used, quality = 0.99: HA GLN 16 + H THR 17 OK 97 97 - 100 - 3.6=100 * HA ALA 14 + H THR 17 OK 68 100 - 68 - 5951=17, 5952/4.0=16...(15) HA ALA 14 - H THR 116 OK 17 72 - 24 - 5951=5, 6297/4.3=4...(7) HA GLN 16 - H THR 116 OK 13 66 - 19 - 3.0/34=4, 5961=3...(7) HD3 PRO 37 - H THR 17 poor 10 78 - 13 - 5953/4.0=2, 6341/4.0=2...(4) HA TYR 102 - H THR 17 lone 7 71 - 9 - 7737/4.0=1, 2.9/34=1, 811/4.6=1 HA PHE 107 - H THR 17 lone 4 92 - 5 - HA ARG 81 - H THR 17 lone 3 60 - 6 - 3.6/34=2 HA THR 62 - H THR 17 lone 3 65 - 4 - 3.6/34=2 HA ARG 81 - H THR 116 lone 3 36 - 7 - 8605/4.1=2, ~1673=1 HA TYR 102 - H THR 116 lone 2 44 - 5 - HA PHE 107 - H THR 116 lone 2 61 - 3 - 8605/4.1=1 HD3 PRO 37 - H THR 116 lone 2 49 - 4 - HA THR 62 - H THR 116 lone 2 40 - 5 - 8605/4.1=2 Peak 1541 from nnoeabs.peaks (4.21, 7.99, 118.31 ppm; 3.57 A): 3 out of 20 assignments used, quality = 0.93: HA THR 17 + H THR 17 OK 85 85 - 100 - 3.0=100 * HA SER 13 + H THR 17 OK 33 100 - 33 - 5949=8, 4.9/5951=7...(10) HA VAL 26 + H THR 17 OK 26 100 - 26 - 5949=6, 8182/5.0=5...(7) HA ILE 22 - H THR 17 OK 17 100 - 17 - ~5966=2, 1983/4.0=2...(8) HA THR 17 - H THR 116 OK 15 55 - 27 - 3.0/820=5, 7975/4.3=5...(6) HA ILE 22 - H THR 116 OK 14 72 - 19 - 7975/4.3=4, 2145/4.3=3...(8) HA CYS 52 - H THR 17 lone 8 99 - 8 - ~6343=2, 1983/4.0=1 HA SER 13 - H THR 116 lone 5 72 - 8 - 4.9/5951=2, 7975/4.3=2, 5949=1 HA VAL 66 - H THR 17 lone 4 100 - 4 - HA VAL 26 - H THR 116 lone 3 71 - 4 - HA LEU 126 - H THR 17 lone 2 99 - 2 - HA CYS 52 - H THR 116 lone 2 70 - 2 - 7975/4.3=1 HA ALA 89 - H THR 17 lone 2 65 - 3 - HA VAL 66 - H THR 116 lone 2 72 - 2 - HA ALA 89 - H THR 116 lone 1 40 - 3 - HA LEU 126 - H THR 116 lone 1 70 - 2 - HA3 GLY 61 - H THR 17 lone 1 78 - 1 - HA PRO 68 - H THR 17 lone 1 60 - 1 - HA PRO 68 - H THR 116 lone 0 36 - 1 - HA3 GLY 61 - H THR 116 lone 0 49 - 1 - Peak 1543 from nnoeabs.peaks (4.03, 8.59, 122.52 ppm; 4.38 A): 4 out of 8 assignments used, quality = 0.94: * HA GLN 16 + H VAL 18 OK 72 100 - 73 - 5960=24, 3.6/1432=19...(13) HA ALA 14 + H VAL 18 OK 68 97 - 70 - 5954=30, 5952/4.6=20...(10) HD3 PRO 37 + H VAL 18 OK 20 97 - 21 - 6362/4.0=4, 6696/2601=4...(7) HA TYR 102 + H VAL 18 OK 12 93 - 12 - 7737/4.4=2, 1550/4.6=2 HA SER 112 - H VAL 18 poor 10 68 - 14 - 3.0/1433=3, 1550/4.6=2...(5) HA LYS 109 - H VAL 18 poor 8 83 - 10 - 6205/4.6=2, 5960=2 HA LEU 55 - H VAL 18 lone 7 73 - 9 - 6341/4.4=1, 1550/4.6=1 HA PHE 107 - H VAL 18 lone 5 68 - 8 - 6362/4.0=2, 6755/8728=2 Peak 1545 from nnoeabs.peaks (3.85, 8.59, 122.52 ppm; 4.02 A): 4 out of 10 assignments used, quality = 0.93: * HA GLU 15 + H VAL 18 OK 68 100 - 68 - 5956=31, 3.6/1537=14...(10) HA THR 19 + H VAL 18 OK 50 99 - 50 - 3.0/46=23, 3.6/1554=11...(9) HA THR 33 + H VAL 18 OK 34 97 - 35 - 3.0/5536=8, 5535=7...(9) HB THR 33 + H VAL 18 OK 32 96 - 34 - 5536=10, 2.1/5537=8...(9) HA THR 116 - H VAL 18 OK 19 83 - 23 - 3.0/1433=7, 828/4.6=3...(7) HA LEU 77 - H VAL 18 OK 16 96 - 17 - 3992/4.0=4, 3.0/825=4...(7) HB2 SER 13 - H VAL 18 poor 8 81 - 10 - 3.0/43=3, 5535=2, 1891/3.5=1 HA LYS 119 - H VAL 18 lone 8 89 - 8 - 828/4.6=1, 6361/4.0=1 HB2 SER 35 - H VAL 18 lone 6 99 - 6 - 5535=1 HA3 GLY 104 - H VAL 18 lone 3 99 - 3 - Peak 1546 from nnoeabs.peaks (4.02, 8.59, 122.52 ppm; 4.38 A): 3 out of 7 assignments used, quality = 0.92: * HA ALA 14 + H VAL 18 OK 71 100 - 71 - 5954=31, 5952/4.6=20...(11) HA GLN 16 + H VAL 18 OK 69 97 - 72 - 5960=24, 3.6/1432=19...(14) HD3 PRO 37 + H VAL 18 OK 15 78 - 19 - 6362/4.0=5, 6696/2601=3...(6) HA TYR 102 - H VAL 18 poor 8 71 - 11 - 1550/4.6=2, 7737/4.4=2 HA PHE 107 - H VAL 18 lone 8 92 - 8 - 6362/4.0=3, 6755/8728=2 HA ARG 81 - H VAL 18 lone 4 60 - 7 - HA THR 62 - H VAL 18 lone 3 65 - 4 - Peak 1548 from nnoeabs.peaks (4.23, 8.02, 113.87 ppm; 3.35 A): 4 out of 12 assignments used, quality = 0.84: HB THR 19 + H THR 19 OK 69 93 - 74 - 4.0=56, 2.1/2014=16...(10) * HA THR 17 + H THR 19 OK 34 100 - 34 - 3.5/46=14, 5966/4.6=6...(8) HA ILE 22 + H THR 19 OK 13 85 - 15 - 3.0/1434=3, 1555/4.6=2...(7) HA LEU 58 + H THR 19 OK 10 85 - 12 - 4.0/50=3, 4.0/50=3...(4) HA3 GLY 48 - H THR 19 poor 10 95 - 10 - 6887/3.0=3, ~6893=3, 2016/4.0=2 HA SER 13 - H THR 19 lone 7 85 - 8 - 4.9/1550=3, 43/4.6=1 HA VAL 26 - H THR 19 lone 4 93 - 4 - HA ALA 89 - H THR 19 lone 3 99 - 3 - HA CYS 52 - H THR 19 lone 2 95 - 2 - HA GLU 64 - H THR 19 lone 1 71 - 2 - HA VAL 66 - H THR 19 lone 1 83 - 2 - HA LEU 126 - H THR 19 lone 0 68 - 1 - Peak 1550 from nnoeabs.peaks (4.03, 8.02, 113.87 ppm; 4.14 A): 6 out of 8 assignments used, quality = 0.87: * HA GLN 16 + H THR 19 OK 57 100 - 57 - 5961=14, 5960/4.6=12...(13) HA ALA 14 + H THR 19 OK 41 97 - 43 - 5954/4.6=13, 5951=8...(10) HD3 PRO 37 + H THR 19 OK 17 97 - 17 - 6362/4.3=4, 5963/4.0=2...(8) HA SER 112 + H THR 19 OK 14 68 - 21 - 6229=3, 4.8/5880=2...(8) HA LYS 109 + H THR 19 OK 14 83 - 17 - 6205=4, 3.6/1747=3...(5) HA TYR 102 + H THR 19 OK 13 93 - 14 - 6378/4.0=4, 5963/4.0=3...(5) HA LEU 55 - H THR 19 poor 9 73 - 12 - 6378/4.0=3, 5963/4.0=2 HA PHE 107 - H THR 19 lone 5 68 - 7 - 6362/4.3=2, 3.7/4766=1 Peak 1551 from nnoeabs.peaks (3.85, 8.02, 113.87 ppm; 3.48 A): 2 out of 10 assignments used, quality = 1.00: HA THR 19 + H THR 19 OK 99 99 - 100 - 3.0=100 * HA GLU 15 + H THR 19 OK 50 100 - 50 - 5956/4.6=10, 5959=9...(15) HA THR 116 - H THR 19 OK 31 83 - 37 - 3.2/5126=5, 3.0/5122=5...(18) HA LEU 77 - H THR 19 OK 15 96 - 16 - 3.0/49=3, 3992/4.3=3...(7) HA LYS 119 - H THR 19 OK 14 89 - 16 - 2015/4.0=2, 2011/4.0=2, ~6250=1 HA THR 33 - H THR 19 OK 14 97 - 14 - 3.6/46=5, 5535/4.6=3...(5) HB THR 33 - H THR 19 OK 12 96 - 13 - 4.6/46=4, 5536/4.6=4...(4) HB2 SER 13 - H THR 19 lone 4 81 - 5 - 3.0/1548=1 HA3 GLY 104 - H THR 19 lone 4 99 - 3 - HB2 SER 35 - H THR 19 lone 3 99 - 3 - Peak 1554 from nnoeabs.peaks (8.59, 8.28, 125.58 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.75: * H VAL 18 + H TRP 20 OK 60 100 - 60 - 46/4.6=21, 3.5/5966=18...(11) H ILE 34 + H TRP 20 OK 30 100 - 30 - 3.0/6627=16, 46/4.6=7...(6) H GLY 86 + H TRP 20 OK 11 65 - 17 - 3.0/833=4, ~2020=2...(8) H SER 29 - H TRP 20 poor 8 71 - 11 - 4.8/833=4, 46/4.6=1 Peak 1555 from nnoeabs.peaks (4.23, 8.28, 125.58 ppm; 3.38 A): 3 out of 12 assignments used, quality = 0.84: HB THR 19 + H TRP 20 OK 63 93 - 68 - 4.4=44, 2.1/5463=18...(9) * HA THR 17 + H TRP 20 OK 45 100 - 46 - 5966=11, 5967/4.0=9...(11) HA ILE 22 + H TRP 20 OK 21 85 - 25 - ~1563=3, 2140=3...(13) HA3 GLY 48 - H TRP 20 lone 9 95 - 9 - 6887/3.6=2, 2016/4.2=2 HA CYS 52 - H TRP 20 lone 8 95 - 8 - 3.0/836=3, 5970/4.0=1 HA VAL 26 - H TRP 20 lone 7 93 - 8 - 1561/4.7=2 HA LEU 58 - H TRP 20 lone 7 85 - 8 - 4.0/7051=2, 2008/3.6=1...(4) HA SER 13 - H TRP 20 lone 5 85 - 6 - 4.9/1556=2 HA ALA 89 - H TRP 20 lone 3 99 - 3 - HA VAL 66 - H TRP 20 lone 3 83 - 4 - HA GLU 64 - H TRP 20 lone 2 71 - 3 - HA LEU 126 - H TRP 20 lone 1 68 - 1 - Peak 1556 from nnoeabs.peaks (4.03, 8.28, 125.58 ppm; 4.65 A): 6 out of 8 assignments used, quality = 0.80: * HA GLN 16 + H TRP 20 OK 60 100 - 60 - 5964=27, 5963/4.4=12...(9) HA ALA 14 + H TRP 20 OK 20 97 - 20 - 1550/4.6=6, 5954/1554=4...(5) HA TYR 102 + H TRP 20 OK 12 93 - 13 - 6378/4.2=5, 5963/4.4=3 HA LYS 109 + H TRP 20 OK 11 83 - 14 - 5964=3, 6205/4.6=3...(4) HD3 PRO 37 + H TRP 20 OK 10 97 - 10 - 5963/4.4=3, 1550/4.6=3 HA SER 112 + H TRP 20 OK 10 68 - 15 - 3.6/836=3, 3.0/51=3...(5) HA LEU 55 - H TRP 20 poor 9 73 - 12 - 6378/4.2=3, 5963/4.4=2 HA PHE 107 - H TRP 20 lone 2 68 - 3 - Peak 1558 from nnoeabs.peaks (3.84, 8.21, 116.61 ppm; 4.94 A): 6 out of 12 assignments used, quality = 0.73: * HA THR 19 + H LEU 21 OK 47 100 - 47 - 3.6/1435=35, 1565/4.6=6...(5) HA GLU 15 + H LEU 21 OK 15 99 - 15 - 52/4.7=4, 3.0/1562=3...(5) HA THR 116 + H LEU 21 OK 14 95 - 15 - 5980/4.6=5, 52/4.7=4 HA THR 33 + H LEU 21 OK 14 87 - 16 - 3.2/844=3, ~5990=3...(6) HA LYS 119 + H LEU 21 OK 11 97 - 11 - 1565/4.6=3, 5193/3.8=2...(5) HB THR 33 + H LEU 21 OK 11 85 - 12 - 2.1/844=4, ~2101=2...(5) HA LEU 77 - H LEU 21 lone 9 100 - 9 - 1565/4.6=2, 1571/1569=1...(4) HA3 GLY 104 - H LEU 21 lone 7 95 - 7 - 1.8/57=2, 4760/4.5=1, 52/4.7=1 HB3 SER 29 - H LEU 21 lone 5 57 - 8 - 4.8/57=3, 1565/4.6=2 HB2 SER 13 - H LEU 21 lone 4 63 - 6 - 1565/4.6=2, 3.0/1561=1 HB2 SER 35 - H LEU 21 lone 4 93 - 4 - HA3 GLY 88 - H LEU 21 lone 3 60 - 5 - ~1705=2, 1565/4.6=1 Peak 1560 from nnoeabs.peaks (3.48, 8.21, 116.61 ppm; 4.24 A): 3 out of 5 assignments used, quality = 0.80: * HA VAL 18 + H LEU 21 OK 63 100 - 63 - 5973=32, 6359/4.7=10...(10) HA LEU 84 + H LEU 21 OK 26 81 - 32 - 3.6/1562=6, 6417/4.7=6...(10) HD3 PRO 70 + H LEU 21 OK 26 85 - 30 - 3.8/56=4, 7277/4.7=4...(11) HB3 SER 44 - H LEU 21 lone 9 87 - 10 - 6417/4.7=2, 5977/3.8=2...(4) HB2 SER 44 - H LEU 21 lone 6 76 - 8 - 5977/3.8=1, 6417/4.7=1...(4) Peak 1561 from nnoeabs.peaks (4.23, 8.21, 116.61 ppm; 4.37 A): 4 out of 12 assignments used, quality = 0.95: * HA THR 17 + H LEU 21 OK 60 100 - 60 - 3.2/6346=22, 5967/4.5=14...(9) HA ILE 22 + H LEU 21 OK 53 85 - 63 - 3.0/65=26, 3.6/1569=21...(13) HA VAL 26 + H LEU 21 OK 53 93 - 57 - 3.2/8230=20, ~6497=9...(15) HB THR 19 + H LEU 21 OK 40 93 - 43 - 4.4/1435=24, 3.0/1558=9...(8) HA CYS 52 - H LEU 21 OK 22 95 - 24 - 3.0/60=8, ~1614=5...(9) HA LEU 58 - H LEU 21 OK 15 85 - 17 - ~5991=3, 4.3/843=2...(6) HA3 GLY 48 - H LEU 21 lone 8 95 - 8 - 6891/8230=2, 53/4.7=2 HA SER 13 - H LEU 21 lone 8 85 - 9 - 849/4.6=1 HA VAL 66 - H LEU 21 lone 6 83 - 7 - 849/4.6=1 HA ALA 89 - H LEU 21 lone 6 99 - 6 - ~6162=1 HA GLU 64 - H LEU 21 lone 6 71 - 8 - 3.9/845=1 HA LEU 126 - H LEU 21 lone 3 68 - 4 - Peak 1562 from nnoeabs.peaks (8.74, 8.21, 116.61 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.84: * H THR 23 + H LEU 21 OK 75 100 - 75 - 1569=41, 4.6/65=23...(10) H ARG 85 + H LEU 21 OK 35 100 - 35 - 1437/4.6=11, 3.6/1560=7...(8) H GLU 15 - H LEU 21 poor 10 71 - 14 - 3.0/1558=4, 1437/4.6=2...(5) Peak 1563 from nnoeabs.peaks (4.60, 8.30, 119.46 ppm; 5.58 A): 3 out of 4 assignments used, quality = 0.82: * HA TRP 20 + H ILE 22 OK 65 100 - 65 - 3.6/65=32, 1570/4.6=19...(13) HA LEU 45 + H ILE 22 OK 30 100 - 30 - 1570/4.6=8, 56/4.6=6...(7) HA GLU 69 + H ILE 22 OK 28 89 - 31 - 56/4.6=6, 3.8/1566=6...(9) HA ASP 47 - H ILE 22 lone 8 90 - 9 - 1570/4.6=2, 56/4.6=2 Peak 1564 from nnoeabs.peaks (8.28, 8.30, 119.46 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: H ILE 22 + H ILE 22 OK 73 73 - 100 Reference assignment not found: H TRP 20 - H ILE 22 Peak 1565 from nnoeabs.peaks (3.84, 8.30, 119.46 ppm; 4.16 A): 8 out of 12 assignments used, quality = 0.83: * HA THR 19 + H ILE 22 OK 39 100 - 39 - 5980=10, 1558/4.6=6...(12) HA THR 116 + H ILE 22 OK 29 95 - 31 - 5980=8, 5982/3.9=4...(9) HA LYS 119 + H ILE 22 OK 16 97 - 17 - 5982/3.9=3, 1571/4.6=2...(7) HA THR 33 + H ILE 22 OK 16 87 - 18 - 2.9/1567=4, 3.2/68=3...(8) HA GLU 15 + H ILE 22 OK 15 99 - 15 - 3.0/1437=2, 1571/4.6=2...(6) HA LEU 77 + H ILE 22 OK 14 100 - 14 - 1571/4.6=2, 5982/3.9=2...(4) HB3 SER 29 + H ILE 22 OK 12 57 - 21 - 5982/3.9=5, 6438/4.9=5...(6) HB THR 33 + H ILE 22 OK 11 85 - 13 - 2.1/68=4, 4.0/1567=3, 1558/4.6=1 HB2 SER 13 - H ILE 22 poor 9 63 - 15 - 3.0/849=2, ~1895=2...(7) HA3 GLY 88 - H ILE 22 poor 8 60 - 13 - 3.0/429=6, 3.6/1712=2 HB2 SER 35 - H ILE 22 lone 6 93 - 6 - HA3 GLY 104 - H ILE 22 lone 5 95 - 6 - 3.6/1567=2 Peak 1566 from nnoeabs.peaks (3.48, 8.30, 119.46 ppm; 5.00 A): 5 out of 5 assignments used, quality = 0.92: * HA VAL 18 + H ILE 22 OK 72 100 - 72 - 5978=23, 5973/4.6=21...(13) HA LEU 84 + H ILE 22 OK 49 81 - 61 - 3.6/1437=14, 6150=13...(16) HD3 PRO 70 + H ILE 22 OK 31 85 - 36 - 1560/4.6=6, 3.8/1563=5...(13) HB3 SER 44 + H ILE 22 OK 13 87 - 15 - 6417/5.0=3, 5977/4.6=2...(6) HB2 SER 44 + H ILE 22 OK 10 76 - 14 - 5977/4.6=2, 6440/4.9=2...(7) Peak 1567 from nnoeabs.peaks (8.09, 8.30, 119.46 ppm; 4.90 A): 6 out of 6 assignments used, quality = 0.92: * H LEU 24 + H ILE 22 OK 78 100 - 78 - 1573=27, 1574/3.6=25...(12) H THR 33 + H ILE 22 OK 27 95 - 28 - 5990/3.6=4, 5995/3.0=4...(10) H GLY 39 + H ILE 22 OK 18 99 - 19 - 5990/3.6=4, 5995/3.0=3...(5) HD22 ASN 79 + H ILE 22 OK 15 85 - 18 - 6428/4.0=4, 5995/3.0=4...(5) H GLN 105 + H ILE 22 OK 14 100 - 14 - 5995/3.0=2, 5990/3.6=2...(5) H SER 78 + H ILE 22 OK 13 92 - 14 - 1438/4.6=3, 3.6/1565=3...(4) Peak 1569 from nnoeabs.peaks (8.21, 8.74, 120.32 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.63: * H LEU 21 + H THR 23 OK 63 100 - 63 - 1562=23, 65/4.6=20...(9) H MET 11 - H THR 23 lone 10 100 - 10 - 65/4.6=6, 788/4.4=1 H ASP 100 - H THR 23 lone 5 87 - 6 - 65/4.6=3 Peak 1570 from nnoeabs.peaks (4.60, 8.74, 120.32 ppm; 4.46 A): 3 out of 4 assignments used, quality = 0.79: * HA TRP 20 + H THR 23 OK 65 100 - 66 - 5986/4.0=23, 3.6/1569=22...(7) HA LEU 45 + H THR 23 OK 29 100 - 29 - 8199/4.0=7, 5987/4.0=6...(8) HA GLU 69 + H THR 23 OK 14 89 - 16 - 1563/4.6=4, 8199/4.0=3...(6) HA ASP 47 - H THR 23 lone 7 90 - 7 - 8199/4.0=2, 5987/4.0=2...(4) Peak 1571 from nnoeabs.peaks (3.84, 8.74, 120.32 ppm; 4.39 A): 6 out of 12 assignments used, quality = 0.69: * HA THR 19 + H THR 23 OK 29 100 - 29 - 5983=8, 3.6/72=6...(6) HA THR 116 + H THR 23 OK 20 95 - 21 - 5983=5, 5982/4.4=4...(4) HA LEU 77 + H THR 23 OK 18 100 - 18 - 5727/4.6=3, 3.6/1438=3...(7) HA GLU 15 + H THR 23 OK 15 99 - 15 - 1904=2, 1565/4.6=2...(8) HA LYS 119 + H THR 23 OK 13 97 - 14 - 5982/4.4=3, 1565/4.6=2...(4) HA THR 33 + H THR 23 OK 11 87 - 13 - 2.9/1438=4, 1565/4.6=2...(5) HB3 SER 29 - H THR 23 poor 9 57 - 15 - 5982/4.4=5, 6435/4.1=5...(4) HB2 SER 13 - H THR 23 poor 8 63 - 13 - 3.0/73=2, 6288/4.1=2...(6) HB THR 33 - H THR 23 lone 6 85 - 8 - 4.0/1438=3, 1565/4.6=1 HA3 GLY 104 - H THR 23 lone 6 95 - 6 - 3.6/1438=2 HB2 SER 35 - H THR 23 lone 4 93 - 5 - HA3 GLY 88 - H THR 23 lone 3 60 - 6 - ~1708=2 Peak 1572 from nnoeabs.peaks (4.21, 8.09, 119.66 ppm; 4.97 A): 4 out of 10 assignments used, quality = 0.93: * HA ILE 22 + H LEU 24 OK 76 100 - 76 - 3.6/79=27, 3.0/1573=21...(11) HA VAL 26 + H LEU 24 OK 59 100 - 60 - 3.0/6482=17, 6489/4.7=13...(10) HA VAL 66 + H LEU 24 OK 17 100 - 17 - 73/4.6=3, 7176/4.4=2...(6) HA THR 17 + H LEU 24 OK 14 85 - 17 - 3.2/82=3, 73/4.6=2...(7) HA SER 13 - H LEU 24 lone 9 100 - 9 - 73/4.6=2, 6489/4.7=1 HA CYS 52 - H LEU 24 lone 8 99 - 9 - 73/4.6=1, 6489/4.7=1 HA LEU 126 - H LEU 24 lone 5 99 - 5 - 73/4.6=1 HA ALA 89 - H LEU 24 lone 3 65 - 5 - HA3 GLY 61 - H LEU 24 lone 3 78 - 4 - 3.6/1573=1 HA PRO 68 - H LEU 24 lone 3 60 - 4 - Peak 1573 from nnoeabs.peaks (8.30, 8.09, 119.66 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.83: * H ILE 22 + H LEU 24 OK 69 100 - 69 - 3.6/1574=21, 4.6/79=17...(12) H CYS 87 + H LEU 24 OK 31 100 - 31 - 1701/4.6=9, 6450/4.3=6...(8) H TRP 20 + H LEU 24 OK 19 73 - 27 - 3.0/1575=8, 6450/4.3=6...(5) H GLY 125 - H LEU 24 lone 5 78 - 7 - 72/4.6=1 H THR 62 - H LEU 24 lone 5 68 - 7 - 72/4.6=1 Peak 1574 from nnoeabs.peaks (3.38, 8.09, 119.66 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.75: * HA LEU 21 + H LEU 24 OK 69 100 - 69 - 6403/4.8=19, 5990=18...(11) HA VAL 50 + H LEU 24 OK 18 99 - 19 - 5994/3.9=5, 6466/4.8=4...(7) HA2 GLY 86 - H LEU 24 poor 8 65 - 12 - 3.6/1573=6, 5994/3.9=2 HB3 PHE 40 - H LEU 24 lone 6 63 - 9 - 6466/4.8=1, 4.0/158=1...(5) Peak 1575 from nnoeabs.peaks (4.60, 8.09, 119.66 ppm; 6.20 A): 4 out of 4 assignments used, quality = 0.88: * HA TRP 20 + H LEU 24 OK 70 100 - 70 - 5986/4.4=32, 8199/4.3=23...(7) HA LEU 45 + H LEU 24 OK 48 100 - 48 - 8199/4.3=11, 1570/4.6=10...(11) HA GLU 69 + H LEU 24 OK 17 89 - 19 - 1570/4.6=5, 8199/4.3=5...(5) HA ASP 47 + H LEU 24 OK 11 90 - 11 - 8199/4.3=3, 5987/4.4=3 Peak 1577 from nnoeabs.peaks (4.14, 8.09, 108.32 ppm; 5.29 A): 6 out of 28 assignments used, quality = 0.91: * HA PRO 37 + H GLY 39 OK 57 100 - 57 - 3.6/1447=22, 5996=16...(11) HB3 SER 78 + H GLY 39 OK 33 90 - 37 - 6097/2.9=8, 4.5/1154=6...(11) HA SER 78 + H GLY 39 OK 31 71 - 43 - 3.6/1154=7, ~6011=6...(14) HA GLU 28 + H GLY 39 OK 25 92 - 27 - 3.0/1448=5, 6544/2.9=4...(11) HA ILE 63 + H GLY 39 OK 24 100 - 24 - 4.2/7127=5, 145/4.6=3...(8) HA PHE 83 + HD22 ASN 79 OK 19 62 - 30 - 4190/5.6=6, ~7470=6...(8) HA PHE 83 - H GLY 39 OK 17 100 - 17 - 1581/4.6=7, 3.6/1448=2...(4) HA ILE 63 - HD22 ASN 79 OK 12 62 - 20 - 4.2/7127=7, ~7380=3...(6) HA GLU 56 - H GLY 39 OK 12 68 - 18 - 3.6/1638=4, 2.9/250=3...(6) HA PRO 37 - HD22 ASN 79 OK 12 63 - 19 - 5996=5, 3.6/1447=5...(4) HB3 SER 78 - HD22 ASN 79 OK 11 51 - 22 - 4.5/1154=16, 7361/4816=2 HA ARG 57 - H GLY 39 OK 11 60 - 19 - 3.0/1638=4, 3.0/5550=3...(6) HA SER 78 - HD22 ASN 79 poor 8 37 - 23 - 3.6/1154=18, 4684/4816=1 HA ILE 124 - H GLY 39 lone 7 100 - 7 - 1581/4.6=1 HA ALA 98 - H GLY 39 lone 7 99 - 7 - 6177/4.6=2 HA GLU 56 - HD22 ASN 79 poor 7 36 - 20 - 2.9/250=6, 3.6/1638=3...(5) HB2 SER 113 - H GLY 39 lone 7 97 - 7 - HA3 GLY 25 - H GLY 39 poor 6 60 - 10 - 3.6/6482=3, 3.0/83=3 HB3 SER 72 - H GLY 39 lone 6 100 - 6 - HA ASN 108 - H GLY 39 lone 6 100 - 6 - 6177/4.6=1 HB3 SER 72 - HD22 ASN 79 lone 5 62 - 8 - 3902/1.7=2, ~3898=1, ~3894=1 HA3 GLY 25 - HD22 ASN 79 poor 4 31 - 14 - 3.6/6482=5, 3.0/83=3...(4) HA ARG 57 - HD22 ASN 79 poor 4 31 - 12 - 3.0/1638=4, ~1640=1, 3.0/5550=1 HA ALA 98 - HD22 ASN 79 lone 3 61 - 6 - 376/5.6=2 HA ILE 124 - HD22 ASN 79 lone 3 63 - 5 - HA GLU 28 - HD22 ASN 79 lone 3 53 - 6 - 3.0/1448=1 HA ASN 108 - HD22 ASN 79 lone 3 63 - 4 - HB2 SER 113 - HD22 ASN 79 lone 3 58 - 5 - 376/5.6=1 Peak 1579 from nnoeabs.peaks (3.76, 8.49, 123.07 ppm; 4.15 A): 2 out of 11 assignments used, quality = 0.66: * HA GLU 38 + H PHE 40 OK 53 100 - 54 - 6003=17, 3.6/158=15...(9) HD2 PRO 30 + H PHE 40 OK 27 99 - 28 - 3.0/5513=4, 4676/8.2=3...(13) HB3 SER 13 - H PHE 40 lone 9 99 - 9 - 1894=2, 1586/4.6=2 HA LEU 54 - H PHE 40 lone 9 97 - 9 - 1586/4.6=2, 5621/4.6=2 HA CYS 87 - H PHE 40 lone 9 100 - 9 - 1586/4.6=3, 153/4.6=1 HA GLU 73 - H PHE 40 lone 6 92 - 6 - 6084=1, 1586/4.6=1 HB3 SER 74 - H PHE 40 lone 6 76 - 7 - 3.0/6086=1, 1.8/160=1 HB2 SER 74 - H PHE 40 lone 5 73 - 7 - 3.0/6086=1, 1.8/160=1 HB3 SER 35 - H PHE 40 lone 5 100 - 5 - HB2 SER 72 - H PHE 40 lone 3 87 - 4 - HB3 SER 90 - H PHE 40 lone 2 71 - 3 - 1.8/160=1 Peak 1581 from nnoeabs.peaks (4.14, 8.49, 123.07 ppm; 3.87 A): 5 out of 14 assignments used, quality = 0.89: * HA PRO 37 + H PHE 40 OK 66 100 - 66 - 5997=18, 5998/4.0=14...(13) HA PHE 83 + H PHE 40 OK 39 100 - 39 - 5757=6, 3.7/941=6...(10) HA GLU 28 + H PHE 40 OK 21 92 - 23 - 2304=5, 3.6/105=3...(11) HB3 SER 78 + H PHE 40 OK 17 90 - 19 - 3.9/1582=6, 6097/3.6=4...(4) HA SER 78 + H PHE 40 OK 15 71 - 21 - 2.9/1582=8, ~6017=3...(6) HA ALA 98 - H PHE 40 lone 9 99 - 9 - 6177=1, 2.1/7655=1 HA ILE 63 - H PHE 40 lone 9 100 - 9 - 1587/4.6=1 HA ASN 108 - H PHE 40 lone 8 100 - 8 - HA ILE 124 - H PHE 40 lone 7 100 - 7 - 1587/4.6=2 HB2 SER 113 - H PHE 40 lone 5 97 - 5 - HB3 SER 72 - H PHE 40 lone 4 100 - 4 - HA ARG 57 - H PHE 40 lone 2 60 - 4 - HA GLU 56 - H PHE 40 lone 2 68 - 3 - HA3 GLY 25 - H PHE 40 lone 1 60 - 2 - Peak 1582 from nnoeabs.peaks (8.05, 8.49, 123.07 ppm; 4.16 A): 3 out of 3 assignments used, quality = 0.72: * H GLN 42 + H PHE 40 OK 54 100 - 54 - 1450/4.6=15, 6011/3.6=14...(9) H SER 78 + H PHE 40 OK 29 85 - 34 - 6011/3.6=7, 6017/3.0=5...(10) H SER 112 + H PHE 40 OK 16 85 - 18 - 1450/4.6=5, 6011/3.6=4...(4) Peak 1583 from nnoeabs.peaks (3.60, 8.54, 122.77 ppm; 4.55 A): 5 out of 6 assignments used, quality = 0.87: * HA2 GLY 39 + H LEU 41 OK 68 100 - 68 - 3.6/1449=22, 6010=17...(9) HA LEU 111 + H LEU 41 OK 30 100 - 30 - 3.6/1450=7, 1591/4.6=6...(8) HD2 PRO 70 + H LEU 41 OK 20 99 - 20 - ~6024=3, 7262/4.3=3...(5) HA VAL 115 + H LEU 41 OK 20 95 - 21 - 1591/4.6=3, 5102/4.3=2...(7) HA GLU 75 + H LEU 41 OK 12 85 - 14 - 6093/4.6=3, 159/4.6=2 HA2 GLY 48 - H LEU 41 lone 6 78 - 8 - ~8423=1, 1591/4.6=1 Peak 1584 from nnoeabs.peaks (3.81, 8.54, 122.77 ppm; 4.74 A): 5 out of 11 assignments used, quality = 0.74: * HA3 GLY 39 + H LEU 41 OK 58 100 - 58 - 3.6/1449=23, 1.8/1583=18...(8) HB2 SER 29 + H LEU 41 OK 12 100 - 12 - 4.8/1586=3, 1592/4.6=2 HA2 GLY 88 + H LEU 41 OK 12 100 - 12 - 3.0/1707=3, 1592/4.6=2 HB3 SER 29 + H LEU 41 OK 12 99 - 12 - 4.8/1586=3, 1592/4.6=2 HA3 GLY 88 + H LEU 41 OK 11 99 - 11 - 3.0/1707=3, 1592/4.6=2 HA THR 116 - H LEU 41 poor 9 76 - 11 - 4.8/1583=3, 3.2/8171=3 HB2 SER 90 - H LEU 41 lone 8 98 - 8 - 1.8/1586=1, 1592/4.6=1 HB2 SER 74 - H LEU 41 lone 4 68 - 6 - 1592/4.6=1, 1.8/1586=1 HB3 SER 74 - H LEU 41 lone 4 65 - 6 - 1592/4.6=1, 1.8/1586=1 HA LYS 119 - H LEU 41 lone 3 68 - 4 - HA2 GLY 61 - H LEU 41 lone 2 93 - 2 - Peak 1585 from nnoeabs.peaks (8.09, 8.54, 122.77 ppm; 4.09 A): 5 out of 7 assignments used, quality = 0.75: * H GLY 39 + H LEU 41 OK 51 100 - 51 - 4.6/1449=14, 2.9/1583=11...(10) H LEU 55 + H LEU 41 OK 19 71 - 28 - 1629=5, 4.6/235=3...(10) H GLN 105 + H LEU 41 OK 16 99 - 16 - 4.7/1588=3, 158/4.6=2...(5) H SER 78 + H LEU 41 OK 15 76 - 20 - 1655/3.6=4, 158/4.6=3...(8) HD22 ASN 79 + H LEU 41 OK 14 97 - 14 - 158/4.6=3 H THR 33 - H LEU 41 lone 8 100 - 8 - 158/4.6=2 H LEU 24 - H LEU 41 lone 7 99 - 7 - 158/4.6=1, 1574/4.7=1 Peak 1586 from nnoeabs.peaks (3.76, 8.54, 122.77 ppm; 4.14 A): 5 out of 11 assignments used, quality = 0.81: * HA GLU 38 + H LEU 41 OK 61 100 - 61 - 6004=14, 6009/4.6=12...(15) HA CYS 87 + H LEU 41 OK 19 100 - 19 - 3.0/426=3, 3.6/1707=2...(7) HD2 PRO 30 + H LEU 41 OK 18 99 - 19 - 1579/4.6=4, 1593/4.6=4...(7) HA LEU 54 + H LEU 41 OK 18 97 - 19 - 3.0/235=5, 3.6/1629=5...(6) HB3 SER 13 + H LEU 41 OK 12 99 - 12 - 6008/4.1=2, 6289/4.3=2...(6) HA GLU 73 - H LEU 41 poor 10 92 - 10 - 6008/4.1=2, 6006/4.1=1...(5) HB3 SER 35 - H LEU 41 lone 6 100 - 6 - HB3 SER 90 - H LEU 41 lone 4 71 - 6 - 1.8/1584=2 HB3 SER 74 - H LEU 41 lone 4 76 - 5 - HB2 SER 74 - H LEU 41 lone 4 73 - 5 - HB2 SER 72 - H LEU 41 lone 3 87 - 3 - Peak 1587 from nnoeabs.peaks (4.14, 8.54, 122.77 ppm; 4.38 A): 8 out of 14 assignments used, quality = 0.93: * HA PRO 37 + H LEU 41 OK 58 100 - 58 - 5998/4.7=15, 6002=14...(13) HA PHE 83 + H LEU 41 OK 51 100 - 51 - 6147=9, 3.6/1689=8...(12) HA ILE 124 + H LEU 41 OK 25 100 - 25 - 5340/4.3=5, 5336/4.1=4...(7) HA ILE 63 + H LEU 41 OK 18 100 - 18 - 4.2/7126=5, 3.7/946=3...(6) HA GLU 28 + H LEU 41 OK 16 92 - 17 - 3.0/161=5, 1581/4.6=3...(5) HB3 SER 78 + H LEU 41 OK 13 90 - 15 - 3.9/1450=6, 1581/4.6=2 HA SER 78 + H LEU 41 OK 13 71 - 18 - 2.9/1450=7, ~5561=3...(5) HA ASN 108 + H LEU 41 OK 12 100 - 12 - 3.6/1588=4, 6203/4.6=3 HA ALA 98 - H LEU 41 lone 7 99 - 7 - 6203/4.6=1, 6177/4.6=1 HB2 SER 113 - H LEU 41 lone 6 97 - 6 - HA ARG 57 - H LEU 41 lone 4 60 - 7 - 3.0/946=1 HA GLU 56 - H LEU 41 lone 4 68 - 5 - HB3 SER 72 - H LEU 41 lone 3 100 - 3 - HA3 GLY 25 - H LEU 41 lone 1 60 - 2 - Peak 1588 from nnoeabs.peaks (7.50, 8.54, 122.77 ppm; 4.94 A): 3 out of 3 assignments used, quality = 0.89: * H ALA 43 + H LEU 41 OK 83 100 - 83 - 1596=32, 6018/3.6=26...(16) H GLY 104 + H LEU 41 OK 22 81 - 28 - 1451/4.6=6, 6018/3.6=6...(8) H LYS 109 + H LEU 41 OK 18 85 - 21 - 1451/4.6=6, 6018/3.6=4...(5) Peak 1589 from nnoeabs.peaks (4.34, 8.05, 119.04 ppm; 5.38 A): 4 out of 5 assignments used, quality = 0.95: * HA PHE 40 + H GLN 42 OK 79 100 - 80 - 3.6/1450=28, 6017=26...(8) HB THR 17 + H GLN 42 OK 55 97 - 56 - 6756/4.9=14, 6757/4.9=10...(13) HA ASP 100 + H GLN 42 OK 29 95 - 30 - 3.6/6770=10, 162/4.6=6...(6) HA CYS 76 + H GLN 42 OK 19 85 - 22 - 6099=4, 3.6/1480=3...(8) HA MET 11 - H GLN 42 lone 4 63 - 6 - Peak 1591 from nnoeabs.peaks (3.60, 8.05, 119.04 ppm; 4.37 A): 5 out of 6 assignments used, quality = 0.92: * HA2 GLY 39 + H GLN 42 OK 69 100 - 69 - 6011=27, 3.6/1582=16...(10) HA LEU 111 + H GLN 42 OK 49 100 - 49 - 5880=8, 6013/4.0=6...(16) HA GLU 75 + H GLN 42 OK 23 85 - 27 - 6093=5, 6013/4.0=3...(11) HA VAL 115 + H GLN 42 OK 23 95 - 24 - 6013/4.0=4, 1598/4.7=3...(6) HD2 PRO 70 + H GLN 42 OK 17 99 - 17 - 6013/4.0=3, 1583/4.6=3...(5) HA2 GLY 48 - H GLN 42 poor 8 78 - 11 - ~6030=2, 1598/4.7=2, 6013/4.0=1 Peak 1592 from nnoeabs.peaks (3.81, 8.05, 119.04 ppm; 4.67 A): 3 out of 11 assignments used, quality = 0.66: * HA3 GLY 39 + H GLN 42 OK 54 100 - 55 - 1.8/6011=24, 3.6/1582=18...(7) HB2 SER 29 + H GLN 42 OK 13 100 - 13 - 4.8/1593=5, 1584/4.6=2...(4) HB3 SER 29 + H GLN 42 OK 13 99 - 13 - 4.8/1593=5, 1584/4.6=2...(4) HA2 GLY 88 - H GLN 42 lone 9 100 - 9 - 1599/4.7=2, 1584/4.6=2 HA3 GLY 88 - H GLN 42 lone 9 99 - 9 - 1599/4.7=2, 1584/4.6=2 HB2 SER 74 - H GLN 42 poor 7 68 - 10 - 3.0/6091=2, 1.8/7296=2, 7296=1 HB3 SER 74 - H GLN 42 poor 7 65 - 10 - 3.0/6091=2, 1.8/7296=2, 7296=1 HA THR 116 - H GLN 42 lone 6 76 - 8 - 4.8/1591=3, 1584/4.6=1 HB2 SER 90 - H GLN 42 lone 5 98 - 5 - 1584/4.6=1 HA LYS 119 - H GLN 42 lone 4 68 - 5 - HA2 GLY 61 - H GLN 42 lone 2 93 - 2 - Peak 1593 from nnoeabs.peaks (3.76, 8.05, 119.04 ppm; 4.37 A): 4 out of 11 assignments used, quality = 0.83: * HA GLU 38 + H GLN 42 OK 66 100 - 66 - 6009=27, 6005/4.2=10...(15) HD2 PRO 30 + H GLN 42 OK 34 99 - 34 - 6595/4.0=3, 1586/4.6=3...(17) HA CYS 87 + H GLN 42 OK 15 100 - 15 - 1586/4.6=3, 6008/4.2=2...(4) HB3 SER 13 + H GLN 42 OK 11 99 - 11 - 6008/4.2=2, 1586/4.6=2...(5) HA GLU 73 - H GLN 42 lone 9 92 - 10 - 6008/4.2=2, 1586/4.6=1...(5) HA LEU 54 - H GLN 42 lone 9 97 - 9 - 1586/4.6=3, 6008/4.2=2 HB3 SER 74 - H GLN 42 lone 7 76 - 9 - 1.8/1592=2, 3.0/6091=2, 7296=1 HB2 SER 74 - H GLN 42 lone 7 73 - 9 - 3.0/6091=2, 1.8/1592=2, 7296=1 HB3 SER 35 - H GLN 42 lone 6 100 - 6 - HB2 SER 72 - H GLN 42 lone 3 87 - 4 - HB3 SER 90 - H GLN 42 lone 3 71 - 4 - 1.8/1592=1 Peak 1595 from nnoeabs.peaks (3.64, 7.50, 118.06 ppm; 4.55 A): 2 out of 4 assignments used, quality = 0.95: HA LYS 46 + H ALA 43 OK 80 99 - 80 - 6810/3.0=12, ~6812=10...(26) * HA LEU 41 + H ALA 43 OK 76 100 - 76 - 3.6/175=25, 3.0/1596=20...(16) HA ILE 80 - H ALA 43 OK 21 99 - 21 - 6129/3.6=4, 169/4.7=4...(7) HA VAL 115 - H ALA 43 OK 17 68 - 26 - 6809/2.9=3, 3.2/177=3...(11) Peak 1596 from nnoeabs.peaks (8.54, 7.50, 118.06 ppm; 4.61 A): 3 out of 5 assignments used, quality = 0.84: * H LEU 41 + H ALA 43 OK 79 100 - 79 - 1588=27, 3.6/6018=23...(16) H ARG 53 + H ALA 43 OK 13 100 - 13 - 168/4.7=4, 6961/4.6=1 H GLY 86 + H ALA 43 OK 12 87 - 14 - 3.6/958=2, 168/4.7=2...(5) H GLU 38 - H ALA 43 poor 10 81 - 12 - 168/4.7=5, 5555/6018=2...(4) H GLU 94 - H ALA 43 lone 8 100 - 7 - 168/4.7=3 Peak 1597 from nnoeabs.peaks (4.34, 7.50, 118.06 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.78: * HA PHE 40 + H ALA 43 OK 68 100 - 69 - 6018=36, 6020/2.9=23...(6) HB THR 17 + H ALA 43 OK 30 97 - 31 - 6020/2.9=10, 1604/4.6=6...(8) HA CYS 76 - H ALA 43 poor 9 85 - 11 - 6020/2.9=3, 1604/4.6=2 HA ASP 100 - H ALA 43 lone 9 95 - 10 - 1589/4.7=3, 6020/2.9=2...(4) HA MET 11 - H ALA 43 lone 3 63 - 5 - Peak 1598 from nnoeabs.peaks (3.60, 7.50, 118.06 ppm; 4.57 A): 6 out of 6 assignments used, quality = 0.85: * HA2 GLY 39 + H ALA 43 OK 56 100 - 56 - 6016=25, 1.8/1599=14...(7) HA LEU 111 + H ALA 43 OK 32 100 - 32 - 3.6/175=8, 1591/4.7=6...(8) HA VAL 115 + H ALA 43 OK 25 95 - 26 - 6013/4.6=3, 6809/2.9=3...(11) HA2 GLY 48 + H ALA 43 OK 14 78 - 18 - 3.0/1600=7, ~6815=3...(5) HD2 PRO 70 + H ALA 43 OK 12 99 - 12 - 6013/4.6=3, 1591/4.7=2...(4) HA GLU 75 + H ALA 43 OK 10 85 - 12 - 6093/4.7=3, 6013/4.6=3 Peak 1599 from nnoeabs.peaks (3.81, 7.50, 118.06 ppm; 5.02 A): 3 out of 11 assignments used, quality = 0.56: * HA3 GLY 39 + H ALA 43 OK 44 100 - 44 - 1.8/6016=28, 1592/4.7=11...(5) HA2 GLY 88 + H ALA 43 OK 12 100 - 12 - 3.6/1452=3, ~1708=2...(4) HA3 GLY 88 + H ALA 43 OK 12 99 - 12 - 3.6/1452=3, ~1708=2...(4) HB2 SER 29 - H ALA 43 lone 7 100 - 7 - 1592/4.7=3, 6575/4.6=1 HB3 SER 29 - H ALA 43 lone 7 99 - 7 - 1592/4.7=3, 6575/4.6=1 HA THR 116 - H ALA 43 lone 7 76 - 9 - 4.8/1598=4, 1592/4.7=1 HA LYS 119 - H ALA 43 lone 5 68 - 7 - HB2 SER 74 - H ALA 43 lone 4 68 - 5 - 1592/4.7=1 HB3 SER 74 - H ALA 43 lone 3 65 - 5 - 1592/4.7=1 HB2 SER 90 - H ALA 43 lone 3 98 - 3 - 1592/4.7=1 HA2 GLY 61 - H ALA 43 lone 2 93 - 2 - Peak 1600 from nnoeabs.peaks (7.78, 7.50, 118.06 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.83: * H LEU 45 + H ALA 43 OK 67 100 - 67 - 4.6/183=25, 6030/3.6=17...(10) H GLY 48 + H ALA 43 OK 28 89 - 32 - 6815/2.9=6, 6035/3.0=6...(8) H ILE 124 + H ALA 43 OK 27 100 - 27 - 6815/2.9=8, 6035/3.0=7...(5) HD21 ASN 106 - H ALA 43 poor 9 73 - 12 - 3.5/7808=2, 6035/3.0=2...(5) Peak 1601 from nnoeabs.peaks (3.21, 7.95, 112.45 ppm; 4.92 A): 4 out of 6 assignments used, quality = 0.86: * HA GLN 42 + H SER 44 OK 76 100 - 76 - 3.6/183=34, 3.0/1602=26...(9) HB3 PHE 83 + H SER 44 OK 21 100 - 21 - 1.8/963=4, 176/4.6=3...(7) HD2 ARG 71 + H SER 44 OK 18 99 - 18 - 1607/4.6=5, 176/4.6=3...(6) HB3 TRP 20 + H SER 44 OK 14 97 - 15 - 1607/4.6=5, 6.4/6818=3...(4) HD3 ARG 71 - H SER 44 poor 8 65 - 12 - 1607/4.6=3, 3.0/6822=2...(5) HD2 ARG 81 - H SER 44 lone 8 96 - 8 - 176/4.6=2, 950/1602=1 Peak 1602 from nnoeabs.peaks (8.05, 7.95, 112.45 ppm; 4.12 A): 3 out of 3 assignments used, quality = 0.78: * H GLN 42 + H SER 44 OK 68 100 - 68 - 4.7/183=20, 6817/3.6=17...(14) H SER 112 + H SER 44 OK 24 85 - 28 - 6817/3.6=6, 175/4.6=5...(10) H SER 78 + H SER 44 OK 12 85 - 14 - 6817/3.6=4, 175/4.6=3...(4) Peak 1603 from nnoeabs.peaks (3.64, 7.95, 112.45 ppm; 3.90 A): 4 out of 4 assignments used, quality = 0.94: HA LYS 46 + H SER 44 OK 71 99 - 71 - 2.9/6818=16, 5583=9...(19) * HA LEU 41 + H SER 44 OK 69 100 - 69 - 6023=21, 3.6/1602=16...(15) HA ILE 80 + H SER 44 OK 20 99 - 20 - 1608/4.6=3, 6127/4.0=3...(8) HA VAL 115 + H SER 44 OK 19 68 - 28 - 6835/2.9=3, 3.2/6824=3...(14) Peak 1604 from nnoeabs.peaks (4.34, 7.95, 112.45 ppm; 5.17 A): 3 out of 5 assignments used, quality = 0.68: * HA PHE 40 + H SER 44 OK 47 100 - 47 - 6020/3.6=25, 6018/4.6=23 HB THR 17 + H SER 44 OK 30 97 - 31 - 6020/3.6=11, 1597/4.6=7...(6) HA CYS 76 + H SER 44 OK 13 85 - 16 - 8338/4.6=6, 6020/3.6=3 HA ASP 100 - H SER 44 lone 8 95 - 8 - 6020/3.6=3, 1597/4.6=2 HA MET 11 - H SER 44 lone 3 63 - 5 - 3.0/6821=1 Peak 1605 from nnoeabs.peaks (3.92, 7.78, 117.28 ppm; 4.94 A): 6 out of 13 assignments used, quality = 0.91: * HA ALA 43 + H LEU 45 OK 76 100 - 76 - 6035=26, 3.6/1453=25...(12) HA THR 23 + H LEU 45 OK 28 93 - 30 - 6445=7, ~8199=5, ~1570=5...(8) HD3 PRO 68 + H LEU 45 OK 15 99 - 16 - 6862/4.5=4, 184/4.6=2...(6) HD2 PRO 68 + H LEU 45 OK 15 99 - 15 - 6862/4.5=4, 184/4.6=2...(6) HA ARG 85 + H LEU 45 OK 15 97 - 15 - 6158/4.6=4, 4.8/189=3...(5) HA ILE 34 + H LEU 45 OK 14 89 - 16 - 4.0/969=7, 2591/4.7=6 HA2 GLY 25 - H LEU 45 lone 5 93 - 6 - 6486/4.7=1 HB THR 62 - H LEU 45 lone 5 99 - 5 - 6862/4.5=1 HB2 SER 112 - H LEU 45 lone 4 63 - 7 - 3.0/187=2, 184/4.6=2 HB3 SER 112 - H LEU 45 lone 4 57 - 6 - 3.0/187=2, 184/4.6=1 HA SER 74 - H LEU 45 lone 2 63 - 4 - HA3 GLY 2 - H LEU 45 lone 2 89 - 2 - HA2 GLY 2 - H LEU 45 lone 2 89 - 2 - Peak 1607 from nnoeabs.peaks (3.21, 7.78, 117.28 ppm; 4.43 A): 5 out of 6 assignments used, quality = 0.86: * HA GLN 42 + H LEU 45 OK 62 100 - 62 - 6030=24, 3.6/1600=14...(10) HD2 ARG 71 + H LEU 45 OK 29 99 - 29 - 6032/4.0=9, 6848/4.7=4...(9) HB3 TRP 20 + H LEU 45 OK 29 97 - 30 - 2039/3.0=7, 6032/4.0=6...(7) HB3 PHE 83 + H LEU 45 OK 16 100 - 16 - 1.8/189=4, 1601/4.6=3...(6) HD3 ARG 71 + H LEU 45 OK 15 65 - 23 - 6032/4.0=5, 3.0/966=3...(9) HD2 ARG 81 - H LEU 45 lone 6 96 - 6 - 6032/4.0=1, 1601/4.6=1 Peak 1608 from nnoeabs.peaks (3.64, 7.78, 117.28 ppm; 4.18 A): 4 out of 4 assignments used, quality = 0.93: HA LYS 46 + H LEU 45 OK 78 99 - 78 - 2.9/1454=27, 6854=15...(21) * HA LEU 41 + H LEU 45 OK 52 100 - 52 - 6023/4.6=12, 6024/4.6=11...(11) HA ILE 80 + H LEU 45 OK 27 99 - 27 - 4.1/7395=6, 972/4.5=3...(8) HA VAL 115 + H LEU 45 OK 12 68 - 17 - 6835/3.6=3, 6025/4.6=3...(5) Peak 1609 from nnoeabs.peaks (8.42, 8.25, 122.68 ppm; 5.22 A): 3 out of 5 assignments used, quality = 0.75: * H LEU 51 + H VAL 49 OK 68 100 - 68 - 1612=32, 4.6/1458=24...(7) H ILE 63 + H VAL 49 OK 11 92 - 12 - 1459/4.7=4, 5.0/992=2...(4) H THR 95 + H VAL 49 OK 11 76 - 14 - 6895/3.6=4, 4.6/6910=2...(4) H GLU 82 - H VAL 49 lone 4 73 - 6 - 1459/4.7=2 H GLN 16 - H VAL 49 lone 3 65 - 4 - Peak 1612 from nnoeabs.peaks (8.25, 8.42, 117.45 ppm; 5.42 A): 2 out of 4 assignments used, quality = 0.78: * H VAL 49 + H LEU 51 OK 72 100 - 72 - 1609=35, 1458/4.6=26...(7) H GLU 69 + H LEU 51 OK 20 97 - 20 - 214/4.6=8, 6918/4.3=7, 324/4.5=3 H TRP 20 - H LEU 51 lone 6 68 - 9 - 836/4.6=3, 6918/4.3=1...(4) H ASP 100 - H LEU 51 lone 3 63 - 5 - 6918/4.3=2 Peak 1613 from nnoeabs.peaks (8.54, 8.42, 117.45 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.85: * H ARG 53 + H LEU 51 OK 65 100 - 65 - 1619=23, 4.6/224=18...(10) H GLY 86 + H LEU 51 OK 26 90 - 29 - 6044/3.6=6, 3.0/220=5...(9) H GLU 94 + H LEU 51 OK 26 100 - 26 - 1497=6, 6050/2.9=4...(8) H LEU 41 + H LEU 51 OK 19 100 - 19 - 1461/4.6=4, 6044/3.6=4...(6) H GLU 38 - H LEU 51 lone 6 76 - 9 - 6919/4.3=2, 6044/3.6=2...(4) Peak 1614 from nnoeabs.peaks (3.39, 7.57, 116.46 ppm; 5.53 A): 3 out of 3 assignments used, quality = 0.83: * HA VAL 50 + H CYS 52 OK 57 100 - 57 - 3.6/224=28, 1620/4.6=18...(13) HA LEU 21 + H CYS 52 OK 47 99 - 48 - 3.0/60=10, 1620/4.6=10...(12) HA2 GLY 86 + H CYS 52 OK 24 85 - 28 - 1620/4.6=8, 3.0/1461=6...(7) Peak 1616 from nnoeabs.peaks (3.26, 7.57, 116.46 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.74: * HA VAL 49 + H CYS 52 OK 74 100 - 74 - 6037=26, 6041/4.0=22...(12) Peak 1617 from nnoeabs.peaks (8.94, 7.57, 116.46 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.80: * H LEU 54 + H CYS 52 OK 70 100 - 70 - 6051/3.6=24, 1462/4.6=22...(15) H PHE 107 + H CYS 52 OK 32 96 - 33 - 1462/4.6=9, 6051/3.6=7...(8) Peak 1619 from nnoeabs.peaks (8.42, 8.54, 120.08 ppm; 4.70 A): 3 out of 5 assignments used, quality = 0.83: * H LEU 51 + H ARG 53 OK 65 100 - 65 - 1613=23, 224/4.6=18...(10) H ILE 63 + H ARG 53 OK 41 92 - 45 - 4.0/6962=10, 5.0/7126=9...(11) H THR 95 + H ARG 53 OK 18 76 - 24 - 465=5, 3.6/4512=3...(11) H GLU 82 - H ARG 53 poor 9 73 - 13 - 2.9/6145=2, 224/4.6=2...(4) H GLN 16 - H ARG 53 lone 4 65 - 7 - Peak 1620 from nnoeabs.peaks (3.39, 8.54, 120.08 ppm; 4.19 A): 3 out of 3 assignments used, quality = 0.89: * HA VAL 50 + H ARG 53 OK 73 100 - 73 - 6044=21, 6047/4.0=13...(17) HA LEU 21 + H ARG 53 OK 40 99 - 40 - 6046/4.0=7, 6048/4.0=6...(13) HA2 GLY 86 + H ARG 53 OK 33 85 - 39 - 4330=7, 6046/4.0=5...(14) Peak 1621 from nnoeabs.peaks (3.26, 8.54, 120.08 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.85: * HA VAL 49 + H ARG 53 OK 85 100 - 85 - 1616/4.6=30, 6041/4.4=29...(13) Peak 1622 from nnoeabs.peaks (8.12, 8.54, 120.08 ppm; 5.31 A): 4 out of 4 assignments used, quality = 0.92: * H LEU 55 + H ARG 53 OK 81 100 - 81 - 243/4.7=29, 1629=21...(19) HD22 ASN 79 + H ARG 53 OK 39 93 - 42 - 6058/3.6=10, 6064/3.0=7...(10) H GLY 39 + H ARG 53 OK 22 71 - 32 - 2.9/6010=4, 6064/3.0=4...(9) H THR 33 + H ARG 53 OK 15 83 - 18 - 1463/4.7=4, 6064/3.0=4...(4) Peak 1623 from nnoeabs.peaks (4.22, 8.94, 121.12 ppm; 5.04 A): 3 out of 11 assignments used, quality = 0.95: HA VAL 26 + H LEU 54 OK 77 100 - 77 - 3.2/8231=26, 3.2/8236=23...(13) * HA CYS 52 + H LEU 54 OK 69 100 - 69 - 3.6/1462=30, 3.0/1617=25...(9) HA VAL 66 + H LEU 54 OK 33 99 - 33 - 3.2/1023=7, 232/4.7=4...(9) HA ILE 22 - H LEU 54 OK 25 99 - 25 - 4.9/1626=8, 1630/4.6=5...(6) HA SER 13 - H LEU 54 OK 19 99 - 19 - 8691/4.4=3, 3.0/236=2...(8) HA LEU 126 - H LEU 54 OK 12 95 - 13 - 8427/4.4=2, 232/4.7=2...(6) HA3 GLY 48 - H LEU 54 poor 10 68 - 15 - 1.8/1625=3, 6891/8236=2 HA THR 17 - H LEU 54 lone 8 95 - 9 - 6343/1617=2, 1630/4.6=1 HA ALA 89 - H LEU 54 lone 4 81 - 5 - HB THR 19 - H LEU 54 lone 4 65 - 6 - 1630/4.6=1 HA3 GLY 61 - H LEU 54 lone 2 63 - 2 - Peak 1624 from nnoeabs.peaks (7.57, 8.94, 121.12 ppm; 4.83 A): 6 out of 6 assignments used, quality = 0.95: * H CYS 52 + H LEU 54 OK 77 100 - 77 - 1617=34, 3.6/6051=25...(15) H ARG 57 + H LEU 54 OK 49 78 - 63 - 4.6/1634=18, 1639/3.0=12...(15) H CYS 76 + H LEU 54 OK 20 99 - 21 - 231/4.7=3, 1648/3.0=3...(8) H SER 113 + H LEU 54 OK 18 99 - 18 - 231/4.7=3, 6072/3.0=2...(9) H LYS 119 + H LEU 54 OK 18 71 - 26 - 3.6/1625=5, 6976/4.8=5...(9) HE3 TRP 20 + H LEU 54 OK 14 78 - 18 - 4642/4.8=7, 4641/4.8=6 Peak 1625 from nnoeabs.peaks (3.56, 8.94, 121.12 ppm; 4.15 A): 4 out of 6 assignments used, quality = 0.90: * HA LEU 51 + H LEU 54 OK 76 100 - 76 - 6051=29, 3.6/1617=16...(13) HD2 PRO 60 + H LEU 54 OK 37 97 - 38 - 3.0/1019=6, 6053/4.0=6...(11) HA ASN 118 + H LEU 54 OK 23 97 - 24 - 6997/4.8=5, 6053/4.0=4...(7) HA GLU 75 + H LEU 54 OK 14 71 - 19 - 3.6/1023=3, 3.6/1624=2...(9) HA2 GLY 48 - H LEU 54 poor 9 78 - 12 - 6886/8236=2, 6886/8231=2...(5) HB2 ASP 47 - H LEU 54 lone 6 85 - 7 - 6871/4.0=1 Peak 1626 from nnoeabs.peaks (3.39, 8.94, 121.12 ppm; 4.77 A): 3 out of 3 assignments used, quality = 0.92: * HA VAL 50 + H LEU 54 OK 78 100 - 78 - 6049=29, 3.2/8237=18...(16) HA LEU 21 + H LEU 54 OK 49 99 - 50 - 6991/4.8=12, 3.7/1022=11...(12) HA2 GLY 86 + H LEU 54 OK 26 85 - 31 - 6046/4.4=6, 1620/4.7=6...(9) Peak 1627 from nnoeabs.peaks (7.62, 8.94, 121.12 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.88: * H GLU 56 + H LEU 54 OK 78 100 - 78 - 1634=26, 4.6/243=23...(13) H ARG 57 + H LEU 54 OK 34 63 - 55 - 4.6/1634=16, 6071/3.0=10...(11) H LYS 119 + H LEU 54 OK 16 71 - 23 - 3.6/1625=5, 1464/4.6=4...(8) HD21 ASN 12 - H LEU 54 lone 7 100 - 7 - 6071/3.0=2, 1464/4.6=2 H ALA 122 - H LEU 54 lone 3 57 - 6 - Peak 1628 from nnoeabs.peaks (3.89, 8.12, 118.27 ppm; 5.18 A): 5 out of 14 assignments used, quality = 0.94: * HA ARG 53 + H LEU 55 OK 78 100 - 78 - 3.6/243=34, 6064=21...(14) HD2 PRO 68 + H LEU 55 OK 27 71 - 38 - 2.3/3240=6, 4.8/7207=6...(13) HB3 SER 112 + H LEU 55 OK 26 100 - 26 - 3.0/1025=4, 7921/4.7=4...(11) HB2 SER 112 + H LEU 55 OK 26 100 - 26 - 3.0/1025=4, 7921/4.7=4...(11) HB3 ASN 79 + H LEU 55 OK 25 100 - 25 - 4061=4, ~3219=4...(8) HD3 PRO 68 - H LEU 55 OK 25 65 - 38 - 2.3/3240=6, 4.8/7207=6...(12) HB THR 62 - H LEU 55 OK 16 65 - 25 - ~7009=6, 7104/4.6=5...(5) HB2 SER 13 - H LEU 55 OK 12 89 - 13 - 1.8/244=2, 3.0/1630=2...(4) HB THR 95 - H LEU 55 OK 11 100 - 11 - 236/4.6=1 HA THR 33 - H LEU 55 poor 7 65 - 11 - ~3219=2, 6288/4.6=1, 236/4.6=1 HA ILE 34 - H LEU 55 lone 4 90 - 5 - HB THR 33 - H LEU 55 lone 4 68 - 6 - HA3 GLY 2 - H LEU 55 lone 3 90 - 3 - HA2 GLY 2 - H LEU 55 lone 3 90 - 3 - Peak 1629 from nnoeabs.peaks (8.54, 8.12, 118.27 ppm; 4.66 A): 5 out of 5 assignments used, quality = 0.92: * H ARG 53 + H LEU 55 OK 72 100 - 72 - 4.7/243=23, 1622=17...(18) H LEU 41 + H LEU 55 OK 37 100 - 37 - 4.5/6998=6, 1585=5...(11) H GLY 86 + H LEU 55 OK 23 90 - 26 - 8498/4.6=7, 7507/4.6=4...(7) H GLU 94 + H LEU 55 OK 22 100 - 22 - 4.6/6998=6, 235/4.6=3...(4) H GLU 38 + H LEU 55 OK 20 76 - 26 - 3.0/244=5, 151/3.0=3...(7) Peak 1630 from nnoeabs.peaks (4.22, 8.12, 118.27 ppm; 4.20 A): 6 out of 11 assignments used, quality = 0.87: * HA CYS 52 + H LEU 55 OK 49 100 - 49 - 6058=16, 3.6/1622=10...(9) HA VAL 26 + H LEU 55 OK 38 100 - 38 - 3.2/8234=10, 3.2/7006=10...(7) HA ILE 22 + H LEU 55 OK 30 99 - 31 - 2145/4.6=5, 3.2/6428=4...(10) HA VAL 66 + H LEU 55 OK 27 99 - 28 - 3.2/7200=7, 3.2/7196=6...(7) HA LEU 126 + H LEU 55 OK 10 95 - 11 - ~8639=2, 6060/4.0=2...(4) HA SER 13 + H LEU 55 OK 10 99 - 10 - 3.0/244=1, 1623/4.6=1 HA THR 17 - H LEU 55 lone 8 95 - 8 - HB THR 19 - H LEU 55 poor 7 65 - 11 - ~6378=2, ~7010=2...(4) HA3 GLY 48 - H LEU 55 lone 6 68 - 9 - 1.8/1631=2 HA ALA 89 - H LEU 55 lone 3 81 - 3 - HA3 GLY 61 - H LEU 55 lone 1 63 - 1 - Peak 1631 from nnoeabs.peaks (3.56, 8.12, 118.27 ppm; 4.39 A): 3 out of 6 assignments used, quality = 0.81: * HA LEU 51 + H LEU 55 OK 63 100 - 63 - 6056=21, 6051/4.6=17...(11) HD2 PRO 60 + H LEU 55 OK 30 97 - 31 - 6053/4.6=6, 3.0/245=5...(9) HA ASN 118 + H LEU 55 OK 28 97 - 29 - 3.6/1632=5, 6053/4.6=4...(11) HA GLU 75 - H LEU 55 poor 9 71 - 13 - 3.6/249=3, 6055/4.6=2...(5) HA2 GLY 48 - H LEU 55 poor 8 78 - 11 - 1625/4.6=1, 1.8/1630=1...(4) HB2 ASP 47 - H LEU 55 lone 7 85 - 8 - 6871/4.6=1, 6873/4.6=1 Peak 1632 from nnoeabs.peaks (7.59, 8.12, 118.27 ppm; 3.87 A): 5 out of 6 assignments used, quality = 0.90: H GLU 56 + H LEU 55 OK 51 63 - 81 - 4.6=58, 4.2/3226=12...(12) * H ARG 57 + H LEU 55 OK 50 100 - 50 - 4.6/250=13, 1638=12...(13) H CYS 52 + H LEU 55 OK 35 78 - 45 - 3.6/6056=12, 3.0/6058=11...(10) H LYS 119 + H LEU 55 OK 28 100 - 28 - 6077/3.0=5, 3.6/1631=4...(12) H SER 113 + H LEU 55 OK 15 92 - 16 - 3.6/1025=3, 6077/3.0=2...(5) HD21 ASN 12 - H LEU 55 lone 4 76 - 6 - 5627/3.0=1 Peak 1634 from nnoeabs.peaks (8.94, 7.62, 116.71 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.88: * H LEU 54 + H GLU 56 OK 85 100 - 85 - 243/4.6=30, 1627=28...(14) H PHE 107 + H GLU 56 OK 19 96 - 20 - 243/4.6=8, 5614/6065=4...(5) Peak 1635 from nnoeabs.peaks (3.89, 7.62, 116.71 ppm; 4.29 A): 7 out of 14 assignments used, quality = 0.94: * HA ARG 53 + H GLU 56 OK 74 100 - 74 - 6065=33, 3.6/1634=16...(19) HD2 PRO 68 + H GLU 56 OK 34 71 - 48 - 3.0/1035=5, 2.3/252=5...(20) HD3 PRO 68 + H GLU 56 OK 31 65 - 48 - 3.0/1035=5, 2.3/252=5...(20) HB3 SER 112 + H GLU 56 OK 19 100 - 19 - 3.0/251=3, 7921/4.8=2...(10) HB2 SER 112 + H GLU 56 OK 19 100 - 19 - 3.0/251=3, 7921/4.8=2...(10) HB THR 62 + H GLU 56 OK 14 65 - 22 - 7023/2.9=4, 7104/4.8=3...(8) HB3 ASN 79 + H GLU 56 OK 13 100 - 13 - 3.5/250=6, 4061/4.6=2 HB THR 95 - H GLU 56 lone 6 100 - 6 - HB2 SER 13 - H GLU 56 lone 4 89 - 5 - HA THR 33 - H GLU 56 lone 4 65 - 6 - 2.9/250=3 HA ILE 34 - H GLU 56 lone 3 90 - 4 - HB THR 33 - H GLU 56 lone 3 68 - 5 - 4.0/250=3 HA3 GLY 2 - H GLU 56 lone 3 90 - 3 - HA2 GLY 2 - H GLU 56 lone 3 90 - 3 - Peak 1637 from nnoeabs.peaks (4.06, 7.59, 117.24 ppm; 4.25 A): 5 out of 9 assignments used, quality = 0.83: * HA LEU 55 + H ARG 57 OK 43 100 - 43 - 3.0/1638=13, 6077=9...(9) HD3 PRO 37 + H ARG 57 OK 31 95 - 32 - 2.3/259=5, 3.0/260=4...(13) HA SER 112 + H ARG 57 OK 27 100 - 27 - 5886=6, 3.0/1515=4...(8) HA VAL 120 + H ARG 57 OK 24 68 - 35 - 3.0/609=10, 3.2/8041=6...(7) HA LYS 109 + H ARG 57 OK 21 100 - 21 - 6210=7, 8573/4.6=5 HA TYR 102 - H ARG 57 lone 9 97 - 9 - 7748/5.1=2, 8573/4.6=1 HA GLN 16 - H ARG 57 lone 6 73 - 9 - 6210=1, 4.0/262=1 HA LYS 31 - H ARG 57 lone 6 68 - 8 - 8573/4.6=2 HA SER 44 - H ARG 57 lone 4 97 - 4 - Peak 1638 from nnoeabs.peaks (8.12, 7.59, 117.24 ppm; 5.20 A): 4 out of 4 assignments used, quality = 0.82: * H LEU 55 + H ARG 57 OK 69 100 - 69 - 1464/4.6=22, 3.6/1639=15...(17) H GLY 39 + H ARG 57 OK 21 71 - 30 - 3.6/1639=9, 4.4/3299=4...(8) HD22 ASN 79 + H ARG 57 OK 17 93 - 19 - 3.5/1640=2, 5625/7033=2...(5) H THR 33 + H ARG 57 OK 10 83 - 12 - 130/4.6=1, 5625/7033=1 Peak 1639 from nnoeabs.peaks (3.75, 7.59, 117.24 ppm; 4.32 A): 4 out of 10 assignments used, quality = 0.83: * HA LEU 54 + H ARG 57 OK 63 100 - 64 - 6072=18, 3.6/1638=13...(13) HA GLU 38 + H ARG 57 OK 38 97 - 39 - 6076/3.7=7, 6074/3.7=4...(14) HA GLU 73 + H ARG 57 OK 14 100 - 14 - 6076/3.7=3, 7069/4.6=2...(4) HA CYS 87 + H ARG 57 OK 13 97 - 14 - 7069/4.6=3, 6076/3.7=2 HB3 SER 90 - H ARG 57 lone 9 93 - 10 - 3.8/1466=2, 7069/4.6=1 HD2 PRO 30 - H ARG 57 lone 7 85 - 9 - 7069/4.6=2, 3.0/5210=1 HB3 SER 13 - H ARG 57 lone 6 89 - 7 - HA3 GLY 86 - H ARG 57 lone 3 68 - 5 - HB3 SER 35 - H ARG 57 lone 3 97 - 3 - HB2 SER 72 - H ARG 57 lone 3 60 - 4 - Peak 1640 from nnoeabs.peaks (3.89, 7.59, 117.24 ppm; 4.73 A): 6 out of 14 assignments used, quality = 0.84: * HA ARG 53 + H ARG 57 OK 61 100 - 61 - 6065/4.6=18, 6070=17...(14) HB3 SER 112 + H ARG 57 OK 23 100 - 23 - 3.0/1637=6, 3.9/1515=4...(6) HB2 SER 112 + H ARG 57 OK 23 100 - 23 - 3.0/1637=6, 3.9/1515=4...(6) HD2 PRO 68 + H ARG 57 OK 12 71 - 17 - 7023/3.6=5, 6069/4.6=4...(5) HB3 ASN 79 + H ARG 57 OK 11 100 - 11 - 3.5/1638=4, 6069/4.6=1 HD3 PRO 68 + H ARG 57 OK 11 65 - 17 - 7023/3.6=5, 6069/4.6=4...(5) HB THR 62 - H ARG 57 poor 10 65 - 15 - 7023/3.6=4, 7107/4.6=2...(4) HB THR 95 - H ARG 57 lone 8 100 - 8 - 2.1/7031=2 HB2 SER 13 - H ARG 57 lone 5 89 - 6 - 1.8/1639=2 HA ILE 34 - H ARG 57 lone 4 90 - 4 - HA THR 33 - H ARG 57 lone 3 65 - 5 - 2.9/1638=2 HB THR 33 - H ARG 57 lone 3 68 - 4 - 4.0/1638=2 HA3 GLY 2 - H ARG 57 lone 2 90 - 3 - HA2 GLY 2 - H ARG 57 lone 2 90 - 3 - Peak 1643 from nnoeabs.peaks (3.74, 7.40, 122.83 ppm; 4.44 A): 4 out of 10 assignments used, quality = 0.73: * HA GLU 73 + H GLU 75 OK 42 100 - 42 - 3.6/352=22, 6079/4.6=13...(7) HA GLU 38 + H GLU 75 OK 30 92 - 33 - 3.0/1645=6, 6707/4.0=4...(12) HA LEU 54 + H GLU 75 OK 20 100 - 20 - 4.0/1133=4, 3183/5.1=3...(9) HD2 PRO 30 + H GLU 75 OK 18 76 - 23 - 3.0/7304=7, 3.6/6581=4...(6) HA CYS 87 - H GLU 75 lone 7 93 - 7 - HB3 SER 90 - H GLU 75 lone 5 97 - 5 - HB3 SER 13 - H GLU 75 lone 4 81 - 5 - 4.0/1645=1 HB3 SER 35 - H GLU 75 lone 3 92 - 3 - HA3 GLY 86 - H GLU 75 lone 2 78 - 3 - HA2 GLY 104 - H GLU 75 lone 1 60 - 2 - Peak 1645 from nnoeabs.peaks (8.51, 7.40, 122.83 ppm; 4.95 A): 6 out of 8 assignments used, quality = 0.93: * H LEU 77 + H GLU 75 OK 66 100 - 66 - 4.6/1478=21, 1651=18...(9) H GLU 38 + H GLU 75 OK 46 97 - 48 - 3.0/1643=9, 6092/2.9=8...(15) H LYS 31 + H GLU 75 OK 39 95 - 42 - 3.9/7304=7, 1444=6...(13) H PHE 40 + H GLU 75 OK 17 81 - 21 - 3.6/1129=3, 6092/2.9=3...(7) H GLU 28 + H GLU 75 OK 11 97 - 12 - 6086/3.6=2, 6092/2.9=2...(4) H LEU 84 + H GLU 75 OK 10 93 - 11 - 6092/2.9=2, 4.6/7477=1...(5) H SER 13 - H GLU 75 lone 10 98 - 10 - 6086/3.6=1, 1479/4.6=1 H GLY 2 - H GLU 75 lone 2 78 - 3 - Peak 1646 from nnoeabs.peaks (3.95, 7.56, 117.77 ppm; 4.16 A): 2 out of 14 assignments used, quality = 0.61: * HA SER 74 + H CYS 76 OK 50 100 - 50 - 3.6/1478=20, 1652/4.6=10...(8) HA SER 74 + H SER 113 OK 21 92 - 23 - 3.6/1478=7, 4.7/5719=4...(7) HA2 GLY 25 - H CYS 76 lone 8 93 - 8 - ~8338=2, 1652/4.6=2 HA THR 23 - H CYS 76 lone 7 93 - 7 - 1652/4.6=3, 3.6/1649=2 HA3 GLY 125 - H CYS 76 lone 6 100 - 6 - 1652/4.6=2, 353/4.6=1 HA2 GLY 125 - H CYS 76 lone 6 100 - 6 - 1652/4.6=2, 353/4.6=1 HA ALA 43 - H CYS 76 lone 4 63 - 6 - ~6020=2, ~1597=1 HA ARG 85 - H SER 113 lone 3 76 - 4 - 6158/4.6=2 HA ARG 85 - H CYS 76 lone 3 89 - 4 - 1652/4.6=2 HA2 GLY 125 - H SER 113 lone 3 91 - 3 - HA3 GLY 125 - H SER 113 lone 3 91 - 3 - HA2 GLY 25 - H SER 113 lone 3 81 - 3 - HA THR 23 - H SER 113 lone 3 81 - 3 - HA ALA 43 - H SER 113 lone 2 52 - 4 - 3.6/1516=1 Peak 1647 from nnoeabs.peaks (8.35, 7.56, 117.77 ppm; 4.53 A): 6 out of 10 assignments used, quality = 0.90: * H SER 74 + H CYS 76 OK 56 100 - 56 - 352/4.6=18, 3.6/6079=17...(8) H VAL 115 + H SER 113 OK 43 66 - 66 - 6226/3.6=15, 1769=13...(14) H SER 74 + H SER 113 OK 25 92 - 27 - 2.9/1646=6, 4.7/1478=6...(7) H VAL 115 + H CYS 76 OK 22 78 - 28 - 1769=5, 4.6/576=4...(10) H ILE 80 + H CYS 76 OK 16 63 - 26 - 6105/2.9=8, 4.5/1136=4...(6) H ILE 80 + H SER 113 OK 15 52 - 30 - 6226/3.6=7, 7925/4.6=5...(7) H GLY 125 - H CYS 76 lone 8 78 - 10 - 352/4.6=2, 3.0/1646=2 H GLY 125 - H SER 113 lone 7 66 - 10 - 4.5/7929=2, 3.6/1350=2 H THR 62 - H CYS 76 lone 3 87 - 4 - H THR 62 - H SER 113 lone 3 75 - 4 - Peak 1648 from nnoeabs.peaks (3.74, 7.56, 117.77 ppm; 4.12 A): 6 out of 20 assignments used, quality = 0.82: * HA GLU 73 + H CYS 76 OK 54 100 - 54 - 6079=21, 6080/4.0=14...(9) HA GLU 38 + H CYS 76 OK 32 92 - 35 - 3.0/1479=5, 1643/4.6=4...(13) HA LEU 54 + H CYS 76 OK 17 100 - 17 - 1643/4.6=3, 4.0/361=3...(8) HA GLU 73 + H SER 113 OK 12 92 - 14 - 6079=5, 3.6/1647=3 HA GLU 38 + H SER 113 OK 11 80 - 14 - 6009/4.6=3, 3.0/1479=1 HA LEU 54 + H SER 113 OK 11 91 - 12 - 3.0/1624=2, 6072=2...(5) HD2 PRO 30 - H CYS 76 poor 10 76 - 13 - 1643/4.6=3, 1653/4.6=2...(5) HB3 SER 35 - H CYS 76 lone 9 92 - 9 - 6081/4.0=2, 6083/4.0=2...(4) HD2 PRO 30 - H SER 113 poor 8 64 - 13 - 6608/3.0=2, ~6609=2...(5) HB3 SER 13 - H CYS 76 lone 8 81 - 10 - 6083/4.0=1, 6081/4.0=1...(5) HB3 SER 90 - H SER 113 lone 7 87 - 9 - 4369/3.0=2, 3.8/1759=1 HA CYS 87 - H CYS 76 lone 7 93 - 7 - 1643/4.6=1 HA CYS 87 - H SER 113 lone 6 81 - 8 - 6164/4.6=3 HB3 SER 90 - H CYS 76 lone 5 97 - 5 - HA3 GLY 86 - H SER 113 lone 3 66 - 5 - 8661/4.6=2 HA3 GLY 86 - H CYS 76 lone 3 78 - 4 - HA2 GLY 104 - H CYS 76 lone 3 60 - 5 - 3.6/1649=2 HB3 SER 13 - H SER 113 lone 2 68 - 3 - HB3 SER 35 - H SER 113 lone 2 80 - 2 - HA2 GLY 104 - H SER 113 lone 1 50 - 2 - Peak 1649 from nnoeabs.peaks (8.07, 7.56, 117.77 ppm; 4.19 A): 7 out of 12 assignments used, quality = 0.84: * H SER 78 + H CYS 76 OK 53 100 - 53 - 1656=18, 4.5/362=14...(7) H SER 78 + H SER 113 OK 28 92 - 31 - 1656=10, 4.5/362=4...(9) H GLY 39 + H CYS 76 OK 20 76 - 27 - 6093/3.6=4, 3.6/1648=4...(10) H LEU 24 + H CYS 76 OK 15 92 - 16 - 1480/4.6=3, 6099/2.9=3...(5) H GLN 105 + H CYS 76 OK 13 92 - 14 - 6099/2.9=3, 1480/4.6=2...(5) H GLN 42 + H CYS 76 OK 13 85 - 15 - 6093/3.6=4, 6099/2.9=3 H THR 33 + H CYS 76 OK 10 63 - 16 - 4.6/356=2, 1480/4.6=2...(9) H GLN 42 - H SER 113 lone 6 73 - 8 - H GLY 39 - H SER 113 lone 5 64 - 9 - 3.6/1648=1 H LEU 24 - H SER 113 lone 5 80 - 6 - H THR 33 - H SER 113 lone 4 52 - 8 - 3.6/1349=1, 5.0/7323=1 H GLN 105 - H SER 113 lone 3 80 - 4 - Peak 1651 from nnoeabs.peaks (7.40, 8.51, 117.70 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.88: * H GLU 75 + H LEU 77 OK 67 100 - 67 - 1478/4.6=22, 3.6/1652=18...(9) H LYS 32 + H LEU 77 OK 46 90 - 50 - 118=8, 4.7/1141=6...(16) HD21 ASN 79 + H LEU 77 OK 33 97 - 34 - 7330/3.6=13, 356/4.6=6...(6) H SER 72 - H LEU 77 poor 10 76 - 13 - 7330/3.6=2, 356/4.6=2...(4) H PHE 96 - H LEU 77 lone 10 100 - 10 - 7330/3.6=3, 356/4.6=2 HE21 GLN 16 - H LEU 77 lone 1 73 - 2 - Peak 1652 from nnoeabs.peaks (3.95, 8.51, 117.70 ppm; 4.25 A): 6 out of 7 assignments used, quality = 0.85: * HA SER 74 + H LEU 77 OK 69 100 - 69 - 6089/4.0=17, 6086=16...(10) HA THR 23 + H LEU 77 OK 18 93 - 19 - 3.6/1480=5, 1658/4.5=3...(8) HA2 GLY 125 + H LEU 77 OK 13 100 - 13 - 7353/4.7=3, 6088/4.0=3...(6) HA3 GLY 125 + H LEU 77 OK 13 100 - 13 - 7353/4.7=3, 6088/4.0=3...(6) HA2 GLY 25 + H LEU 77 OK 12 93 - 13 - 1658/4.5=3, 6088/4.0=2...(6) HA ARG 85 + H LEU 77 OK 10 89 - 12 - 3.0/411=2, 3.6/1696=1...(4) HA ALA 43 - H LEU 77 lone 5 63 - 8 - 2.1/6816=3, 1658/4.5=1 Peak 1653 from nnoeabs.peaks (3.74, 8.51, 117.70 ppm; 4.80 A): 6 out of 10 assignments used, quality = 0.86: * HA GLU 73 + H LEU 77 OK 61 100 - 61 - 6084=23, 6080/4.7=16...(10) HA GLU 38 + H LEU 77 OK 35 92 - 38 - 6003=5, 6083/4.7=4...(13) HD2 PRO 30 + H LEU 77 OK 17 76 - 23 - 3.0/5513=3, 2.3/5515=2...(10) HA LEU 54 + H LEU 77 OK 17 100 - 17 - 4.0/1144=4, 3183/4.7=3...(6) HB3 SER 35 + H LEU 77 OK 13 92 - 14 - 1894=2, 6081/4.7=2...(7) HB3 SER 13 + H LEU 77 OK 10 81 - 13 - 1894=2, 6083/4.7=2...(7) HA2 GLY 104 - H LEU 77 poor 7 60 - 12 - 3.6/1480=3, 1.8/1139=2...(6) HA CYS 87 - H LEU 77 lone 6 93 - 7 - HB3 SER 90 - H LEU 77 lone 4 97 - 4 - HA3 GLY 86 - H LEU 77 lone 4 78 - 5 - 3.0/1696=2 Peak 1655 from nnoeabs.peaks (4.36, 8.07, 113.93 ppm; 4.50 A): 4 out of 9 assignments used, quality = 0.74: * HA CYS 76 + H SER 78 OK 53 100 - 53 - 3.6/1480=17, 2.9/1656=16...(6) HA PHE 40 + H SER 78 OK 27 85 - 32 - 3.0/1582=9, 3.6/1450=6...(9) HA ASP 100 + H SER 78 OK 15 99 - 15 - 7689=5, 1662/4.6=3, 363/4.5=2 HA GLN 105 + H SER 78 OK 13 78 - 16 - 1662/4.6=3, 3.0/4770=2...(6) HB THR 116 - H SER 78 lone 8 93 - 9 - 1662/4.6=2, 3.0/367=2...(4) HA SER 35 - H SER 78 lone 5 85 - 6 - 363/4.5=1, 6657/6621=1 HA MET 11 - H SER 78 lone 4 98 - 4 - 1662/4.6=1 HB THR 17 - H SER 78 lone 3 60 - 6 - HA LEU 93 - H SER 78 lone 2 71 - 3 - Peak 1656 from nnoeabs.peaks (7.56, 8.07, 113.93 ppm; 4.72 A): 3 out of 4 assignments used, quality = 0.75: * H CYS 76 + H SER 78 OK 58 100 - 58 - 362/4.5=18, 3.6/1657=15...(8) H SER 113 + H SER 78 OK 32 92 - 34 - 1649=8, 362/4.5=5...(11) HE3 TRP 20 + H SER 78 OK 13 93 - 14 - 4.3/7360=5, 362/4.5=4 H CYS 52 - H SER 78 lone 9 99 - 9 - 362/4.5=3, 3.6/1657=2 Peak 1657 from nnoeabs.peaks (3.58, 8.07, 113.93 ppm; 4.20 A): 4 out of 6 assignments used, quality = 0.82: * HA GLU 75 + H SER 78 OK 63 100 - 63 - 6093=20, 3.6/1656=12...(10) HA2 GLY 39 + H SER 78 OK 29 85 - 34 - 6011=8, 3.6/1582=7...(10) HA LEU 111 + H SER 78 OK 18 78 - 23 - 6097/3.9=4, 6095/3.9=3...(6) HA2 GLY 48 + H SER 78 OK 14 100 - 14 - 1663/4.6=4, 6097/3.9=3...(4) HD2 PRO 70 - H SER 78 poor 8 68 - 12 - 1663/4.6=4, 6095/3.9=2...(4) HA LEU 51 - H SER 78 lone 7 71 - 9 - 3.6/1656=2 Peak 1658 from nnoeabs.peaks (3.95, 8.07, 113.93 ppm; 4.47 A): 5 out of 7 assignments used, quality = 0.85: * HA SER 74 + H SER 78 OK 67 100 - 67 - 6089/4.3=18, 6087/4.3=17...(11) HA THR 23 + H SER 78 OK 24 93 - 26 - 5484=6, 3.0/1438=4...(8) HA2 GLY 25 + H SER 78 OK 24 93 - 25 - 3.0/1481=7, 1.8/1148=4...(10) HA2 GLY 125 + H SER 78 OK 11 100 - 11 - 6088/4.3=3, 6090/4.3=3 HA3 GLY 125 + H SER 78 OK 11 100 - 11 - 6088/4.3=3, 6090/4.3=3 HA ALA 43 - H SER 78 poor 10 63 - 16 - 2.1/6817=5, 3.0/175=4 HA ARG 85 - H SER 78 poor 9 89 - 11 - 6157/4.6=3, 1652/4.5=2 Peak 1659 from nnoeabs.peaks (8.37, 8.07, 113.93 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.72: * H ILE 80 + H SER 78 OK 53 100 - 53 - 1666=19, 1482/4.6=18...(6) H VAL 115 + H SER 78 OK 22 99 - 23 - 6107/3.6=6, 1482/4.6=5...(5) H SER 74 + H SER 78 OK 22 63 - 35 - 2.9/1658=14, 6107/3.6=8...(6) H THR 95 - H SER 78 lone 5 71 - 7 - 1482/4.6=4 Peak 1661 from nnoeabs.peaks (8.51, 7.84, 119.43 ppm; 4.76 A): 6 out of 8 assignments used, quality = 0.87: * H LEU 77 + H ASN 79 OK 45 100 - 45 - 3.6/6100=19, 4.5/1481=17...(7) H LEU 84 + H ASN 79 OK 41 93 - 44 - 404=9, 3.6/4190=8...(14) H PHE 40 + H ASN 79 OK 26 81 - 33 - 1582/4.6=6, 3.6/1663=6...(8) H GLU 28 + H ASN 79 OK 24 97 - 25 - 99/3.0=3, 4.6/6540=3...(8) H GLU 38 + H ASN 79 OK 22 97 - 23 - 4.6/1154=5, 366/4.6=4...(9) H LYS 31 + H ASN 79 OK 12 95 - 13 - 4.6/1153=3, 366/4.6=2 H SER 13 - H ASN 79 lone 6 98 - 6 - H GLY 2 - H ASN 79 lone 2 78 - 3 - Peak 1662 from nnoeabs.peaks (4.36, 7.84, 119.43 ppm; 3.77 A): 3 out of 9 assignments used, quality = 0.58: * HA CYS 76 + H ASN 79 OK 46 100 - 46 - 6100=17, 6105/4.7=6...(9) HA GLN 105 + H ASN 79 OK 12 78 - 16 - 2.9/373=3, 3.0/8674=3...(6) HA ASP 100 + H ASN 79 OK 12 99 - 12 - 6104/3.9=2, 7689/4.6=2...(5) HA PHE 40 - H ASN 79 poor 10 85 - 11 - 1655/4.6=3, 3.0/1661=3 HB THR 116 - H ASN 79 lone 8 93 - 9 - 1668/4.7=2, 2.1/7371=2 HA MET 11 - H ASN 79 lone 4 98 - 4 - HA SER 35 - H ASN 79 lone 3 85 - 4 - HA LEU 93 - H ASN 79 lone 2 71 - 3 - HB THR 17 - H ASN 79 lone 2 60 - 3 - Peak 1663 from nnoeabs.peaks (3.58, 7.84, 119.43 ppm; 4.21 A): 5 out of 6 assignments used, quality = 0.85: * HA GLU 75 + H ASN 79 OK 52 100 - 53 - 6098=12, 6095/4.5=10...(11) HA2 GLY 48 + H ASN 79 OK 30 100 - 30 - 6893/3.9=9, 6882/3.9=8...(7) HD2 PRO 70 + H ASN 79 OK 27 68 - 39 - 7275/5.6=5, 7373/3.9=5...(16) HA2 GLY 39 + H ASN 79 OK 27 85 - 31 - 2.9/1154=6, 6011/4.6=5...(11) HA LEU 111 + H ASN 79 OK 14 78 - 18 - 6224/4.7=4, 6097/4.5=3...(5) HA LEU 51 - H ASN 79 lone 6 71 - 8 - 6056/5.6=1, ~6119=1, 1657/4.6=1 Peak 1664 from nnoeabs.peaks (9.06, 7.84, 119.43 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.78: * H ARG 81 + H ASN 79 OK 78 100 - 78 - 1483/4.7=30, 8658/3.6=24...(14) Peak 1665 from nnoeabs.peaks (4.17, 8.37, 119.47 ppm; 4.95 A): 7 out of 12 assignments used, quality = 0.92: * HA SER 78 + H ILE 80 OK 59 100 - 59 - 3.6/1482=25, 8658/4.7=21...(6) HA PHE 83 + H ILE 80 OK 55 83 - 66 - 3.0/377=14, ~1682=11...(14) HB2 SER 113 + H ILE 80 OK 24 92 - 26 - 4.7/1517=8, 4.0/1762=6...(8) HA GLU 56 + H ILE 80 OK 16 100 - 16 - 7437/4.7=5, 8302/1676=3...(5) HA GLU 28 + H ILE 80 OK 15 97 - 15 - 7437/4.7=2, ~6131=2...(5) HA ILE 124 + H ILE 80 OK 13 65 - 20 - 8658/4.7=3, 7413/4.9=3...(7) HB3 SER 72 + H ILE 80 OK 12 60 - 20 - 1.8/7282=8, 7281=4...(4) HA PRO 37 - H ILE 80 lone 7 71 - 9 - 7413/4.9=1, 6675/6107=1 HA PRO 68 - H ILE 80 lone 6 85 - 7 - 3.6/380=1 HA ASN 108 - H ILE 80 lone 5 71 - 7 - 7410/4.0=1, 7413/4.9=1 HA ARG 92 - H ILE 80 lone 4 87 - 5 - 7437/4.7=2 HA3 GLY 61 - H ILE 80 lone 1 68 - 2 - Peak 1666 from nnoeabs.peaks (8.07, 8.37, 119.47 ppm; 4.92 A): 6 out of 6 assignments used, quality = 0.81: * H SER 78 + H ILE 80 OK 60 100 - 60 - 1659=26, 4.6/1482=20...(6) H GLN 42 + H ILE 80 OK 18 85 - 21 - 169/3.0=5, 3.6/1156=3...(6) H GLN 105 + H ILE 80 OK 13 92 - 14 - 373/4.7=3, 2.9/1668=2...(4) H LEU 24 + H ILE 80 OK 13 92 - 14 - 373/4.7=5, 8200/3.9=1 H GLY 39 + H ILE 80 OK 12 76 - 16 - 373/4.7=4, 6729/4.5=3...(4) H THR 33 + H ILE 80 OK 12 63 - 19 - 4.6/381=4, 373/4.7=2...(8) Peak 1667 from nnoeabs.peaks (3.84, 8.37, 119.47 ppm; 3.89 A): 5 out of 13 assignments used, quality = 0.87: * HA LEU 77 + H ILE 80 OK 53 100 - 53 - 6107=15, 6110/4.7=14...(9) HA THR 116 + H ILE 80 OK 41 99 - 42 - 3.0/587=10, 4.8/5098=7...(12) HA THR 19 + H ILE 80 OK 25 100 - 25 - 3.0/7407=4, 6109/3.9=4...(9) HA GLU 15 + H ILE 80 OK 22 96 - 23 - 3.6/1669=5, 6109/3.9=3...(8) HA LYS 119 + H ILE 80 OK 20 100 - 20 - 6109/3.9=3, 7408/4.0=3...(6) HA3 GLY 88 - H ILE 80 poor 8 73 - 10 - 3.6/1517=2, 4.3/7406=2...(4) HA2 GLY 88 - H ILE 80 lone 6 63 - 9 - 3.6/1517=2, 4.3/7406=2...(4) HA THR 33 - H ILE 80 lone 5 76 - 6 - 2.9/1666=2 HB THR 33 - H ILE 80 lone 4 73 - 5 - 4.0/1666=2 HA3 GLY 104 - H ILE 80 lone 4 87 - 4 - 3.6/1666=2 HB2 SER 35 - H ILE 80 lone 3 85 - 3 - HB3 SER 29 - H ILE 80 lone 2 71 - 3 - HB2 SER 29 - H ILE 80 lone 1 68 - 2 - Peak 1668 from nnoeabs.peaks (4.36, 8.37, 119.47 ppm; 6.20 A): 8 out of 9 assignments used, quality = 0.94: * HA CYS 76 + H ILE 80 OK 66 100 - 66 - 6105=25, 6100/4.7=24...(9) HB THR 116 + H ILE 80 OK 54 93 - 58 - 4.2/1779=14, 3.8/587=14...(13) HA GLN 105 + H ILE 80 OK 19 78 - 24 - 6104/4.5=6, 1662/4.7=5...(5) HA ASP 100 + H ILE 80 OK 19 99 - 19 - 1662/4.7=5, 6104/4.5=5...(5) HA PHE 40 + H ILE 80 OK 14 85 - 17 - 1662/4.7=4, ~6131=2...(5) HA LEU 93 + H ILE 80 OK 13 71 - 18 - ~7389=5, 3.6/1497=3, 594/1779=1 HA MET 11 + H ILE 80 OK 12 98 - 12 - 6104/4.5=2, 1662/4.7=2...(4) HB THR 17 + H ILE 80 OK 12 60 - 19 - 7976/5113=4, 3.0/7407=3...(6) HA SER 35 - H ILE 80 lone 7 85 - 8 - 6104/4.5=2, 1662/4.7=1 Peak 1669 from nnoeabs.peaks (8.45, 8.37, 119.47 ppm; 3.80 A): 4 out of 4 assignments used, quality = 0.78: * H GLU 82 + H ILE 80 OK 64 100 - 65 - 1676=20, 390/4.7=19...(11) H GLN 16 + H ILE 80 OK 19 100 - 19 - 6125/3.0=4, 3.6/1667=3...(8) H ILE 63 + H ILE 80 OK 14 98 - 14 - 1484/4.7=4, 6125/3.0=3 H LEU 51 + H ILE 80 OK 12 73 - 16 - 6125/3.0=4, 4.8/7405=3...(6) Peak 1670 from nnoeabs.peaks (4.55, 9.06, 117.40 ppm; 5.26 A): 3 out of 6 assignments used, quality = 0.96: * HA ASN 79 + H ARG 81 OK 75 100 - 75 - 3.5/1483=43, 3.0/1664=38...(6) HA GLU 82 + H ARG 81 OK 72 100 - 72 - 2.9/390=47, 3.6/1681=33...(7) HA ASN 99 + H ARG 81 OK 35 97 - 37 - 4.5/7659=19, 7677/7342=7...(8) HA THR 95 - H ARG 81 OK 15 100 - 15 - 4542/4.7=5, 1150/1664=3...(6) HA LEU 27 - H ARG 81 OK 12 97 - 12 - 7352/7342=2, 1171/4.6=2...(6) HB THR 121 - H ARG 81 lone 9 93 - 10 - ~8093=4 Peak 1673 from nnoeabs.peaks (3.84, 9.06, 117.40 ppm; 4.99 A): 5 out of 13 assignments used, quality = 0.93: * HA LEU 77 + H ARG 81 OK 73 100 - 73 - 6110=42, 4.0/7342=24...(10) HA THR 116 + H ARG 81 OK 33 99 - 34 - 1667/4.7=7, 6109/4.4=5...(8) HA LYS 119 + H ARG 81 OK 31 100 - 32 - 6109/4.4=5, 7408/4.4=5...(12) HA GLU 15 + H ARG 81 OK 29 96 - 31 - 5444/4.6=5, 3.6/1484=5...(9) HA THR 19 + H ARG 81 OK 22 100 - 22 - 6109/4.4=5, 7408/4.4=5...(6) HA3 GLY 88 - H ARG 81 poor 10 73 - 13 - 4.3/7659=5, 3.0/7430=3 HA2 GLY 88 - H ARG 81 poor 7 63 - 12 - 4.3/7659=5, 3.0/7430=3 HA THR 33 - H ARG 81 lone 4 76 - 6 - 7408/4.4=1, 4019/7342=1 HB THR 33 - H ARG 81 lone 3 73 - 4 - HB2 SER 35 - H ARG 81 lone 3 85 - 4 - HA3 GLY 104 - H ARG 81 lone 3 87 - 3 - HB3 SER 29 - H ARG 81 lone 3 71 - 4 - HB2 SER 29 - H ARG 81 lone 2 68 - 3 - Peak 1676 from nnoeabs.peaks (8.37, 8.45, 124.13 ppm; 4.60 A): 2 out of 4 assignments used, quality = 0.83: * H ILE 80 + H GLU 82 OK 79 100 - 79 - 1669=30, 4.7/390=28...(11) H VAL 115 + H GLU 82 OK 19 99 - 19 - 383/4.6=7, 4062/6125=2...(6) H THR 95 - H GLU 82 lone 7 71 - 9 - 3.0/1677=2, 1244/2.9=2...(4) H SER 74 - H GLU 82 lone 5 63 - 8 - 4.2/5746=2, 383/4.6=2, 349/4.3=2 Peak 1677 from nnoeabs.peaks (4.55, 8.45, 124.13 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 82 + H GLU 82 OK 100 100 - 100 - 2.9=100 * HA ASN 79 + H GLU 82 OK 58 100 - 58 - 6119=18, 3.5/1669=13...(13) HA LEU 27 - H GLU 82 OK 12 97 - 12 - 4.0/7457=2, 4.0/7457=2 HA ASN 99 - H GLU 82 OK 11 97 - 12 - 1670/4.6=2, 4.5/7655=2...(4) HA THR 95 - H GLU 82 lone 9 100 - 9 - 1683/4.6=1, 3.0/1676=1 HB THR 121 - H GLU 82 lone 3 93 - 3 - Peak 1678 from nnoeabs.peaks (4.17, 8.45, 124.13 ppm; 4.65 A): 4 out of 12 assignments used, quality = 0.86: HA PHE 83 + H GLU 82 OK 49 83 - 59 - 3.0/398=25, 3.6/1686=17...(11) * HA SER 78 + H GLU 82 OK 44 100 - 44 - 8658/4.6=19, 3.6/1485=12...(7) HA GLU 56 + H GLU 82 OK 41 100 - 41 - 8302=13, 6114/4.3=6...(12) HA GLU 28 + H GLU 82 OK 16 97 - 16 - 6114/4.3=3, 7437/4.6=2...(7) HA ILE 124 - H GLU 82 poor 9 65 - 14 - 8658/4.6=3, 5733/4.6=1...(5) HA3 GLY 61 - H GLU 82 poor 7 68 - 11 - 3.6/1469=8 HB2 SER 113 - H GLU 82 lone 7 92 - 7 - HA PRO 37 - H GLU 82 lone 7 71 - 9 - 1177/4.6=1 HA ARG 92 - H GLU 82 lone 5 87 - 6 - 6114/4.3=2, 7437/4.6=1 HA ASN 108 - H GLU 82 lone 3 71 - 4 - HA PRO 68 - H GLU 82 lone 3 85 - 3 - HB3 SER 72 - H GLU 82 lone 2 60 - 4 - Peak 1681 from nnoeabs.peaks (9.06, 7.84, 121.12 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.82: * H ARG 81 + H PHE 83 OK 82 100 - 82 - 390/4.6=33, 7430=21...(18) Peak 1682 from nnoeabs.peaks (3.64, 7.84, 121.12 ppm; 4.22 A): 4 out of 6 assignments used, quality = 0.89: * HA ILE 80 + H PHE 83 OK 78 100 - 78 - 3.6/1681=22, 6126=20...(16) HA LEU 41 + H PHE 83 OK 34 99 - 34 - 6128/4.0=7, 6130/4.0=7...(7) HA VAL 115 + H PHE 83 OK 14 85 - 17 - 3.2/7465=2, 6130/4.0=2...(8) HA LYS 46 + H PHE 83 OK 10 100 - 10 - 6128/4.0=2, 6130/4.0=2 HD2 PRO 70 - H PHE 83 poor 9 71 - 13 - 3792/4.3=2, 3792/4.3=2 HA LEU 111 - H PHE 83 poor 8 60 - 13 - 4.3/7466=2, 1688/4.6=1 Peak 1683 from nnoeabs.peaks (4.55, 7.84, 121.12 ppm; 4.33 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 82 + H PHE 83 OK 100 100 - 100 - 3.6=100 * HA ASN 79 + H PHE 83 OK 67 100 - 67 - 6119/4.6=14, 6124=14...(15) HA ASN 99 - H PHE 83 OK 23 97 - 23 - 4.5/8662=4, 3.0/7470=3...(8) HA LEU 27 - H PHE 83 OK 21 97 - 22 - 3.6/1486=5, 4.0/7465=3...(6) HA THR 95 - H PHE 83 OK 19 100 - 19 - 3.2/8380=5, 1685/4.6=4...(4) HB THR 121 - H PHE 83 lone 4 93 - 4 - Peak 1684 from nnoeabs.peaks (8.75, 7.84, 121.12 ppm; 5.17 A): 3 out of 3 assignments used, quality = 0.86: * H ARG 85 + H PHE 83 OK 75 100 - 75 - 6140/3.6=24, 1691=20...(11) H THR 23 + H PHE 83 OK 33 100 - 33 - 1487/4.6=9, 6140/3.6=6...(11) H GLU 15 + H PHE 83 OK 19 76 - 25 - 6140/3.6=7, 1430/4.6=5...(6) Peak 1685 from nnoeabs.peaks (4.54, 8.49, 120.20 ppm; 5.31 A): 4 out of 6 assignments used, quality = 0.93: * HA GLU 82 + H LEU 84 OK 68 100 - 68 - 3.6/1486=23, 2.9/1686=23...(8) HA THR 95 + H LEU 84 OK 46 100 - 46 - 7623/4.6=19, ~7485=10...(7) HA ASN 79 + H LEU 84 OK 43 100 - 43 - 4.9/1688=11, 6124/4.6=10...(8) HA LEU 27 + H LEU 84 OK 34 98 - 35 - 1692/4.7=6, 5499=4...(11) HA ASN 99 - H LEU 84 OK 25 96 - 26 - 6179=4, 4.5/7655=4...(7) HB THR 121 - H LEU 84 lone 6 90 - 6 - Peak 1686 from nnoeabs.peaks (8.45, 8.49, 120.20 ppm; 4.16 A): 3 out of 4 assignments used, quality = 0.67: * H GLU 82 + H LEU 84 OK 51 100 - 51 - 3.6/6133=14, 398/4.6=14...(11) H ILE 63 + H LEU 84 OK 25 98 - 25 - 398/4.6=6, 3.6/1687=4...(7) H GLN 16 + H LEU 84 OK 11 100 - 11 - 4.6/1487=3, 398/4.6=2, 28/4.7=2 H LEU 51 - H LEU 84 poor 10 73 - 13 - 4.8/1188=3, 1003/4.6=2...(5) Peak 1687 from nnoeabs.peaks (3.99, 8.49, 120.20 ppm; 4.17 A): 5 out of 5 assignments used, quality = 0.92: * HA ARG 81 + H LEU 84 OK 79 100 - 79 - 6133=27, 6136/4.0=14...(16) HA THR 62 + H LEU 84 OK 27 100 - 27 - 3.6/1686=7, 6137/4.0=4...(9) HA PHE 107 + H LEU 84 OK 21 93 - 23 - 7810/4.6=6, 6137/4.0=3...(7) HA LEU 117 + H LEU 84 OK 19 100 - 19 - 6137/4.0=3, 6135/4.0=3...(6) HA ALA 14 + H LEU 84 OK 14 60 - 24 - 3.6/1487=4, 2.1/6314=4...(9) Peak 1688 from nnoeabs.peaks (3.64, 8.49, 120.20 ppm; 5.06 A): 4 out of 6 assignments used, quality = 0.89: * HA ILE 80 + H LEU 84 OK 71 100 - 71 - 6131=16, 1682/4.6=15...(15) HA LEU 41 + H LEU 84 OK 49 99 - 50 - 3.0/1689=13, 6128/4.5=10...(9) HA LYS 46 + H LEU 84 OK 16 100 - 16 - 6128/4.5=2, 6130/4.5=2...(5) HA LEU 111 + H LEU 84 OK 13 60 - 22 - 7916/4.6=5, 4.3/1189=4...(9) HA VAL 115 - H LEU 84 poor 10 85 - 12 - 1682/4.6=3, 6130/4.5=2 HD2 PRO 70 - H LEU 84 lone 6 71 - 8 - 1682/4.6=2 Peak 1689 from nnoeabs.peaks (8.56, 8.49, 120.20 ppm; 3.91 A): 3 out of 6 assignments used, quality = 0.71: * H GLY 86 + H LEU 84 OK 49 100 - 49 - 1696=16, 418/4.7=13...(8) H LEU 41 + H LEU 84 OK 36 87 - 42 - 161=9, 6147/3.6=6...(12) H GLU 94 + H LEU 84 OK 12 83 - 14 - 4.6/410=2, 6149/2.9=2...(7) H VAL 18 - H LEU 84 poor 9 65 - 13 - 6149/2.9=2, 3.0/1184=2...(6) H ARG 53 - H LEU 84 lone 9 90 - 9 - 6149/2.9=2, 6147/3.6=1...(4) H ILE 34 - H LEU 84 lone 4 63 - 7 - 4.0/6620=2, 5.0/6628=1 Peak 1691 from nnoeabs.peaks (7.84, 8.75, 122.77 ppm; 5.05 A): 4 out of 5 assignments used, quality = 0.94: * H PHE 83 + H ARG 85 OK 76 100 - 76 - 1684=27, 3.6/6140=24...(11) H GLY 88 + H ARG 85 OK 55 93 - 59 - 6157/3.0=20, 1709/3.6=15...(7) H ASN 79 + H ARG 85 OK 31 99 - 31 - 404/4.7=6, 3.0/1692=5...(9) H GLY 25 + H ARG 85 OK 19 60 - 32 - 4.7/79=10, 6481=8...(11) HD21 ASN 99 - H ARG 85 lone 7 85 - 8 - 4.4/1692=3, 404/4.7=1 Peak 1692 from nnoeabs.peaks (4.54, 8.75, 122.77 ppm; 4.25 A): 5 out of 6 assignments used, quality = 0.82: * HA GLU 82 + H ARG 85 OK 64 100 - 64 - 6140=31, 3.6/1684=12...(8) HA LEU 27 + H ARG 85 OK 22 98 - 23 - 3.6/411=4, 1698/4.7=4...(9) HA ASN 79 + H ARG 85 OK 17 100 - 17 - 3.0/1691=4, 1685/4.7=3...(5) HA THR 95 + H ARG 85 OK 13 100 - 13 - 1685/4.7=3, 7623/416=3 HA ASN 99 + H ARG 85 OK 11 96 - 11 - 6179/4.7=2, 8745/7.2=2...(4) HB THR 121 - H ARG 85 lone 3 90 - 3 - Peak 1693 from nnoeabs.peaks (3.99, 8.75, 122.77 ppm; 4.68 A): 5 out of 5 assignments used, quality = 0.88: * HA ARG 81 + H ARG 85 OK 72 100 - 73 - 6138=30, 6136/4.3=17...(11) HA THR 62 + H ARG 85 OK 28 100 - 28 - 6137/4.3=4, 1687/4.7=4...(9) HA PHE 107 + H ARG 85 OK 16 93 - 17 - 6137/4.3=4, 6135/4.3=4...(5) HA LEU 117 + H ARG 85 OK 15 100 - 15 - 6137/4.3=4, 6135/4.3=4 HA ALA 14 + H ARG 85 OK 13 60 - 21 - 2.1/5443=4, 5442=3...(7) Peak 1694 from nnoeabs.peaks (8.30, 8.75, 122.77 ppm; 4.99 A): 2 out of 5 assignments used, quality = 0.93: * H CYS 87 + H ARG 85 OK 76 100 - 76 - 1701=25, 4.6/418=21...(20) H ILE 22 + H ARG 85 OK 69 100 - 69 - 1437=17, 3.0/5478=11...(16) H THR 62 - H ARG 85 OK 20 76 - 26 - 3.0/1693=7, 1489/4.7=5...(7) H TRP 20 - H ARG 85 OK 17 65 - 25 - 4.7/1562=7, 3.0/5985=6...(7) H GLY 125 - H ARG 85 lone 9 85 - 10 - 6156/3.0=2, 1489/4.7=2 Peak 1695 from nnoeabs.peaks (3.50, 8.56, 108.05 ppm; 4.75 A): 4 out of 5 assignments used, quality = 0.80: * HA LEU 84 + H GLY 86 OK 56 100 - 56 - 3.6/418=24, 2.9/1689=17...(9) HB2 PHE 83 + H GLY 86 OK 37 90 - 41 - 4.5/1689=12, 3.0/6147=12...(6) HA VAL 18 + H GLY 86 OK 20 81 - 25 - 5978/4.6=4, 7494/3.6=4...(8) HB3 SER 44 + H GLY 86 OK 11 100 - 11 - 7494/3.6=2, 1702/4.6=2 HB2 PHE 96 - H GLY 86 poor 9 92 - 10 - 412/4.7=3, 1702/4.6=3 Peak 1696 from nnoeabs.peaks (8.49, 8.56, 108.05 ppm; 4.21 A): 4 out of 9 assignments used, quality = 0.76: * H LEU 84 + H GLY 86 OK 56 100 - 56 - 1689=21, 4.7/418=15...(9) H PHE 40 + H GLY 86 OK 22 99 - 22 - 1449=4, 411/4.7=3...(9) H GLU 28 + H GLY 86 OK 21 100 - 21 - 3.6/1698=5, 411/4.7=3...(6) H GLU 38 + H GLY 86 OK 11 71 - 15 - 3.6/1697=4, 150/3.0=2...(6) H LEU 77 - H GLY 86 lone 8 93 - 8 - 1652/3.6=2, 411/4.7=1 H LYS 31 - H GLY 86 lone 8 100 - 7 - 411/4.7=2 H TYR 102 - H GLY 86 lone 6 89 - 7 - 411/4.7=1 H SER 13 - H GLY 86 lone 4 100 - 4 - H GLY 2 - H GLY 86 lone 2 99 - 2 - Peak 1697 from nnoeabs.peaks (4.15, 8.56, 108.05 ppm; 4.61 A): 7 out of 12 assignments used, quality = 0.83: * HA PHE 83 + H GLY 86 OK 55 100 - 56 - 6148/4.6=15, 3.6/1689=14...(9) HA PRO 37 + H GLY 86 OK 27 100 - 26 - 2669/3.0=5, 6002=4...(7) HA ILE 63 + H GLY 86 OK 16 97 - 16 - 4.2/7507=5, 7109/7506=3 HA ILE 124 + H GLY 86 OK 14 99 - 14 - 1703/4.6=3, 3.6/1489=2...(4) HA GLU 28 + H GLY 86 OK 12 97 - 12 - 3.0/1696=6, 1703/4.6=1 HB2 SER 113 + H GLY 86 OK 11 100 - 11 - 4.7/7516=4, 1703/4.6=2 HA ALA 98 + H GLY 86 OK 10 97 - 11 - 2.1/7505=2, ~6162=1...(4) HA GLU 56 - H GLY 86 lone 6 81 - 8 - 8299/4.6=2 HA SER 78 - H GLY 86 lone 6 83 - 7 - 3.6/1699=3 HB3 SER 78 - H GLY 86 lone 6 81 - 7 - 4.5/1699=3 HA ASN 108 - H GLY 86 lone 3 100 - 3 - HB3 SER 72 - H GLY 86 lone 2 98 - 2 - Peak 1698 from nnoeabs.peaks (4.54, 8.56, 108.05 ppm; 4.79 A): 4 out of 6 assignments used, quality = 0.78: * HA GLU 82 + H GLY 86 OK 59 100 - 59 - 6145=30, 6140/4.7=17...(7) HA LEU 27 + H GLY 86 OK 27 98 - 28 - 3.6/1696=5, 1692/4.7=5...(9) HA ASN 79 + H GLY 86 OK 14 100 - 14 - 3.0/1699=4, 1692/4.7=4...(5) HA THR 95 + H GLY 86 OK 11 100 - 11 - 1692/4.7=3, 3.0/465=2...(5) HA ASN 99 - H GLY 86 lone 9 96 - 9 - 1692/4.7=2, 4.5/7505=1 HB THR 121 - H GLY 86 lone 4 90 - 4 - Peak 1699 from nnoeabs.peaks (7.86, 8.56, 108.05 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.90: * H GLY 88 + H GLY 86 OK 74 100 - 74 - 429/4.6=20, 1707=19...(11) H PHE 83 + H GLY 86 OK 55 93 - 59 - 3.6/6145=18, 1684/4.7=11...(8) H ASN 79 + H GLY 86 OK 18 78 - 23 - 6157/3.6=4, 3.0/1698=4...(9) H ASP 36 - H GLY 86 lone 6 87 - 6 - 4.8/1199=2, ~6663=1 Peak 1700 from nnoeabs.peaks (3.93, 8.30, 120.51 ppm; 4.95 A): 4 out of 13 assignments used, quality = 0.91: * HA ARG 85 + H CYS 87 OK 70 100 - 70 - 3.6/426=22, 6156=19...(11) HA THR 23 + H CYS 87 OK 42 100 - 42 - 3.0/1701=15, 3.2/6450=9...(10) HB THR 62 + H CYS 87 OK 40 89 - 46 - 2.1/7526=24, 419/4.6=7...(7) HA ALA 43 + H CYS 87 OK 12 97 - 13 - 1708/4.7=3, 3.6/1704=3...(4) HA2 GLY 125 - H CYS 87 poor 9 81 - 11 - 3.6/644=2, 1708/4.7=2, ~4336=2 HA3 GLY 125 - H CYS 87 poor 9 81 - 11 - 3.6/644=2, 1708/4.7=2, ~4336=2 HA2 GLY 25 - H CYS 87 lone 9 100 - 9 - 856/1701=1 HA SER 74 - H CYS 87 lone 6 89 - 7 - 1708/4.7=1 HD3 PRO 68 - H CYS 87 lone 6 89 - 7 - HD2 PRO 68 - H CYS 87 lone 6 85 - 7 - HA ILE 34 - H CYS 87 lone 3 63 - 5 - 419/4.6=1 HA3 GLY 2 - H CYS 87 lone 1 63 - 2 - HA2 GLY 2 - H CYS 87 lone 1 63 - 2 - Peak 1701 from nnoeabs.peaks (8.75, 8.30, 120.51 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.90: * H ARG 85 + H CYS 87 OK 72 100 - 73 - 418/4.6=20, 1694=18...(20) H THR 23 + H CYS 87 OK 62 100 - 62 - 72=13, 4.1/2154=10...(17) H GLU 15 - H CYS 87 poor 8 76 - 11 - 418/4.6=2, 3.7/7524=1 Peak 1702 from nnoeabs.peaks (3.50, 8.30, 120.51 ppm; 4.17 A): 5 out of 5 assignments used, quality = 0.93: * HA LEU 84 + H CYS 87 OK 79 100 - 79 - 6153/3.6=24, 6150=20...(16) HB2 PHE 83 + H CYS 87 OK 41 90 - 45 - 3.0/6148=18, 4.0/1490=8...(8) HA VAL 18 + H CYS 87 OK 22 81 - 27 - 5978=6, 1695/4.6=3...(10) HB2 PHE 96 + H CYS 87 OK 16 92 - 17 - 6154/3.6=3, 6152/3.6=3...(6) HB3 SER 44 + H CYS 87 OK 12 100 - 11 - 4.0/1704=2, 1695/4.6=2...(5) Peak 1703 from nnoeabs.peaks (4.15, 8.30, 120.51 ppm; 4.77 A): 6 out of 12 assignments used, quality = 0.88: * HA PHE 83 + H CYS 87 OK 62 100 - 62 - 6148=28, 3.0/1490=12...(11) HA ILE 124 + H CYS 87 OK 29 99 - 29 - 3.2/5937=5, 3.0/5936=4...(10) HA ILE 63 + H CYS 87 OK 25 97 - 26 - 4.2/7527=6, 3.0/288=5...(6) HA PRO 37 + H CYS 87 OK 17 100 - 17 - 2669/3.6=5, 1697/4.6=4 HB2 SER 113 + H CYS 87 OK 16 100 - 16 - 4.7/1712=5, 7934/7529=2...(4) HA GLU 28 + H CYS 87 OK 12 97 - 12 - 6563/2175=2, 1697/4.6=2 HA ALA 98 - H CYS 87 poor 10 97 - 10 - 7670/7529=2, 2.1/7524=2 HA GLU 56 - H CYS 87 poor 8 81 - 10 - 8299=3 HA SER 78 - H CYS 87 lone 7 83 - 8 - 3.6/1490=2 HB3 SER 78 - H CYS 87 lone 6 81 - 8 - 4.5/1490=2 HB3 SER 72 - H CYS 87 lone 4 98 - 4 - HA ASN 108 - H CYS 87 lone 4 100 - 4 - Peak 1704 from nnoeabs.peaks (7.96, 8.30, 120.51 ppm; 4.72 A): 6 out of 6 assignments used, quality = 0.92: * H ALA 89 + H CYS 87 OK 66 100 - 66 - 4.6/429=21, 1712=19...(11) H ARG 92 + H CYS 87 OK 40 100 - 41 - 6164/3.0=10, 4.6/7517=8...(9) H LEU 114 + H CYS 87 OK 34 92 - 37 - 1712=9, 6164/3.0=5...(10) HE ARG 85 + H CYS 87 OK 18 71 - 25 - 7.2/1701=6, 6.5/6156=6...(8) H SER 44 + H CYS 87 OK 15 98 - 15 - 4.0/1702=2, 1491/4.7=2...(5) H VAL 66 + H CYS 87 OK 13 100 - 12 - 6164/3.0=3, 1491/4.7=2...(4) Peak 1705 from nnoeabs.peaks (3.40, 7.86, 106.36 ppm; 5.16 A): 3 out of 4 assignments used, quality = 0.74: * HA2 GLY 86 + H GLY 88 OK 67 100 - 67 - 3.6/429=29, 1.8/1706=23...(6) HA LEU 21 + H GLY 88 OK 12 65 - 19 - 3.6/429=7, 427/4.7=5, 6162/4.8=2 HA VAL 50 + H GLY 88 OK 10 85 - 12 - 427/4.7=3, 6162/4.8=2...(4) HD2 PRO 37 - H GLY 88 poor 9 76 - 12 - 6162/4.8=2, 3.8/2638=2...(5) Peak 1706 from nnoeabs.peaks (3.72, 7.86, 106.36 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.67: * HA3 GLY 86 + H GLY 88 OK 43 100 - 43 - 3.6/429=16, 1.8/1705=11...(6) HB3 SER 90 + H GLY 88 OK 42 96 - 44 - 3.8/1718=15, 7561/4.8=7...(10) HB2 TRP 20 - H GLY 88 lone 4 90 - 5 - 428/4.7=1 HA LEU 54 - H GLY 88 lone 2 68 - 3 - HA GLU 73 - H GLY 88 lone 2 78 - 2 - HA2 GLY 104 - H GLY 88 lone 1 99 - 1 - Peak 1707 from nnoeabs.peaks (8.56, 7.86, 106.36 ppm; 5.06 A): 5 out of 6 assignments used, quality = 0.91: * H GLY 86 + H GLY 88 OK 80 100 - 80 - 1699=24, 4.6/429=23...(11) H GLU 94 + H GLY 88 OK 24 83 - 29 - 4.6/7549=10, 1242/4.2=4...(6) H LEU 41 + H GLY 88 OK 20 87 - 23 - 1586/3.6=4, 426/4.7=4...(8) H ARG 53 + H GLY 88 OK 19 90 - 21 - 233/4.2=5, 426/4.7=4...(4) H VAL 18 + H GLY 88 OK 11 65 - 16 - 3.0/1709=4, 4.0/7552=3...(4) H ILE 34 - H GLY 88 lone 4 63 - 7 - 4.0/6622=2 Peak 1708 from nnoeabs.peaks (3.93, 7.86, 106.36 ppm; 3.89 A): 0 out of 13 assignments used, low quality = 0.45: ! HA ARG 85 - H GLY 88 OK 45 100 - 45 - 6157=20, 3.6/1699=10...(6) HB THR 62 - H GLY 88 poor 9 89 - 10 - 1700/4.7=3, 3.9/429=2...(4) HA THR 23 - H GLY 88 lone 9 100 - 9 - 1700/4.7=3, 3.2/7551=2 HA ALA 43 - H GLY 88 lone 8 97 - 9 - 2.1/7551=2, 3.6/1491=2...(4) HA2 GLY 125 - H GLY 88 lone 6 81 - 7 - 3.0/429=3, 3.6/1710=2 HA3 GLY 125 - H GLY 88 lone 6 81 - 7 - 3.0/429=3, 3.6/1710=2 HA SER 74 - H GLY 88 lone 3 89 - 4 - HD3 PRO 68 - H GLY 88 lone 3 89 - 3 - HD2 PRO 68 - H GLY 88 lone 3 85 - 3 - HA2 GLY 25 - H GLY 88 lone 2 100 - 2 - HA ILE 34 - H GLY 88 lone 2 63 - 3 - 3.2/6622=1 HA3 GLY 2 - H GLY 88 lone 1 63 - 1 - HA2 GLY 2 - H GLY 88 lone 1 63 - 1 - Peak 1709 from nnoeabs.peaks (3.50, 7.86, 106.36 ppm; 4.61 A): 5 out of 5 assignments used, quality = 0.90: * HA LEU 84 + H GLY 88 OK 75 100 - 75 - 6153/4.2=25, 6151/4.2=18...(12) HB2 PHE 83 + H GLY 88 OK 39 90 - 44 - 4197=9, 2.5/7549=7...(10) HA VAL 18 + H GLY 88 OK 16 81 - 19 - 5978/4.7=4, 3.2/7552=3...(5) HB2 PHE 96 + H GLY 88 OK 15 92 - 17 - 6154/4.2=3, 6152/4.2=3...(5) HB3 SER 44 + H GLY 88 OK 11 100 - 11 - 4.0/1491=2, 1702/4.7=2...(5) Peak 1710 from nnoeabs.peaks (7.72, 7.86, 106.36 ppm; 4.51 A): 5 out of 7 assignments used, quality = 0.93: * H SER 90 + H GLY 88 OK 81 100 - 81 - 1718=43, 4.5/433=18...(13) H LEU 91 + H GLY 88 OK 45 73 - 62 - 4.6/1718=20, 4.4/1706=13...(12) H LEU 126 + H GLY 88 OK 17 100 - 17 - 4.6/429=2, 6165/3.6=2...(6) H LEU 58 + H GLY 88 OK 13 100 - 13 - 7069/3.6=4, 5784/4.8=2...(4) H ASN 118 + H GLY 88 OK 11 93 - 12 - 6165/3.6=2, 7519/4.2=2...(5) H LEU 111 - H GLY 88 lone 7 76 - 9 - 6165/3.6=2, 5.3/7554=2 HE21 GLN 103 - H GLY 88 lone 3 95 - 3 - Peak 1711 from nnoeabs.peaks (3.76, 7.96, 121.48 ppm; 3.82 A): 3 out of 22 assignments used, quality = 0.80: * HA CYS 87 + H ALA 89 OK 61 100 - 61 - 3.6/433=17, 6166/3.6=11...(11) HB3 SER 90 + H ALA 89 OK 37 73 - 50 - 3.8/436=13, 7577/2.9=8...(12) HA CYS 87 + H LEU 114 OK 21 90 - 23 - 6164=4, 3.6/433=4...(5) HB3 SER 90 - H LEU 114 poor 9 60 - 16 - 3.8/436=4, 4.4/1494=3...(4) HA LEU 54 - H LEU 114 poor 9 85 - 11 - 3183/4.4=2, 6073/4.0=2...(5) HA GLU 38 - H LEU 114 lone 8 90 - 9 - HD2 PRO 30 - H LEU 114 lone 7 86 - 9 - 6608/3.6=2, 3.8/577=1 HA GLU 38 - H ALA 89 lone 7 100 - 7 - 6707/2.9=1, 430/4.6=1 HD2 PRO 30 - H ALA 89 lone 6 98 - 7 - 1719/4.5=1 HA GLU 73 - H LEU 114 lone 5 80 - 6 - 6079/4.6=2, 3.6/1517=1 HB3 SER 35 - H ALA 89 lone 4 100 - 4 - HB3 SER 13 - H ALA 89 lone 4 99 - 4 - HA LEU 54 - H ALA 89 lone 4 97 - 4 - HA GLU 73 - H ALA 89 lone 3 93 - 4 - HB3 SER 74 - H LEU 114 lone 3 60 - 5 - 7295/4.6=1, 4.0/1517=1 HB2 SER 74 - H LEU 114 lone 3 58 - 5 - 7295/4.6=1, 4.0/1517=1 HB3 SER 13 - H LEU 114 lone 3 88 - 3 - HB2 SER 72 - H LEU 114 lone 3 71 - 4 - 7282/4.6=1 HB3 SER 35 - H LEU 114 lone 2 90 - 2 - HB3 SER 74 - H ALA 89 lone 2 73 - 2 - HB2 SER 74 - H ALA 89 lone 2 71 - 2 - HB2 SER 72 - H ALA 89 lone 1 85 - 2 - Peak 1712 from nnoeabs.peaks (8.30, 7.96, 121.48 ppm; 4.81 A): 5 out of 10 assignments used, quality = 0.86: * H CYS 87 + H ALA 89 OK 67 100 - 67 - 429/4.6=21, 1704=18...(12) H CYS 87 + H LEU 114 OK 34 90 - 38 - 1704=9, 3.0/6164=5...(9) H ILE 22 + H ALA 89 OK 17 100 - 17 - 429/4.6=5, 1565/3.6=1...(6) H ILE 22 + H LEU 114 OK 12 90 - 13 - 69/4.0=2, 853/4.4=2...(4) H GLY 125 + H ALA 89 OK 10 85 - 12 - 429/4.6=3, 8458/2.9=1...(5) H THR 62 - H ALA 89 poor 8 76 - 10 - 429/4.6=2, 3.9/1715=2, 286/3.6=1 H GLY 125 - H LEU 114 poor 7 71 - 10 - 3.6/578=2, 4.5/1356=2, 638/4.7=1 H TRP 20 - H LEU 114 poor 6 53 - 11 - 4.6/1764=2, 836/4.6=2 H THR 62 - H LEU 114 lone 6 62 - 9 - 7094/4.4=3, 7098/4.0=1 H TRP 20 - H ALA 89 lone 5 65 - 7 - 4.0/1714=1 Peak 1714 from nnoeabs.peaks (3.72, 7.96, 121.48 ppm; 4.01 A): 4 out of 12 assignments used, quality = 0.86: HB3 SER 90 + H ALA 89 OK 58 96 - 60 - 1721/4.5=16, 7561/2.9=14...(12) * HA3 GLY 86 + H ALA 89 OK 53 100 - 53 - 8661=12, 7561/2.9=11...(9) HA3 GLY 86 + H LEU 114 OK 16 90 - 18 - 8661=4, 3.6/1712=4...(5) HB3 SER 90 + H LEU 114 OK 15 82 - 18 - 3.8/436=4, 4.4/1494=4...(7) HB2 TRP 20 - H ALA 89 lone 6 90 - 7 - 7561/2.9=1, 1706/4.6=1 HA LEU 54 - H LEU 114 lone 5 56 - 9 - 3183/4.4=2, ~7941=2...(4) HB2 TRP 20 - H LEU 114 lone 5 76 - 7 - 6548/4.0=2 HA GLU 73 - H LEU 114 lone 4 65 - 6 - 6079/4.6=2, 3.6/1517=1 HA GLU 73 - H ALA 89 lone 3 78 - 4 - HA LEU 54 - H ALA 89 lone 3 68 - 4 - HA2 GLY 104 - H ALA 89 lone 2 99 - 2 - HA2 GLY 104 - H LEU 114 lone 1 88 - 2 - Peak 1715 from nnoeabs.peaks (3.93, 7.96, 121.48 ppm; 4.74 A): 7 out of 26 assignments used, quality = 0.75: * HA ARG 85 + H ALA 89 OK 34 100 - 34 - 6157/4.6=14, 6158=10...(6) HA ARG 85 + H LEU 114 OK 21 90 - 24 - 6158=7, 3.6/7516=3...(7) HD3 PRO 68 + H LEU 114 OK 16 75 - 22 - 2.3/5077=4, ~6239=4...(7) HD2 PRO 68 + H LEU 114 OK 15 71 - 22 - 2.3/5077=4, ~6239=4...(7) HA ALA 43 + H ALA 89 OK 12 97 - 13 - 3.0/1452=3, 5572=3...(4) HA ALA 43 + H LEU 114 OK 12 84 - 15 - 2.1/5573=3, 5572=2...(5) HB THR 62 + H ALA 89 OK 12 89 - 13 - ~7564=6, 1708/4.6=3, 3.9/1712=1 HA SER 74 - H LEU 114 poor 10 75 - 13 - 1646/4.6=4, 2.9/1517=2...(5) HB THR 62 - H LEU 114 poor 8 75 - 11 - 7104/4.4=3, ~7941=2 HA THR 23 - H ALA 89 lone 7 100 - 7 - 1708/4.6=3 HD3 PRO 68 - H ALA 89 lone 6 89 - 7 - 4.8/315=2 HA2 GLY 125 - H ALA 89 lone 6 81 - 7 - 3.0/1712=2, 1708/4.6=2 HA3 GLY 125 - H ALA 89 lone 6 81 - 7 - 3.0/1712=2, 1708/4.6=2 HD2 PRO 68 - H ALA 89 lone 6 85 - 7 - 4.8/315=2 HA THR 23 - H LEU 114 lone 5 90 - 6 - HA SER 74 - H ALA 89 lone 4 89 - 5 - HA2 GLY 25 - H ALA 89 lone 3 100 - 3 - HA3 GLY 125 - H LEU 114 lone 3 67 - 4 - 3.0/1712=1 HA2 GLY 125 - H LEU 114 lone 3 67 - 4 - 3.0/1712=1 HA2 GLY 25 - H LEU 114 lone 2 90 - 3 - HA ILE 34 - H ALA 89 lone 1 63 - 2 - HA ILE 34 - H LEU 114 lone 1 51 - 2 - HA3 GLY 2 - H ALA 89 lone 1 63 - 1 - HA2 GLY 2 - H ALA 89 lone 1 63 - 1 - HA3 GLY 2 - H LEU 114 lone 1 51 - 1 - HA2 GLY 2 - H LEU 114 lone 1 51 - 1 - Peak 1716 from nnoeabs.peaks (3.81, 7.72, 110.55 ppm; 3.49 A): 3 out of 11 assignments used, quality = 0.96: HB2 SER 90 + H SER 90 OK 83 96 - 87 - 3.8=77, 1.8/4368=20...(9) * HA2 GLY 88 + H SER 90 OK 50 100 - 50 - 3.0/1718=17, 3.6/436=12...(11) HA3 GLY 88 + H SER 90 OK 49 100 - 50 - 3.0/1718=17, 3.6/436=12...(11) HA THR 116 - H SER 90 lone 6 83 - 7 - 3.6/1520=2, 4.8/6243=1 HB2 SER 29 - H SER 90 lone 5 100 - 5 - HB3 SER 29 - H SER 90 lone 5 100 - 5 - HA LYS 119 - H SER 90 lone 5 76 - 7 - 3.0/603=2, 3.6/1794=2 HA2 GLY 61 - H SER 90 lone 4 89 - 4 - HA3 GLY 39 - H SER 90 lone 2 100 - 2 - HA LEU 77 - H SER 90 lone 1 63 - 2 - HB2 SER 74 - H SER 90 lone 1 60 - 2 - Peak 1717 from nnoeabs.peaks (3.81, 7.72, 110.55 ppm; 3.49 A): 3 out of 11 assignments used, quality = 0.94: HB2 SER 90 + H SER 90 OK 78 90 - 87 - 3.8=77, 1.8/4368=20...(9) HA2 GLY 88 + H SER 90 OK 49 100 - 50 - 3.0/1718=17, 3.6/436=12...(11) * HA3 GLY 88 + H SER 90 OK 49 100 - 49 - 3.0/1718=17, 3.6/436=12...(11) HA THR 116 - H SER 90 lone 7 90 - 7 - 3.6/1520=2, 4.8/6243=1 HA LYS 119 - H SER 90 lone 6 85 - 7 - 3.0/603=2, 3.6/1794=2 HB2 SER 29 - H SER 90 lone 5 100 - 5 - HB3 SER 29 - H SER 90 lone 5 100 - 5 - HA2 GLY 61 - H SER 90 lone 3 81 - 4 - HA3 GLY 39 - H SER 90 lone 2 99 - 2 - HA LEU 77 - H SER 90 lone 2 73 - 2 - HA THR 19 - H SER 90 lone 1 60 - 2 - Peak 1718 from nnoeabs.peaks (7.86, 7.72, 110.55 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.73: * H GLY 88 + H SER 90 OK 73 100 - 73 - 1710=21, 433/4.5=17...(14) H PHE 83 - H SER 90 lone 6 93 - 7 - 433/4.5=2, 5778/6165=1 H ASP 36 - H SER 90 lone 3 87 - 4 - 4.8/1720=1 H ASN 79 - H SER 90 lone 3 78 - 3 - Peak 1719 from nnoeabs.peaks (3.76, 7.72, 110.55 ppm; 3.26 A): 2 out of 11 assignments used, quality = 0.74: HB3 SER 90 + H SER 90 OK 55 73 - 75 - 3.8=63, 1.8/4364=17...(7) * HA CYS 87 + H SER 90 OK 42 100 - 42 - 3.6/1718=13, 6165=10...(8) HD2 PRO 30 - H SER 90 lone 6 98 - 6 - HA GLU 38 - H SER 90 lone 6 100 - 6 - HA LEU 54 - H SER 90 lone 4 97 - 4 - HB3 SER 35 - H SER 90 lone 4 100 - 4 - HB3 SER 13 - H SER 90 lone 3 99 - 3 - HA GLU 73 - H SER 90 lone 3 93 - 3 - HB3 SER 74 - H SER 90 lone 1 73 - 2 - HB2 SER 74 - H SER 90 lone 1 71 - 2 - HB2 SER 72 - H SER 90 lone 1 85 - 1 - Peak 1720 from nnoeabs.peaks (3.40, 7.72, 110.55 ppm; 5.76 A): 2 out of 4 assignments used, quality = 0.59: * HA2 GLY 86 + H SER 90 OK 53 100 - 53 - 6162/3.6=22, 1.8/1721=12...(6) HA VAL 50 + H SER 90 OK 12 85 - 14 - 6162/3.6=3, 7112/7567=2...(4) HA LEU 21 - H SER 90 poor 7 65 - 10 - 6162/3.6=2, 1705/1718=2 HD2 PRO 37 - H SER 90 lone 6 76 - 8 - 6162/3.6=3, 4.8/1718=1 Peak 1721 from nnoeabs.peaks (3.72, 7.72, 110.55 ppm; 3.27 A): 2 out of 6 assignments used, quality = 0.81: HB3 SER 90 + H SER 90 OK 74 96 - 78 - 3.8=64, 1.8/4364=17...(7) * HA3 GLY 86 + H SER 90 OK 28 100 - 28 - 1.8/1720=7, 7561/3.6=6...(8) HB2 TRP 20 - H SER 90 lone 3 90 - 3 - HA LEU 54 - H SER 90 lone 3 68 - 4 - HA GLU 73 - H SER 90 lone 3 78 - 3 - HA2 GLY 104 - H SER 90 lone 2 99 - 2 - Peak 1723 from nnoeabs.peaks (6.97, 8.79, 113.48 ppm; 4.63 A): 4 out of 4 assignments used, quality = 0.93: * H LEU 101 + H ASN 99 OK 71 100 - 71 - 1728=34, 4.6/1502=21...(13) HD22 ASN 108 + H ASN 99 OK 46 100 - 46 - 6178/3.0=9, 3.5/1264=9...(11) QE PHE 107 + H ASN 99 OK 39 89 - 44 - 6178/3.0=9, 2.2/1266=8...(12) HD22 ASN 12 + H ASN 99 OK 27 95 - 28 - 3.5/8419=13, 6178/3.0=5...(7) Peak 1724 from nnoeabs.peaks (4.13, 8.22, 121.30 ppm; 4.83 A): 5 out of 24 assignments used, quality = 0.85: * HA ALA 98 + H ASP 100 OK 55 100 - 55 - 3.6/1502=29, 3.0/1725=13...(11) HA ASN 108 + H ASP 100 OK 40 99 - 40 - 3.0/492=7, ~7693=6...(9) HA ALA 98 + H MET 11 OK 22 94 - 23 - 3.6/1502=11, 3.0/1725=5...(4) HA PRO 37 + H ASP 100 OK 17 99 - 17 - 5998/3.8=6, 1729/4.6=3...(6) HA ARG 57 + H ASP 100 OK 15 76 - 19 - ~7695=3, ~7696=3...(8) HA PHE 83 - H ASP 100 poor 10 97 - 10 - 487/4.6=2, 1729/4.6=2 HA ILE 124 - H ASP 100 lone 8 100 - 8 - 1729/4.6=2, 487/4.6=1 HA ASN 108 - H MET 11 lone 7 93 - 8 - 3.0/492=1, 5824/1502=1 HB2 SER 113 - H ASP 100 lone 7 90 - 7 - 1729/4.6=2, 7927/7685=2 HA ILE 63 - H ASP 100 lone 6 100 - 6 - 1729/4.6=1 HA GLU 28 - H ASP 100 lone 5 81 - 7 - 3.0/1726=2, 1729/4.6=1 HB3 SER 78 - H ASP 100 lone 4 97 - 5 - 487/4.6=1 HA ILE 124 - H MET 11 lone 4 94 - 4 - HA3 GLY 25 - H ASP 100 lone 4 76 - 5 - 3.6/7685=1 HA PRO 37 - H MET 11 lone 3 93 - 4 - HA PHE 83 - H MET 11 lone 3 89 - 4 - HA ARG 57 - H MET 11 lone 3 67 - 5 - HB2 SER 113 - H MET 11 lone 3 81 - 3 - HA ILE 63 - H MET 11 lone 2 94 - 2 - HB3 SER 72 - H ASP 100 lone 2 100 - 2 - HA GLU 28 - H MET 11 lone 2 72 - 3 - HA3 GLY 25 - H MET 11 lone 2 67 - 3 - 3.6/7685=1 HB3 SER 78 - H MET 11 lone 2 90 - 2 - HB3 SER 72 - H MET 11 lone 1 94 - 1 - Peak 1725 from nnoeabs.peaks (9.21, 8.22, 121.30 ppm; 4.54 A): 4 out of 4 assignments used, quality = 0.93: H ASP 97 + H ASP 100 OK 64 100 - 65 - 3.9/7649=20, 7653=20...(6) * H ALA 98 + H ASP 100 OK 64 100 - 64 - 1501/4.6=25, 4.6/7649=17...(8) H ASP 97 + H MET 11 OK 26 94 - 28 - 3.9/7651=9, 3.9/7649=8...(6) H ALA 98 + H MET 11 OK 26 94 - 27 - 4.6/1502=8, 4.6/7651=8...(6) Peak 1726 from nnoeabs.peaks (8.48, 8.22, 121.30 ppm; 5.07 A): 6 out of 16 assignments used, quality = 0.88: * H TYR 102 + H ASP 100 OK 65 100 - 65 - 1732=29, 4.6/495=22...(6) H PHE 40 + H ASP 100 OK 35 97 - 36 - 937/3.8=10, 936/2.9=9...(6) H TYR 102 + H MET 11 OK 25 94 - 26 - 1732=10, 4.6/495=8...(5) H LEU 84 + H ASP 100 OK 12 89 - 14 - 6179/3.6=4, 1504/4.6=3...(4) H SER 13 + H ASP 100 OK 12 78 - 15 - 4.7/8569=4, 4.6/1269=3...(5) H GLU 28 + H ASP 100 OK 11 83 - 14 - 6179/3.6=5, 1504/4.6=3 H PHE 40 - H MET 11 lone 7 90 - 8 - 4.0/4636=2 H GLN 16 - H ASP 100 poor 6 60 - 10 - 4.6/489=4, 28/4.6=2...(4) H LYS 31 - H ASP 100 lone 6 87 - 7 - 1504/4.6=3, 6179/3.6=1 H LEU 84 - H MET 11 lone 4 80 - 5 - H GLY 2 - H ASP 100 lone 3 98 - 3 - H GLU 28 - H MET 11 lone 3 74 - 4 - H GLN 16 - H MET 11 lone 2 52 - 4 - H LYS 31 - H MET 11 lone 2 78 - 2 - H SER 13 - H MET 11 lone 2 69 - 3 - H GLY 2 - H MET 11 lone 1 91 - 1 - Peak 1727 from nnoeabs.peaks (4.56, 6.97, 115.79 ppm; 4.81 A): 6 out of 8 assignments used, quality = 0.88: * HA ASN 99 + H LEU 101 OK 72 100 - 72 - 3.6/495=26, 3.0/1728=25...(9) HA THR 95 + H LEU 101 OK 22 99 - 22 - 7617/4703=6, 4545/4.7=3...(7) HA LEU 27 + H LEU 101 OK 21 81 - 26 - 1733/4.6=4, 3.0/1277=4...(11) HA ASN 79 + H LEU 101 OK 13 97 - 13 - 490/4.6=3, 1733/4.6=3...(5) HB THR 121 + H LEU 101 OK 11 100 - 11 - 8081/4.9=2, 1733/4.6=2 HA GLU 82 + H LEU 101 OK 10 96 - 11 - 1733/4.6=2, 1738/1730=2 HA GLU 69 - H LEU 101 poor 9 78 - 12 - 4.8/1272=4, 1733/4.6=2...(4) HA ASP 47 - H LEU 101 lone 4 76 - 5 - Peak 1728 from nnoeabs.peaks (8.79, 6.97, 115.79 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.74: * H ASN 99 + H LEU 101 OK 67 100 - 67 - 1502/4.6=23, 1723=19...(13) H GLU 15 + H LEU 101 OK 20 89 - 23 - 3.7/6316=7, 489/4.6=3...(8) Peak 1729 from nnoeabs.peaks (4.13, 6.97, 115.79 ppm; 4.45 A): 8 out of 12 assignments used, quality = 0.91: * HA ALA 98 + H LEU 101 OK 53 100 - 54 - 3.6/1728=20, 2.1/7566=10...(16) HA ASN 108 + H LEU 101 OK 43 99 - 43 - 3.6/549=7, 3.0/1321=6...(13) HA PRO 37 + H LEU 101 OK 23 99 - 23 - 5998/4.3=5, 5997/4.6=3...(7) HA ILE 124 + H LEU 101 OK 17 100 - 17 - 7717/4.7=4, 8112/4.0=2...(4) HA ARG 57 + H LEU 101 OK 16 76 - 21 - 3.0/6726=2, 4.5/498=2...(9) HB2 SER 113 + H LEU 101 OK 15 90 - 17 - 7934/7699=3, 7927/4703=3...(6) HA PHE 83 + H LEU 101 OK 15 97 - 15 - 3.6/1504=3, 7410/7393=2...(4) HA ILE 63 + H LEU 101 OK 12 100 - 11 - 3.6/7159=3 HA GLU 28 - H LEU 101 poor 9 81 - 11 - 3.0/1504=3, 7717/4.7=1, ~5832=1 HB3 SER 78 - H LEU 101 lone 6 97 - 6 - HA3 GLY 25 - H LEU 101 lone 3 76 - 4 - HB3 SER 72 - H LEU 101 lone 3 100 - 3 - Peak 1730 from nnoeabs.peaks (7.89, 6.97, 115.79 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.71: * H GLN 103 + H LEU 101 OK 67 100 - 67 - 1736=31, 1505/4.6=22...(8) H ASP 36 + H LEU 101 OK 13 90 - 14 - 1505/4.6=8, 8572/3.6=2...(5) Peak 1731 from nnoeabs.peaks (4.35, 8.48, 119.10 ppm; 6.20 A): 7 out of 8 assignments used, quality = 0.90: * HA ASP 100 + H TYR 102 OK 59 100 - 59 - 2.9/1732=27, 3.6/499=27...(6) HA PHE 40 + H TYR 102 OK 42 95 - 44 - 2740/4.5=9, 1737/4.6=8...(11) HA MET 11 + H TYR 102 OK 24 92 - 26 - 2.9/1732=10, 1737/4.6=7...(6) HA SER 35 + H TYR 102 OK 17 71 - 24 - 3.6/1505=13, 1737/4.6=3...(7) HB THR 17 + H TYR 102 OK 14 76 - 18 - ~7737=4, ~6341=3...(7) HB THR 116 + H TYR 102 OK 12 83 - 14 - 2.1/7736=4, 1737/4.6=2...(4) HA CYS 76 + H TYR 102 OK 10 99 - 10 - 496/4.6=3, 1737/4.6=2 HA GLN 105 - H TYR 102 poor 8 63 - 13 - 1737/4.6=6, 496/4.6=2 Peak 1732 from nnoeabs.peaks (8.22, 8.48, 119.10 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.71: * H ASP 100 + H TYR 102 OK 56 100 - 56 - 495/4.6=21, 3.6/6179=20...(6) H MET 11 + H TYR 102 OK 20 95 - 21 - 495/4.6=7, 1726=5...(5) H LEU 21 + H TYR 102 OK 18 87 - 21 - 3.8/505=5, 844/4.9=4...(5) H VAL 49 - H TYR 102 lone 1 63 - 2 - Peak 1733 from nnoeabs.peaks (4.56, 8.48, 119.10 ppm; 4.01 A): 6 out of 8 assignments used, quality = 0.90: * HA ASN 99 + H TYR 102 OK 75 100 - 75 - 6179=27, 6180/4.0=20...(10) HA LEU 27 + H TYR 102 OK 25 81 - 32 - 6539/4.5=4, 3.0/505=4...(15) HA ASN 79 + H TYR 102 OK 17 97 - 17 - 4.9/6131=3, 1738/4.6=2...(6) HA GLU 82 + H TYR 102 OK 14 96 - 15 - 1738/4.6=3, 4739/4.5=2...(6) HA THR 95 + H TYR 102 OK 14 99 - 14 - 1727/4.6=2, 4545/4.9=2...(7) HB THR 121 + H TYR 102 OK 11 100 - 11 - 4739/4.5=2, 6183/4.0=1...(6) HA GLU 69 - H TYR 102 poor 9 78 - 12 - 4.8/500=2, 4739/4.5=2...(4) HA ASP 47 - H TYR 102 lone 4 76 - 5 - Peak 1734 from nnoeabs.peaks (4.13, 8.48, 119.10 ppm; 5.72 A): 9 out of 12 assignments used, quality = 0.93: * HA ALA 98 + H TYR 102 OK 48 100 - 48 - 2.1/7655=12, 6177=9...(12) HA PRO 37 + H TYR 102 OK 43 99 - 43 - 3.6/1279=6, 5997=6...(12) HA ASN 108 + H TYR 102 OK 30 99 - 30 - 1729/4.6=7, 6177=6...(8) HA ILE 124 + H TYR 102 OK 22 100 - 22 - 7717/4.9=6, 8112/4.6=4...(6) HA PHE 83 + H TYR 102 OK 20 97 - 20 - 5757=2, 1729/4.6=2...(8) HB2 SER 113 + H TYR 102 OK 16 90 - 18 - 6214/4.0=4, 7931/4.9=3...(4) HA ARG 57 + H TYR 102 OK 16 76 - 21 - 7717/4.9=3, 1729/4.6=3...(7) HA ILE 63 + H TYR 102 OK 13 100 - 13 - 7122/4.5=3, 1729/4.6=2...(4) HA GLU 28 + H TYR 102 OK 11 81 - 13 - ~4686=2, 7717/4.9=2, 1729/4.6=1 HB3 SER 78 - H TYR 102 lone 9 97 - 9 - 7361/4.5=3, 1729/4.6=1 HA3 GLY 25 - H TYR 102 lone 5 76 - 7 - 3.6/1283=2, 7717/4.9=1 HB3 SER 72 - H TYR 102 lone 4 100 - 4 - Peak 1735 from nnoeabs.peaks (4.49, 7.89, 110.72 ppm; 4.68 A): 3 out of 8 assignments used, quality = 0.67: * HA LEU 101 + H GLN 103 OK 56 100 - 56 - 3.0/1730=25, 3.6/1505=25...(5) HA PRO 30 + H GLN 103 OK 13 97 - 14 - 8568/4.6=6, 500/4.6=4...(4) HA PRO 70 + H GLN 103 OK 13 99 - 13 - 500/4.6=3, 3.8/4724=3...(5) HA ARG 71 - H GLN 103 lone 9 99 - 9 - 8568/4.6=2, 500/4.6=2 HA LEU 91 - H GLN 103 lone 6 93 - 6 - 500/4.6=2, 8568/4.6=1 HB THR 23 - H GLN 103 lone 4 76 - 5 - 8568/4.6=1, 4.4/7765=1 HA PRO 60 - H GLN 103 lone 2 73 - 3 - HA SER 90 - H GLN 103 lone 2 63 - 3 - 3.0/7769=1 Peak 1736 from nnoeabs.peaks (6.97, 7.89, 110.72 ppm; 4.97 A): 4 out of 4 assignments used, quality = 0.83: * H LEU 101 + H GLN 103 OK 73 100 - 73 - 1730=42, 4.6/1505=23...(8) QE PHE 107 + H GLN 103 OK 17 89 - 19 - 499/4.6=6, 6178/6184=3...(6) HD22 ASN 12 + H GLN 103 OK 16 95 - 17 - 499/4.6=5, 3.5/509=4...(5) HD22 ASN 108 + H GLN 103 OK 12 100 - 12 - 499/4.6=3, 6178/6184=3 Peak 1737 from nnoeabs.peaks (4.35, 7.89, 110.72 ppm; 4.33 A): 4 out of 8 assignments used, quality = 0.63: * HA ASP 100 + H GLN 103 OK 29 100 - 29 - 3.6/1730=20, 1731/4.6=4...(4) HA PHE 40 + H GLN 103 OK 22 95 - 24 - 3.0/506=6, 2740/4.7=5...(8) HA MET 11 + H GLN 103 OK 20 92 - 22 - 1842/4.0=5, 4.0/1286=5...(6) HA GLN 105 + H GLN 103 OK 16 63 - 25 - 2.9/7765=14, ~7766=8...(4) HA SER 35 - H GLN 103 poor 8 71 - 11 - 5538=2, 3.0/7770=2...(5) HB THR 116 - H GLN 103 lone 6 83 - 7 - 2.1/7767=2, 3.0/7770=1 HA CYS 76 - H GLN 103 lone 5 99 - 5 - HB THR 17 - H GLN 103 lone 4 76 - 5 - 8470/2638=1, 1731/4.6=1 Peak 1738 from nnoeabs.peaks (4.56, 7.89, 110.72 ppm; 3.66 A): 4 out of 8 assignments used, quality = 0.78: * HA ASN 99 + H GLN 103 OK 62 100 - 62 - 6184=29, 6180/4.6=13...(10) HA GLU 82 + H GLN 103 OK 19 96 - 20 - 7775/5.0=4, 7774/5.0=3...(8) HA ASN 79 + H GLN 103 OK 16 97 - 16 - 4739/4.7=2, 6183/4.6=2...(8) HA LEU 27 + H GLN 103 OK 13 81 - 16 - 6539/4.7=3, 1733/4.6=2...(6) HA THR 95 - H GLN 103 lone 10 99 - 10 - 1733/4.6=1, 6183/4.6=1 HB THR 121 - H GLN 103 lone 8 100 - 8 - 4739/4.7=1, 1733/4.6=1 HA GLU 69 - H GLN 103 lone 5 78 - 7 - 4.8/1735=2, 4739/4.7=1 HA ASP 47 - H GLN 103 lone 2 76 - 3 - Peak 1739 from nnoeabs.peaks (7.48, 8.95, 121.79 ppm; 5.17 A): 2 out of 3 assignments used, quality = 0.87: * H LYS 109 + H PHE 107 OK 82 100 - 82 - 1742=42, 1511/4.6=28...(7) H GLY 104 + H PHE 107 OK 28 100 - 28 - 6192/3.0=9, 7808/4.5=6...(6) H ALA 43 - H PHE 107 lone 8 85 - 10 - 6192/3.0=3, 7808/4.5=2...(4) Peak 1740 from nnoeabs.peaks (6.79, 8.84, 116.35 ppm; 4.85 A): 4 out of 5 assignments used, quality = 0.87: * H VAL 110 + H ASN 108 OK 66 100 - 66 - 1745=29, 4.7/1511=25...(6) QE TYR 67 + H ASN 108 OK 47 100 - 47 - 6193/3.6=11, 2.2/543=10...(10) HD22 ASN 99 + H ASN 108 OK 20 65 - 30 - 3.5/540=6, 3.5/1319=6...(9) HE21 GLN 42 + H ASN 108 OK 12 71 - 17 - 6781/4.5=6, 1512/4.6=4...(4) HH2 TRP 20 - H ASN 108 lone 9 100 - 9 - 1512/4.6=3, 6193/3.6=2 Peak 1741 from nnoeabs.peaks (4.01, 7.48, 119.90 ppm; 4.14 A): 3 out of 6 assignments used, quality = 0.76: * HA PHE 107 + H LYS 109 OK 67 100 - 67 - 3.6/1511=24, 6192=21...(7) HA ALA 14 + H LYS 109 OK 20 92 - 22 - 3.0/544=6, 1898/4.6=5...(7) HA LEU 117 + H LYS 109 OK 11 85 - 13 - 1746/4.7=4, 3.0/1329=1...(5) HA ARG 81 - H LYS 109 poor 10 93 - 11 - 1746/4.7=3, 538/4.6=2...(4) HA THR 62 - H LYS 109 lone 5 96 - 5 - 1746/4.7=1 HA GLN 16 - H LYS 109 lone 4 68 - 6 - ~7837=1 Peak 1742 from nnoeabs.peaks (8.95, 7.48, 119.90 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.82: * H PHE 107 + H LYS 109 OK 80 100 - 80 - 1739=35, 4.6/1511=28...(7) H LEU 54 + H LYS 109 OK 14 96 - 15 - 537/4.6=7, 4820/6192=2...(4) Peak 1743 from nnoeabs.peaks (7.70, 7.48, 119.90 ppm; 4.37 A): 4 out of 6 assignments used, quality = 0.84: * H LEU 111 + H LYS 109 OK 63 100 - 63 - 4.3/8451=26, 1749=21...(6) HE21 GLN 103 + H LYS 109 OK 31 97 - 31 - 3.5/5847=8, 4.6/5845=5...(9) H LEU 58 + H LYS 109 OK 29 76 - 38 - 6204/3.0=7, 3.9/1325=7...(12) H THR 121 + H LYS 109 OK 13 97 - 13 - 1513/4.7=4, 6204/3.0=2...(5) H SER 90 - H LYS 109 lone 4 76 - 5 - H LEU 126 - H LYS 109 lone 2 71 - 3 - Peak 1744 from nnoeabs.peaks (4.14, 6.79, 121.06 ppm; 4.64 A): 5 out of 14 assignments used, quality = 0.95: * HA ASN 108 + H VAL 110 OK 61 100 - 61 - 3.6/550=26, 3.0/1745=20...(10) HB2 SER 113 + H VAL 110 OK 53 97 - 54 - 6214/3.0=19, 7934/4.0=14...(6) HB3 SER 78 + H VAL 110 OK 42 90 - 47 - 7362=12, 1.8/7364=11...(12) HA ALA 98 + H VAL 110 OK 38 99 - 39 - 6197=7, 6198/4.7=5...(13) HA SER 78 + H VAL 110 OK 30 71 - 43 - 3.0/7362=10, 3.0/7364=9...(9) HA PRO 37 - H VAL 110 OK 19 100 - 19 - 2670/3.6=3, 545/4.7=2...(7) HA ILE 124 - H VAL 110 OK 18 100 - 18 - 4.0/555=3, 4.0/7884=2...(7) HA PHE 83 - H VAL 110 OK 13 100 - 13 - 7881/4.0=3, 6213/3.0=2...(4) HA ILE 63 - H VAL 110 OK 12 100 - 12 - 1750/4.7=2, 7881/4.0=1 HA ARG 57 - H VAL 110 OK 11 60 - 19 - 3.6/1513=6, ~6212=2...(6) HA GLU 28 - H VAL 110 lone 7 92 - 8 - HB3 SER 72 - H VAL 110 lone 3 100 - 3 - HA GLU 56 - H VAL 110 lone 3 68 - 4 - HA3 GLY 25 - H VAL 110 lone 2 60 - 3 - Peak 1745 from nnoeabs.peaks (8.84, 6.79, 121.06 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.72: * H ASN 108 + H VAL 110 OK 65 100 - 65 - 1511/4.7=27, 1740=21...(6) H ALA 14 + H VAL 110 OK 21 100 - 21 - 3.0/1746=6, 544/4.7=6...(6) H VAL 50 - H VAL 110 lone 9 99 - 9 - 544/4.7=3, 5858/1746=1 Peak 1746 from nnoeabs.peaks (4.01, 6.79, 121.06 ppm; 3.88 A): 4 out of 6 assignments used, quality = 0.86: * HA PHE 107 + H VAL 110 OK 70 100 - 70 - 7811/4.0=24, 6193=21...(8) HA LEU 117 + H VAL 110 OK 28 85 - 33 - 3.0/7994=5, 3.8/8000=5...(11) HA ALA 14 + H VAL 110 OK 21 92 - 23 - 3.0/1745=4, 1751/4.7=3...(9) HA ARG 81 + H VAL 110 OK 18 93 - 20 - 7434/4.0=5, 7868/4.0=3...(6) HA THR 62 - H VAL 110 lone 9 96 - 10 - 7880/4.0=2, 6195/4.0=1...(4) HA GLN 16 - H VAL 110 lone 3 68 - 4 - Peak 1747 from nnoeabs.peaks (8.03, 6.79, 121.06 ppm; 4.61 A): 4 out of 4 assignments used, quality = 0.88: * H SER 112 + H VAL 110 OK 74 100 - 74 - 1754=26, 565/4.7=18...(10) H GLN 42 + H VAL 110 OK 28 85 - 33 - 6205/3.6=5, 1451/4.7=4...(13) H THR 19 + H VAL 110 OK 19 92 - 21 - 4.3/7884=4, 6205/3.6=4...(6) H THR 116 + H VAL 110 OK 19 92 - 20 - 1514/4.7=5, 6211/3.0=5...(5) Peak 1748 from nnoeabs.peaks (4.05, 7.70, 118.61 ppm; 5.06 A): 6 out of 7 assignments used, quality = 0.93: * HA LYS 109 + H LEU 111 OK 61 100 - 61 - 3.6/1513=23, 3.0/1749=21...(9) HA SER 112 + H LEU 111 OK 52 99 - 52 - 3.0/565=28, 3.6/1759=13...(9) HA TYR 102 + H LEU 111 OK 33 99 - 33 - 3.7/4735=10, 3.0/561=7...(7) HA LEU 55 + H LEU 111 OK 27 100 - 27 - 7011/3.8=3, 1755/4.6=3...(10) HD3 PRO 37 + H LEU 111 OK 14 98 - 14 - 3.6/1750=2, 7902/4.7=2...(5) HA GLN 16 + H LEU 111 OK 11 83 - 13 - 7902/4.7=3, 6204=2...(4) HA SER 44 - H LEU 111 poor 10 92 - 11 - 1345/4.6=2, ~6219=2, 6835/2.9=1 Peak 1749 from nnoeabs.peaks (7.48, 7.70, 118.61 ppm; 4.98 A): 3 out of 3 assignments used, quality = 0.83: * H LYS 109 + H LEU 111 OK 71 100 - 71 - 8451/4.3=32, 550/4.7=23...(6) H GLY 104 + H LEU 111 OK 24 100 - 24 - 7863/4.3=8, 550/4.7=7...(6) H ALA 43 + H LEU 111 OK 22 85 - 26 - 1598/2.9=7, 175/4.6=6...(5) Peak 1750 from nnoeabs.peaks (4.14, 7.70, 118.61 ppm; 4.46 A): 5 out of 14 assignments used, quality = 0.93: * HA ASN 108 + H LEU 111 OK 55 100 - 55 - 3.6/1749=15, 6198=13...(12) HB2 SER 113 + H LEU 111 OK 51 97 - 52 - 6214/3.5=16, 7934/4.3=13...(12) HA ALA 98 + H LEU 111 OK 44 99 - 44 - 6198=10, 6199/3.8=6...(12) HA ILE 63 + H LEU 111 OK 25 100 - 25 - 6200/3.8=3, 7903/4.7=3...(9) HB3 SER 78 + H LEU 111 OK 24 90 - 27 - 7362/4.7=6, 6097/2.9=5...(10) HA PRO 37 - H LEU 111 OK 21 100 - 21 - 6672/3.8=4, 7903/4.7=3...(8) HA ILE 124 - H LEU 111 OK 20 100 - 20 - 6200/3.8=3, 6202/3.8=2...(9) HA SER 78 - H LEU 111 OK 15 71 - 21 - 7367/4.7=3, 6213/3.5=3...(8) HA PHE 83 - H LEU 111 OK 15 100 - 15 - 7881/4.3=2, 6213/3.5=2...(5) HA ARG 57 - H LEU 111 OK 14 60 - 23 - 3.0/1752=5, ~6218=2...(9) HA GLU 28 - H LEU 111 OK 11 92 - 12 - 6563/4.7=3, 6200/3.8=1 HA GLU 56 - H LEU 111 poor 7 68 - 11 - 3.6/1752=4, 1756/4.6=1 HB3 SER 72 - H LEU 111 lone 4 100 - 4 - HA3 GLY 25 - H LEU 111 lone 1 60 - 2 - Peak 1751 from nnoeabs.peaks (4.01, 7.70, 118.61 ppm; 4.60 A): 5 out of 6 assignments used, quality = 0.94: * HA PHE 107 + H LEU 111 OK 75 100 - 75 - 7811/4.3=31, 6196=27...(11) HA ALA 14 + H LEU 111 OK 40 92 - 44 - 6296/3.8=11, 7902/4.7=11...(9) HA LEU 117 + H LEU 111 OK 32 85 - 37 - 1746/4.7=5, 7880/4.3=4...(15) HA ARG 81 + H LEU 111 OK 26 93 - 28 - 7434/4.3=7, 7868/4.3=5...(7) HA THR 62 + H LEU 111 OK 14 96 - 15 - 7880/4.3=2, 6195/4.4=2...(5) HA GLN 16 - H LEU 111 lone 7 68 - 10 - 7902/4.7=3, ~6220=1 Peak 1752 from nnoeabs.peaks (7.58, 7.70, 118.61 ppm; 4.27 A): 5 out of 6 assignments used, quality = 0.89: * H SER 113 + H LEU 111 OK 58 100 - 58 - 4.6/565=15, 1759=15...(11) H LYS 119 + H LEU 111 OK 46 87 - 53 - 1792=16, 3.6/6262=10...(11) H ARG 57 + H LEU 111 OK 24 92 - 27 - 6218/2.9=4, 1466=3...(9) H CYS 76 + H LEU 111 OK 22 92 - 23 - 1759=6, 6218/2.9=4...(7) H CYS 52 + H LEU 111 OK 18 99 - 18 - 7865/4.3=4, 6212/3.5=3...(6) HE3 TRP 20 - H LEU 111 lone 5 60 - 9 - 4.3/560=4, 6212/3.5=1 Peak 1753 from nnoeabs.peaks (2.98, 8.03, 112.26 ppm; 4.99 A): 4 out of 5 assignments used, quality = 0.83: * HA VAL 110 + H SER 112 OK 73 100 - 73 - 6211=28, 3.5/565=25...(10) HB3 TYR 102 + H SER 112 OK 18 92 - 19 - 561/4.6=5, 1760/4.6=3...(8) HE3 LYS 31 + H SER 112 OK 12 96 - 12 - 561/4.6=2, 1760/4.6=2...(4) HE2 LYS 31 + H SER 112 OK 12 96 - 12 - 561/4.6=2, 1760/4.6=2...(4) HB2 ASN 12 - H SER 112 lone 8 100 - 8 - 561/4.6=3, 1760/4.6=2 Peak 1754 from nnoeabs.peaks (6.79, 8.03, 112.26 ppm; 4.37 A): 4 out of 5 assignments used, quality = 0.84: * H VAL 110 + H SER 112 OK 69 100 - 69 - 1747=22, 4.7/565=16...(9) HE21 GLN 42 + H SER 112 OK 24 71 - 34 - 3.5/2851=6, 4.4/2827=5...(11) QE TYR 67 + H SER 112 OK 20 100 - 20 - 560/4.6=5, 7885/4.6=3...(5) HH2 TRP 20 + H SER 112 OK 15 100 - 15 - 560/4.6=4, 7897/3.6=2...(6) HD22 ASN 99 - H SER 112 lone 5 65 - 7 - Peak 1755 from nnoeabs.peaks (4.05, 8.03, 112.26 ppm; 3.12 A): 1 out of 7 assignments used, quality = 0.99: HA SER 112 + H SER 112 OK 99 99 - 100 - 3.0=100 ! HA LYS 109 - H SER 112 OK 28 100 - 28 - 6205=7, 3.6/1754=7...(6) HA LEU 55 - H SER 112 OK 13 100 - 13 - 1748/4.6=1, 6077/4.6=1 HA SER 44 - H SER 112 OK 11 92 - 12 - 2.9/1602=3, 4.6/6817=2, ~6225=1 HA TYR 102 - H SER 112 lone 7 99 - 7 - 3.0/1753=2, 1748/4.6=1 HD3 PRO 37 - H SER 112 lone 6 98 - 6 - 3.6/1756=1 HA GLN 16 - H SER 112 lone 4 83 - 5 - Peak 1756 from nnoeabs.peaks (4.14, 8.03, 112.26 ppm; 4.03 A): 8 out of 14 assignments used, quality = 0.83: HB2 SER 113 + H SER 112 OK 38 97 - 39 - 4.0/1515=15, 4.7/1764=9...(8) * HA ASN 108 + H SER 112 OK 28 100 - 28 - 6203=9, 6198/4.6=5...(6) HA ALA 98 + H SER 112 OK 24 99 - 25 - 6203=8, 6198/4.6=4...(5) HA ILE 63 + H SER 112 OK 15 100 - 15 - 3501/4.9=3, 6200/4.6=2...(6) HA PRO 37 + H SER 112 OK 15 100 - 15 - 6672/4.6=3, 6200/4.6=2...(5) HB3 SER 78 + H SER 112 OK 12 90 - 14 - 6097/3.6=3, 6200/4.6=1...(6) HA ILE 124 + H SER 112 OK 12 100 - 12 - 6200/4.6=2, 6202/4.6=1...(5) HA ARG 57 + H SER 112 OK 11 60 - 18 - 3.0/1515=4, 3.6/565=3...(5) HA PHE 83 - H SER 112 lone 8 100 - 8 - HA GLU 56 - H SER 112 poor 8 68 - 11 - 3.6/1515=4, ~251=1 HA GLU 28 - H SER 112 lone 7 92 - 7 - HA SER 78 - H SER 112 lone 6 71 - 9 - 1350/4.6=1, 6200/4.6=1 HB3 SER 72 - H SER 112 lone 3 100 - 3 - HA3 GLY 25 - H SER 112 lone 1 60 - 1 - Peak 1758 from nnoeabs.peaks (3.61, 7.58, 117.75 ppm; 3.93 A): 4 out of 16 assignments used, quality = 0.95: HA GLU 75 + H CYS 76 OK 66 66 - 100 - 3.6=100 * HA LEU 111 + H SER 113 OK 52 100 - 52 - 3.6/1515=16, 4.8/1761=10...(9) HA VAL 115 + H SER 113 OK 48 97 - 49 - 3.0/1769=9, 3.6/572=8...(10) HD2 PRO 70 + H CYS 76 OK 38 91 - 42 - 3.0/8318=10, 3.0/7321=6...(12) HA GLU 75 - H SER 113 OK 23 78 - 30 - 2.9/1478=7, 5719=4...(10) HA LEU 111 - H CYS 76 OK 20 92 - 22 - 3.6/1515=4, 6218=4...(5) HA2 GLY 39 - H CYS 76 OK 14 91 - 15 - 2.9/1649=3, ~6099=2...(6) HA VAL 115 - H CYS 76 OK 13 87 - 15 - 3.0/1769=4, ~6105=2...(5) HD2 PRO 70 - H SER 113 OK 12 100 - 12 - 3.0/8318=2, 1765/4.6=2...(4) HA2 GLY 39 - H SER 113 lone 8 100 - 8 - 6011/4.6=3 HA ILE 80 - H CYS 76 poor 7 50 - 15 - ~6105=5, 3.0/1762=3...(4) HA ILE 80 - H SER 113 poor 7 60 - 12 - 3.0/1762=5, 1765/4.6=1 HA LYS 46 - H SER 113 lone 5 57 - 9 - 1765/4.6=1 HA2 GLY 48 - H CYS 76 lone 3 59 - 6 - 3961/4.3=1, 3955/4.3=1 HA2 GLY 48 - H SER 113 lone 2 71 - 3 - HA LYS 46 - H CYS 76 lone 2 47 - 4 - Peak 1759 from nnoeabs.peaks (7.70, 7.58, 117.75 ppm; 4.59 A): 5 out of 12 assignments used, quality = 0.84: * H LEU 111 + H SER 113 OK 63 100 - 63 - 565/4.6=18, 1752=17...(12) H THR 121 + H SER 113 OK 25 97 - 26 - 1799=6, 565/4.6=5...(8) H LEU 111 + H CYS 76 OK 24 92 - 26 - 1752=6, 2.9/6218=4...(7) H LEU 58 + H SER 113 OK 16 76 - 21 - 263=3, 565/4.6=3...(6) H SER 90 + H SER 113 OK 12 76 - 16 - 436/4.6=3, 4.5/576=3...(5) HE21 GLN 103 - H SER 113 lone 8 97 - 8 - 565/4.6=1 H LEU 58 - H CYS 76 lone 5 64 - 7 - 4.2/360=2 H LEU 126 - H SER 113 lone 4 71 - 5 - H SER 90 - H CYS 76 lone 4 64 - 5 - H LEU 126 - H CYS 76 lone 3 59 - 5 - 3.6/1646=1, 3.6/1646=1 H THR 121 - H CYS 76 lone 3 87 - 3 - HE21 GLN 103 - H CYS 76 lone 2 87 - 3 - Peak 1760 from nnoeabs.peaks (2.98, 7.58, 117.75 ppm; 4.15 A): 4 out of 10 assignments used, quality = 0.76: * HA VAL 110 + H SER 113 OK 61 100 - 61 - 6212=18, 6216/4.0=13...(8) HA VAL 110 + H CYS 76 OK 18 92 - 19 - 6212=5, 3.5/1759=3...(6) HB3 TYR 102 + H CYS 76 OK 15 80 - 18 - 7327/4.0=16 HB3 TYR 102 + H SER 113 OK 13 92 - 15 - 6214/4.0=3, 1753/4.6=2...(6) HE3 LYS 31 - H SER 113 poor 10 96 - 10 - 6214/4.0=2, 6216/4.0=2...(4) HE2 LYS 31 - H SER 113 poor 10 96 - 10 - 6214/4.0=2, 6216/4.0=2...(4) HB2 ASN 12 - H SER 113 lone 8 100 - 8 - 6214/4.0=2, 6216/4.0=2...(4) HB2 ASN 12 - H CYS 76 lone 6 92 - 6 - 7327/4.0=2 HE2 LYS 31 - H CYS 76 lone 5 84 - 5 - 7327/4.0=1 HE3 LYS 31 - H CYS 76 lone 5 84 - 5 - 7327/4.0=1 Peak 1761 from nnoeabs.peaks (4.05, 7.58, 117.75 ppm; 3.53 A): 1 out of 14 assignments used, quality = 0.97: HA SER 112 + H SER 113 OK 97 99 - 98 - 3.6=96, 3.0/1515=15...(8) ! HA LYS 109 - H SER 113 OK 21 100 - 21 - 6210=6, 6205/4.6=5...(4) HA LEU 55 - H SER 113 OK 15 100 - 15 - 6077=2, 3.0/1632=2...(4) HA SER 112 - H CYS 76 OK 15 90 - 16 - 3.0/1515=4, 5886=3...(6) HD3 PRO 37 - H CYS 76 OK 11 88 - 12 - 5542/4.6=3, 2658/4.3=1...(7) HA SER 44 - H SER 113 lone 7 92 - 7 - 2.9/1516=1, 1345/4.6=1 HA TYR 102 - H SER 113 lone 7 99 - 7 - 3.0/1760=2 HA GLN 16 - H SER 113 lone 6 83 - 7 - 6210=1, 3.6/1516=1 HD3 PRO 37 - H SER 113 lone 6 98 - 6 - HA LYS 109 - H CYS 76 lone 4 92 - 4 - 6210=1 HA TYR 102 - H CYS 76 lone 4 90 - 4 - 3.0/1760=2 HA LEU 55 - H CYS 76 lone 3 91 - 4 - HA GLN 16 - H CYS 76 lone 3 71 - 4 - HA SER 44 - H CYS 76 lone 3 80 - 4 - ~1604=1 Peak 1762 from nnoeabs.peaks (8.37, 7.58, 117.75 ppm; 4.23 A): 6 out of 6 assignments used, quality = 0.94: * H VAL 115 + H SER 113 OK 71 100 - 71 - 6226/3.6=17, 1769=14...(14) H ILE 80 + H SER 113 OK 36 99 - 37 - 6226/3.6=8, 1517/4.6=6...(12) H SER 74 + H CYS 76 OK 31 66 - 47 - 4.7/1478=14, 3.6/6079=14...(8) H VAL 115 + H CYS 76 OK 28 92 - 30 - 1769=6, 6105/2.9=5...(9) H ILE 80 + H CYS 76 OK 26 90 - 29 - 6105/2.9=11, 4.5/575=3...(7) H SER 74 + H SER 113 OK 18 78 - 23 - 4.7/1478=5, 2.9/1646=5...(8) Peak 1763 from nnoeabs.peaks (4.06, 7.97, 121.40 ppm; 4.71 A): 8 out of 18 assignments used, quality = 0.91: * HA SER 112 + H LEU 114 OK 66 100 - 66 - 6225=22, 3.0/1764=17...(10) HA LEU 55 + H LEU 114 OK 33 100 - 33 - 7007/4.4=5, 1770/4.6=5...(10) HA SER 112 + H ALA 89 OK 20 90 - 22 - 6225=6, 3.0/1764=4...(6) HA LYS 109 + H LEU 114 OK 18 99 - 18 - 6210/4.6=7, 6205/1764=2 HA SER 44 + H LEU 114 OK 15 98 - 16 - 1770/4.6=4, 4.6/7559=2...(4) HA GLN 16 + H LEU 114 OK 13 68 - 19 - 3.0/1354=3, 3.0/1354=3...(9) HA TYR 102 + H LEU 114 OK 12 96 - 13 - 3.0/1766=3, 1770/4.6=2 HA LEU 55 + H ALA 89 OK 12 90 - 13 - 8639/4.5=3, 4.0/1357=1 HA VAL 120 - H LEU 114 poor 9 73 - 12 - ~6236=3, ~7941=3, 1770/4.6=1 HA SER 44 - H ALA 89 lone 7 86 - 9 - 2865=1, 3.0/2873=1...(4) HD3 PRO 37 - H LEU 114 lone 7 92 - 8 - HD3 PRO 37 - H ALA 89 lone 5 78 - 6 - ~6162=1 HA LYS 109 - H ALA 89 lone 5 88 - 6 - HA LYS 31 - H LEU 114 lone 5 73 - 6 - 6.4/1766=1, 6.4/1766=1 HA TYR 102 - H ALA 89 lone 4 82 - 5 - HA VAL 120 - H ALA 89 lone 4 60 - 7 - ~7564=3 HA GLN 16 - H ALA 89 lone 2 56 - 4 - HA LYS 31 - H ALA 89 lone 2 60 - 3 - Peak 1764 from nnoeabs.peaks (8.03, 7.97, 121.40 ppm; 2.98 A): 2 out of 8 assignments used, quality = 0.51: * H SER 112 + H LEU 114 OK 33 100 - 33 - 1515/4.6=6, 3.0/6225=6...(9) H THR 116 + H LEU 114 OK 28 92 - 30 - 1775/3.6=6, 4.6/1517=6...(8) H SER 112 - H ALA 89 lone 7 90 - 8 - 3.0/6225=2, 3.6/6219=2 H THR 19 - H LEU 114 lone 6 92 - 6 - 1518/4.6=1, 6235/3.0=1 H GLN 42 - H LEU 114 lone 5 85 - 6 - H THR 116 - H ALA 89 lone 5 78 - 6 - 4.6/580=1 H GLN 42 - H ALA 89 lone 3 71 - 5 - H THR 19 - H ALA 89 lone 2 78 - 2 - Peak 1765 from nnoeabs.peaks (3.61, 7.97, 121.40 ppm; 3.89 A): 8 out of 16 assignments used, quality = 0.94: * HA LEU 111 + H LEU 114 OK 63 100 - 63 - 6219=18, 3.6/1764=12...(15) HA VAL 115 + H LEU 114 OK 50 97 - 52 - 3.0/1517=17, 3.6/1764=10...(13) HD2 PRO 70 + H LEU 114 OK 21 100 - 21 - 6221/4.0=3, 6223/4.0=3...(9) HA GLU 75 + H LEU 114 OK 19 78 - 25 - 3.6/576=4, 6094/3.0=4...(9) HA LEU 111 + H ALA 89 OK 17 90 - 19 - 6219=5, 3.6/1764=3...(4) HA ILE 80 + H LEU 114 OK 16 60 - 27 - 3.0/1517=8, ~5892=4...(7) HA LYS 46 + H LEU 114 OK 15 57 - 26 - ~7953=3, 7945/4.4=3...(10) HA VAL 115 + H ALA 89 OK 13 85 - 15 - 3.0/1517=4, 3.6/1764=2...(4) HA ILE 80 - H ALA 89 poor 7 48 - 15 - 3.0/1517=3, ~7406=1...(6) HA2 GLY 39 - H LEU 114 lone 7 100 - 7 - HA2 GLY 39 - H ALA 89 lone 6 90 - 6 - 2731/3.6=2, 2731/3.6=2 HA GLU 75 - H ALA 89 lone 4 65 - 6 - HD2 PRO 70 - H ALA 89 lone 3 89 - 4 - HA LYS 46 - H ALA 89 lone 3 46 - 5 - HA2 GLY 48 - H LEU 114 lone 2 71 - 3 - HA2 GLY 48 - H ALA 89 lone 1 58 - 2 - Peak 1766 from nnoeabs.peaks (2.98, 7.97, 121.40 ppm; 5.29 A): 6 out of 10 assignments used, quality = 0.89: * HA VAL 110 + H LEU 114 OK 76 100 - 76 - 6217=27, 3.2/7866=21...(9) HA VAL 110 + H ALA 89 OK 20 90 - 22 - 6217=7, 3.2/7557=4...(7) HB3 TYR 102 + H LEU 114 OK 17 92 - 18 - 6214/4.7=4, 6216/4.7=3...(6) HE3 LYS 31 + H LEU 114 OK 12 96 - 12 - 6214/4.7=3, 6216/4.7=3 HE2 LYS 31 + H LEU 114 OK 12 96 - 12 - 6214/4.7=3, 6216/4.7=3 HB2 ASN 12 + H LEU 114 OK 11 100 - 11 - 6214/4.7=2, 6216/4.7=2...(5) HB3 TYR 102 - H ALA 89 lone 4 78 - 5 - HE2 LYS 31 - H ALA 89 lone 3 82 - 3 - HE3 LYS 31 - H ALA 89 lone 3 82 - 3 - HB2 ASN 12 - H ALA 89 lone 3 90 - 3 - Peak 1768 from nnoeabs.peaks (4.44, 8.37, 121.97 ppm; 5.55 A): 3 out of 6 assignments used, quality = 0.84: * HA SER 113 + H VAL 115 OK 76 100 - 76 - 3.6/1517=24, 4.9/6226=21...(12) HA SER 29 + H VAL 115 OK 24 100 - 25 - 1775/4.6=7, 6573/4.0=7...(6) HA LYS 32 + H VAL 115 OK 11 90 - 12 - 1775/4.6=5, 1781/1779=1 HA SER 90 - H VAL 115 poor 10 73 - 14 - 577/4.6=3, ~6243=3...(4) HA THR 121 - H VAL 115 lone 5 60 - 9 - 1775/4.6=2, 1781/1779=2 HA PRO 60 - H VAL 115 lone 3 63 - 5 - Peak 1769 from nnoeabs.peaks (7.58, 8.37, 121.97 ppm; 4.76 A): 5 out of 6 assignments used, quality = 0.94: * H SER 113 + H VAL 115 OK 79 100 - 80 - 3.6/6226=21, 1762=17...(14) H LYS 119 + H VAL 115 OK 39 87 - 45 - 6248/3.0=11, 7979/4.0=9...(11) H CYS 76 + H VAL 115 OK 33 92 - 36 - 2.9/6105=7, 1762=7...(15) H ARG 57 + H VAL 115 OK 23 92 - 25 - 6248/3.0=4, 7979/4.0=4...(9) H CYS 52 + H VAL 115 OK 13 99 - 13 - 576/4.6=2, 7979/4.0=2...(4) HE3 TRP 20 - H VAL 115 lone 5 60 - 8 - 7957/5896=2, 576/4.6=1 Peak 1770 from nnoeabs.peaks (4.06, 8.37, 121.97 ppm; 4.22 A): 7 out of 9 assignments used, quality = 0.95: * HA SER 112 + H VAL 115 OK 80 100 - 80 - 6226=30, 6227/4.0=21...(12) HA LEU 55 + H VAL 115 OK 36 100 - 36 - 7974/4.0=5, 7970/4.0=5...(10) HA SER 44 + H VAL 115 OK 28 98 - 29 - 7974/4.0=4, 6835/3.0=4...(11) HA LYS 109 + H VAL 115 OK 16 99 - 16 - 6205/4.6=3, 6205/7925=2...(7) HA TYR 102 + H VAL 115 OK 14 96 - 14 - 7746/3.0=2, 7412/4097=2...(6) HA VAL 120 + H VAL 115 OK 12 73 - 16 - 3.0/1772=5, 1776/4.6=2...(6) HA GLN 16 + H VAL 115 OK 11 68 - 16 - 3.6/587=4, 3.0/582=2...(7) HA LYS 31 - H VAL 115 lone 6 73 - 9 - 5.0/1361=2, 7970/4.0=2...(4) HD3 PRO 37 - H VAL 115 lone 5 92 - 6 - Peak 1771 from nnoeabs.peaks (3.61, 8.37, 121.97 ppm; 3.88 A): 2 out of 8 assignments used, quality = 0.99: HA VAL 115 + H VAL 115 OK 97 97 - 100 - 3.0=100 * HA LEU 111 + H VAL 115 OK 64 100 - 64 - 6224=15, 3.6/7925=11...(17) HA ILE 80 - H VAL 115 OK 37 60 - 61 - 4062=9, 3.0/4069=9...(19) HD2 PRO 70 - H VAL 115 OK 34 100 - 34 - ~6246=4, 7262/4.0=4...(14) HA LYS 46 - H VAL 115 OK 15 57 - 27 - 3.0/584=3, 3.9/7962=3...(13) HA GLU 75 - H VAL 115 OK 14 78 - 18 - 6094/3.6=4, 3.6/1769=3...(6) HA2 GLY 39 - H VAL 115 lone 9 100 - 9 - HA2 GLY 48 - H VAL 115 lone 7 71 - 9 - 3.0/8278=1, ~8423=1, 6883/4.0=1 Peak 1772 from nnoeabs.peaks (8.66, 8.37, 121.97 ppm; 4.98 A): 4 out of 5 assignments used, quality = 0.88: * H LEU 117 + H VAL 115 OK 71 100 - 71 - 1779=26, 6236/3.6=20...(12) H VAL 120 + H VAL 115 OK 33 97 - 34 - 1519/4.6=7, 6236/3.6=7...(9) H LEU 59 + H VAL 115 OK 27 99 - 27 - 6236/3.6=7, 1519/4.6=3...(8) H ASN 12 + H VAL 115 OK 12 98 - 12 - 6283/4.0=4, 1519/4.6=2 H ASN 106 - H VAL 115 lone 3 65 - 5 - Peak 1773 from nnoeabs.peaks (4.29, 8.02, 118.37 ppm; 3.99 A): 3 out of 14 assignments used, quality = 0.72: * HA LEU 114 + H THR 116 OK 51 100 - 51 - 6235=16, 3.6/587=14...(9) HB3 SER 113 + H THR 116 OK 36 100 - 36 - 3.0/1775=14, 4.7/1764=7...(6) HA LEU 114 + H THR 17 OK 12 72 - 16 - 6235=4, 3.6/587=3...(6) HA LYS 65 - H THR 116 lone 8 100 - 8 - 1780/4.6=2, 581/4.6=2 HB2 SER 78 - H THR 116 lone 7 100 - 7 - 1780/4.6=2, 581/4.6=2 HA ALA 122 - H THR 116 lone 5 73 - 7 - ~1805=2, 1780/4.6=1, ~6273=1 HA GLN 103 - H THR 116 lone 4 83 - 5 - HB3 SER 113 - H THR 17 lone 2 71 - 3 - 3.0/1775=1 HA GLU 94 - H THR 116 lone 2 73 - 3 - HA GLN 103 - H THR 17 lone 2 53 - 3 - 7772/3.6=1 HA LYS 65 - H THR 17 lone 1 71 - 1 - HB2 SER 78 - H THR 17 lone 1 71 - 1 - HA GLU 94 - H THR 17 lone 0 46 - 1 - HA ALA 122 - H THR 17 lone 0 46 - 1 - Peak 1775 from nnoeabs.peaks (4.44, 8.02, 118.37 ppm; 3.97 A): 3 out of 12 assignments used, quality = 0.70: * HA SER 113 + H THR 116 OK 55 100 - 56 - 6233/3.8=13, 3.6/1764=9...(11) HA SER 29 + H THR 116 OK 22 100 - 22 - 6233/3.8=4, 6573/4.3=4...(6) HA LYS 32 + H THR 116 OK 15 90 - 17 - 6233/3.8=5, 1781/4.6=3...(6) HA THR 121 - H THR 116 poor 7 60 - 12 - 1781/4.6=3, ~1798=3...(4) HA SER 90 - H THR 116 lone 6 73 - 8 - 1781/4.6=2, 6233/3.8=1 HA SER 113 - H THR 17 lone 5 72 - 6 - ~6343=2, 6231=1 HA SER 29 - H THR 17 lone 3 71 - 5 - HA PRO 60 - H THR 116 lone 2 63 - 4 - 1781/4.6=2 HA LYS 32 - H THR 17 lone 1 59 - 2 - HA SER 90 - H THR 17 lone 1 46 - 1 - HA PRO 60 - H THR 17 lone 0 38 - 1 - HA THR 121 - H THR 17 lone 0 36 - 1 - Peak 1776 from nnoeabs.peaks (4.06, 8.02, 118.37 ppm; 4.18 A): 4 out of 18 assignments used, quality = 0.90: * HA SER 112 + H THR 116 OK 66 100 - 66 - 6227/4.4=18, 6229=16...(14) HA GLN 16 + H THR 17 OK 42 42 - 100 - 3.6=100 HA VAL 120 + H THR 116 OK 30 73 - 42 - 3.0/1519=7, ~8061=5...(15) HA LEU 55 + H THR 116 OK 30 100 - 30 - 7974/4.3=5, 6999/4.6=5...(9) HA LYS 109 - H THR 116 OK 19 99 - 19 - 6205=5, 3.6/1747=3...(6) HA SER 44 - H THR 116 OK 18 98 - 18 - 7974/4.3=4, 6835/3.6=4...(5) HA GLN 16 - H THR 116 OK 15 68 - 21 - 3.0/1431=4, 5961=4...(11) HA TYR 102 - H THR 116 OK 11 96 - 12 - 7746/3.6=2, 1770/4.6=1...(4) HA SER 112 - H THR 17 poor 9 72 - 12 - 6229=2, 6341/4.0=2, 6227/5899=1 HD3 PRO 37 - H THR 17 poor 7 61 - 11 - 6341/4.0=3, 5953/4.0=1 HA TYR 102 - H THR 17 lone 6 65 - 10 - 7737/4.0=2, 4686/4.6=1 HA LYS 31 - H THR 116 lone 6 73 - 8 - 5.0/589=2, 7970/4.3=1...(4) HD3 PRO 37 - H THR 116 lone 6 92 - 6 - HA LEU 55 - H THR 17 lone 6 72 - 8 - 6341/4.0=1 HA LYS 109 - H THR 17 lone 5 70 - 8 - 7837/4.6=2 HA SER 44 - H THR 17 lone 4 68 - 6 - 6826/4.0=2 HA VAL 120 - H THR 17 lone 1 46 - 3 - HA LYS 31 - H THR 17 lone 1 46 - 2 - Peak 1778 from nnoeabs.peaks (3.62, 8.66, 122.46 ppm; 5.37 A): 5 out of 7 assignments used, quality = 0.94: * HA VAL 115 + H LEU 117 OK 68 100 - 68 - 3.6/592=26, 3.0/1779=21...(12) HA LEU 111 + H LEU 117 OK 47 97 - 49 - 3.6/592=8, 5880/4.6=8...(15) HA ILE 80 + H LEU 117 OK 38 85 - 45 - 3.0/1779=14, 3.2/595=7...(11) HD2 PRO 70 + H LEU 117 OK 29 99 - 29 - 1785/4.7=6, 7262/4.6=5...(8) HA LYS 46 + H LEU 117 OK 16 83 - 20 - 3.0/8596=2, 1785/4.7=2...(8) HA2 GLY 39 - H LEU 117 lone 8 95 - 8 - 1785/4.7=1, 6012/4.6=1 HA LEU 41 - H LEU 117 lone 5 68 - 8 - Peak 1779 from nnoeabs.peaks (8.37, 8.66, 122.46 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.85: * H VAL 115 + H LEU 117 OK 72 100 - 72 - 1772=24, 3.6/6236=22...(13) H ILE 80 + H LEU 117 OK 47 99 - 47 - 587/4.6=11, 1667/3.6=9...(11) H SER 74 - H LEU 117 lone 4 78 - 5 - Peak 1780 from nnoeabs.peaks (4.29, 8.66, 122.46 ppm; 3.93 A): 5 out of 7 assignments used, quality = 0.84: * HA LEU 114 + H LEU 117 OK 65 100 - 65 - 6236=24, 7941/4.6=10...(10) HB3 SER 113 + H LEU 117 OK 31 100 - 31 - 3.0/1781=7, 1773/4.6=5...(10) HA LYS 65 + H LEU 117 OK 16 100 - 16 - 6240/4.0=3, 6238/4.0=3...(6) HB2 SER 78 + H LEU 117 OK 13 100 - 13 - 6240/4.0=3, 6238/4.0=3...(6) HA ALA 122 + H LEU 117 OK 11 73 - 14 - 3.0/1804=6, 2.1/8094=3...(5) HA GLN 103 - H LEU 117 lone 5 83 - 6 - 1786/4.7=1 HA GLU 94 - H LEU 117 lone 3 73 - 4 - Peak 1781 from nnoeabs.peaks (4.44, 8.66, 122.46 ppm; 4.74 A): 6 out of 6 assignments used, quality = 0.83: * HA SER 113 + H LEU 117 OK 45 100 - 45 - 6233/4.2=17, 1775/4.6=13...(6) HA THR 121 + H LEU 117 OK 28 60 - 47 - 3.0/619=12, 3.2/8071=11...(9) HA SER 29 + H LEU 117 OK 24 100 - 24 - 1775/4.6=5, 6233/4.2=5...(7) HA LYS 32 + H LEU 117 OK 23 90 - 25 - 6233/4.2=6, 1775/4.6=4...(7) HA SER 90 + H LEU 117 OK 14 73 - 20 - 3.6/1520=5, 3.0/1520=4...(6) HA PRO 60 + H LEU 117 OK 14 63 - 22 - 3.6/7093=6, 4.8/3389=5...(7) Peak 1782 from nnoeabs.peaks (7.60, 8.66, 122.46 ppm; 4.90 A): 3 out of 6 assignments used, quality = 0.95: * H LYS 119 + H LEU 117 OK 81 100 - 81 - 1788/3.0=15, 1521/4.7=15...(23) H ARG 57 + H LEU 117 OK 54 100 - 54 - 7044=14, 3.6/8300=9...(13) H SER 113 + H LEU 117 OK 44 87 - 51 - 3.0/1781=10, 572/4.6=8...(12) H GLU 56 - H LEU 117 OK 32 71 - 46 - 2.9/8300=10, 3.6/6999=8...(14) HD21 ASN 12 - H LEU 117 poor 10 83 - 12 - 3.5/1880=2, 3.5/1874=2 H CYS 52 - H LEU 117 poor 8 71 - 11 - 1521/4.7=1, 7981/4.3=1 Peak 1783 from nnoeabs.peaks (3.83, 7.74, 118.75 ppm; 4.68 A): 4 out of 12 assignments used, quality = 0.80: * HA THR 116 + H ASN 118 OK 53 100 - 53 - 3.0/1784=17, 4.8/6243=16...(8) HA LYS 119 + H ASN 118 OK 41 100 - 41 - 3.0/1521=20, 3.6/1794=15...(4) HA THR 19 + H ASN 118 OK 18 95 - 19 - 3.0/1784=6, 6250/4.6=3 HA GLU 15 + H ASN 118 OK 13 83 - 16 - 4.1/1378=2, 8188/4.2=2...(7) HA3 GLY 88 - H ASN 118 poor 9 90 - 10 - 3.0/1710=2, 1.8/6170=1...(5) HA2 GLY 88 - H ASN 118 poor 8 83 - 10 - 3.0/1710=2, 1.8/6170=1...(5) HA LEU 77 - H ASN 118 lone 5 99 - 5 - 1382/4.6=1, 593/4.7=1 HB3 SER 29 - H ASN 118 lone 5 89 - 5 - 593/4.7=1 HB2 SER 29 - H ASN 118 lone 4 87 - 5 - HA3 GLY 39 - H ASN 118 lone 4 76 - 5 - 1.8/1785=2 HA3 GLY 104 - H ASN 118 lone 2 68 - 2 - HB2 SER 35 - H ASN 118 lone 2 65 - 2 - Peak 1784 from nnoeabs.peaks (8.02, 7.74, 118.75 ppm; 4.60 A): 3 out of 4 assignments used, quality = 0.72: * H THR 116 + H ASN 118 OK 52 100 - 52 - 3.6/6243=20, 592/4.7=17...(8) H SER 112 + H ASN 118 OK 27 92 - 30 - 3.6/1785=7, 592/4.7=5...(7) H THR 19 + H ASN 118 OK 20 100 - 20 - 592/4.7=5, 3.0/1783=4...(6) H THR 17 - H ASN 118 lone 5 73 - 7 - 592/4.7=2 Peak 1785 from nnoeabs.peaks (3.62, 7.74, 118.75 ppm; 4.01 A): 3 out of 7 assignments used, quality = 0.79: * HA VAL 115 + H ASN 118 OK 59 100 - 59 - 6243=25, 3.6/1784=11...(10) HA LEU 111 + H ASN 118 OK 31 97 - 32 - 3.6/1784=6, 6245/4.0=5...(9) HD2 PRO 70 + H ASN 118 OK 26 99 - 27 - 2.3/1378=5, 6247/4.0=5...(8) HA ILE 80 - H ASN 118 poor 9 85 - 11 - 1778/4.7=3, 1791/4.6=2...(4) HA LYS 46 - H ASN 118 lone 7 83 - 9 - 1791/4.6=2, 1778/4.7=1 HA2 GLY 39 - H ASN 118 lone 5 95 - 5 - HA LEU 41 - H ASN 118 lone 3 68 - 4 - Peak 1786 from nnoeabs.peaks (4.29, 7.74, 118.75 ppm; 4.50 A): 5 out of 7 assignments used, quality = 0.78: * HA LEU 114 + H ASN 118 OK 52 100 - 52 - 6241=15, 6236/4.7=14...(12) HB3 SER 113 + H ASN 118 OK 26 100 - 26 - 1780/4.7=5, 6240/4.2=4...(8) HA ALA 122 + H ASN 118 OK 15 73 - 21 - ~1806=7, 8095=7...(7) HA LYS 65 + H ASN 118 OK 14 100 - 14 - 6240/4.2=4, 6238/4.2=4 HB2 SER 78 + H ASN 118 OK 13 100 - 13 - 6240/4.2=3, 6238/4.2=3 HA GLN 103 - H ASN 118 lone 8 83 - 9 - 3.0/1378=1, 4722=1...(4) HA GLU 94 - H ASN 118 lone 3 73 - 4 - Peak 1787 from nnoeabs.peaks (8.65, 7.74, 118.75 ppm; 3.64 A): 3 out of 5 assignments used, quality = 0.93: H LEU 117 + H ASN 118 OK 73 97 - 75 - 4.7=48, 4.0/599=10...(14) * H VAL 120 + H ASN 118 OK 52 100 - 52 - 1794=17, 1795/3.6=10...(9) H LEU 59 + H ASN 118 OK 43 90 - 48 - 271=11, 7072/3.0=6...(17) H ASN 12 - H ASN 118 lone 7 85 - 8 - 1789/4.6=1 H ASN 106 - H ASN 118 lone 3 89 - 4 - Peak 1788 from nnoeabs.peaks (3.99, 7.60, 118.81 ppm; 5.03 A): 4 out of 4 assignments used, quality = 0.86: * HA LEU 117 + H LYS 119 OK 67 100 - 67 - 3.6/1521=20, 1795/4.6=15...(14) HA ARG 81 + H LYS 119 OK 32 100 - 32 - 1795/4.6=5, 6136/4.9=4...(14) HA THR 62 + H LYS 119 OK 28 99 - 28 - 3.2/8027=7, 1795/4.6=6...(7) HA PHE 107 + H LYS 119 OK 13 85 - 15 - 1795/4.6=3, 6196/1792=3...(5) Peak 1789 from nnoeabs.peaks (8.66, 7.60, 118.81 ppm; 3.28 A): 4 out of 5 assignments used, quality = 0.91: H VAL 120 + H LYS 119 OK 65 97 - 67 - 4.6=35, 4.7/5200=7...(16) * H LEU 117 + H LYS 119 OK 50 100 - 50 - 4.7/1521=7, 3.0/1788=6...(17) H LEU 59 + H LYS 119 OK 45 99 - 45 - 4.6/263=5, 7072/3.6=5...(18) H ASN 12 + H LYS 119 OK 12 98 - 12 - 5914/3.0=1, 5915/4.0=1 H ASN 106 - H LYS 119 lone 3 65 - 5 - Peak 1790 from nnoeabs.peaks (3.83, 7.60, 118.81 ppm; 3.10 A): 1 out of 12 assignments used, quality = 1.00: HA LYS 119 + H LYS 119 OK 100 100 - 100 - 3.0=100 ! HA THR 116 - H LYS 119 OK 39 100 - 39 - 3.2/7981=6, 3.6/1522=5...(14) HA THR 19 - H LYS 119 OK 13 95 - 14 - 6250=2, 5201/4.0=1...(4) HA LEU 77 - H LYS 119 lone 6 99 - 6 - HA GLU 15 - H LYS 119 lone 6 83 - 7 - HB3 SER 29 - H LYS 119 lone 4 89 - 5 - HA3 GLY 88 - H LYS 119 lone 4 90 - 4 - HB2 SER 29 - H LYS 119 lone 4 87 - 4 - HA2 GLY 88 - H LYS 119 lone 3 83 - 4 - HA3 GLY 39 - H LYS 119 lone 2 76 - 2 - HB2 SER 35 - H LYS 119 lone 1 65 - 2 - HA3 GLY 104 - H LYS 119 lone 1 68 - 1 - Peak 1791 from nnoeabs.peaks (3.62, 7.60, 118.81 ppm; 4.63 A): 5 out of 7 assignments used, quality = 0.93: * HA VAL 115 + H LYS 119 OK 65 100 - 65 - 6248=17, 6243/4.6=16...(13) HA LEU 111 + H LYS 119 OK 50 97 - 52 - 2.9/1792=15, 6218=9...(13) HD2 PRO 70 + H LYS 119 OK 27 99 - 27 - 6247/4.6=6, 2.3/606=5...(5) HA ILE 80 + H LYS 119 OK 24 85 - 28 - ~6109=3, 3.0/1384=3...(12) HA LYS 46 + H LYS 119 OK 23 83 - 28 - 3.9/1386=5, 3.9/1386=5...(10) HA2 GLY 39 - H LYS 119 lone 7 95 - 7 - HA LEU 41 - H LYS 119 lone 5 68 - 7 - 4.1/8029=1 Peak 1792 from nnoeabs.peaks (7.69, 7.60, 118.81 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.76: * H THR 121 + H LYS 119 OK 60 100 - 60 - 1799=17, 6266/3.0=14...(9) H LEU 111 + H LYS 119 OK 41 97 - 42 - 6262/3.6=8, 1752=8...(12) HE21 GLN 103 - H LYS 119 lone 6 83 - 7 - 6262/3.6=1, 6266/3.0=1 Peak 1794 from nnoeabs.peaks (7.74, 8.65, 114.21 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.81: * H ASN 118 + H VAL 120 OK 55 100 - 56 - 1787=15, 3.6/1795=12...(11) H LEU 58 + H VAL 120 OK 45 93 - 48 - 1467=11, 603/4.6=7...(13) H LEU 91 + H VAL 120 OK 13 97 - 13 - 4.5/7590=5, 603/4.6=2 H SER 90 + H VAL 120 OK 12 93 - 13 - 7567/4.0=4, 603/4.6=2 H LEU 126 - H VAL 120 lone 5 96 - 5 - 603/4.6=1 HE21 GLN 103 - H VAL 120 lone 2 65 - 2 - Peak 1795 from nnoeabs.peaks (3.99, 8.65, 114.21 ppm; 4.37 A): 4 out of 4 assignments used, quality = 0.90: * HA LEU 117 + H VAL 120 OK 78 100 - 78 - 6258/3.8=16, 8060/4.0=16...(16) HA THR 62 + H VAL 120 OK 32 99 - 32 - 8060/4.0=8, 6259/3.8=6...(6) HA ARG 81 + H VAL 120 OK 24 100 - 24 - 1788/4.6=4, 8060/4.0=4...(7) HA PHE 107 + H VAL 120 OK 16 85 - 18 - 6196/4.6=4, 8060/4.0=3...(6) Peak 1796 from nnoeabs.peaks (3.83, 8.65, 114.21 ppm; 3.73 A): 2 out of 12 assignments used, quality = 1.00: HA LYS 119 + H VAL 120 OK 100 100 - 100 - 3.6=100 * HA THR 116 + H VAL 120 OK 52 100 - 52 - 3.2/5904=9, 8061/4.0=8...(15) HA THR 19 - H VAL 120 OK 16 95 - 17 - 6255=2, 6250/4.6=2...(7) HA LEU 77 - H VAL 120 lone 9 99 - 9 - 6108/4.7=1 HA GLU 15 - H VAL 120 lone 6 83 - 7 - HA3 GLY 88 - H VAL 120 lone 5 90 - 5 - HB3 SER 29 - H VAL 120 lone 4 89 - 5 - HB2 SER 29 - H VAL 120 lone 4 87 - 4 - HA2 GLY 88 - H VAL 120 lone 4 83 - 4 - HA3 GLY 104 - H VAL 120 lone 4 68 - 5 - 3.6/1508=3 HB2 SER 35 - H VAL 120 lone 3 65 - 4 - 8061/4.0=1 HA3 GLY 39 - H VAL 120 lone 1 76 - 2 - Peak 1797 from nnoeabs.peaks (7.65, 8.65, 114.21 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.72: * H ALA 122 + H VAL 120 OK 66 100 - 66 - 6267/3.6=19, 624/4.6=17...(9) H GLU 56 + H VAL 120 OK 17 57 - 29 - 2.9/8300=5, 3.6/6999=5...(11) HD21 ASN 108 - H VAL 120 lone 8 100 - 8 - 6275/3.0=2, 1524/4.6=2 Peak 1798 from nnoeabs.peaks (3.83, 7.69, 109.09 ppm; 4.68 A): 3 out of 14 assignments used, quality = 0.89: * HA LYS 119 + H THR 121 OK 78 100 - 78 - 6266=30, 3.6/1523=25...(9) HA THR 116 + H THR 121 OK 44 100 - 45 - 8061/3.9=12, 3.6/619=11...(10) HA THR 19 + H THR 121 OK 12 97 - 13 - 8061/3.9=2, 8059/3.9=2...(5) HA LEU 77 - H THR 121 lone 9 100 - 9 - 8061/3.9=1, 8059/3.9=1...(4) HA THR 33 - H THR 121 lone 6 63 - 10 - ~6617=2, ~129=2, ~6619=1...(5) HB THR 33 - H THR 121 lone 6 60 - 9 - 6617/3.0=2, ~6619=2...(4) HB3 SER 29 - H THR 121 lone 6 83 - 7 - 3.0/1397=1 HA GLU 15 - H THR 121 lone 5 89 - 6 - 8061/3.9=1, 8059/3.9=1 HB2 SER 29 - H THR 121 lone 5 81 - 6 - 3.0/1397=1 HB2 SER 35 - H THR 121 lone 5 73 - 6 - 8061/3.9=2, 8059/3.9=2 HA3 GLY 88 - H THR 121 lone 4 85 - 4 - HA2 GLY 88 - H THR 121 lone 3 76 - 3 - HA3 GLY 104 - H THR 121 lone 2 76 - 3 - HA3 GLY 39 - H THR 121 lone 1 68 - 2 - Peak 1799 from nnoeabs.peaks (7.60, 7.69, 109.09 ppm; 4.27 A): 4 out of 6 assignments used, quality = 0.86: * H LYS 119 + H THR 121 OK 71 100 - 71 - 1792=28, 3.0/6266=18...(9) H ARG 57 + H THR 121 OK 30 100 - 30 - 609/4.6=6, 8041/3.9=6...(8) H SER 113 + H THR 121 OK 20 87 - 23 - 1759=5, 4.6/565=5...(6) H GLU 56 + H THR 121 OK 16 71 - 22 - 8069/3.9=5, 8041/3.9=4...(8) H CYS 52 - H THR 121 lone 6 71 - 8 - 3.6/1800=2, 8041/3.9=1 HD21 ASN 12 - H THR 121 lone 5 83 - 6 - 8069/3.9=1, 609/4.6=1 Peak 1800 from nnoeabs.peaks (3.55, 7.69, 109.09 ppm; 4.59 A): 4 out of 4 assignments used, quality = 0.85: * HA ASN 118 + H THR 121 OK 70 100 - 70 - 6262=29, 3.6/1792=19...(12) HD2 PRO 60 + H THR 121 OK 35 100 - 35 - 8092/4.0=8, 6264/4.0=6...(9) HB2 ASP 47 + H THR 121 OK 14 99 - 14 - 6264/4.0=3, 8092/4.0=3...(5) HA LEU 51 + H THR 121 OK 11 97 - 12 - 1806/4.6=3, 8092/4.0=2...(5) Peak 1801 from nnoeabs.peaks (3.99, 7.69, 109.09 ppm; 4.71 A): 4 out of 4 assignments used, quality = 0.87: * HA LEU 117 + H THR 121 OK 69 100 - 69 - 8060/3.9=19, 6258/4.4=16...(10) HA THR 62 + H THR 121 OK 30 99 - 30 - 8060/3.9=10, 6259/4.4=6...(6) HA PHE 107 + H THR 121 OK 24 85 - 29 - 6196=9, 8093/4.0=5...(10) HA ARG 81 + H THR 121 OK 20 100 - 20 - 8060/3.9=5, 1795/4.6=4...(6) Peak 1802 from nnoeabs.peaks (8.16, 7.69, 109.09 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.81: * H ASP 123 + H THR 121 OK 81 100 - 81 - 1525/4.6=36, 6276/3.6=33...(5) Peak 1803 from nnoeabs.peaks (4.08, 7.65, 125.52 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.88: * HA VAL 120 + H ALA 122 OK 86 100 - 86 - 6275=34, 3.6/624=32...(14) HA LYS 31 + H ALA 122 OK 15 100 - 15 - 2399/4.2=3, 620/4.6=3...(6) HA LEU 55 - H ALA 122 poor 10 68 - 15 - 620/4.6=2, 6999/1797=2...(5) HA SER 44 - H ALA 122 lone 5 92 - 5 - 1809/4.6=3 HA SER 112 - H ALA 122 lone 4 73 - 6 - 620/4.6=2 HA LEU 24 - H ALA 122 lone 3 93 - 3 - Peak 1804 from nnoeabs.peaks (8.65, 7.65, 125.52 ppm; 4.41 A): 3 out of 5 assignments used, quality = 0.94: * H VAL 120 + H ALA 122 OK 85 100 - 85 - 1797=36, 3.6/6267=26...(11) H LEU 117 + H ALA 122 OK 39 97 - 41 - 619/4.6=8, 8071/4.2=8...(12) H LEU 59 + H ALA 122 OK 38 90 - 42 - 8071/4.2=6, 7081=6...(16) H ASN 106 - H ALA 122 lone 6 89 - 6 - 619/4.6=1 H ASN 12 - H ALA 122 lone 4 85 - 5 - Peak 1805 from nnoeabs.peaks (3.83, 7.65, 125.52 ppm; 3.99 A): 2 out of 14 assignments used, quality = 0.73: * HA LYS 119 + H ALA 122 OK 67 100 - 67 - 6267=40, 3.6/1797=20...(7) HA THR 116 + H ALA 122 OK 20 100 - 20 - 3.6/1804=5, 1798/4.6=4...(7) HA THR 19 - H ALA 122 lone 8 97 - 8 - 1810/4.6=1, 1798/4.6=1 HA LEU 77 - H ALA 122 lone 6 100 - 6 - 7343/2.9=2, 1810/4.6=1 HB3 SER 29 - H ALA 122 lone 4 83 - 4 - HB2 SER 29 - H ALA 122 lone 3 81 - 4 - HA3 GLY 88 - H ALA 122 lone 3 85 - 4 - HA2 GLY 88 - H ALA 122 lone 3 76 - 4 - HA GLU 15 - H ALA 122 lone 3 89 - 3 - HB THR 33 - H ALA 122 lone 2 60 - 4 - 6617/3.6=1 HB2 SER 35 - H ALA 122 lone 2 73 - 3 - HA3 GLY 104 - H ALA 122 lone 1 76 - 2 - HA THR 33 - H ALA 122 lone 1 63 - 2 - HA3 GLY 39 - H ALA 122 lone 1 68 - 1 - Peak 1806 from nnoeabs.peaks (3.55, 7.65, 125.52 ppm; 5.01 A): 4 out of 4 assignments used, quality = 0.75: * HA ASN 118 + H ALA 122 OK 51 100 - 51 - 6262/4.6=17, 6263/4.4=13...(10) HD2 PRO 60 + H ALA 122 OK 31 100 - 31 - 8092/4.2=9, 1800/4.6=7...(6) HA LEU 51 + H ALA 122 OK 14 97 - 14 - 1800/4.6=2, 8092/4.2=2...(5) HB2 ASP 47 + H ALA 122 OK 13 99 - 13 - 6264/4.4=4, 8092/4.2=4...(4) Peak 1807 from nnoeabs.peaks (4.41, 8.16, 117.45 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.70: * HA THR 121 + H ASP 123 OK 70 100 - 70 - 3.6/1525=34, 6281=25...(7) HA LYS 32 - H ASP 123 lone 9 95 - 9 - 8110/4.6=5, 625/4.6=2 HA SER 113 - H ASP 123 poor 6 60 - 10 - 8110/4.6=4, 6281=2, 8126/8100=1 HA LEU 93 - H ASP 123 lone 4 60 - 7 - 8064/8042=2, 8065/6276=2...(4) HA SER 29 - H ASP 123 lone 4 73 - 5 - 3.0/1810=1, 3.0/1810=1 Peak 1809 from nnoeabs.peaks (4.08, 8.16, 117.45 ppm; 4.35 A): 2 out of 6 assignments used, quality = 0.83: * HA VAL 120 + H ASP 123 OK 80 100 - 80 - 6276=33, 3.2/8042=24...(8) HA SER 44 + H ASP 123 OK 16 92 - 17 - 6278/4.0=4, 6280/4.0=4...(4) HA LYS 31 - H ASP 123 lone 10 100 - 10 - 1803/4.6=3, 5296/8042=2...(5) HA LEU 55 - H ASP 123 poor 8 68 - 12 - 7009/8042=2, 4.0/8099=2...(6) HA SER 112 - H ASP 123 lone 4 73 - 6 - 4.9/1807=1 HA LEU 24 - H ASP 123 lone 3 93 - 3 - Peak 1810 from nnoeabs.peaks (3.83, 8.16, 117.45 ppm; 4.98 A): 2 out of 14 assignments used, quality = 0.52: * HA LYS 119 + H ASP 123 OK 43 100 - 44 - 6267/4.6=26, 6272/3.6=13...(4) HA THR 116 + H ASP 123 OK 16 100 - 16 - 1805/4.6=5, 8059/8042=4...(4) HA THR 19 - H ASP 123 lone 8 97 - 8 - 1805/4.6=2, 6273/3.6=1 HA LEU 77 - H ASP 123 lone 7 100 - 7 - 7343/3.6=3, 1805/4.6=1 HB3 SER 29 - H ASP 123 lone 5 83 - 5 - 3.0/1807=2 HB2 SER 29 - H ASP 123 lone 4 81 - 5 - 3.0/1807=2 HA3 GLY 88 - H ASP 123 lone 4 85 - 4 - HA2 GLY 88 - H ASP 123 lone 3 76 - 4 - HA GLU 15 - H ASP 123 lone 3 89 - 3 - HB THR 33 - H ASP 123 lone 2 60 - 4 - HB2 SER 35 - H ASP 123 lone 2 73 - 3 - HA THR 33 - H ASP 123 lone 2 63 - 3 - HA3 GLY 104 - H ASP 123 lone 2 76 - 2 - HA3 GLY 39 - H ASP 123 lone 1 68 - 2 - Peak 6282 from nnoeabs.peaks (10.21, 10.21, 131.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 20 + HE1 TRP 20 OK 100 100 - 100 Peak 6283 from nnoeabs.peaks (2.12, 8.67, 120.34 ppm; 4.40 A): 0 out of 7 assignments used, low quality = 0.21: HB2 LEU 101 - H ASN 12 OK 11 85 - 14 - 6285/4.0=5, 6284/4.0=4...(4) HB3 PRO 70 - H ASN 12 OK 11 92 - 12 - 6285/4.0=3, 8319/3.6=3...(4) HB VAL 115 - H ASN 12 lone 4 89 - 5 - 4.0/1772=2, 4.4/1519=2 HB3 GLU 15 - H ASN 12 lone 4 89 - 4 - 3.0/13=2 HB2 PRO 30 - H ASN 12 lone 3 90 - 4 - 5513/4.7=1 HG3 GLU 69 - H ASN 12 lone 2 63 - 3 - HG2 GLU 69 - H ASN 12 lone 1 60 - 2 - Peak 6286 from nnoeabs.peaks (2.23, 6.96, 112.64 ppm; 4.79 A): 3 out of 12 assignments used, quality = 0.48: HG2 GLU 56 + HD22 ASN 12 OK 27 96 - 28 - 3279/1.7=8, ~3285=6...(9) HB2 PRO 70 + HD22 ASN 12 OK 17 97 - 17 - 8176/3.5=5, ~6285=4...(4) HG3 GLU 15 + HD22 ASN 12 OK 15 89 - 17 - 8176/3.5=6, ~8175=5...(4) HG2 GLU 38 - HD22 ASN 12 lone 8 99 - 8 - 8176/3.5=2, ~8176=2 HG3 GLU 38 - HD22 ASN 12 lone 8 99 - 8 - 8176/3.5=2, ~8176=2 HB3 LEU 117 - HD22 ASN 12 lone 4 100 - 4 - 8176/3.5=1, 5144/5.7=1 HG3 GLU 64 - HD22 ASN 12 lone 3 100 - 3 - HB3 PRO 37 - HD22 ASN 12 lone 2 85 - 3 - ~5998=1 HG3 GLU 28 - HD22 ASN 12 lone 2 100 - 2 - HG2 GLU 28 - HD22 ASN 12 lone 2 100 - 2 - HG2 GLU 94 - HD22 ASN 12 lone 2 100 - 2 - HB2 PRO 68 - HD22 ASN 12 lone 2 100 - 2 - Peak 6294 from nnoeabs.peaks (0.75, 8.84, 126.92 ppm; 4.11 A): 5 out of 8 assignments used, quality = 0.95: HG LEU 111 + H ALA 14 OK 73 100 - 73 - 2.1/7895=18, 6298/3.0=13...(16) QD2 LEU 111 + H ALA 14 OK 62 87 - 71 - 2.1/7895=19, 7896=12...(16) QD1 LEU 84 + H ALA 14 OK 26 100 - 26 - 6305/2.9=4, 6298/3.0=4...(11) QD2 LEU 93 + H ALA 14 OK 22 100 - 22 - 6298/3.0=4, 6305/2.9=3...(7) QG2 ILE 63 + H ALA 14 OK 13 97 - 14 - 6298/3.0=2, 6305/2.9=2...(5) QD1 LEU 91 - H ALA 14 lone 9 99 - 9 - 6290/4.5=2, 6305/2.9=2 QG2 VAL 66 - H ALA 14 lone 8 78 - 10 - 6290/4.5=1, 7188/5597=1 QD1 LEU 114 - H ALA 14 lone 3 65 - 4 - Peak 6299 from nnoeabs.peaks (0.92, 8.84, 126.92 ppm; 4.77 A): 9 out of 11 assignments used, quality = 0.94: QG2 VAL 49 + H ALA 14 OK 40 100 - 40 - 2.1/5599=8, 5600=7...(11) QD1 LEU 41 + H ALA 14 OK 35 96 - 37 - ~6755=11, 6297/3.0=8...(9) QG2 ILE 22 + H ALA 14 OK 31 100 - 32 - 6289/4.5=5, 6297/3.0=5...(10) QG2 VAL 115 + H ALA 14 OK 29 100 - 29 - 6297/3.0=8, 6304/2.9=6...(6) QD2 LEU 27 + H ALA 14 OK 26 100 - 26 - 6297/3.0=4, 6304/2.9=3...(9) QD1 LEU 27 + H ALA 14 OK 24 99 - 24 - 6297/3.0=4, 6304/2.9=3...(9) QD1 LEU 117 + H ALA 14 OK 20 97 - 20 - 6304/2.9=3, 5600=3...(7) HB2 GLN 42 + H ALA 14 OK 15 100 - 15 - 6304/2.9=3, 6297/3.0=3...(5) QD1 ILE 63 + H ALA 14 OK 15 81 - 18 - 3.2/6294=2, 6297/3.0=2...(8) QD1 LEU 55 - H ALA 14 poor 9 92 - 10 - 5600=2, 6289/4.5=1, 6297/3.0=1 QD1 LEU 126 - H ALA 14 lone 7 96 - 7 - 5411/3.6=1 Peak 6300 from nnoeabs.peaks (2.09, 8.84, 126.92 ppm; 4.62 A): 8 out of 13 assignments used, quality = 0.94: HB2 GLU 15 + H ALA 14 OK 59 100 - 59 - 4.0/25=25, 3.0/23=8...(13) HB3 GLN 16 + H ALA 14 OK 37 99 - 37 - 3.0/802=5, 6309/2.9=5...(11) HB3 GLU 38 + H ALA 14 OK 36 65 - 56 - 3.0/24=10, ~6311=9...(15) HB2 GLN 16 + H ALA 14 OK 36 99 - 37 - 3.0/802=5, 6309/2.9=5...(11) HB2 ARG 57 + H ALA 14 OK 15 92 - 16 - 6309/2.9=2, ~6307=2...(4) HB2 LEU 101 + H ALA 14 OK 13 95 - 13 - 5833/4.6=2, 806/4.6=2...(5) HB3 PRO 70 + H ALA 14 OK 11 89 - 13 - 806/4.6=3, 1.8/6301=1...(6) HB ILE 63 + H ALA 14 OK 11 76 - 15 - 2.1/6294=3, 3.2/6299=2...(5) HG LEU 21 - H ALA 14 lone 7 100 - 7 - HG2 GLU 64 - H ALA 14 lone 7 92 - 7 - HB2 LEU 114 - H ALA 14 lone 7 100 - 7 - HG3 GLU 69 - H ALA 14 lone 4 100 - 4 - 806/4.6=2 HB2 GLN 105 - H ALA 14 lone 3 97 - 3 - Peak 6301 from nnoeabs.peaks (2.23, 8.84, 126.92 ppm; 4.67 A): 5 out of 13 assignments used, quality = 0.96: HB3 PRO 37 + H ALA 14 OK 56 95 - 60 - ~6307=11, 6310/2.9=8...(18) HG2 GLU 38 + H ALA 14 OK 51 96 - 53 - 6310/2.9=8, 4.0/24=8...(15) HG3 GLU 38 + H ALA 14 OK 50 95 - 53 - 6310/2.9=8, 4.0/24=8...(15) HG3 GLU 15 + H ALA 14 OK 41 76 - 55 - 4.6/25=23, 6321/2.9=8...(8) HG2 PRO 37 + H ALA 14 OK 41 68 - 60 - 6700/4.6=10, ~6307=9...(18) HB3 LEU 117 - H ALA 14 OK 18 100 - 18 - 6310/2.9=3, ~6307=2...(6) HB2 PRO 70 - H ALA 14 OK 12 90 - 13 - 809/4.6=3, 1.8/6300=2...(4) HG3 GLU 64 - H ALA 14 lone 8 98 - 8 - 1.8/6300=1, 6310/2.9=1 HG3 GLU 28 - H ALA 14 lone 7 100 - 7 - 5.1/21=2 HG2 GLU 28 - H ALA 14 lone 7 100 - 7 - 5.1/21=2 HG2 GLU 56 - H ALA 14 lone 6 87 - 7 - HB2 PRO 68 - H ALA 14 lone 5 99 - 5 - HG2 GLU 94 - H ALA 14 lone 4 97 - 4 - Peak 6326 from nnoeabs.peaks (0.83, 6.71, 111.63 ppm; 4.81 A): 0 out of 10 assignments used, low quality = 0.00: QD2 LEU 114 - HE22 GLN 16 lone 7 68 - 10 - 3.1/730=2, 5086/4.5=2 QD1 LEU 111 - HE22 GLN 16 lone 4 60 - 7 - 7902/5.4=2, 7909/4.5=2 QD2 LEU 55 - HE22 GLN 16 lone 1 78 - 2 - QD2 LEU 91 - HE22 GLN 16 lone 1 97 - 1 - QD1 LEU 93 - HE22 GLN 16 lone 1 100 - 1 - QG1 VAL 115 - HE22 GLN 16 lone 1 100 - 1 - HB2 ASN 118 - HE22 GLN 16 lone 1 100 - 1 - QD1 LEU 59 - HE22 GLN 16 lone 1 90 - 1 - HG13 ILE 22 - HE22 GLN 16 lone 1 96 - 1 - QD1 ILE 22 - HE22 GLN 16 lone 1 71 - 1 - Peak 6328 from nnoeabs.peaks (1.21, 7.99, 118.31 ppm; 4.24 A): 4 out of 14 assignments used, quality = 0.80: QG2 VAL 18 + H THR 17 OK 50 99 - 50 - 4.0/1432=16, 8393/4.0=10...(13) QG2 VAL 18 + H THR 116 OK 28 70 - 40 - 5459=7, 7978/4.3=7...(12) HB3 LEU 111 + H THR 17 OK 27 100 - 27 - 3.1/7898=13, 825/4.7=3...(7) HB3 LEU 111 + H THR 116 OK 24 72 - 33 - 7978/4.3=8, 3.1/7898=6...(10) HG2 LYS 32 - H THR 116 poor 9 72 - 12 - 3.8/1775=2, 2520/4.1=2, ~8754=1 HB3 LEU 24 - H THR 17 lone 8 99 - 8 - 825/4.7=3, ~6468=1 HB2 LEU 77 - H THR 116 poor 6 49 - 12 - 7978/4.3=3, 3.0/1538=1 HB2 LEU 77 - H THR 17 lone 6 78 - 7 - 825/4.7=2 HG2 LYS 32 - H THR 17 lone 4 100 - 4 - 825/4.7=2 HG LEU 77 - H THR 116 lone 4 51 - 9 - 4012/3.0=1, ~4019=1 HG LEU 77 - H THR 17 lone 4 81 - 5 - 825/4.7=1 HB3 LEU 24 - H THR 116 lone 3 70 - 5 - HG13 ILE 124 - H THR 17 lone 1 65 - 2 - HG13 ILE 124 - H THR 116 lone 1 40 - 2 - Peak 6329 from nnoeabs.peaks (0.92, 7.99, 118.31 ppm; 3.83 A): 6 out of 26 assignments used, quality = 0.93: QG2 VAL 115 + H THR 116 OK 59 68 - 87 - 4.3=71, 5113/4.6=14...(12) QG2 VAL 115 + H THR 17 OK 49 98 - 50 - 8603/4.8=17, 7976/4.0=9...(12) QD1 LEU 41 + H THR 17 OK 26 89 - 29 - 8412=6, 8729/4.7=6...(7) QG2 ILE 22 + H THR 116 OK 22 68 - 32 - 2159/4.3=4, 5102/3.6=4...(15) QG2 ILE 22 + H THR 17 OK 22 98 - 22 - 6436/4.0=3, 6426/4.7=3...(8) QD2 LEU 41 + H THR 17 OK 22 68 - 32 - 8728/4.7=8, 6756/4.0=6...(8) QD2 LEU 27 - H THR 17 OK 17 99 - 17 - 6354/4.7=3, 6335/4.0=3...(6) QD1 LEU 27 - H THR 17 OK 16 97 - 17 - 6354/4.7=3, 8412=2...(6) QD1 LEU 117 - H THR 116 OK 12 70 - 17 - 4.6/592=8, 5102/3.6=2...(5) HB2 GLN 42 - H THR 17 OK 11 100 - 11 - ~5969=2, 6335/4.0=2...(4) QD1 LEU 55 - H THR 116 poor 9 53 - 17 - 5102/3.6=3, 5112/4.3=2...(7) QD2 LEU 27 - H THR 116 poor 8 69 - 11 - 5102/3.6=2, 1373/4.6=2...(4) QD1 LEU 41 - H THR 116 poor 7 58 - 12 - 5102/3.6=2, 1363/4.6=2...(4) QD1 LEU 27 - H THR 116 poor 7 66 - 11 - 5102/3.6=2, 5112/4.3=1...(4) QD1 ILE 63 - H THR 17 lone 7 68 - 10 - 5.0/34=1, 3533/4.6=1 HB2 GLN 42 - H THR 116 lone 7 72 - 9 - 6013/3.6=3 QG2 VAL 49 - H THR 17 lone 6 100 - 6 - QD1 LEU 117 - H THR 17 lone 6 99 - 5 - QD1 LEU 55 - H THR 17 lone 5 83 - 6 - QG2 VAL 49 - H THR 116 lone 4 71 - 6 - 1373/4.6=1 QD2 LEU 41 - H THR 116 lone 4 42 - 9 - 2806/3.6=2 QD1 LEU 126 - H THR 17 lone 4 99 - 4 - QD1 LEU 126 - H THR 116 lone 3 70 - 4 - QD1 ILE 63 - H THR 116 lone 2 42 - 6 - QD1 ILE 124 - H THR 17 lone 1 63 - 2 - QD1 ILE 124 - H THR 116 lone 1 38 - 2 - Peak 6330 from nnoeabs.peaks (1.47, 7.99, 118.31 ppm; 4.58 A): 8 out of 34 assignments used, quality = 0.93: QB ALA 14 + H THR 17 OK 69 100 - 69 - 2.1/5951=22, 6313/4.8=20...(11) HG2 LYS 119 + H THR 116 OK 36 70 - 52 - 7965/4.3=7, 7992/4.1=7...(18) HB2 LEU 93 + H THR 116 OK 26 72 - 36 - 7609/4.1=8, 4478/3.8=8...(11) QB ALA 14 + H THR 116 OK 23 72 - 32 - 6315=7, 2.1/5951=6...(9) HD2 LYS 46 + H THR 116 OK 13 68 - 19 - 2970/3.6=4, 7965/4.3=4...(5) HB3 LEU 58 + H THR 116 OK 12 53 - 22 - 5647/4.6=3, ~6251=2...(9) HD2 LYS 46 + H THR 17 OK 11 98 - 12 - 2.9/821=2, 2.9/821=2...(4) HG LEU 93 + H THR 116 OK 11 44 - 25 - 7992/4.1=5, 4492/3.8=4...(8) HG2 LYS 119 - H THR 17 lone 7 99 - 7 - 1.8/821=1 HG LEU 91 - H THR 116 poor 7 49 - 14 - ~6371=2, 7992/4.1=2...(6) HB3 LEU 58 - H THR 17 lone 6 83 - 7 - HG LEU 24 - H THR 17 lone 6 89 - 7 - ~6468=2, 3.0/6328=2 HB2 LEU 93 - H THR 17 lone 6 100 - 6 - 7911/7898=1 HG3 ARG 57 - H THR 17 lone 6 100 - 6 - HG3 LYS 31 - H THR 116 lone 6 71 - 8 - 7992/4.1=1, 7965/4.3=1 HG3 ARG 57 - H THR 116 lone 5 72 - 7 - 7992/4.1=1, 7965/4.3=1 HB3 LEU 101 - H THR 17 lone 5 63 - 7 - 4.6/34=1 HB3 GLU 75 - H THR 17 lone 4 89 - 5 - HG2 LYS 109 - H THR 116 lone 4 64 - 7 - 3.7/6205=1 HG2 LYS 109 - H THR 17 lone 4 95 - 4 - HB3 LEU 101 - H THR 116 lone 3 38 - 8 - 7992/4.1=2, ~6372=1 HG LEU 93 - H THR 17 lone 3 71 - 4 - QB ALA 89 - H THR 116 lone 3 40 - 7 - 7965/4.3=2 HG LEU 24 - H THR 116 lone 3 58 - 5 - HB3 LEU 45 - H THR 17 lone 2 89 - 3 - HG LEU 91 - H THR 17 lone 2 78 - 3 - HB3 GLU 75 - H THR 116 lone 2 58 - 4 - HG3 LYS 31 - H THR 17 lone 2 100 - 2 - QB ALA 89 - H THR 17 lone 2 65 - 3 - HB3 LEU 45 - H THR 116 lone 2 58 - 3 - HD2 LYS 65 - H THR 116 lone 2 46 - 4 - HD3 LYS 65 - H THR 116 lone 2 46 - 4 - HD2 LYS 65 - H THR 17 lone 1 73 - 2 - HD3 LYS 65 - H THR 17 lone 1 73 - 2 - Peak 6354 from nnoeabs.peaks (0.92, 8.59, 122.52 ppm; 3.75 A): 7 out of 11 assignments used, quality = 0.94: QD1 LEU 41 + H VAL 18 OK 54 95 - 57 - 2.1/8728=20, 8729=13...(12) QG2 VAL 115 + H VAL 18 OK 44 100 - 45 - 8603/8464=9, 7976/4.6=8...(10) QD2 LEU 27 + H VAL 18 OK 36 100 - 36 - 6532/3.0=11, 2.1/8729=5...(12) QD1 LEU 27 + H VAL 18 OK 35 99 - 35 - ~6532=7, 8729=6...(14) QG2 ILE 22 + H VAL 18 OK 27 100 - 27 - ~6440=4, 6426=4...(10) HB2 GLN 42 + H VAL 18 OK 13 100 - 13 - 6335/4.4=2, 6333/4.6=2...(5) QG2 VAL 49 + H VAL 18 OK 10 100 - 10 - 6906/3.0=2, 8280/4.0=1 QD1 LEU 117 - H VAL 18 lone 7 97 - 7 - QD1 LEU 55 - H VAL 18 lone 7 90 - 8 - 6906/3.0=1 QD1 ILE 63 - H VAL 18 lone 6 78 - 7 - QD1 LEU 126 - H VAL 18 lone 4 97 - 4 - Peak 6355 from nnoeabs.peaks (2.09, 8.59, 122.52 ppm; 4.54 A): 4 out of 13 assignments used, quality = 0.97: HB3 GLN 16 + H VAL 18 OK 61 99 - 62 - 3.0/5960=19, 4.1/1432=18...(13) HB2 GLN 16 + H VAL 18 OK 61 99 - 62 - 3.0/5960=19, 4.1/1432=18...(13) HB2 GLU 15 + H VAL 18 OK 55 100 - 55 - 3.0/5956=25, 4.6/1537=15...(11) HG LEU 21 + H VAL 18 OK 55 100 - 55 - ~6417=11, ~6359=11...(14) HB3 PRO 70 - H VAL 18 OK 44 89 - 50 - 2.3/824=9, 3823/3.0=8...(13) HG3 GLU 69 - H VAL 18 OK 19 100 - 19 - 7248/3.0=4, ~7247=4...(6) HB2 LEU 114 - H VAL 18 OK 16 100 - 16 - 7942/4.4=5, 6331/3.5=3...(5) HB2 LEU 101 - H VAL 18 OK 14 95 - 15 - 3.1/826=3, 4656/4.0=2...(5) HB ILE 63 - H VAL 18 lone 7 76 - 9 - HB2 GLN 105 - H VAL 18 lone 6 97 - 6 - HB2 ARG 57 - H VAL 18 lone 6 92 - 6 - 6356/3.0=1 HG2 GLU 64 - H VAL 18 lone 5 92 - 5 - HB3 GLU 38 - H VAL 18 lone 3 65 - 4 - Peak 6380 from nnoeabs.peaks (2.08, 8.28, 125.58 ppm; 4.51 A): 7 out of 15 assignments used, quality = 0.94: HG3 GLU 69 + H TRP 20 OK 52 95 - 56 - 3783=10, 1.8/3777=10...(13) HG LEU 21 + H TRP 20 OK 48 100 - 48 - 4.7/1435=23, 2.1/5477=6...(9) HB2 GLN 16 + H TRP 20 OK 35 100 - 35 - 3.0/5964=18, 4.1/51=7...(8) HB3 GLN 16 + H TRP 20 OK 35 100 - 35 - 3.0/5964=18, 4.1/51=7...(8) HB2 GLU 15 + H TRP 20 OK 22 98 - 22 - 1911/3.6=6, 3.0/52=4...(6) HB3 PRO 70 + H TRP 20 OK 16 68 - 23 - 3.0/7277=7, 3.0/7274=6...(5) HB2 LEU 114 + H TRP 20 OK 14 100 - 14 - 7952/8.2=3, 6548/4.0=2...(4) HB2 LEU 101 - H TRP 20 poor 10 78 - 12 - 845/4.7=3, 7730/4.2=2 HG2 GLU 64 - H TRP 20 lone 8 99 - 8 - 3783=1, 845/4.7=1 HB2 ARG 57 - H TRP 20 lone 8 99 - 8 - 845/4.7=2 HB ILE 63 - H TRP 20 lone 7 93 - 8 - 845/4.7=1 HB2 GLN 105 - H TRP 20 lone 6 100 - 6 - HG3 PRO 37 - H TRP 20 lone 4 63 - 6 - 2.3/1556=3 HB3 GLU 38 - H TRP 20 lone 3 87 - 4 - HB3 ARG 81 - H TRP 20 lone 3 68 - 5 - Peak 6385 from nnoeabs.peaks (0.99, 10.21, 131.78 ppm; 4.40 A): 2 out of 8 assignments used, quality = 0.96: QD1 LEU 58 + HE1 TRP 20 OK 79 99 - 80 - 7049/2.8=31, 2.1/8504=25...(10) QD2 LEU 58 + HE1 TRP 20 OK 79 100 - 79 - 8504=33, 2.1/8505=24...(11) QG1 VAL 18 - HE1 TRP 20 OK 32 97 - 32 - 8504=12, 6353/2.8=7...(7) HB3 LEU 27 - HE1 TRP 20 OK 20 96 - 21 - ~6535=6, 4652/2.8=4...(6) QD1 LEU 101 - HE1 TRP 20 OK 14 98 - 14 - 4652/2.8=2, 7721/5.9=2...(5) HG3 LYS 65 - HE1 TRP 20 OK 10 93 - 11 - 4652/2.8=2, 4662/5.0=1...(6) HG2 LYS 65 - HE1 TRP 20 OK 10 93 - 11 - 4652/2.8=2, 4662/5.0=1...(6) QG2 THR 95 - HE1 TRP 20 lone 3 83 - 4 - Peak 6386 from nnoeabs.peaks (0.67, 10.21, 131.78 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.95: QD2 LEU 24 + HE1 TRP 20 OK 93 98 - 94 - 8202=46, 2.1/6387=37...(18) QD1 LEU 21 + HE1 TRP 20 OK 33 87 - 38 - ~4654=6, ~6389=6...(12) QD1 LEU 45 - HE1 TRP 20 OK 15 65 - 23 - 4.0/8387=4, 4629/2.6=4...(10) QD1 LEU 77 - HE1 TRP 20 lone 8 89 - 9 - 4653/2.8=2, 4641/5.3=2...(4) QG1 VAL 66 - HE1 TRP 20 lone 5 73 - 7 - 4653/2.8=2, 4641/5.3=2 Peak 6387 from nnoeabs.peaks (0.06, 10.21, 131.78 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.91: QD1 LEU 24 + HE1 TRP 20 OK 91 100 - 91 - 8203=34, 2.1/8202=32...(16) Peak 6400 from nnoeabs.peaks (0.94, 8.21, 116.61 ppm; 4.31 A): 5 out of 12 assignments used, quality = 0.91: QG2 ILE 22 + H LEU 21 OK 55 95 - 58 - 4.0/65=20, 4.1/1569=18...(12) QD2 LEU 27 + H LEU 21 OK 49 93 - 52 - 6529/4.7=12, 6527/4.7=11...(11) QD1 LEU 27 + H LEU 21 OK 38 97 - 40 - 6538/4.6=7, 6404/3.8=6...(10) QD1 ILE 63 + H LEU 21 OK 22 100 - 22 - 7154/3.0=8, 6404/3.8=2...(6) QD1 LEU 41 + H LEU 21 OK 21 100 - 21 - 6404/3.8=2, 6538/4.6=2...(9) QD1 LEU 55 - H LEU 21 OK 17 100 - 17 - ~7015=4, 851/4.6=2...(5) QG2 VAL 49 - H LEU 21 OK 15 89 - 17 - ~8279=4, 6402/3.0=2...(5) QG2 VAL 115 - H LEU 21 OK 15 95 - 16 - 7977/6346=3, 851/4.6=2...(5) HB2 GLN 42 - H LEU 21 OK 11 83 - 14 - 3.0/58=4, 2828/4.5=1, 6402/3.0=1 QD1 LEU 117 - H LEU 21 lone 6 63 - 10 - 6404/3.8=1, 6402/3.0=1 QD1 LEU 126 - H LEU 21 lone 3 60 - 5 - QG2 ILE 124 - H LEU 21 lone 3 81 - 4 - Peak 6401 from nnoeabs.peaks (1.35, 8.21, 116.61 ppm; 4.81 A): 1 out of 8 assignments used, quality = 0.51: QG2 THR 17 + H LEU 21 OK 51 73 - 69 - 6346=29, 6337/4.7=16...(9) HG2 LYS 46 - H LEU 21 poor 8 73 - 11 - 6416/4.7=2, 2.9/8594=2...(4) HG3 LYS 46 - H LEU 21 poor 8 73 - 11 - 6416/4.7=2, 2.9/8594=2...(4) QB ALA 43 - H LEU 21 lone 5 85 - 6 - HB3 LEU 59 - H LEU 21 lone 4 99 - 4 - ~7015=1 QG2 THR 121 - H LEU 21 lone 2 78 - 3 - HB3 LEU 93 - H LEU 21 lone 1 63 - 2 - HG2 LYS 31 - H LEU 21 lone 1 90 - 1 - Peak 6429 from nnoeabs.peaks (1.39, 8.30, 119.46 ppm; 4.94 A): 6 out of 10 assignments used, quality = 0.94: HB2 LEU 27 + H ILE 22 OK 77 100 - 77 - 4.0/6541=18, 3.1/6537=17...(14) HB2 LEU 111 + H ILE 22 OK 36 100 - 37 - 3.1/854=8, 6431/3.0=7...(9) HG LEU 59 + H ILE 22 OK 30 99 - 30 - 6431/3.0=6, 2.1/853=5...(8) HB3 LEU 93 + H ILE 22 OK 22 97 - 23 - 6431/3.0=4, 3.1/853=4...(6) QG2 THR 121 + H ILE 22 OK 17 89 - 19 - 6431/3.0=3, 8084/4.0=2...(8) HB VAL 110 + H ILE 22 OK 10 100 - 10 - 6442/4.9=2, 6405/4.6=2...(4) QB ALA 122 - H ILE 22 lone 8 85 - 9 - 2.1/8458=3 HB2 LEU 51 - H ILE 22 lone 6 68 - 9 - 6405/4.6=2, 6442/4.9=1 HG2 LYS 31 - H ILE 22 lone 4 76 - 6 - QB ALA 98 - H ILE 22 lone 4 60 - 7 - 6405/4.6=1 Peak 6430 from nnoeabs.peaks (1.28, 8.30, 119.46 ppm; 4.98 A): 5 out of 6 assignments used, quality = 0.80: QD1 ILE 80 + H ILE 22 OK 34 97 - 35 - 8344/5.0=11, 6432/3.9=6...(7) QG2 THR 19 + H ILE 22 OK 27 78 - 34 - 3.2/1565=8, 6432/3.9=7...(8) HG LEU 54 + H ILE 22 OK 26 100 - 26 - 2.1/71=12, 3203/5.0=10 QG2 THR 116 + H ILE 22 OK 26 97 - 27 - 6432/3.9=8, 3.2/1565=6...(6) QG2 ILE 80 + H ILE 22 OK 25 96 - 26 - 6432/3.9=6, 7401/4.6=4...(6) HG3 LYS 32 - H ILE 22 lone 7 85 - 8 - 5.0/1567=4, 6432/3.9=2 Peak 6446 from nnoeabs.peaks (7.81, 8.74, 120.32 ppm; 4.76 A): 5 out of 6 assignments used, quality = 0.88: H GLY 25 + H THR 23 OK 79 99 - 80 - 6481=34, 6445/3.0=21...(9) HD21 ASN 99 + H THR 23 OK 14 89 - 16 - 6421/3.6=4, 1439/4.6=3...(5) H LEU 45 + H THR 23 OK 14 73 - 19 - 3.0/1570=9, 6445/3.0=6 HD21 ASN 106 + H THR 23 OK 14 100 - 14 - 6421/3.6=3, 6445/3.0=3...(5) H ASN 79 + H THR 23 OK 11 63 - 17 - 1439/4.6=4, 6427/4.1=3...(5) H ILE 124 - H THR 23 lone 5 63 - 7 - 6421/3.6=2, 4.7/72=1, 6445/3.0=1 Peak 6452 from nnoeabs.peaks (7.27, 8.09, 119.66 ppm; 4.19 A): 5 out of 7 assignments used, quality = 0.93: H VAL 26 + H LEU 24 OK 65 89 - 74 - 6482=16, 4.6/1439=16...(14) HD1 TRP 20 + H LEU 24 OK 49 85 - 57 - 4630/4.8=20, 6449/4.3=12...(10) HE ARG 57 + H LEU 24 OK 39 100 - 39 - 6471/3.0=7, 8551/4.8=5...(14) QD PHE 96 + H LEU 24 OK 20 99 - 20 - 6471/3.0=3, 6474/5.3=2...(9) QE PHE 96 + H LEU 24 OK 14 81 - 17 - 6473/3.9=3, 6471/3.0=3...(5) HZ PHE 40 - H LEU 24 lone 4 65 - 6 - 6476/4.8=1 HE ARG 71 - H LEU 24 lone 4 96 - 4 - Peak 6479 from nnoeabs.peaks (6.75, 7.82, 105.62 ppm; 4.08 A): 3 out of 4 assignments used, quality = 0.78: H LEU 27 + H GLY 25 OK 65 100 - 65 - 6540=25, 1441/4.6=15...(10) HD22 ASN 99 + H GLY 25 OK 27 99 - 27 - 6480/3.0=5, 1441/4.6=5...(9) HZ PHE 107 + H GLY 25 OK 16 100 - 16 - 1441/4.6=3, 4777/4.6=3...(4) HE21 GLN 42 - H GLY 25 lone 8 99 - 8 - 1441/4.6=2, 6480/3.0=1 Peak 6481 from nnoeabs.peaks (8.75, 7.82, 105.62 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.84: H THR 23 + H GLY 25 OK 78 100 - 78 - 6446=28, 4.6/1439=20...(9) H ARG 85 + H GLY 25 OK 31 100 - 31 - 79/4.7=9, 3.0/867=3...(10) H GLU 15 - H GLY 25 lone 4 76 - 6 - 3.7/87=1, 79/4.7=1 Peak 6482 from nnoeabs.peaks (8.10, 7.25, 109.76 ppm; 4.46 A): 5 out of 6 assignments used, quality = 0.87: H LEU 24 + H VAL 26 OK 72 92 - 78 - 4.8/6491=20, 3.9/6496=18...(14) H LEU 55 + H VAL 26 OK 25 87 - 29 - 8234/4.0=9, 7006/4.0=8...(6) HD22 ASN 79 + H VAL 26 OK 19 100 - 19 - 8234/4.0=3, 8229/4.0=3...(6) H THR 33 + H VAL 26 OK 15 100 - 15 - 8229/4.0=2, 83/4.6=2...(4) H GLY 39 + H VAL 26 OK 14 99 - 14 - 8229/4.0=3, 8234/4.0=2...(5) H GLN 105 - H VAL 26 lone 6 92 - 6 - 83/4.6=1, 8229/4.0=1 Peak 6483 from nnoeabs.peaks (0.92, 7.82, 105.62 ppm; 4.50 A): 5 out of 12 assignments used, quality = 0.82: QG2 ILE 22 + H GLY 25 OK 57 99 - 57 - 6427=18, 4.1/6481=17...(9) QD2 LEU 27 + H GLY 25 OK 28 100 - 29 - 4.4/6479=15, 6534/4.6=5...(7) QD1 LEU 27 + H GLY 25 OK 26 99 - 27 - 4.4/6479=15, 6492/4.6=4...(5) QD1 ILE 63 + H GLY 25 OK 11 76 - 15 - 7128=2, 7152/3.0=2...(5) QD1 LEU 41 + H GLY 25 OK 10 93 - 11 - 8267/4.6=3, 880/6479=1 QG2 VAL 115 - H GLY 25 lone 8 99 - 8 - 7975/6421=2, 7978/4.6=1 HB2 GLN 42 - H GLY 25 lone 7 100 - 7 - 4.4/6479=2, 2833/6479=1 QD2 LEU 41 - H GLY 25 poor 7 60 - 12 - 8266/4.6=4, 6754/88=2 QD1 LEU 55 - H GLY 25 lone 5 89 - 6 - 6492/4.6=1 QG2 VAL 49 - H GLY 25 lone 5 100 - 5 - 6492/4.6=2 QD1 LEU 126 - H GLY 25 lone 5 97 - 5 - QD1 LEU 117 - H GLY 25 lone 3 98 - 3 - Peak 6488 from nnoeabs.peaks (0.63, 7.82, 105.62 ppm; 3.77 A): 4 out of 5 assignments used, quality = 0.91: QG2 VAL 26 + H GLY 25 OK 72 100 - 72 - 4.0/90=16, 8228=15...(14) QG1 VAL 26 + H GLY 25 OK 60 89 - 68 - 4.0/90=16, 2.1/8228=13...(13) QD1 LEU 21 + H GLY 25 OK 13 71 - 19 - 2199/3.6=3, 2213/4.6=3...(8) QD1 LEU 45 + H GLY 25 OK 12 90 - 13 - 8614/4.6=2, 3.1/87=2...(6) QD1 LEU 51 - H GLY 25 lone 8 99 - 8 - 6941/4.6=2, 6486/3.0=1 Peak 6489 from nnoeabs.peaks (4.22, 7.82, 105.62 ppm; 3.85 A): 2 out of 9 assignments used, quality = 0.78: HA VAL 26 + H GLY 25 OK 57 100 - 57 - 3.0/90=21, 3.6/6479=13...(10) HA ILE 22 + H GLY 25 OK 49 100 - 49 - 6421=15, 3.6/6481=13...(8) HA SER 13 - H GLY 25 lone 6 100 - 6 - 870/4.6=2 HA VAL 66 - H GLY 25 lone 6 100 - 6 - 1572/4.7=1 HA CYS 52 - H GLY 25 lone 6 100 - 6 - 870/4.6=1 HA THR 17 - H GLY 25 lone 5 89 - 6 - 1572/4.7=1, 870/4.6=1 HA LEU 126 - H GLY 25 lone 4 98 - 4 - HA ALA 89 - H GLY 25 lone 2 71 - 2 - HA3 GLY 61 - H GLY 25 lone 1 73 - 1 - Peak 6490 from nnoeabs.peaks (0.22, 7.25, 109.76 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 21 + H VAL 26 OK 76 97 - 78 - 6395=17, 3.7/6497=17...(20) QD1 LEU 54 + H VAL 26 OK 67 99 - 68 - 8213/4.0=23, 8223/4.0=19...(14) Peak 6491 from nnoeabs.peaks (0.06, 7.25, 109.76 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.87: QD1 LEU 24 + H VAL 26 OK 87 100 - 87 - 8214/4.0=35, 8224/4.0=29...(13) Peak 6492 from nnoeabs.peaks (0.92, 7.25, 109.76 ppm; 4.84 A): 3 out of 11 assignments used, quality = 0.95: QD2 LEU 27 + H VAL 26 OK 68 100 - 68 - 4.4/1441=22, 3.1/6495=12...(18) QD1 LEU 27 + H VAL 26 OK 65 100 - 65 - 4.4/1441=22, 3.1/6495=12...(17) QG2 ILE 22 + H VAL 26 OK 55 100 - 55 - 3.2/6422=16, 6427/4.6=11...(15) QG2 VAL 49 - H VAL 26 OK 27 100 - 27 - 2.1/871=6, 3044/3.9=4...(8) QD1 ILE 63 - H VAL 26 OK 19 87 - 21 - 7146/3.0=3, 7152/3.6=2...(6) QD1 LEU 55 - H VAL 26 OK 16 96 - 17 - 4.6/6482=4, ~8691=1...(7) QD1 LEU 41 - H VAL 26 OK 15 98 - 16 - 879/4.7=4, 6483/4.6=2 HB2 GLN 42 - H VAL 26 OK 13 99 - 13 - 2833/4.7=4, 4.4/1441=3 QD1 LEU 126 - H VAL 26 OK 11 92 - 12 - 5411/3.0=2, ~5418=2...(4) QG2 VAL 115 - H VAL 26 OK 11 100 - 11 - 7975/3.0=2, 7975/6422=2 QD1 LEU 117 - H VAL 26 lone 9 93 - 9 - 6530/6490=1, 3044/3.9=1 Peak 6493 from nnoeabs.peaks (1.03, 7.25, 109.76 ppm; 4.69 A): 4 out of 5 assignments used, quality = 0.88: QD2 LEU 101 + H VAL 26 OK 51 100 - 51 - 7710/4.0=12, 7710/4.0=11...(14) HB3 LEU 27 + H VAL 26 OK 48 71 - 68 - 4.0/1441=23, 1.8/6495=15...(14) HB3 LEU 21 + H VAL 26 OK 45 87 - 52 - 3.0/6497=19, 3.1/6490=17...(12) QG1 VAL 120 + H VAL 26 OK 14 100 - 14 - 8212/4.0=4, ~8181=3, 8226/4.0=1 QG2 THR 33 - H VAL 26 lone 6 83 - 7 - 4.0/6482=3 Peak 6494 from nnoeabs.peaks (1.25, 7.25, 109.76 ppm; 4.62 A): 4 out of 9 assignments used, quality = 0.76: HB3 LEU 24 + H VAL 26 OK 56 68 - 82 - 3.1/6491=29, 1.8/6496=28...(14) QG2 ILE 80 + H VAL 26 OK 24 76 - 32 - 7403/4.0=8, 7403/4.0=7...(7) QD1 ILE 80 + H VAL 26 OK 15 73 - 20 - 3.2/7391=6, ~8349=3...(5) HG LEU 77 + H VAL 26 OK 14 97 - 15 - 8511/3.6=3, 2.1/7337=2...(5) HG3 LYS 32 - H VAL 26 lone 5 90 - 6 - 5.0/6482=2 HG13 ILE 124 - H VAL 26 lone 5 100 - 5 - QG2 THR 19 - H VAL 26 lone 4 95 - 5 - HG2 LYS 32 - H VAL 26 lone 4 60 - 7 - 5.0/6482=2 QG2 THR 116 - H VAL 26 lone 3 71 - 4 - Peak 6495 from nnoeabs.peaks (1.41, 7.25, 109.76 ppm; 4.73 A): 5 out of 12 assignments used, quality = 0.82: HB2 LEU 27 + H VAL 26 OK 61 89 - 69 - 4.0/1441=23, 1.8/6493=12...(13) HB2 LEU 51 + H VAL 26 OK 23 99 - 23 - 3080/4.0=6, 3080/4.0=6...(6) HB3 LEU 101 + H VAL 26 OK 21 71 - 30 - 3.1/6493=10, 3.1/8744=6...(7) QB ALA 98 + H VAL 26 OK 16 98 - 17 - 7656=4, 2.1/7657=2, 2.9/7658=2 HB VAL 110 + H VAL 26 OK 11 83 - 13 - 2.1/8408=4, 2.1/7862=2...(4) HB3 LEU 91 - H VAL 26 lone 7 92 - 8 - 3.0/6496=1, 8364/6493=1 HB2 LEU 111 - H VAL 26 lone 6 73 - 9 - 876/4.7=2 HG LEU 59 - H VAL 26 lone 6 96 - 6 - 876/4.7=2 QB ALA 122 - H VAL 26 lone 4 100 - 4 - QB ALA 89 - H VAL 26 lone 3 68 - 4 - HD2 LYS 65 - H VAL 26 lone 2 60 - 2 - HD3 LYS 65 - H VAL 26 lone 2 60 - 2 - Peak 6496 from nnoeabs.peaks (1.51, 7.25, 109.76 ppm; 4.16 A): 2 out of 9 assignments used, quality = 0.75: HB2 LEU 24 + H VAL 26 OK 72 99 - 73 - 3.1/6491=23, 4.6/90=15...(14) HB3 LEU 58 + H VAL 26 OK 11 65 - 17 - 8435/6491=4, 85/4.6=2...(7) HG2 ARG 85 - H VAL 26 lone 7 90 - 8 - 85/4.6=2, 4299/3.6=1, 4.1/91=1 HD3 LYS 46 - H VAL 26 lone 7 93 - 8 - 85/4.6=2 HB3 LEU 114 - H VAL 26 lone 5 93 - 5 - 3.1/7956=1 HG LEU 91 - H VAL 26 lone 4 71 - 6 - 3.0/6495=1 HG LEU 93 - H VAL 26 lone 3 78 - 4 - HG3 ARG 92 - H VAL 26 lone 3 99 - 3 - HG2 ARG 92 - H VAL 26 lone 3 100 - 3 - Peak 6497 from nnoeabs.peaks (3.38, 7.25, 109.76 ppm; 4.74 A): 2 out of 4 assignments used, quality = 0.88: HA LEU 21 + H VAL 26 OK 79 100 - 79 - 6559=21, 8215/4.0=18...(15) HA VAL 50 + H VAL 26 OK 44 97 - 46 - 8215/4.0=14, 6508/4.0=9...(12) HB3 PHE 40 - H VAL 26 lone 7 68 - 10 - 6508/4.0=2, 1.8/7686=1 HA2 GLY 86 - H VAL 26 poor 7 60 - 11 - 6515/4.7=3, 8215/4.0=2 Peak 6513 from nnoeabs.peaks (0.23, 6.76, 120.67 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 21 + H LEU 27 OK 81 100 - 81 - 2.1/6398=17, 8240/4.0=16...(17) QD1 LEU 54 + H LEU 27 OK 54 87 - 62 - 8213/4.1=19, 8223/4.1=14...(14) Peak 6514 from nnoeabs.peaks (1.90, 6.76, 120.67 ppm; 4.29 A): 10 out of 17 assignments used, quality = 0.95: HB ILE 22 + H LEU 27 OK 60 96 - 63 - 3.0/6423=24, 3.9/6541=14...(14) HB2 LEU 21 + H LEU 27 OK 35 60 - 58 - 3.1/6513=16, 3.0/6515=14...(12) HB VAL 50 + H LEU 27 OK 32 96 - 34 - 3.0/6515=9, ~6924=8...(8) HB2 GLU 28 + H LEU 27 OK 30 99 - 30 - 2310/4.6=16, 6564/4.4=4...(6) HB2 LEU 58 + H LEU 27 OK 17 71 - 25 - 3.1/877=5, 3.1/877=4...(7) HB2 LEU 84 + H LEU 27 OK 16 99 - 16 - 4239/4.6=3, 4.0/1442=2...(5) HB3 GLU 73 + H LEU 27 OK 13 93 - 14 - 1.8/95=3, 8211/4.1=2...(5) HG LEU 55 + H LEU 27 OK 13 95 - 14 - 6520/4.0=2, 2.1/879=2...(6) HG LEU 84 + H LEU 27 OK 12 98 - 12 - 4253/4.6=4, 5.2/1442=2, ~7483=1 HB3 GLU 28 + H LEU 27 OK 11 65 - 17 - 3.8/98=14, 6520/4.0=1 HB ILE 80 - H LEU 27 poor 10 71 - 14 - 8211/4.1=3, 6519/4.0=2...(5) HB2 ARG 81 - H LEU 27 lone 8 97 - 8 - 8211/4.1=1, 883/4.6=1 HB3 LYS 31 - H LEU 27 lone 8 96 - 8 - 2415/4.6=2, 4.0/1442=1 HB2 LYS 119 - H LEU 27 lone 6 96 - 6 - 8031/4.0=2 HG3 PRO 68 - H LEU 27 lone 3 65 - 5 - HB3 MET 11 - H LEU 27 lone 3 85 - 3 - HB2 ARG 92 - H LEU 27 lone 1 81 - 2 - Peak 6515 from nnoeabs.peaks (3.39, 6.76, 120.67 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.91: HA LEU 21 + H LEU 27 OK 77 99 - 78 - 3.6/6541=19, 4.9/6423=19...(13) HA VAL 50 + H LEU 27 OK 53 100 - 54 - 8215/4.1=14, 3.2/6917=8...(12) HA2 GLY 86 + H LEU 27 OK 19 85 - 22 - 3.6/6541=6, ~1698=4...(8) Peak 6516 from nnoeabs.peaks (3.91, 6.76, 120.67 ppm; 4.63 A): 4 out of 15 assignments used, quality = 0.64: HA2 GLY 25 + H LEU 27 OK 46 78 - 58 - 3.6/1441=25, 3.0/6479=21...(7) HA THR 23 + H LEU 27 OK 17 78 - 21 - 6445/6479=3, 91/4.7=3...(7) HA ARG 53 + H LEU 27 OK 11 71 - 16 - 6505/4.1=10, 8750/4.4=3 HA ARG 85 + H LEU 27 OK 11 85 - 13 - ~1692=3, 6156/6541=2...(6) HA ILE 34 - H LEU 27 lone 10 98 - 10 - 3.0/878=3, 2589/5.3=2, ~2266=2 HB THR 62 - H LEU 27 lone 9 100 - 9 - 3.9/6541=3, 7103/4.4=2 HB3 ASN 79 - H LEU 27 poor 8 60 - 14 - 3.9/6540=4, 3.0/875=3 HB THR 95 - H LEU 27 poor 8 76 - 10 - 3.0/875=2, 6505/4.1=1...(4) HD2 PRO 68 - H LEU 27 lone 3 100 - 3 - HD3 PRO 68 - H LEU 27 lone 3 100 - 3 - HB2 SER 112 - H LEU 27 lone 3 83 - 4 - HA ALA 43 - H LEU 27 lone 3 99 - 3 - HB3 SER 112 - H LEU 27 lone 3 78 - 4 - HA3 GLY 2 - H LEU 27 lone 3 98 - 3 - HA2 GLY 2 - H LEU 27 lone 3 98 - 3 - Peak 6540 from nnoeabs.peaks (7.82, 6.76, 120.67 ppm; 4.04 A): 3 out of 5 assignments used, quality = 0.82: H GLY 25 + H LEU 27 OK 66 100 - 66 - 6479=27, 4.6/1441=15...(10) HD21 ASN 99 + H LEU 27 OK 37 99 - 38 - 90/4.7=5, 7682/4.1=5...(12) H ASN 79 + H LEU 27 OK 15 87 - 18 - 3.0/875=3, 1661/4.6=2...(9) H PHE 83 - H LEU 27 poor 9 68 - 13 - 3.6/875=2, 1486/4.6=2...(6) HD21 ASN 106 - H LEU 27 lone 5 97 - 5 - Peak 6541 from nnoeabs.peaks (8.31, 6.76, 120.67 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.84: H ILE 22 + H LEU 27 OK 76 98 - 78 - 3.0/6423=29, 3.6/6515=15...(14) H CYS 87 + H LEU 27 OK 23 99 - 23 - 6537/4.4=6, 3.6/6515=4...(7) H THR 62 + H LEU 27 OK 12 89 - 14 - 6537/4.4=4, 3.9/6516=2...(4) H GLY 125 - H LEU 27 lone 5 95 - 6 - 6537/4.4=1 Peak 6542 from nnoeabs.peaks (0.59, 8.50, 124.97 ppm; 4.74 A): 3 out of 3 assignments used, quality = 0.73: QD2 LEU 77 + H GLU 28 OK 40 87 - 46 - 4018=8, 7352/3.6=6...(12) QG1 VAL 50 + H GLU 28 OK 36 73 - 50 - 2.1/6543=19, 8241/4.3=6...(13) QG1 VAL 26 + H GLU 28 OK 30 78 - 38 - 4.1/98=16, 6518/4.3=7...(6) Peak 6543 from nnoeabs.peaks (1.14, 8.50, 124.97 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.67: QG2 VAL 50 + H GLU 28 OK 44 99 - 45 - 6924/3.6=12, 2.1/6542=12...(10) QD2 LEU 117 + H GLU 28 OK 26 99 - 26 - 6526/4.8=7, 8014/4.3=4...(9) QG2 VAL 120 + H GLU 28 OK 19 83 - 22 - 8067/3.6=5, 6526/4.8=5...(5) HB3 LEU 54 - H GLU 28 lone 7 95 - 7 - 6526/4.8=3 Peak 6545 from nnoeabs.peaks (7.30, 10.21, 131.78 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.97: HD1 TRP 20 + HE1 TRP 20 OK 97 97 - 100 - 2.6=100 HZ PHE 40 - HE1 TRP 20 lone 7 100 - 6 - 2032/5.3=1, 2042/5.3=1 QD PHE 96 - HE1 TRP 20 lone 5 76 - 7 - Peak 6551 from nnoeabs.peaks (1.44, 10.21, 131.78 ppm; 5.09 A): 2 out of 17 assignments used, quality = 0.98: HG LEU 24 + HE1 TRP 20 OK 97 98 - 99 - 2.1/6387=48, 8201=47...(17) HB3 LEU 45 + HE1 TRP 20 OK 46 98 - 47 - 3.0/8387=9, 4627/2.6=7...(14) HB2 LEU 51 - HE1 TRP 20 OK 18 81 - 22 - 3.0/8388=6, ~6393=4...(8) HB3 GLU 75 - HE1 TRP 20 OK 17 98 - 17 - 5721/5.3=3, ~4653=3...(6) HB3 LEU 101 - HE1 TRP 20 OK 15 100 - 15 - 3.1/6385=2, 4627/2.6=2...(6) HD2 LYS 65 - HE1 TRP 20 OK 13 100 - 13 - 8685/5.0=2, 2.9/6385=2...(7) HD3 LYS 65 - HE1 TRP 20 OK 13 100 - 13 - 8685/5.0=2, 2.9/6385=2...(7) HD2 LYS 46 - HE1 TRP 20 OK 12 89 - 14 - 8583/5.9=3, 4627/2.6=2...(5) HB3 LEU 91 - HE1 TRP 20 lone 9 96 - 9 - 6381/2.6=2, 8026/8386=2, ~4631=2 HB2 LEU 93 - HE1 TRP 20 poor 8 73 - 11 - ~4650=3, ~6557=2...(4) HG3 ARG 57 - HE1 TRP 20 lone 6 68 - 9 - 2233/6387=3, 7039/8202=3 QB ALA 89 - HE1 TRP 20 lone 4 100 - 4 - 7561/5.3=1 HG2 LYS 119 - HE1 TRP 20 lone 4 85 - 5 - ~4628=1 HG3 LYS 31 - HE1 TRP 20 lone 4 78 - 5 - QB ALA 98 - HE1 TRP 20 lone 3 87 - 3 - QB ALA 14 - HE1 TRP 20 lone 2 73 - 3 - QB ALA 122 - HE1 TRP 20 lone 1 63 - 2 - Peak 6569 from nnoeabs.peaks (0.92, 8.61, 118.55 ppm; 3.70 A): 4 out of 11 assignments used, quality = 0.93: QG2 ILE 22 + H SER 29 OK 80 100 - 81 - 6426=28, 3.0/6424=20...(17) QD2 LEU 27 + H SER 29 OK 31 100 - 32 - 4.8/1443=13, 2.1/8729=4...(7) QD1 LEU 27 + H SER 29 OK 31 99 - 32 - 4.8/1443=13, 8729=5...(7) QG2 VAL 115 + H SER 29 OK 25 100 - 25 - 7972/4.8=7, 6573/2.9=4...(9) QD1 LEU 117 - H SER 29 OK 14 97 - 14 - 6573/2.9=2, 6595/4.8=2...(8) QD1 LEU 41 - H SER 29 OK 14 95 - 14 - 8729=3, 2.1/8728=2...(5) QD1 LEU 55 - H SER 29 OK 12 90 - 13 - 6564/4.2=2, 6562/3.6=2...(5) HB2 GLN 42 - H SER 29 OK 11 100 - 11 - 6598/4.8=2, 6595/4.8=2...(4) QD1 LEU 126 - H SER 29 lone 7 97 - 7 - 6573/2.9=1, 6598/4.8=1 QD1 ILE 63 - H SER 29 lone 5 78 - 7 - QG2 VAL 49 - H SER 29 lone 4 100 - 4 - Peak 6570 from nnoeabs.peaks (0.81, 8.61, 118.55 ppm; 4.12 A): 2 out of 8 assignments used, quality = 0.93: QD1 ILE 22 + H SER 29 OK 84 96 - 88 - 6424=35, 6437/2.9=24...(15) HG13 ILE 22 + H SER 29 OK 55 71 - 78 - 2.1/6424=30, 3.2/6426=22...(14) QG1 VAL 115 - H SER 29 OK 23 89 - 26 - 2.1/6569=4, 6574/2.9=4...(9) QD2 LEU 91 - H SER 29 OK 18 100 - 18 - 6596/4.8=5, 6574/2.9=4...(4) QD1 LEU 111 - H SER 29 OK 16 90 - 18 - 6563/3.6=4, 6574/2.9=3...(7) QD1 LEU 93 - H SER 29 OK 11 90 - 12 - 8525/2.9=3, 8526/3.9=1...(4) HB2 ASN 118 - H SER 29 lone 4 98 - 4 - QD1 LEU 59 - H SER 29 lone 3 60 - 5 - 7083/4.8=2 Peak 6610 from nnoeabs.peaks (1.95, 7.41, 116.61 ppm; 3.51 A): 4 out of 15 assignments used, quality = 0.75: HB3 PRO 30 + H LYS 32 OK 63 100 - 63 - 1.8/6611=20, 2.3/6581=11...(16) HB3 LYS 119 + H LYS 32 OK 15 100 - 16 - 1.8/121=4, 2.9/123=2...(6) HB2 ARG 71 + H LYS 32 OK 12 71 - 17 - 1.8/120=4, 3.0/5701=3...(7) HB ILE 80 + H LYS 32 OK 10 68 - 15 - 2.1/906=4, 3.2/906=3...(5) HB2 LYS 109 - H LYS 32 lone 10 97 - 10 - 1.8/121=2 HB3 GLU 69 - H LYS 32 lone 7 100 - 7 - 3.0/6611=2, 3775/6611=1 HB2 GLU 38 - H LYS 32 lone 6 99 - 6 - 4.4/1445=1 HG LEU 58 - H LYS 32 lone 5 90 - 6 - 3370/4.7=1, 3.0/121=1 HB2 ARG 85 - H LYS 32 lone 3 100 - 3 - HB3 ARG 85 - H LYS 32 lone 3 100 - 3 - HG LEU 45 - H LYS 32 lone 2 76 - 3 - HB3 GLU 94 - H LYS 32 lone 1 100 - 1 - HB2 LEU 21 - H LYS 32 lone 1 78 - 1 - HB2 GLU 64 - H LYS 32 lone 1 97 - 1 - HB3 GLU 64 - H LYS 32 lone 1 95 - 1 - Peak 6611 from nnoeabs.peaks (2.14, 7.41, 116.61 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.77: HB2 PRO 30 + H LYS 32 OK 73 99 - 74 - 1.8/6610=19, 6582=17...(18) HG12 ILE 80 + H LYS 32 OK 15 85 - 17 - 2.1/906=5, 3.2/906=4...(6) HB VAL 115 - H LYS 32 lone 9 99 - 9 - 112/4.6=2, 6228/3.6=1 HG2 GLU 69 - H LYS 32 lone 8 100 - 8 - 3.0/6610=2, 112/4.6=2 HB3 GLU 15 - H LYS 32 lone 6 99 - 6 - 3.0/6612=1, 112/4.6=1 Peak 6612 from nnoeabs.peaks (3.87, 7.41, 116.61 ppm; 4.87 A): 4 out of 13 assignments used, quality = 0.94: HA THR 33 + H LYS 32 OK 69 100 - 69 - 2.9/128=19, ~129=19...(10) HB THR 33 + H LYS 32 OK 60 100 - 60 - 6617/2.9=29, 2579/4.6=24...(7) HB3 ASN 79 + H LYS 32 OK 32 85 - 38 - 3.5/1445=6, 4060=6...(11) HA LEU 77 + H LYS 32 OK 29 65 - 44 - 3.0/1651=8, 3.0/120=6...(14) HA GLU 15 - H LYS 32 OK 17 92 - 19 - 8188/4.0=3, 6319/5.0=2...(7) HA3 GLY 104 - H LYS 32 OK 10 98 - 11 - 5849/4.6=3, 3.6/1445=2...(5) HA THR 19 - H LYS 32 poor 10 78 - 13 - 3.2/906=2, 8754/4.0=2...(5) HA ARG 53 - H LYS 32 poor 8 76 - 10 - 6064/4.6=2, 3.0/120=1 HB2 SER 13 - H LYS 32 lone 6 99 - 6 - 4.0/118=1 HB2 SER 35 - H LYS 32 lone 6 99 - 6 - 2575/4.6=2 HB THR 95 - H LYS 32 lone 5 71 - 7 - 2.1/5814=1 HB3 SER 112 - H LYS 32 lone 4 68 - 6 - 3.0/119=1, 4.5/356=1 HB2 SER 112 - H LYS 32 lone 4 63 - 6 - 3.0/119=1, 4.5/356=1 Peak 6661 from nnoeabs.peaks (0.51, 7.88, 119.17 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.81: QG2 ILE 34 + H ASP 36 OK 81 99 - 81 - 6625/2.9=31, 6622=27...(7) Peak 6704 from nnoeabs.peaks (1.46, 8.52, 118.38 ppm; 3.92 A): 6 out of 16 assignments used, quality = 0.90: QB ALA 14 + H GLU 38 OK 61 100 - 61 - 6314=15, 6311/3.0=14...(15) HB3 GLU 75 + H GLU 38 OK 33 97 - 34 - 3.0/6092=5, 6707/3.0=4...(15) HG3 ARG 57 + H GLU 38 OK 32 99 - 33 - 6707/3.0=5, 3.0/2711=4...(16) HB2 LEU 93 + H GLU 38 OK 27 100 - 27 - 5802=4, 6707/3.0=3...(12) HG LEU 24 + H GLU 38 OK 15 97 - 15 - 6707/3.0=2, 2215/4.6=2...(6) HD2 LYS 46 + H GLU 38 OK 10 100 - 10 - 6678/3.9=2, 6680/3.9=1...(4) HG3 LYS 31 - H GLU 38 lone 9 100 - 9 - 6707/3.0=1 HG2 LYS 119 - H GLU 38 lone 9 100 - 9 - 6707/3.0=1 HG2 LYS 109 - H GLU 38 lone 8 85 - 9 - 3.7/151=2, 2.9/928=1 HB3 LEU 101 - H GLU 38 lone 7 78 - 8 - 6707/3.0=2, 6671/3.6=1 HG LEU 91 - H GLU 38 poor 6 63 - 10 - ~6709=2, ~7588=1, ~7587=1 HB3 LEU 45 - H GLU 38 lone 6 97 - 7 - 6707/3.0=1 HD2 LYS 65 - H GLU 38 lone 5 87 - 6 - HD3 LYS 65 - H GLU 38 lone 5 87 - 6 - QB ALA 89 - H GLU 38 lone 5 81 - 6 - 6707/3.0=1 HB3 LEU 58 - H GLU 38 lone 3 68 - 5 - Peak 6705 from nnoeabs.peaks (5.10, 8.52, 118.38 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.58: HA ASP 36 + H GLU 38 OK 58 100 - 58 - 3.8/150=21, 3.8/151=12...(9) Peak 6729 from nnoeabs.peaks (2.86, 8.09, 108.32 ppm; 4.62 A): 8 out of 20 assignments used, quality = 0.93: HB2 ASN 79 + HD22 ASN 79 OK 50 50 - 100 - 3.5=100 HB2 ASN 79 + H GLY 39 OK 34 89 - 39 - 3.9/1154=6, 1.8/4061=5...(15) HB2 TYR 67 + HD22 ASN 79 OK 31 44 - 70 - 3.8/7207=14, 2.6/4816=13...(26) HB3 TYR 67 + HD22 ASN 79 OK 31 44 - 70 - 3.8/7207=14, 2.6/4816=13...(26) HB2 TYR 67 + H GLY 39 OK 20 81 - 24 - 2.6/4816=7, 3.8/7207=4...(6) HB3 TYR 67 + H GLY 39 OK 20 81 - 24 - 2.6/4816=7, 3.8/7207=4...(6) HB2 ASP 36 + H GLY 39 OK 19 85 - 22 - 1.8/8490=11, 6660/4.6=6...(4) HB2 ASN 99 + HD22 ASN 79 OK 16 47 - 34 - 4621/4.4=4, 4058/3.5=4...(14) HG CYS 52 - HD22 ASN 79 poor 9 60 - 15 - 4.6/6058=5, 6897/6911=2...(7) HB3 PHE 107 - HD22 ASN 79 poor 8 51 - 16 - 661/1.7=1, 4058/3.5=1 HB2 ASP 36 - HD22 ASN 79 poor 7 47 - 14 - 1.8/8490=6, ~2648=1...(4) HB3 ASN 12 - H GLY 39 lone 6 73 - 8 - 5438/4.6=2, 4.6/1448=1...(4) HE3 LYS 119 - H GLY 39 lone 5 100 - 5 - HE2 LYS 119 - H GLY 39 lone 5 100 - 5 - HB3 PHE 107 - H GLY 39 lone 5 90 - 5 - 2.4/8146=1 HG CYS 52 - H GLY 39 lone 4 99 - 5 - 4.6/6058=1 HE3 LYS 119 - HD22 ASN 79 lone 4 63 - 6 - HE2 LYS 119 - HD22 ASN 79 lone 4 63 - 6 - HB2 ASN 99 - H GLY 39 lone 3 85 - 4 - HB3 ASN 12 - HD22 ASN 79 lone 1 39 - 3 - Peak 6730 from nnoeabs.peaks (0.91, 8.09, 108.32 ppm; 4.67 A): 8 out of 30 assignments used, quality = 0.92: QG2 VAL 49 + HD22 ASN 79 OK 32 59 - 54 - 6912/1.7=16, 2.1/8406=13...(13) HB2 GLN 42 + H GLY 39 OK 31 99 - 31 - 6013/2.9=10, ~6014=6...(7) QD1 LEU 41 + H GLY 39 OK 29 81 - 37 - 4.3/1585=11, 6708/3.6=5...(11) QD2 LEU 41 + H GLY 39 OK 27 78 - 34 - 4.3/1585=11, 6708/3.6=5...(9) QD2 LEU 27 + H GLY 39 OK 25 96 - 26 - 6708/3.6=4, 5504/4.6=3...(10) QG2 VAL 49 + H GLY 39 OK 24 98 - 25 - 2.1/8406=7, 3.2/6911=4...(5) QG2 ILE 22 + H GLY 39 OK 24 95 - 25 - 6428=5, 3.2/5995=3...(7) QD1 LEU 27 + H GLY 39 OK 21 92 - 23 - 6708/3.6=3, 4.8/1448=3...(9) QG1 VAL 49 - HD22 ASN 79 OK 17 31 - 54 - 3.2/6911=13, ~6912=11...(14) QD1 LEU 55 - H GLY 39 OK 15 73 - 20 - 2.1/3254=2, 3.1/3226=2...(9) QG2 ILE 22 - HD22 ASN 79 OK 15 55 - 27 - 6428=6, 7381/1.7=4...(7) QG2 VAL 115 - HD22 ASN 79 OK 14 55 - 26 - 7381/1.7=5, 7973/3.5=4...(8) QG2 VAL 115 - H GLY 39 OK 14 95 - 15 - 7972/3.6=3, 6012/2.9=2 QD1 LEU 117 - H GLY 39 OK 14 100 - 14 - 6708/3.6=2, 6712/4.9=1...(4) QG1 VAL 49 - H GLY 39 OK 14 60 - 23 - 8406=5, 3.2/6911=4...(8) QD1 LEU 55 - HD22 ASN 79 OK 14 39 - 35 - 6912/1.7=7, 2.1/3254=5...(8) QD1 ILE 63 - H GLY 39 OK 13 57 - 22 - 7127=4, 6708/3.6=2...(9) QD2 LEU 27 - HD22 ASN 79 OK 11 56 - 20 - 7381/1.7=3, 2298/4.4=2...(5) QD1 LEU 117 - HD22 ASN 79 poor 10 63 - 16 - 7381/1.7=3, 3043/6911=1...(4) QD1 LEU 27 - HD22 ASN 79 poor 9 53 - 17 - 7381/1.7=3, ~7381=2...(5) QD1 ILE 63 - HD22 ASN 79 poor 8 29 - 28 - 7127=6, 7381/1.7=3...(8) QD1 LEU 41 - HD22 ASN 79 poor 7 44 - 15 - 4.3/1585=3, 7381/1.7=2 HB2 GLN 42 - HD22 ASN 79 poor 6 61 - 10 - 7381/1.7=2, 7372/5.6=1 QD2 LEU 41 - HD22 ASN 79 poor 6 42 - 14 - 4.3/1585=3, 7372/5.6=2...(5) QD1 LEU 126 - H GLY 39 lone 4 100 - 4 - QD1 LEU 126 - HD22 ASN 79 lone 3 63 - 5 - QD1 ILE 124 - H GLY 39 lone 3 73 - 4 - QD1 ILE 124 - HD22 ASN 79 lone 3 39 - 7 - 8119/4.4=1, 7372/5.6=1 QD2 LEU 59 - H GLY 39 lone 2 60 - 3 - QD2 LEU 59 - HD22 ASN 79 lone 1 31 - 3 - Peak 6731 from nnoeabs.peaks (1.47, 8.09, 108.32 ppm; 5.26 A): 9 out of 30 assignments used, quality = 0.91: QB ALA 14 + H GLY 39 OK 50 99 - 51 - 6311/3.6=18, 6314/4.6=12...(7) HG3 ARG 57 + H GLY 39 OK 26 99 - 26 - 6707/3.6=5, 6704/4.6=4...(7) HB3 GLU 75 + H GLY 39 OK 26 76 - 34 - 3.0/6093=5, 6707/3.6=4...(12) HG LEU 24 + H GLY 39 OK 24 76 - 31 - 2.1/2229=6, 2.1/2222=5...(8) HB3 GLU 75 + HD22 ASN 79 OK 21 41 - 53 - ~3954=7, ~3948=7...(17) HB2 LEU 93 + H GLY 39 OK 18 99 - 18 - 5802/4.6=4, 6707/3.6=3...(6) HG2 LYS 119 + H GLY 39 OK 12 95 - 13 - 2.9/154=1, 6707/3.6=1 HG3 LYS 31 + H GLY 39 OK 11 97 - 11 - 4.7/1448=2, 6704/4.6=1 HG LEU 93 + H GLY 39 OK 11 85 - 12 - 5804/4.6=2, 7586/3.6=2...(4) HB3 LEU 58 - H GLY 39 lone 8 93 - 8 - 8435/2229=1, 3.0/154=1 HG2 ARG 85 - H GLY 39 poor 7 71 - 10 - 3.0/154=2, 3.0/154=2, ~6014=1 HD2 LYS 46 - H GLY 39 lone 7 92 - 8 - 6704/4.6=1, 6707/3.6=1 HG LEU 24 - HD22 ASN 79 poor 7 41 - 17 - 2.1/2229=3, 2.1/2222=3...(6) HG LEU 91 - H GLY 39 lone 6 90 - 7 - 7586/3.6=1, 5804/4.6=1 HG3 ARG 57 - HD22 ASN 79 poor 6 61 - 10 - 5.1/1638=3, 3.0/5550=1 HG3 LYS 31 - HD22 ASN 79 poor 6 58 - 11 - ~5520=2, ~5519=2, 4.7/1448=1 HG2 LYS 109 - H GLY 39 lone 6 99 - 6 - HB3 LEU 114 - H GLY 39 lone 6 65 - 9 - HB3 LEU 45 - H GLY 39 lone 5 76 - 6 - 6707/3.6=1 QB ALA 14 - HD22 ASN 79 lone 4 60 - 7 - HG2 LYS 119 - HD22 ASN 79 lone 4 55 - 8 - HB2 LEU 93 - HD22 ASN 79 lone 4 60 - 6 - HB3 LEU 58 - HD22 ASN 79 lone 4 54 - 7 - HD2 LYS 46 - HD22 ASN 79 lone 2 53 - 4 - HB3 LEU 114 - HD22 ASN 79 lone 2 34 - 6 - HG LEU 93 - HD22 ASN 79 lone 2 47 - 4 - HG2 LYS 109 - HD22 ASN 79 lone 2 61 - 3 - HG LEU 91 - HD22 ASN 79 lone 2 51 - 3 - HG2 ARG 85 - HD22 ASN 79 lone 1 37 - 4 - HB3 LEU 45 - HD22 ASN 79 lone 1 41 - 3 - Peak 6736 from nnoeabs.peaks (0.50, 8.49, 123.07 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.78: QG2 ILE 34 + H PHE 40 OK 78 100 - 78 - 6735/3.0=24, 6740/4.0=22...(13) Peak 6737 from nnoeabs.peaks (1.66, 8.49, 123.07 ppm; 5.00 A): 3 out of 8 assignments used, quality = 0.94: HB ILE 34 + H PHE 40 OK 73 97 - 75 - 2.1/6736=47, ~6735=25...(9) HB3 LEU 41 + H PHE 40 OK 62 100 - 62 - 4.1/1449=22, 4.2/1582=18...(12) HG LEU 27 + H PHE 40 OK 44 100 - 44 - 5502=7, 2.1/5504=6...(14) HB3 GLN 42 - H PHE 40 OK 31 81 - 39 - 4.0/1582=18, 6014/3.6=7...(5) HG3 ARG 85 - H PHE 40 OK 30 96 - 32 - 3.0/938=5, 5.0/1696=4...(11) HB3 LYS 32 - H PHE 40 OK 19 87 - 22 - 4.7/158=3, 4667/4.5=2...(9) HG3 GLN 42 - H PHE 40 OK 15 63 - 24 - 5.2/1582=15, 945/4.6=3 HG LEU 51 - H PHE 40 OK 13 76 - 17 - 4667/4.5=4, 2603/6736=3...(4) Peak 6738 from nnoeabs.peaks (1.97, 8.49, 123.07 ppm; 4.99 A): 7 out of 17 assignments used, quality = 0.89: HB2 LEU 41 + H PHE 40 OK 53 92 - 58 - 4.1/1449=22, 4.2/1582=18...(10) HB2 GLU 38 + H PHE 40 OK 31 68 - 46 - 4.4/158=16, 3.0/1579=16...(6) HB3 PRO 30 + H PHE 40 OK 29 83 - 36 - 3.0/1579=8, 1.8/5513=6...(9) HB3 ARG 85 + H PHE 40 OK 18 83 - 22 - 4.7/1696=5, 3.9/938=4...(7) HB2 ARG 85 + H PHE 40 OK 18 83 - 22 - 4.7/1696=5, 3.9/938=4...(7) HB3 GLN 103 + H PHE 40 OK 16 92 - 18 - 4.4/7780=6, 4.0/506=6, ~6188=2 HG2 PRO 60 + H PHE 40 OK 12 71 - 17 - 2.3/938=6, ~2738=4...(4) HG LEU 45 - H PHE 40 lone 10 100 - 10 - 944/4.6=3, 170/1582=1 HB3 GLU 94 - H PHE 40 lone 9 93 - 9 - 4.0/1449=3, 4524/4.6=2 HB ILE 124 - H PHE 40 lone 8 92 - 9 - 944/4.6=3, 3.0/1581=1 HG LEU 114 - H PHE 40 lone 7 96 - 7 - 7944/3.6=1 HB2 ARG 71 - H PHE 40 lone 7 99 - 7 - HB2 MET 11 - H PHE 40 lone 6 87 - 7 - HG2 PRO 68 - H PHE 40 lone 6 96 - 6 - HB3 PRO 68 - H PHE 40 lone 5 92 - 6 - 1.8/6739=1 HB3 LYS 119 - H PHE 40 lone 5 73 - 7 - HB3 GLU 69 - H PHE 40 lone 5 73 - 6 - 4.8/159=3 Peak 6739 from nnoeabs.peaks (2.22, 8.49, 123.07 ppm; 5.02 A): 7 out of 14 assignments used, quality = 0.89: HB3 PRO 37 + H PHE 40 OK 40 99 - 41 - 2.3/5997=17...(6) HG2 GLU 38 + H PHE 40 OK 35 89 - 39 - 4.9/158=15, 4.0/1579=13...(6) HG3 GLU 38 + H PHE 40 OK 34 87 - 39 - 4.9/158=15, 4.0/1579=13...(6) HG2 PRO 37 + H PHE 40 OK 25 81 - 30 - 3.8/5997=13...(6) HG2 GLU 28 + H PHE 40 OK 18 99 - 18 - 4.0/2304=4, 3.0/2310=3...(6) HG3 GLU 28 + H PHE 40 OK 18 98 - 18 - 4.0/2304=4, 3.0/2310=3...(6) HB2 PRO 70 + H PHE 40 OK 15 81 - 19 - 3815/3.6=5, 3.0/159=4...(4) HG2 GLU 94 - H PHE 40 lone 8 90 - 8 - 4.9/1449=2, 3.0/6738=1 HB2 PRO 68 - H PHE 40 lone 6 97 - 6 - HB VAL 26 - H PHE 40 lone 6 63 - 9 - 4.4/1442=3, 6681/6736=2 HB3 LEU 117 - H PHE 40 lone 5 97 - 5 - HG3 GLU 64 - H PHE 40 lone 5 93 - 5 - HG2 GLU 56 - H PHE 40 lone 3 76 - 4 - HG3 GLU 15 - H PHE 40 lone 2 63 - 3 - Peak 6758 from nnoeabs.peaks (6.77, 8.54, 122.77 ppm; 4.84 A): 6 out of 7 assignments used, quality = 0.93: HZ PHE 107 + H LEU 41 OK 58 90 - 64 - 4769/4.6=15, 4774/5.2=13...(10) HE21 GLN 42 + H LEU 41 OK 50 99 - 51 - 6.5/1450=12, 6761/3.0=7...(11) H LEU 27 + H LEU 41 OK 48 95 - 51 - 6763/4.1=8, 6761/3.0=6...(14) QE TYR 67 + H LEU 41 OK 15 87 - 17 - ~8259=3, 6761/3.0=2...(6) HD22 ASN 99 + H LEU 41 OK 14 99 - 14 - 6761/3.0=2, 6763/4.1=2...(6) H VAL 110 + H LEU 41 OK 13 85 - 15 - 1747/4.6=4, 4.7/1588=3...(4) HH2 TRP 20 - H LEU 41 lone 3 76 - 4 - Peak 6770 from nnoeabs.peaks (6.98, 8.05, 119.04 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.96: QE PHE 107 + H GLN 42 OK 93 100 - 93 - 4767=29, 6771/3.0=22...(22) H LEU 101 + H GLN 42 OK 41 93 - 44 - 6771/3.0=8, 6773/4.0=6...(15) HD22 ASN 108 - H GLN 42 OK 29 97 - 30 - 6771/3.0=4, 6762/4.2=4...(12) HD22 ASN 12 - H GLN 42 lone 2 65 - 4 - Peak 6781 from nnoeabs.peaks (7.21, 6.76, 108.88 ppm; 4.99 A): 5 out of 5 assignments used, quality = 0.81: QD PHE 107 + HE21 GLN 42 OK 45 73 - 62 - 6780/3.5=13, 2.2/4852=11...(13) QD TYR 67 + HE21 GLN 42 OK 32 96 - 33 - 6780/3.5=6, 6774/4.4=5...(8) H LYS 65 + HE21 GLN 42 OK 23 100 - 23 - 6772/5.5=2, 6780/3.5=2...(10) QE PHE 40 + HE21 GLN 42 OK 19 99 - 19 - 6780/3.5=3, 6772/5.5=2...(7) QD TYR 102 + HE21 GLN 42 OK 19 97 - 19 - 7777/7778=2, 4820/6790=2...(6) Peak 6782 from nnoeabs.peaks (7.50, 6.76, 108.88 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.94: H ALA 43 + HE21 GLN 42 OK 78 100 - 78 - 180/3.5=25, 5568/4.4=17...(12) H GLY 104 + HE21 GLN 42 OK 55 71 - 78 - 7779/1.7=28, 3.0/8390=26...(12) H LYS 109 + HE21 GLN 42 OK 38 76 - 50 - 6783/1.7=8, 5571/3.5=7...(18) Peak 6783 from nnoeabs.peaks (7.50, 6.62, 108.88 ppm; 5.10 A): 3 out of 3 assignments used, quality = 0.93: H ALA 43 + HE22 GLN 42 OK 75 100 - 75 - 180/3.5=26, 6782/1.7=19...(13) H GLY 104 + HE22 GLN 42 OK 59 71 - 83 - 7779=34, ~8390=20...(14) H LYS 109 + HE22 GLN 42 OK 35 76 - 47 - 6782/1.7=9, 5571/3.5=7...(13) Peak 6784 from nnoeabs.peaks (1.34, 8.05, 119.04 ppm; 4.40 A): 4 out of 9 assignments used, quality = 0.96: QB ALA 43 + H GLN 42 OK 77 99 - 78 - 6817=31, 2.9/175=27...(14) HG2 LYS 46 + H GLN 42 OK 44 96 - 46 - 3.9/169=7, 2.9/2843=7...(17) HG3 LYS 46 + H GLN 42 OK 44 96 - 46 - 3.9/169=7, 2.9/2843=7...(17) QG2 THR 17 + H GLN 42 OK 40 96 - 42 - 2.1/1589=8, 8462/3.0=7...(12) HB3 LEU 59 - H GLN 42 OK 11 100 - 11 - 3409/4.9=2, 3.2/173=1 HG3 LYS 119 - H GLN 42 lone 6 81 - 7 - QG2 THR 23 - H GLN 42 lone 3 73 - 4 - HG2 LYS 31 - H GLN 42 lone 3 63 - 4 - HG CYS 87 - H GLN 42 lone 3 63 - 4 - 4.6/1593=2 Peak 6789 from nnoeabs.peaks (0.99, 6.76, 108.88 ppm; 4.56 A): 5 out of 8 assignments used, quality = 0.93: QD1 LEU 101 + HE21 GLN 42 OK 69 100 - 69 - 7723/1.7=40, 7722=13...(11) HB3 LEU 27 + HE21 GLN 42 OK 50 87 - 58 - 2276=10, 6801/3.5=8...(13) QD2 LEU 58 + HE21 GLN 42 OK 22 100 - 22 - 6792/1.7=3, 7048=3...(9) QG1 VAL 18 + HE21 GLN 42 OK 22 100 - 22 - 2.1/8394=4, 6792/1.7=3...(7) HG3 LYS 65 + HE21 GLN 42 OK 21 99 - 22 - 6792/1.7=3, 4.9/6781=3...(9) HG2 LYS 65 - HE21 GLN 42 OK 21 99 - 22 - 6792/1.7=3, 4.9/6781=3...(9) QD1 LEU 58 - HE21 GLN 42 OK 20 95 - 21 - 6792/1.7=3, ~6792=2...(8) QG2 THR 95 - HE21 GLN 42 lone 6 93 - 6 - ~6796=1, 2.1/6798=1, 6792/1.7=1 Peak 6790 from nnoeabs.peaks (1.34, 6.76, 108.88 ppm; 4.85 A): 3 out of 9 assignments used, quality = 0.97: HG2 LYS 46 + HE21 GLN 42 OK 75 99 - 76 - ~8624=23, ~8625=22...(15) HG3 LYS 46 + HE21 GLN 42 OK 75 99 - 76 - ~8624=23, ~8625=22...(15) QB ALA 43 + HE21 GLN 42 OK 53 100 - 53 - 2.9/6782=15, 6817/6.5=11...(7) QG2 THR 17 - HE21 GLN 42 OK 24 99 - 24 - 8462/5.5=5, 6335/4.4=3...(6) HG3 LYS 119 - HE21 GLN 42 lone 8 92 - 8 - 6793/1.7=1, 1.8/6791=1, ~6794=1 HB3 LEU 59 - HE21 GLN 42 lone 7 97 - 7 - QG2 THR 23 - HE21 GLN 42 lone 5 87 - 6 - HB3 LEU 84 - HE21 GLN 42 lone 3 71 - 4 - HG CYS 87 - HE21 GLN 42 lone 2 78 - 2 - Peak 6791 from nnoeabs.peaks (1.47, 6.76, 108.88 ppm; 4.89 A): 4 out of 17 assignments used, quality = 0.91: HD2 LYS 46 + HE21 GLN 42 OK 77 99 - 78 - 8624/1.7=37, ~8625=27...(12) HB3 LEU 101 + HE21 GLN 42 OK 32 65 - 49 - ~7723=26, 3.1/7722=11...(7) HG2 LYS 109 + HE21 GLN 42 OK 28 93 - 30 - 6794/1.7=5, 4.7/6782=5...(10) HB3 LEU 45 + HE21 GLN 42 OK 21 90 - 23 - 6033/5.5=4, 1.8/739=3...(7) QB ALA 14 - HE21 GLN 42 OK 17 100 - 17 - 6304/4.4=2, 6794/1.7=2...(6) HD2 LYS 65 - HE21 GLN 42 OK 16 76 - 21 - 5.5/6781=3, 2.9/6789=3...(8) HD3 LYS 65 - HE21 GLN 42 OK 16 76 - 21 - 5.5/6781=3, 2.9/6789=3...(8) HB3 GLU 75 - HE21 GLN 42 OK 13 90 - 14 - 3.0/8553=2, 6794/1.7=2...(6) HB3 LEU 58 - HE21 GLN 42 OK 12 81 - 14 - 3.1/6789=3, 3.1/6789=3...(4) HG LEU 24 - HE21 GLN 42 poor 9 90 - 10 - 2.1/6477=3, 6794/1.7=1 HG2 LYS 119 - HE21 GLN 42 lone 9 99 - 9 - 6794/1.7=2, 1.8/6790=1, ~6793=1 HB2 LEU 93 - HE21 GLN 42 lone 7 100 - 7 - HG3 LYS 31 - HE21 GLN 42 lone 6 100 - 6 - HG3 ARG 57 - HE21 GLN 42 lone 6 100 - 6 - HG LEU 91 - HE21 GLN 42 lone 3 76 - 5 - HG LEU 93 - HE21 GLN 42 lone 3 68 - 5 - QB ALA 89 - HE21 GLN 42 lone 2 68 - 3 - Peak 6792 from nnoeabs.peaks (0.99, 6.62, 108.88 ppm; 4.57 A): 7 out of 8 assignments used, quality = 0.93: QD1 LEU 101 + HE22 GLN 42 OK 71 100 - 71 - 7723=48, 7722/1.7=13...(10) HB3 LEU 27 + HE22 GLN 42 OK 42 87 - 49 - 6789/1.7=9, 6801/3.5=8...(14) HG2 LYS 65 + HE22 GLN 42 OK 17 99 - 18 - 6789/1.7=4, ~6789=3...(8) HG3 LYS 65 + HE22 GLN 42 OK 17 99 - 18 - 6789/1.7=4, ~6789=3...(8) QD2 LEU 58 + HE22 GLN 42 OK 17 100 - 17 - 6789/1.7=4, ~6789=2...(7) QD1 LEU 58 + HE22 GLN 42 OK 16 95 - 17 - 6789/1.7=3, ~6789=3...(7) QG1 VAL 18 + HE22 GLN 42 OK 16 100 - 16 - 6789/1.7=4, ~8394=3...(6) QG2 THR 95 - HE22 GLN 42 lone 5 93 - 5 - 2.1/6796=2, 6789/1.7=1 Peak 6793 from nnoeabs.peaks (1.33, 6.62, 108.88 ppm; 4.93 A): 3 out of 9 assignments used, quality = 0.98: HG2 LYS 46 + HE22 GLN 42 OK 78 100 - 78 - 2.9/8624=32, 2.9/8625=30...(13) HG3 LYS 46 + HE22 GLN 42 OK 78 100 - 78 - 2.9/8624=32, 2.9/8625=30...(13) QB ALA 43 + HE22 GLN 42 OK 54 100 - 55 - 2.9/6783=14, 6817/6.5=11...(10) QG2 THR 17 - HE22 GLN 42 OK 19 100 - 19 - 8462/5.5=6, 6790/1.7=4...(4) HG3 LYS 119 - HE22 GLN 42 lone 10 98 - 10 - 2974/8624=2, 1.8/6794=2...(4) HB3 LEU 59 - HE22 GLN 42 lone 5 89 - 6 - 6790/1.7=1 QG2 THR 23 - HE22 GLN 42 lone 4 96 - 4 - HB3 LEU 84 - HE22 GLN 42 lone 2 85 - 3 - HG CYS 87 - HE22 GLN 42 lone 2 90 - 2 - Peak 6794 from nnoeabs.peaks (1.47, 6.62, 108.88 ppm; 4.75 A): 7 out of 17 assignments used, quality = 0.91: HD2 LYS 46 + HE22 GLN 42 OK 76 93 - 81 - 8624=37, 1.8/8625=32...(13) HG2 LYS 109 + HE22 GLN 42 OK 27 99 - 28 - 4.7/6783=5, 6791/1.7=4...(10) HB3 LEU 45 + HE22 GLN 42 OK 17 78 - 22 - 1.8/747=4, 6840/7723=4...(8) HB3 LEU 58 + HE22 GLN 42 OK 12 92 - 13 - 3.1/6792=3, 3.1/6792=3...(5) HD3 LYS 65 + HE22 GLN 42 OK 11 60 - 18 - 2.9/6792=3, 2.9/6792=3...(8) HD2 LYS 65 + HE22 GLN 42 OK 11 60 - 18 - 2.9/6792=3, 2.9/6792=3...(8) QB ALA 14 + HE22 GLN 42 OK 10 99 - 11 - 6791/1.7=2, 6304/4.4=2 HB3 GLU 75 - HE22 GLN 42 poor 8 78 - 11 - 6791/1.7=2, ~8330=2...(5) HG2 LYS 119 - HE22 GLN 42 lone 8 96 - 9 - 1.8/6793=1, 2985/8625=1 HG LEU 24 - HE22 GLN 42 lone 5 78 - 7 - ~6477=2, 6791/1.7=1 HB2 LEU 93 - HE22 GLN 42 lone 5 99 - 5 - 7610/7723=1 HG3 LYS 31 - HE22 GLN 42 lone 4 98 - 4 - HG LEU 91 - HE22 GLN 42 lone 4 89 - 4 - 7601/7723=2 HB3 LEU 114 - HE22 GLN 42 lone 4 63 - 6 - ~7950=1 HG LEU 93 - HE22 GLN 42 lone 3 83 - 4 - HG3 ARG 57 - HE22 GLN 42 lone 3 100 - 3 - HG2 ARG 85 - HE22 GLN 42 lone 2 68 - 3 - Peak 6795 from nnoeabs.peaks (2.01, 6.62, 108.88 ppm; 5.33 A): 4 out of 12 assignments used, quality = 0.92: HB2 LYS 46 + HE22 GLN 42 OK 79 97 - 81 - 3.5/8624=34, 3.5/8625=32...(12) HB2 LEU 41 + HE22 GLN 42 OK 44 71 - 63 - 1.8/748=11, ~6763=9...(18) HB3 GLN 103 + HE22 GLN 42 OK 25 71 - 35 - 4.4/7779=28, 2971/8624=2 HB3 ARG 53 + HE22 GLN 42 OK 12 92 - 13 - 3.0/6796=4, ~6798=2...(4) HB2 LEU 55 - HE22 GLN 42 lone 7 99 - 7 - HG LEU 114 - HE22 GLN 42 lone 6 63 - 9 - ~7950=2, 2971/8624=1 HB ILE 124 - HE22 GLN 42 lone 5 71 - 7 - 7704/7723=1 HB3 PRO 68 - HE22 GLN 42 lone 5 71 - 7 - 2971/8624=1, 2981/8625=1 HB2 MET 11 - HE22 GLN 42 lone 4 78 - 5 - HG2 PRO 68 - HE22 GLN 42 lone 4 63 - 6 - 2971/8624=1, 2981/8625=1 HB2 GLU 94 - HE22 GLN 42 lone 3 97 - 3 - HG2 PRO 60 - HE22 GLN 42 lone 3 92 - 3 - Peak 6796 from nnoeabs.peaks (3.88, 6.62, 108.88 ppm; 5.26 A): 4 out of 14 assignments used, quality = 0.69: HA3 GLY 104 + HE22 GLN 42 OK 51 65 - 78 - 3.0/7779=35, ~8390=26...(8) HA ARG 53 + HE22 GLN 42 OK 15 100 - 15 - 6799/3.5=4, 6798/1.7=3...(5) HB3 SER 112 + HE22 GLN 42 OK 13 99 - 14 - 6799/3.5=5, 6798/1.7=3...(4) HB2 SER 112 + HE22 GLN 42 OK 13 97 - 14 - 6799/3.5=5, ~6798=3...(4) HB THR 95 - HE22 GLN 42 lone 7 99 - 7 - 4549/7723=2, 2.1/6792=1...(4) HA THR 33 - HE22 GLN 42 lone 7 78 - 8 - 6798/1.7=2, 6799/3.5=2, ~6798=1 HB2 SER 13 - HE22 GLN 42 lone 7 96 - 7 - 6798/1.7=2, 6799/3.5=2 HB THR 33 - HE22 GLN 42 lone 6 81 - 7 - 6798/1.7=2, ~6798=2, 6799/3.5=2 HA ILE 34 - HE22 GLN 42 lone 5 81 - 6 - 6799/3.5=2, 2589/4.4=1 HB3 ASN 79 - HE22 GLN 42 lone 4 100 - 4 - 6799/3.5=1 HD2 PRO 68 - HE22 GLN 42 lone 3 57 - 6 - 6867/8625=1 HB2 SER 35 - HE22 GLN 42 lone 3 68 - 4 - HA2 GLY 2 - HE22 GLN 42 lone 2 81 - 2 - HA3 GLY 2 - HE22 GLN 42 lone 2 81 - 2 - Peak 6797 from nnoeabs.peaks (3.72, 6.76, 108.88 ppm; 5.42 A): 2 out of 7 assignments used, quality = 0.82: HA2 GLY 104 + HE21 GLN 42 OK 80 100 - 81 - 8390=42, ~7779=29...(7) HB2 TRP 20 + HE21 GLN 42 OK 11 93 - 11 - 2031/5.5=3, 1.8/736=3 HD3 PRO 30 - HE21 GLN 42 poor 9 60 - 16 - 6598/4.4=3, 2.3/6592=3...(6) HA3 GLY 86 - HE21 GLN 42 lone 4 100 - 4 - HA LEU 54 - HE21 GLN 42 lone 3 63 - 5 - HB3 SER 90 - HE21 GLN 42 lone 2 93 - 2 - HA GLU 73 - HE21 GLN 42 lone 2 73 - 3 - Peak 6798 from nnoeabs.peaks (3.87, 6.76, 108.88 ppm; 5.27 A): 5 out of 13 assignments used, quality = 0.83: HA3 GLY 104 + HE21 GLN 42 OK 71 97 - 73 - 1.8/8390=34, ~7779=27...(7) HB3 SER 112 + HE21 GLN 42 OK 14 73 - 19 - 6799/3.5=5, 3.9/1754=5...(5) HA ARG 53 + HE21 GLN 42 OK 13 81 - 16 - 6799/3.5=4, 6796/1.7=4...(5) HB2 SER 112 + HE21 GLN 42 OK 13 68 - 18 - 3.9/1754=5, 6799/3.5=5...(5) HA THR 33 + HE21 GLN 42 OK 10 99 - 10 - 6799/3.5=2, 6796/1.7=2...(4) HB2 SER 13 - HE21 GLN 42 lone 9 100 - 9 - 6799/3.5=2, 6796/1.7=2 HB THR 33 - HE21 GLN 42 lone 8 100 - 8 - 6796/1.7=1, 6799/3.5=1...(4) HA LEU 77 - HE21 GLN 42 poor 6 60 - 10 - 3.0/740=2, ~748=2...(4) HA GLU 15 - HE21 GLN 42 lone 6 89 - 7 - 6319/8394=1 HB THR 95 - HE21 GLN 42 lone 6 76 - 8 - 6796/1.7=2, 2.1/6789=1 HB2 SER 35 - HE21 GLN 42 lone 5 97 - 5 - HB3 ASN 79 - HE21 GLN 42 lone 5 89 - 5 - 6799/3.5=1 HA THR 19 - HE21 GLN 42 lone 3 73 - 4 - Peak 6802 from nnoeabs.peaks (3.50, 7.50, 118.06 ppm; 5.00 A): 3 out of 5 assignments used, quality = 0.71: HB3 SER 44 + H ALA 43 OK 56 98 - 57 - 4.0/183=32, 4.6/1600=14...(7) HB2 PHE 83 + H ALA 43 OK 20 97 - 21 - 1.8/176=5, ~6813=5...(5) HA LEU 84 + H ALA 43 OK 18 99 - 18 - 963/4.6=4, 4.8/958=2...(6) HA VAL 18 - H ALA 43 poor 9 65 - 14 - 963/4.6=3, ~45=2...(4) HB2 PHE 96 - H ALA 43 lone 7 98 - 7 - 7846/4890=1, 7847/4900=1 Peak 6818 from nnoeabs.peaks (6.91, 7.95, 112.45 ppm; 4.66 A): 3 out of 4 assignments used, quality = 0.76: H LYS 46 + H SER 44 OK 68 89 - 76 - 4.5/1453=19, 6819/2.9=17...(15) HZ3 TRP 20 + H SER 44 OK 16 81 - 19 - 6819/2.9=4, 6814/3.6=4...(5) HE22 GLN 103 + H SER 44 OK 13 87 - 15 - 6819/2.9=4, 6814/3.6=3...(6) HD22 ASN 106 - H SER 44 lone 3 73 - 4 - 1.7/1453=2 Peak 6820 from nnoeabs.peaks (3.27, 7.95, 112.45 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.58: HA VAL 49 + H SER 44 OK 58 99 - 59 - 6836/2.9=27, 6833/4.0=20...(7) Peak 6821 from nnoeabs.peaks (1.98, 7.95, 112.45 ppm; 4.45 A): 4 out of 14 assignments used, quality = 0.92: HB2 LYS 46 + H SER 44 OK 61 85 - 72 - 4.0/6818=17, 3.0/1603=14...(18) HB2 LEU 41 + H SER 44 OK 61 100 - 61 - 3.0/6023=20, 4.2/1602=17...(13) HG LEU 45 + H SER 44 OK 34 99 - 35 - 5.2/1453=14, ~6828=7...(8) HB ILE 124 + H SER 44 OK 22 100 - 22 - 5341/4.6=7, 4.0/1453=6...(4) HB3 GLN 103 - H SER 44 OK 15 100 - 15 - 4.6/6818=3, 5845/4.6=2...(5) HG LEU 114 - H SER 44 OK 15 100 - 15 - 6808/3.6=2, 2.1/5084=1...(6) HB2 ARG 71 - H SER 44 OK 14 100 - 14 - 3.6/1601=3, 968/4.6=2...(5) HB3 PRO 68 - H SER 44 OK 14 100 - 14 - 3.0/184=2, 3.0/184=2...(4) HG2 PRO 68 - H SER 44 OK 13 100 - 13 - 2.3/184=3, 2.3/184=3...(4) HB2 LEU 55 - H SER 44 OK 12 78 - 15 - 3.0/961=2, 3.1/6824=1...(5) HB2 MET 11 - H SER 44 lone 7 99 - 7 - HG2 PRO 60 - H SER 44 lone 4 93 - 4 - HB2 GLU 94 - H SER 44 lone 2 85 - 3 - HB3 GLU 94 - H SER 44 lone 1 71 - 2 - Peak 6822 from nnoeabs.peaks (1.76, 7.95, 112.45 ppm; 4.60 A): 3 out of 16 assignments used, quality = 0.95: HB3 LYS 46 + H SER 44 OK 73 97 - 76 - 4.0/6818=18, 3.0/1603=15...(19) HG2 GLN 42 + H SER 44 OK 60 100 - 60 - 5.2/1602=15, 3.9/1601=13...(12) HB2 LEU 45 + H SER 44 OK 51 98 - 52 - 4.0/1453=21, 4.3/6818=17...(10) HD2 LYS 109 - H SER 44 OK 24 100 - 24 - 6804/3.6=3, 4940/4.6=3...(10) HD3 LYS 109 - H SER 44 OK 24 100 - 24 - 6804/3.6=3, 4940/4.6=3...(10) HB VAL 66 - H SER 44 OK 18 92 - 19 - 2.1/3670=4, 2.1/3675=4...(6) HG3 ARG 71 - H SER 44 OK 16 99 - 16 - 3.0/1601=4, 966/4.6=2...(7) HB2 PRO 37 - H SER 44 OK 14 73 - 20 - 3.0/962=3, 3.0/961=3...(10) HG2 ARG 71 - H SER 44 OK 13 85 - 16 - 3.0/1601=4, 966/4.6=2...(7) HG LEU 117 - H SER 44 lone 9 100 - 9 - 2.1/6824=1 HB2 LEU 117 - H SER 44 lone 7 97 - 7 - 3.1/6824=1 HG3 PRO 30 - H SER 44 lone 7 100 - 7 - HB2 LEU 91 - H SER 44 poor 7 63 - 10 - 1.8/5790=1, 5789=1, 3.1/5792=1 HB2 ARG 53 - H SER 44 lone 5 81 - 6 - HB2 GLU 75 - H SER 44 lone 4 95 - 5 - HB2 LYS 32 - H SER 44 lone 2 73 - 2 - Peak 6823 from nnoeabs.peaks (1.66, 7.95, 112.45 ppm; 4.59 A): 5 out of 8 assignments used, quality = 0.88: HB3 LEU 41 + H SER 44 OK 56 100 - 57 - 3.0/6023=21, 4.2/1602=19...(11) HB3 GLN 42 + H SER 44 OK 48 81 - 60 - 4.6/183=24, 4.0/1602=19...(7) HG3 GLN 42 + H SER 44 OK 28 63 - 45 - 5.2/1602=15, 3.9/1601=13...(6) HG LEU 27 + H SER 44 OK 15 100 - 15 - 2.1/6824=3, 2.1/6824=3...(6) HG3 ARG 85 + H SER 44 OK 11 96 - 12 - 4.1/6158=4, 7499=2...(4) HB ILE 34 - H SER 44 lone 8 97 - 8 - ~6828=3 HG LEU 51 - H SER 44 lone 3 76 - 4 - HB3 LYS 32 - H SER 44 lone 2 87 - 3 - Peak 6824 from nnoeabs.peaks (0.92, 7.95, 112.45 ppm; 3.96 A): 5 out of 13 assignments used, quality = 0.95: HB2 GLN 42 + H SER 44 OK 57 100 - 57 - 4.6/183=18, 4.0/1602=15...(10) QG2 VAL 49 + H SER 44 OK 50 100 - 50 - 3.2/6820=25, ~6836=11...(6) QD1 LEU 41 + H SER 44 OK 46 89 - 52 - 4.1/6023=13, 4.9/1602=12...(13) QD2 LEU 41 + H SER 44 OK 33 68 - 48 - 4.1/6023=13, 4.9/1602=12...(11) QG2 VAL 115 + H SER 44 OK 30 98 - 30 - 7974/2.9=5, 7977/3.6=3...(11) QD2 LEU 27 - H SER 44 OK 23 99 - 23 - 6532/4.0=5, 6827/2.9=3...(7) QD1 LEU 27 - H SER 44 OK 19 97 - 20 - 6829/4.0=2, 6827/2.9=2...(7) QD1 LEU 55 - H SER 44 OK 13 83 - 15 - 3043/6820=2, 6827/2.9=2...(7) QD1 LEU 117 - H SER 44 lone 10 99 - 10 - 3043/6820=2 QG2 ILE 22 - H SER 44 lone 9 98 - 10 - QD1 ILE 124 - H SER 44 poor 8 63 - 13 - 4.7/1453=4, 5369/4.6=3 QD1 ILE 63 - H SER 44 lone 6 68 - 8 - 3.2/7123=1 QD1 LEU 126 - H SER 44 lone 4 99 - 4 - Peak 6837 from nnoeabs.peaks (0.97, 7.78, 117.28 ppm; 4.28 A): 5 out of 8 assignments used, quality = 0.83: QD1 LEU 101 + H LEU 45 OK 49 83 - 59 - 7725=18, 2.1/7728=12...(12) QG2 ILE 124 + H LEU 45 OK 48 99 - 49 - 5348=12, 2.1/5341=11...(9) HG3 LYS 65 + H LEU 45 OK 15 92 - 16 - 2.9/967=2, 2.9/967=2...(6) HG2 LYS 65 + H LEU 45 OK 15 92 - 16 - 2.9/967=2, 2.9/967=2...(6) QG1 VAL 18 + H LEU 45 OK 12 85 - 14 - 3.2/189=4, 6840/4.0=2...(5) QD2 LEU 58 - H LEU 45 lone 6 63 - 9 - 6840/4.0=2, 6839/4.0=2 QG2 THR 95 - H LEU 45 lone 4 98 - 4 - QD1 ILE 63 - H LEU 45 lone 3 71 - 4 - Peak 6838 from nnoeabs.peaks (1.35, 7.78, 117.28 ppm; 4.27 A): 4 out of 7 assignments used, quality = 0.91: QB ALA 43 + H LEU 45 OK 59 89 - 67 - 3.6/1453=20, 6815=17...(11) HG2 LYS 46 + H LEU 45 OK 47 78 - 60 - 5.1/1454=15, 3.9/1608=12...(16) HG3 LYS 46 + H LEU 45 OK 47 78 - 60 - 5.1/1454=15, 3.9/1608=12...(16) QG2 THR 17 + H LEU 45 OK 19 78 - 24 - 6345/4.5=5, 8194/4.7=3...(9) QG2 THR 121 - H LEU 45 lone 7 73 - 9 - 3.2/8180=3, 8088/5355=1...(4) HG2 LYS 31 - H LEU 45 lone 6 87 - 7 - 1.8/967=1, 4.0/187=1 HB3 LEU 59 - H LEU 45 lone 3 100 - 3 - Peak 6858 from nnoeabs.peaks (1.00, 6.90, 121.36 ppm; 4.16 A): 7 out of 8 assignments used, quality = 0.92: QD1 LEU 101 + H LYS 46 OK 61 95 - 65 - 7721=24, 6859/2.9=10...(15) HG3 LYS 65 + H LYS 46 OK 33 87 - 38 - 6859/2.9=7, ~6859=5...(15) HG2 LYS 65 + H LYS 46 OK 33 87 - 38 - 6859/2.9=7, ~6859=5...(15) QD1 LEU 58 + H LYS 46 OK 20 100 - 20 - 6859/2.9=2, 6839/4.3=2...(9) HB3 LEU 27 + H LYS 46 OK 18 99 - 18 - 6840/4.3=4, 6839/4.3=4...(5) QD2 LEU 58 + H LYS 46 OK 17 100 - 17 - 6859/2.9=2, 6840/4.3=2...(5) QG1 VAL 18 + H LYS 46 OK 15 93 - 16 - ~8391=4, 6859/2.9=3...(5) QG2 THR 95 - H LYS 46 lone 2 73 - 2 - Peak 6862 from nnoeabs.peaks (3.92, 6.90, 121.36 ppm; 4.17 A): 4 out of 13 assignments used, quality = 0.88: HA ALA 43 + H LYS 46 OK 77 100 - 78 - 6812=22, 2.1/6814=15...(18) HD3 PRO 68 + H LYS 46 OK 21 99 - 21 - 6864/4.0=3, 6865/4.0=3...(10) HD2 PRO 68 + H LYS 46 OK 20 97 - 21 - 6864/4.0=3, 6865/4.0=3...(10) HA THR 23 + H LYS 46 OK 16 96 - 17 - 6445/4.5=3, 6864/4.0=2...(8) HA ILE 34 - H LYS 46 lone 8 85 - 9 - 4.0/195=4, 1605/4.5=1 HA ARG 85 - H LYS 46 lone 7 98 - 7 - 1605/4.5=1 HB THR 62 - H LYS 46 lone 6 99 - 6 - 6864/4.0=1 HA2 GLY 25 - H LYS 46 lone 5 96 - 6 - HA2 GLY 2 - H LYS 46 lone 2 85 - 3 - HA3 GLY 2 - H LYS 46 lone 2 85 - 3 - HA SER 74 - H LYS 46 lone 1 68 - 2 - HA3 GLY 125 - H LYS 46 lone 1 57 - 2 - HA2 GLY 125 - H LYS 46 lone 1 57 - 2 - Peak 6863 from nnoeabs.peaks (4.06, 6.90, 121.36 ppm; 4.58 A): 3 out of 9 assignments used, quality = 0.93: HA SER 44 + H LYS 46 OK 80 99 - 80 - 3.6/1454=26, 6819=25...(15) HA TYR 102 + H LYS 46 OK 47 92 - 51 - 7746/2.9=15, 7737/5.1=7...(12) HA LYS 109 + H LYS 46 OK 36 98 - 37 - 6861/2.9=6, 8272/4.0=4...(14) HA LEU 55 - H LYS 46 OK 20 100 - 20 - 6861/2.9=2, 3221/4.0=2...(6) HD3 PRO 37 - H LYS 46 OK 14 87 - 16 - 6861/2.9=2, 6694/7.5=2...(6) HA SER 112 - H LYS 46 OK 12 100 - 12 - 6861/2.9=2, 187/4.5=2...(4) HA LYS 31 - H LYS 46 lone 6 81 - 7 - 187/4.5=1 HA GLN 16 - H LYS 46 lone 4 60 - 6 - HA VAL 120 - H LYS 46 lone 4 81 - 4 - Peak 6870 from nnoeabs.peaks (0.92, 7.92, 110.25 ppm; 4.81 A): 4 out of 11 assignments used, quality = 0.68: QD1 LEU 41 + H ASP 47 OK 31 97 - 32 - 2813/3.6=7, 4.1/198=5...(8) QG2 VAL 115 + H ASP 47 OK 29 100 - 29 - 8168/4.4=6, 7977/4.9=4...(7) QG2 VAL 49 + H ASP 47 OK 23 100 - 23 - 4.0/6894=13, 6873/4.0=4 HB2 GLN 42 + H ASP 47 OK 16 100 - 16 - 4.6/1452=4, 2831/4.4=3...(4) QD1 LEU 27 - H ASP 47 lone 9 100 - 9 - 6873/4.0=2, 2813/3.6=1 QD1 LEU 117 - H ASP 47 lone 8 96 - 9 - 6873/4.0=2, 2.1/200=1 QD2 LEU 27 - H ASP 47 lone 7 100 - 7 - 6873/4.0=2 QD1 LEU 55 - H ASP 47 lone 7 93 - 7 - 6873/4.0=2, 3.1/199=1 QG2 ILE 22 - H ASP 47 lone 7 100 - 7 - 6873/4.0=1 QD1 ILE 63 - H ASP 47 lone 5 83 - 6 - 6873/4.0=2 QD1 LEU 126 - H ASP 47 lone 3 95 - 3 - Peak 6876 from nnoeabs.peaks (2.85, 7.77, 103.67 ppm; 4.89 A): 6 out of 9 assignments used, quality = 0.92: HB2 ASN 79 + H GLY 48 OK 70 97 - 72 - ~7374=15, ~6887=15...(13) HB3 TYR 67 + H GLY 48 OK 39 93 - 42 - 6888/3.0=7, 6882/3.0=7...(10) HB2 TYR 67 + H GLY 48 OK 39 93 - 42 - 6888/3.0=7, 6882/3.0=7...(10) HG CYS 52 + H GLY 48 OK 16 100 - 16 - 6898/4.6=7, 6882/3.0=3...(4) HE3 LYS 119 + H GLY 48 OK 10 98 - 10 - 6882/3.0=2, 6888/3.0=2...(4) HE2 LYS 119 + H GLY 48 OK 10 97 - 10 - 6882/3.0=2, 6888/3.0=2...(4) HB2 ASN 99 - H GLY 48 lone 8 96 - 9 - 6888/3.0=1, 6882/3.0=1...(4) HB3 PHE 107 - H GLY 48 lone 7 98 - 7 - 6898/4.6=2, 6882/3.0=1 HB2 ASP 36 - H GLY 48 lone 3 96 - 3 - Peak 6877 from nnoeabs.peaks (2.17, 7.77, 103.67 ppm; 4.71 A): 4 out of 6 assignments used, quality = 0.92: HG12 ILE 80 + H GLY 48 OK 69 97 - 72 - 2.1/6878=15, 6883/3.0=13...(15) HB VAL 49 + H GLY 48 OK 49 95 - 52 - 3.9/211=24, ~8495=8...(9) HB VAL 26 + H GLY 48 OK 35 81 - 44 - 2.1/6881=10, 2.1/6881=10...(11) HG2 GLU 69 + H GLY 48 OK 21 71 - 30 - 6883/3.0=6, 5.0/1457=6...(8) HB2 GLU 73 - H GLY 48 lone 5 90 - 5 - HG2 PRO 37 - H GLY 48 lone 3 63 - 5 - 990/4.6=2 Peak 6878 from nnoeabs.peaks (1.27, 7.77, 103.67 ppm; 4.60 A): 2 out of 6 assignments used, quality = 0.93: QD1 ILE 80 + H GLY 48 OK 75 99 - 76 - 7395=16, 2.1/6877=14...(17) QG2 ILE 80 + H GLY 48 OK 73 99 - 74 - 4.0/8278=13, 3.2/6877=11...(20) QG2 THR 19 - H GLY 48 OK 27 89 - 30 - 2.1/987=6, 6890/3.0=4...(10) QG2 THR 116 - H GLY 48 lone 9 100 - 9 - 6890/3.0=1, 6884/3.0=1 HG LEU 54 - H GLY 48 lone 7 99 - 7 - 6890/3.0=1, 6884/3.0=1 HG3 LYS 32 - H GLY 48 lone 4 93 - 5 - Peak 6879 from nnoeabs.peaks (1.02, 7.77, 103.67 ppm; 4.83 A): 4 out of 5 assignments used, quality = 0.55: QD2 LEU 101 + H GLY 48 OK 30 90 - 33 - 7728=12, 2.1/7725=8...(8) QD1 LEU 58 + H GLY 48 OK 17 93 - 18 - 3383/3.0=3, 4.0/987=2...(8) HB3 LEU 27 + H GLY 48 OK 12 98 - 12 - 6518/6881=1, 6518/6881=1 QD2 LEU 58 + H GLY 48 OK 11 78 - 14 - 4.0/987=2, ~3383=2...(5) QG1 VAL 120 - H GLY 48 lone 8 92 - 8 - 8048/6878=1, 8048/6878=1 Peak 6880 from nnoeabs.peaks (0.90, 7.77, 103.67 ppm; 4.58 A): 7 out of 14 assignments used, quality = 0.94: QD1 ILE 124 + H GLY 48 OK 49 97 - 51 - 5369=11, 2.1/5362=9...(13) QG1 VAL 49 + H GLY 48 OK 44 90 - 49 - 4.0/211=22, 8495/3.0=11...(7) HG13 ILE 80 + H GLY 48 OK 43 60 - 71 - 1.8/6877=14, 2.1/6878=14...(13) QG2 VAL 49 + H GLY 48 OK 40 78 - 52 - 4.0/211=22, 2.1/6877=10...(10) HB2 GLN 42 + H GLY 48 OK 15 85 - 18 - 3.0/6030=4, 4.6/1600=4...(5) QD2 LEU 41 + H GLY 48 OK 14 98 - 14 - 991/4.6=2, 6892/3.0=2...(5) QG2 VAL 115 + H GLY 48 OK 12 68 - 17 - 6870/4.4=3, 6873/4.2=2...(8) QD2 LEU 27 - H GLY 48 poor 9 71 - 13 - 3.1/6879=4, 6873/4.2=1 QD1 LEU 117 - H GLY 48 lone 8 97 - 9 - 3042/4.6=2, 6873/4.2=2 QD1 LEU 27 - H GLY 48 poor 7 63 - 11 - 3.1/6879=4, 6873/4.2=1 QD2 LEU 59 - H GLY 48 lone 6 90 - 7 - QD1 LEU 126 - H GLY 48 lone 6 97 - 6 - QD2 LEU 126 - H GLY 48 lone 4 68 - 6 - 991/4.6=2 QG2 ILE 22 - H GLY 48 lone 3 68 - 4 - Peak 6881 from nnoeabs.peaks (0.62, 7.77, 103.67 ppm; 4.73 A): 4 out of 4 assignments used, quality = 0.89: QG2 VAL 26 + H GLY 48 OK 47 100 - 47 - 6886/3.0=10, 6891/3.0=10...(10) QG1 VAL 26 + H GLY 48 OK 46 97 - 47 - 6886/3.0=11, 6891/3.0=11...(10) QD1 LEU 51 + H GLY 48 OK 43 100 - 43 - 6935/3.0=13, 6891/3.0=10...(11) QD1 LEU 45 + H GLY 48 OK 32 78 - 41 - 2.1/2898=7, 2912=7...(10) Peak 6894 from nnoeabs.peaks (8.24, 7.92, 110.25 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.46: H VAL 49 + H ASP 47 OK 30 97 - 31 - 4.6/207=24, 4.0/6870=4 H GLU 69 + H ASP 47 OK 23 78 - 29 - 3.0/3009=9, 1101/3.0=7...(7) H ASP 100 - H ASP 47 lone 7 89 - 7 - 7691/4.0=2, 490/3.0=1 H MET 11 - H ASP 47 lone 4 57 - 7 - 4.1/5584=2, 8594/4.4=2 Peak 6896 from nnoeabs.peaks (1.15, 8.25, 122.68 ppm; 4.96 A): 3 out of 4 assignments used, quality = 0.85: QG2 VAL 50 + H VAL 49 OK 71 96 - 74 - 6918=33, 4.0/1458=25...(6) QD2 LEU 117 + H VAL 49 OK 37 96 - 39 - 8493/4.0=11, 997/4.7=6...(10) HB3 LEU 54 + H VAL 49 OK 19 98 - 20 - 8493/4.0=5, 997/4.7=3...(6) QG2 VAL 120 - H VAL 49 lone 5 73 - 6 - 997/4.7=2, 8493/4.0=2 Peak 6898 from nnoeabs.peaks (2.87, 8.25, 122.68 ppm; 5.18 A): 3 out of 10 assignments used, quality = 0.78: HG CYS 52 + H VAL 49 OK 56 89 - 63 - ~6041=20, ~6039=19...(10) HB2 ASN 79 + H VAL 49 OK 42 68 - 62 - 3.5/6910=23, 3.5/8144=15...(10) HB3 PHE 107 + H VAL 49 OK 15 71 - 20 - ~6040=5, 6897/3.0=4...(5) HE3 LYS 119 - H VAL 49 lone 7 99 - 7 - 6882/3.6=1, 6888/3.6=1 HE2 LYS 119 - H VAL 49 lone 7 99 - 7 - 6882/3.6=1, 6888/3.6=1 HB2 ASN 99 - H VAL 49 lone 6 63 - 9 - 6882/3.6=1, 6897/3.0=1 HB2 ASP 100 - H VAL 49 lone 3 71 - 3 - HB2 ASP 36 - H VAL 49 lone 2 63 - 4 - HB3 ASN 12 - H VAL 49 lone 1 92 - 2 - HB2 PHE 40 - H VAL 49 lone 1 68 - 1 - Peak 6910 from nnoeabs.peaks (7.41, 8.25, 122.68 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.69: HD21 ASN 79 + H VAL 49 OK 65 100 - 65 - 8145=26, 1.7/8144=16...(9) H GLU 75 + H VAL 49 OK 12 96 - 12 - 2.9/212=3, 1129/3.6=2...(4) H PHE 96 - H VAL 49 lone 8 92 - 8 - 4.6/1609=3, 4.4/7653=2 H LYS 32 - H VAL 49 lone 5 100 - 5 - 1445/8144=1 H SER 72 - H VAL 49 lone 4 97 - 4 - HE21 GLN 105 - H VAL 49 lone 3 85 - 3 - Peak 6944 from nnoeabs.peaks (0.76, 7.57, 116.46 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.91: QG2 ILE 63 + H CYS 52 OK 71 100 - 71 - 7142/4.0=21, 7124=13...(15) QG2 VAL 66 + H CYS 52 OK 69 97 - 71 - 7191/4.0=26, 7197=20...(9) QD2 LEU 93 - H CYS 52 OK 17 99 - 17 - 6948/3.0=4, 6962/4.6=3...(4) HG LEU 111 - H CYS 52 OK 17 96 - 17 - 6948/3.0=2, 4.3/6218=2...(7) QD1 LEU 84 - H CYS 52 OK 12 92 - 13 - 2.1/229=4, 6948/3.0=2...(5) QD1 LEU 91 - H CYS 52 OK 11 85 - 13 - 6948/3.0=2, 3.1/226=2...(6) Peak 6945 from nnoeabs.peaks (0.92, 7.57, 116.46 ppm; 4.65 A): 5 out of 11 assignments used, quality = 0.93: QG2 VAL 49 + H CYS 52 OK 57 100 - 57 - 3.2/1616=35, 6947/3.0=8...(9) QD1 ILE 63 + H CYS 52 OK 56 81 - 69 - 7147/4.0=15, 7129=14...(14) QD1 LEU 55 + H CYS 52 OK 28 92 - 31 - ~6061=5, 4.6/1632=4...(10) QD2 LEU 27 + H CYS 52 OK 27 100 - 27 - 3.1/226=3, 2.1/228=3...(12) QD1 LEU 41 + H CYS 52 OK 26 96 - 27 - 4.3/1461=5, 2812/4.6=4...(9) QD1 LEU 27 - H CYS 52 OK 24 99 - 24 - 3.1/226=3, 2.1/228=3...(9) QG2 ILE 22 - H CYS 52 OK 22 100 - 22 - 2155/3.0=3, 3.2/1006=3...(8) QG2 VAL 115 - H CYS 52 OK 19 100 - 19 - 7980=3, 7975/3.0=2...(5) QD1 LEU 126 - H CYS 52 OK 17 96 - 18 - 5411/3.0=3, ~5418=2...(8) QD1 LEU 117 - H CYS 52 OK 13 97 - 13 - 3043/1616=3, 6949/4.0=1 HB2 GLN 42 - H CYS 52 lone 9 100 - 9 - 1.8/228=1 Peak 6946 from nnoeabs.peaks (2.86, 7.57, 116.46 ppm; 3.33 A): 2 out of 10 assignments used, quality = 0.54: HG CYS 52 + H CYS 52 OK 47 96 - 49 - 5.4=24, 3.4/1007=16...(5) HB3 PHE 107 + H CYS 52 OK 15 83 - 18 - 1.8/1008=4, 4.0/1617=4...(6) HB2 ASN 79 - H CYS 52 poor 9 81 - 11 - ~6058=2, 6956/3.0=2...(5) HE3 LYS 119 - H CYS 52 lone 8 100 - 8 - 6956/3.0=1 HE2 LYS 119 - H CYS 52 lone 8 100 - 8 - 6956/3.0=1 HB2 TYR 67 - H CYS 52 lone 5 71 - 8 - 6956/3.0=1, 6954/4.0=1 HB3 TYR 67 - H CYS 52 lone 5 71 - 8 - 6956/3.0=1, 6954/4.0=1 HB2 ASN 99 - H CYS 52 lone 2 76 - 3 - HB2 ASP 36 - H CYS 52 lone 1 76 - 1 - HB3 ASN 12 - H CYS 52 lone 1 83 - 1 - Peak 6960 from nnoeabs.peaks (1.13, 8.54, 120.08 ppm; 4.72 A): 5 out of 5 assignments used, quality = 0.86: QG2 VAL 50 + H ARG 53 OK 53 100 - 53 - 3.2/1620=18, 6919=15...(9) HB3 LEU 54 + H ARG 53 OK 34 81 - 42 - 4.0/1462=25, 4.6/1622=11...(8) QG2 THR 62 + H ARG 53 OK 27 68 - 39 - 7120=10, 4.0/1619=8...(11) QD2 LEU 117 + H ARG 53 OK 26 100 - 26 - 1020/4.7=4, 2.1/6961=3...(9) QG2 VAL 120 + H ARG 53 OK 15 96 - 15 - 7986/8171=1, 8378/5806=1...(4) Peak 6961 from nnoeabs.peaks (0.90, 8.54, 120.08 ppm; 4.46 A): 4 out of 14 assignments used, quality = 0.91: QG1 VAL 49 + H ARG 53 OK 66 92 - 72 - 3.2/1621=26, 8407=21...(15) QD2 LEU 41 + H ARG 53 OK 46 99 - 47 - 2805=9, 2.1/2798=9...(14) QG2 VAL 49 + H ARG 53 OK 41 76 - 55 - 3.2/1621=26, 2.1/8407=18...(12) QD1 LEU 117 + H ARG 53 OK 19 96 - 20 - 2.1/6960=6, 2.1/1011=2 QD1 LEU 126 - H ARG 53 OK 18 97 - 18 - 5411/3.6=3, 2.1/1013=2...(7) HB2 GLN 42 - H ARG 53 OK 16 83 - 19 - 4.0/168=5, 4.6/1596=2...(5) QD2 LEU 126 - H ARG 53 OK 12 71 - 17 - 5418/3.6=2, 2.1/1013=2...(9) QG2 ILE 22 - H ARG 53 OK 10 65 - 15 - 3.2/232=3, 2155/3.6=2...(5) QD2 LEU 27 - H ARG 53 poor 10 68 - 14 - 2.1/2812=1, 6949/4.4=1...(4) QD2 LEU 59 - H ARG 53 lone 7 92 - 8 - QG2 VAL 115 - H ARG 53 lone 6 65 - 10 - 7975/3.6=1, 7980/4.6=1 QD1 LEU 27 - H ARG 53 poor 6 60 - 10 - 6949/4.4=1 QD1 ILE 124 - H ARG 53 lone 6 97 - 6 - HG13 ILE 80 - H ARG 53 lone 4 63 - 6 - 3030/1621=1 Peak 6962 from nnoeabs.peaks (0.74, 8.54, 120.08 ppm; 4.46 A): 6 out of 7 assignments used, quality = 0.85: QG2 ILE 63 + H ARG 53 OK 54 81 - 67 - 7142/4.4=15, 3.2/7126=12...(18) QD2 LEU 93 + H ARG 53 OK 38 92 - 42 - 2.1/5806=7, 5805=5...(12) HG LEU 111 + H ARG 53 OK 18 97 - 19 - 5805=2, 6948/3.6=2...(6) QD1 LEU 91 + H ARG 53 OK 16 100 - 16 - 3.1/1011=2, 2.1/5804=1...(5) QD2 LEU 111 + H ARG 53 OK 14 99 - 14 - 2.1/5805=2, 5805=2, 7905/3.0=1 QD1 LEU 84 + H ARG 53 OK 13 99 - 13 - 3.9/6149=2, 4.6/1689=2...(4) QD1 LEU 114 - H ARG 53 lone 6 90 - 7 - 3212/4.7=2 Peak 6963 from nnoeabs.peaks (0.60, 8.54, 120.08 ppm; 4.32 A): 3 out of 4 assignments used, quality = 0.89: QG1 VAL 26 + H ARG 53 OK 71 96 - 74 - 8236/4.7=14, 6505/3.0=13...(20) QG2 VAL 26 + H ARG 53 OK 46 71 - 64 - 2.1/8235=12, 6964/4.0=11...(16) QD1 LEU 51 + H ARG 53 OK 32 78 - 40 - 4.8/1619=9, 4.0/6050=8...(11) QD2 LEU 77 - H ARG 53 lone 2 63 - 4 - Peak 6996 from nnoeabs.peaks (0.62, 8.94, 121.12 ppm; 3.68 A): 3 out of 4 assignments used, quality = 0.97: QG1 VAL 26 + H LEU 54 OK 78 99 - 80 - 2.1/8231=17, 8236=17...(22) QG2 VAL 26 + H LEU 54 OK 77 100 - 77 - 8231=19, 2.1/8236=16...(21) QD1 LEU 51 + H LEU 54 OK 39 100 - 39 - 4.0/6051=13, 6995/3.0=5...(11) QD1 LEU 45 - H LEU 54 poor 9 71 - 12 - 2.1/8237=4, 3.1/237=1 Peak 6998 from nnoeabs.peaks (7.11, 8.12, 118.27 ppm; 4.32 A): 5 out of 5 assignments used, quality = 0.75: QD PHE 40 + H LEU 55 OK 29 99 - 29 - 7004/4.6=6, 7002/4.0=5...(9) H LEU 93 + H LEU 55 OK 29 78 - 36 - 7000/3.0=8, 7003/4.6=5...(10) QD PHE 83 + H LEU 55 OK 24 100 - 24 - 7004/4.6=5, 7002/4.0=4...(6) HE ARG 92 + H LEU 55 OK 22 99 - 22 - 7000/3.0=4, 7002/4.0=4...(7) HE ARG 53 + H LEU 55 OK 19 76 - 25 - 6.5/6064=6, 7004/4.6=5...(6) Peak 7006 from nnoeabs.peaks (0.63, 8.12, 118.27 ppm; 4.42 A): 4 out of 5 assignments used, quality = 0.94: QG2 VAL 26 + H LEU 55 OK 66 100 - 66 - 8231/4.6=16, 6995/3.6=15...(13) QG1 VAL 26 + H LEU 55 OK 64 93 - 69 - 6995/3.6=15, 8236/4.6=15...(18) QD1 LEU 51 + H LEU 55 OK 39 100 - 39 - 4.0/6056=14, 8731/4.6=6...(8) QD1 LEU 21 + H LEU 55 OK 14 63 - 22 - 2.1/248=12, ~7008=3, 6984/248=2 QD1 LEU 45 - H LEU 55 lone 7 85 - 9 - 6996/4.6=1, 6995/3.6=1 Peak 7021 from nnoeabs.peaks (1.61, 7.62, 116.71 ppm; 4.42 A): 5 out of 19 assignments used, quality = 0.90: HG12 ILE 63 + H GLU 56 OK 64 99 - 64 - 7133=18, 1.8/7132=16...(14) HG2 ARG 53 + H GLU 56 OK 49 100 - 49 - 3.9/6065=18, 3.0/253=6...(16) HB2 LEU 59 + H GLU 56 OK 21 92 - 23 - 3.7/7081=12, 3.2/256=4...(5) HD3 LYS 31 + H GLU 56 OK 18 96 - 19 - 3.4/253=4, 3.4/254=3...(7) HD2 LYS 31 + H GLU 56 OK 18 96 - 19 - 3.4/253=4, 3.4/254=3...(7) HD3 LYS 119 - H GLU 56 OK 18 96 - 19 - 3.7/254=3, 5240/4.6=2...(6) HD2 LYS 119 - H GLU 56 OK 18 95 - 19 - 3.7/254=3, 5240/4.6=2...(6) HG3 ARG 81 - H GLU 56 OK 16 60 - 26 - ~6114=4, 2.9/3267=3...(11) HG2 ARG 81 - H GLU 56 OK 16 60 - 26 - ~6114=4, 2.9/3267=3...(11) HG2 ARG 57 - H GLU 56 OK 15 60 - 24 - 3315/4.6=4, 3.0/1034=3...(10) HB3 LEU 126 - H GLU 56 lone 7 99 - 7 - HB2 LEU 126 - H GLU 56 lone 7 99 - 7 - HG LEU 126 - H GLU 56 lone 7 93 - 7 - HD3 LYS 32 - H GLU 56 lone 7 100 - 6 - HD2 LYS 32 - H GLU 56 lone 7 100 - 6 - HG LEU 101 - H GLU 56 lone 6 97 - 7 - HG2 PRO 30 - H GLU 56 lone 5 100 - 5 - HG LEU 51 - H GLU 56 lone 2 71 - 3 - HB3 GLN 42 - H GLU 56 lone 2 65 - 3 - Peak 7030 from nnoeabs.peaks (0.75, 7.62, 116.71 ppm; 4.71 A): 7 out of 8 assignments used, quality = 0.85: QG2 ILE 63 + H GLU 56 OK 65 97 - 67 - 3.2/7133=15, 3.2/7132=15...(15) QD2 LEU 93 + H GLU 56 OK 19 100 - 19 - 2.1/256=3, 7025/4.9=2...(6) HG LEU 111 + H GLU 56 OK 15 100 - 15 - 7025/4.9=2, 7026/4.9=2 QG2 VAL 66 + H GLU 56 OK 15 76 - 19 - 7196/4.6=4, 7026/4.9=3...(7) QD1 LEU 91 + H GLU 56 OK 12 99 - 12 - 3.1/253=2, 8373/8069=1 QD1 LEU 114 + H GLU 56 OK 10 68 - 15 - 2.1/256=4, 7007/3.6=3...(6) QD1 LEU 84 + H GLU 56 OK 10 100 - 10 - 2.1/254=1, 7025/4.9=1 QD2 LEU 111 - H GLU 56 poor 10 89 - 11 - 7906/3.6=1 Peak 7031 from nnoeabs.peaks (0.99, 7.59, 117.24 ppm; 4.75 A): 5 out of 8 assignments used, quality = 0.83: QD2 LEU 58 + H ARG 57 OK 45 100 - 45 - 4.8/1466=15, 4.9/7044=7...(9) QD1 LEU 58 + H ARG 57 OK 42 97 - 44 - 4.8/1466=15, 4.9/7044=7...(8) QD1 LEU 101 + H ARG 57 OK 27 100 - 27 - 7037/3.7=3, 7038/3.0=3...(11) HB3 LEU 27 + H ARG 57 OK 16 90 - 18 - 1050/4.6=3, 8240/7033=2...(7) QG1 VAL 18 + H ARG 57 OK 13 99 - 13 - 1050/4.6=2, 8404/3.7=2 QG2 THR 95 - H ARG 57 lone 7 90 - 8 - 2.1/1640=2 HG2 LYS 65 - H ARG 57 lone 7 97 - 7 - HG3 LYS 65 - H ARG 57 lone 7 97 - 7 - Peak 7032 from nnoeabs.peaks (0.62, 7.59, 117.24 ppm; 4.22 A): 3 out of 4 assignments used, quality = 0.92: QG1 VAL 26 + H ARG 57 OK 67 99 - 68 - 7035/3.0=10, 7036/3.7=9...(20) QG2 VAL 26 + H ARG 57 OK 63 100 - 63 - 7035/3.0=10, 7036/3.7=9...(19) QD1 LEU 51 + H ARG 57 OK 36 100 - 36 - 5610=5, 7035/3.0=4...(16) QD1 LEU 45 - H ARG 57 poor 9 71 - 13 - 7034/3.7=2, 7036/3.7=1...(4) Peak 7033 from nnoeabs.peaks (0.22, 7.59, 117.24 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.87: QD1 LEU 54 + H ARG 57 OK 76 100 - 76 - 6976=17, 7054/4.6=17...(22) QD2 LEU 21 + H ARG 57 OK 46 89 - 51 - 7054/4.6=12, 2.1/6399=10...(13) Peak 7044 from nnoeabs.peaks (8.66, 7.59, 117.24 ppm; 4.81 A): 4 out of 5 assignments used, quality = 0.94: H VAL 120 + H ARG 57 OK 63 99 - 64 - 609=12, 1794/4.6=10...(14) H LEU 59 + H ARG 57 OK 60 99 - 61 - 4.6/1466=15, 7070/3.6=15...(14) H LEU 117 + H ARG 57 OK 53 100 - 53 - 1782=11, 8300/3.6=8...(13) H ASN 12 + H ARG 57 OK 10 97 - 10 - 1467/4.6=2, 8300/3.6=1...(4) H ASN 106 - H ARG 57 poor 8 71 - 12 - 526/3.7=2, 525/3.7=2...(4) Peak 7052 from nnoeabs.peaks (0.86, 7.72, 117.75 ppm; 4.62 A): 7 out of 10 assignments used, quality = 0.89: QD2 LEU 55 + H LEU 58 OK 37 93 - 40 - 4.0/8639=10, 7020=7...(10) QD2 LEU 114 + H LEU 58 OK 34 97 - 35 - 7955/4.6=6, 4.0/6241=4...(12) HG13 ILE 80 + H LEU 58 OK 29 99 - 29 - 7056/3.9=6, 8347/4.8=5...(10) QD1 LEU 59 + H LEU 58 OK 27 83 - 33 - 4.6/1467=13, 2.1/7082=5...(6) QD2 LEU 126 + H LEU 58 OK 25 97 - 26 - 5417=7, 2.1/5410=5...(8) QD2 LEU 59 + H LEU 58 OK 24 83 - 30 - 4.6/1467=13, 7082=5...(6) HG13 ILE 22 + H LEU 58 OK 12 73 - 16 - 7056/3.9=3, 1.8/1047=2...(4) QG1 VAL 49 - H LEU 58 lone 7 83 - 9 - 6985/7054=1, 2.1/7019=1 QD2 LEU 41 - H LEU 58 lone 6 65 - 9 - 6754/6478=2, 2.1/266=1 QD1 ILE 124 - H LEU 58 lone 4 71 - 6 - 1058/4.6=1 Peak 7053 from nnoeabs.peaks (0.64, 7.72, 117.75 ppm; 4.65 A): 5 out of 5 assignments used, quality = 0.89: QD2 LEU 24 + H LEU 58 OK 54 83 - 66 - 6478=22, 6365/4.8=9...(16) QD1 LEU 21 + H LEU 58 OK 49 97 - 51 - 2.1/7054=17, 8506/5.0=6...(13) QG2 VAL 26 + H LEU 58 OK 37 87 - 43 - 7036/4.2=8, 7034/4.2=7...(11) QD1 LEU 51 + H LEU 58 OK 15 81 - 18 - 5610/4.6=4, 7035/3.6=3...(6) QD1 LEU 45 + H LEU 58 OK 13 100 - 13 - 8506/5.0=2, 7034/4.2=2...(6) Peak 7054 from nnoeabs.peaks (0.22, 7.72, 117.75 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.85: QD1 LEU 54 + H LEU 58 OK 70 99 - 71 - 6975=21, 7065/4.8=17...(15) QD2 LEU 21 + H LEU 58 OK 51 97 - 53 - 2.1/7053=10, 7068/5.0=8...(16) Peak 7069 from nnoeabs.peaks (3.76, 7.72, 117.75 ppm; 4.88 A): 6 out of 11 assignments used, quality = 0.78: HA LEU 54 + H LEU 58 OK 39 97 - 40 - 4.0/7054=17, 6072/4.6=11...(6) HA GLU 38 + H LEU 58 OK 31 100 - 31 - 6076/4.2=7, 1639/4.6=6...(6) HA CYS 87 + H LEU 58 OK 22 100 - 22 - 6165=6, 3.6/1710=2...(6) HA GLU 73 + H LEU 58 OK 14 93 - 15 - 6076/4.2=3, 1639/4.6=2...(5) HD2 PRO 30 + H LEU 58 OK 12 98 - 12 - 3.0/1049=1, 1639/4.6=1...(4) HB3 SER 90 + H LEU 58 OK 10 73 - 14 - 4368=2, 1.8/4364=2...(6) HB3 SER 13 - H LEU 58 lone 6 99 - 6 - 1639/4.6=1 HB3 SER 35 - H LEU 58 lone 4 100 - 4 - HB2 SER 72 - H LEU 58 lone 4 85 - 4 - HB3 SER 74 - H LEU 58 lone 3 73 - 4 - 4.0/1528=1 HB2 SER 74 - H LEU 58 lone 3 71 - 4 - 4.0/1528=1 Peak 7070 from nnoeabs.peaks (4.17, 8.67, 119.71 ppm; 4.18 A): 2 out of 13 assignments used, quality = 0.49: HA GLU 56 + H LEU 59 OK 43 100 - 43 - 8300=19, 2.9/7081=13...(5) HA PRO 37 + H LEU 59 OK 11 73 - 16 - 6000/4.8=6, 3.8/7074=3...(4) HA GLU 28 - H LEU 59 lone 7 98 - 7 - 8196/4.9=1, 3.0/273=1 HA ARG 92 - H LEU 59 lone 6 85 - 8 - 4416/4.6=2, 3.0/273=2 HB2 SER 113 - H LEU 59 lone 5 93 - 6 - HA ILE 124 - H LEU 59 lone 5 68 - 8 - 4.2/1058=2, 5340/4.6=1 HA PHE 83 - H LEU 59 lone 4 85 - 5 - 8354/4.6=1 HA ASN 108 - H LEU 59 lone 4 73 - 5 - HA ILE 63 - H LEU 59 lone 4 60 - 6 - 3.0/7074=1, 7109/7087=1 HA PRO 68 - H LEU 59 lone 3 83 - 4 - HA SER 78 - H LEU 59 lone 2 100 - 2 - HA3 GLY 61 - H LEU 59 lone 1 65 - 1 - HB3 SER 72 - H LEU 59 lone 1 63 - 1 - Peak 7071 from nnoeabs.peaks (4.07, 8.67, 119.71 ppm; 4.31 A): 6 out of 9 assignments used, quality = 0.90: HA LEU 55 + H LEU 59 OK 54 95 - 58 - 6999=15, 3.6/7081=12...(13) HA VAL 120 + H LEU 59 OK 43 95 - 46 - 3.2/7087=11, 5280=6...(13) HA LYS 109 + H LEU 59 OK 31 89 - 36 - 7060/4.9=6, 8573/4.6=6...(9) HA LYS 31 + H LEU 59 OK 28 95 - 30 - 3.0/273=4, 2399/3.7=4...(12) HA SER 112 + H LEU 59 OK 12 97 - 12 - 8573/4.6=2, 6226/1772=1...(4) HD3 PRO 37 + H LEU 59 OK 11 68 - 16 - 2.3/7074=4, 3.6/7070=3 HA TYR 102 - H LEU 59 poor 8 76 - 11 - 7060/4.9=2, 7739/4.9=2...(5) HA SER 44 - H LEU 59 lone 7 100 - 7 - HA LEU 24 - H LEU 59 lone 4 65 - 6 - 2196/4.6=3, 3.0/274=2 Peak 7072 from nnoeabs.peaks (3.55, 8.67, 119.71 ppm; 4.42 A): 2 out of 5 assignments used, quality = 0.98: HD2 PRO 60 + H LEU 59 OK 96 100 - 96 - 4.8=79, 8307/3.0=37...(9) HA ASN 118 + H LEU 59 OK 55 100 - 56 - 3.0/271=11, 6261=10...(15) HA LEU 51 - H LEU 59 OK 18 99 - 18 - 8644/4.6=3, 3443/4.8=3...(7) HB2 ASP 47 - H LEU 59 lone 8 96 - 8 - 3443/4.8=3, 6872/7074=1 HA2 GLY 48 - H LEU 59 lone 3 60 - 5 - 1.8/272=2 Peak 7073 from nnoeabs.peaks (3.34, 8.67, 119.71 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.94: HD3 PRO 60 + H LEU 59 OK 91 100 - 91 - 4.8=65, 8308/3.0=33...(10) HD3 ARG 85 + H LEU 59 OK 18 99 - 18 - 7075/3.0=3, 8645/4.6=2...(9) HD2 ARG 57 + H LEU 59 OK 11 73 - 16 - 3437/4.8=5, 6.0/7044=4...(5) HB3 PHE 40 - H LEU 59 lone 6 97 - 6 - 3437/4.8=2 Peak 7074 from nnoeabs.peaks (2.04, 8.67, 119.71 ppm; 4.39 A): 4 out of 8 assignments used, quality = 0.87: HG3 PRO 60 + H LEU 59 OK 72 100 - 72 - 2.3/7073=27, ~8307=21...(7) HB2 GLU 56 + H LEU 59 OK 37 100 - 37 - 3.0/7070=15, 3.7/7081=12...(5) HG3 PRO 37 + H LEU 59 OK 19 98 - 20 - 3478/4.8=6, 3479/4.8=5...(4) HG3 PRO 70 + H LEU 59 OK 11 100 - 11 - 3435/4.8=3, 3442/4.8=3 HB ILE 63 - H LEU 59 lone 8 76 - 10 - 3442/4.8=1, 3435/4.8=1 HB3 ARG 53 - H LEU 59 lone 7 83 - 8 - 7113/7087=1 HB3 GLU 38 - H LEU 59 lone 6 85 - 7 - 5639/4.6=1 HB3 ARG 81 - H LEU 59 lone 5 97 - 6 - Peak 7081 from nnoeabs.peaks (7.63, 8.67, 119.71 ppm; 4.18 A): 3 out of 5 assignments used, quality = 0.71: H GLU 56 + H LEU 59 OK 45 100 - 45 - 2.9/7070=14, 3.6/6999=9...(10) H LYS 119 + H LEU 59 OK 33 60 - 56 - 3.6/7072=8, 1789=8...(20) H ALA 122 + H LEU 59 OK 22 68 - 33 - 1804=6, 4.2/8071=6...(12) HD21 ASN 12 - H LEU 59 lone 6 98 - 6 - 3.5/1874=2, 3.5/1880=2 HD21 ASN 108 - H LEU 59 lone 2 65 - 3 - Peak 7087 from nnoeabs.peaks (1.10, 8.67, 119.71 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.72: QG2 THR 62 + H LEU 59 OK 53 99 - 53 - 7079/3.7=24, 7078/3.7=20...(5) QG2 VAL 120 + H LEU 59 OK 40 81 - 50 - 7079/3.7=8, 3.2/7071=8...(16) Peak 7094 from nnoeabs.peaks (0.85, 8.33, 116.84 ppm; 4.85 A): 6 out of 9 assignments used, quality = 0.85: QD2 LEU 55 + H THR 62 OK 36 100 - 37 - 7104/3.9=8, 7117/4.0=8...(7) HG13 ILE 22 + H THR 62 OK 34 97 - 35 - 1.8/7097=6, 7101/3.0=5...(11) QD1 LEU 59 + H THR 62 OK 34 99 - 34 - 7104/3.9=9, 7117/4.0=8...(7) QD2 LEU 114 + H THR 62 OK 24 100 - 23 - 7960/4.0=9, 7104/3.9=4...(6) QD1 LEU 93 + H THR 62 OK 23 83 - 28 - 7607/3.0=8, 8378/4.0=8...(7) QD2 LEU 126 + H THR 62 OK 11 76 - 14 - 4.7/644=3, 3.1/7096=2...(6) QG1 VAL 115 - H THR 62 poor 10 85 - 11 - 7101/3.0=2, 7117/4.0=2...(4) HG13 ILE 80 - H THR 62 lone 5 83 - 6 - ~7409=2 HB2 ASN 118 - H THR 62 lone 4 65 - 7 - 7101/3.0=2, 7117/4.0=2 Peak 7095 from nnoeabs.peaks (0.95, 8.33, 116.84 ppm; 4.91 A): 7 out of 9 assignments used, quality = 0.93: QD1 ILE 63 + H THR 62 OK 67 97 - 69 - 7149/4.0=29, 5.0/288=20...(10) QG2 ILE 124 + H THR 62 OK 42 99 - 43 - 5937=8, 2.1/5936=7...(10) QD1 LEU 55 + H THR 62 OK 27 90 - 30 - 2.1/7094=8, 7103/3.9=6...(6) QG2 ILE 22 + H THR 62 OK 22 65 - 34 - 3.2/7094=6, 3.2/7097=5...(11) QD1 LEU 27 + H THR 62 OK 15 71 - 22 - 2.1/6537=6, 2.1/7096=2...(7) QD2 LEU 27 + H THR 62 OK 15 63 - 23 - 6537=5, 2.1/7096=2...(8) QD1 LEU 41 + H THR 62 OK 13 85 - 15 - 1072/4.6=2, 2.1/7097=2...(5) QG2 VAL 115 - H THR 62 poor 7 65 - 11 - 2.1/7094=2, 7103/3.9=1...(5) QG2 THR 95 - H THR 62 lone 3 73 - 4 - Peak 7096 from nnoeabs.peaks (1.63, 8.33, 116.84 ppm; 4.65 A): 5 out of 19 assignments used, quality = 0.71: HG12 ILE 63 + H THR 62 OK 37 76 - 49 - 5.2/288=17, 2.1/7095=11...(8) HB2 LEU 59 + H THR 62 OK 33 100 - 33 - 7078/4.0=20, 3.2/7094=6...(5) HG2 ARG 53 + H THR 62 OK 14 92 - 15 - 1.8/7097=3, 7115/4.0=3...(6) HB3 LEU 126 + H THR 62 OK 11 78 - 14 - 7078/4.0=4, 4.0/644=3...(4) HB2 LEU 126 + H THR 62 OK 11 76 - 14 - 7078/4.0=4, 4.0/644=3...(4) HG LEU 27 - H THR 62 poor 10 65 - 15 - 2.1/6537=6, 2.1/7095=3...(4) HG3 ARG 85 - H THR 62 lone 8 83 - 10 - 5.0/1489=3, 4.1/1064=3 HG LEU 51 - H THR 62 lone 8 98 - 8 - 3088/4.6=3, 5.1/1469=2 HG LEU 101 - H THR 62 lone 5 99 - 5 - 4.3/7100=1 HG2 PRO 30 - H THR 62 lone 5 96 - 5 - HB ILE 34 - H THR 62 lone 3 78 - 4 - HD3 LYS 31 - H THR 62 lone 3 100 - 3 - HD2 LYS 31 - H THR 62 lone 3 100 - 3 - HD3 LYS 119 - H THR 62 lone 3 63 - 4 - 7115/4.0=1 HD2 LYS 119 - H THR 62 lone 2 60 - 4 - 7115/4.0=1 HB3 GLN 42 - H THR 62 lone 2 97 - 2 - HD3 LYS 32 - H THR 62 lone 2 92 - 2 - HD2 LYS 32 - H THR 62 lone 2 92 - 2 - HB3 LYS 32 - H THR 62 lone 1 93 - 2 - Peak 7097 from nnoeabs.peaks (1.83, 8.33, 116.84 ppm; 4.74 A): 7 out of 12 assignments used, quality = 0.86: HG13 ILE 63 + H THR 62 OK 45 96 - 47 - 5.2/288=17, 2.1/7095=11...(6) HB2 PRO 60 + H THR 62 OK 39 60 - 65 - 4.2/285=34, 2.3/7100=29...(6) HG12 ILE 22 + H THR 62 OK 27 92 - 29 - 1.8/7094=7, ~7101=3...(9) HG3 ARG 53 + H THR 62 OK 15 100 - 16 - 1.8/7096=3, 1071/4.6=3...(5) HG2 GLU 73 + H THR 62 OK 12 99 - 12 - 4.1/5711=2, 5714=2...(6) HG3 GLU 73 + H THR 62 OK 12 99 - 12 - 4.1/5711=2, 5714=2...(6) HG LEU 41 + H THR 62 OK 11 100 - 11 - 2.1/7095=2, 1071/4.6=1, ~6755=1 HB3 ARG 57 - H THR 62 poor 10 83 - 12 - 1071/4.6=4, 1.8/7098=2 HB3 ARG 92 - H THR 62 lone 3 68 - 5 - HB2 GLU 69 - H THR 62 lone 3 100 - 3 - HB3 GLN 105 - H THR 62 lone 3 93 - 4 - HG2 GLU 75 - H THR 62 lone 3 85 - 3 - Peak 7098 from nnoeabs.peaks (2.07, 8.33, 116.84 ppm; 4.24 A): 3 out of 15 assignments used, quality = 0.66: HB ILE 63 + H THR 62 OK 41 97 - 42 - 4.0/288=20, 3.2/7095=8...(7) HB3 ARG 81 + H THR 62 OK 26 78 - 33 - 3.0/1063=6, 4.3/1469=6...(11) HG3 PRO 60 + H THR 62 OK 23 63 - 36 - 3.8/7100=18, 2.3/7099=10...(6) HB2 ARG 57 - H THR 62 lone 8 100 - 8 - 1068/4.6=2, 1.8/7097=2 HB2 LEU 114 - H THR 62 lone 8 99 - 8 - 3.1/7094=3, ~7101=1 HB2 GLN 16 - H THR 62 lone 7 100 - 7 - 4.0/1469=2, 1942/4.6=2 HG LEU 21 - H THR 62 lone 7 98 - 7 - 2.1/5477=1 HB3 GLN 16 - H THR 62 lone 7 99 - 7 - 4.0/1469=2, 1942/4.6=2 HB2 GLU 15 - H THR 62 lone 6 95 - 7 - 5445/4.6=3, 4.6/1469=2 HG2 GLU 64 - H THR 62 lone 4 100 - 4 - 3505/4.6=2 HG3 PRO 37 - H THR 62 lone 4 73 - 5 - HB3 GLU 38 - H THR 62 lone 3 93 - 3 - HB2 LEU 101 - H THR 62 lone 3 68 - 4 - 3.0/7100=1 HB2 GLN 105 - H THR 62 lone 3 100 - 3 - HG3 GLU 69 - H THR 62 lone 2 89 - 2 - Peak 7099 from nnoeabs.peaks (2.32, 8.33, 116.84 ppm; 4.87 A): 6 out of 8 assignments used, quality = 0.90: HB3 PRO 60 + H THR 62 OK 65 100 - 66 - 4.2/285=35, 2.3/7100=29...(7) HG3 GLU 56 + H THR 62 OK 44 99 - 44 - 4.0/8299=20, 8303/4.6=11...(8) HB VAL 120 + H THR 62 OK 24 73 - 33 - ~8060=8, 2.1/1065=7...(7) HB3 GLU 82 + H THR 62 OK 13 87 - 15 - 3.7/1469=9, 4172/4.6=3 HB2 GLU 82 + H THR 62 OK 13 87 - 15 - 3.7/1469=9, 4172/4.6=3 HG2 GLN 16 + H THR 62 OK 11 89 - 12 - 1958/4.6=3, 4.9/1469=3...(4) HG2 PRO 70 - H THR 62 lone 6 65 - 8 - 3.8/7100=4, 280/4.6=1 HB2 LEU 54 - H THR 62 lone 5 98 - 5 - 280/4.6=1, 3447/7100=1 Peak 7100 from nnoeabs.peaks (4.48, 8.33, 116.84 ppm; 3.98 A): 0 out of 7 assignments used, low quality = 0.43: HA PRO 60 - H THR 62 OK 43 97 - 45 - 3.5/285=29, 2.3/7099=9...(6) HA SER 90 - H THR 62 lone 8 92 - 9 - 3.0/286=5, 278/4.6=1 HA PRO 70 - H THR 62 lone 7 100 - 7 - 278/4.6=2, 7024/8299=2 HA ARG 71 - H THR 62 lone 3 100 - 3 - 278/4.6=1 HA LEU 101 - H THR 62 lone 3 95 - 3 - HA PRO 30 - H THR 62 lone 2 76 - 2 - HA LEU 91 - H THR 62 lone 1 65 - 1 - Peak 7121 from nnoeabs.peaks (10.09, 8.44, 121.79 ppm; 4.64 A): 0 out of 1 assignment used, low quality = 0.45: H GLY 61 - H ILE 63 OK 45 100 - 45 - 285/4.6=29, 4.2/7134=5...(7) Peak 7134 from nnoeabs.peaks (2.29, 8.44, 121.79 ppm; 4.92 A): 5 out of 8 assignments used, quality = 0.81: HG3 GLU 56 + H ILE 63 OK 44 78 - 57 - 8303=14, 4.0/8302=13...(14) HB3 PRO 60 + H ILE 63 OK 34 68 - 50 - 4.2/7121=29, 1.8/1071=6...(14) HB VAL 120 + H ILE 63 OK 25 100 - 25 - 2.1/291=7, 6259/3.6=7...(5) HG2 GLN 16 + H ILE 63 OK 24 97 - 25 - 1.8/1966=6, 1958=6...(6) HB2 CYS 87 + H ILE 63 OK 11 71 - 15 - 3.6/288=6, 7539/5.0=4 HG2 GLN 105 - H ILE 63 lone 8 97 - 8 - 3.0/1071=1 HG3 GLN 105 - H ILE 63 lone 8 96 - 8 - 3.0/1071=1 HG3 GLU 94 - H ILE 63 lone 2 71 - 3 - Peak 7155 from nnoeabs.peaks (2.53, 9.24, 127.77 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.89: HG2 GLU 82 + H GLU 64 OK 82 95 - 86 - 1.8/8437=38, 8438=38...(10) HG3 GLN 103 + H GLU 64 OK 33 96 - 35 - 7762/4.6=10, 8649/4.3=6...(11) HE3 LYS 46 + H GLU 64 OK 12 99 - 12 - 8582/4.6=5, 8649/4.3=2...(4) HB3 ASP 36 - H GLU 64 lone 2 87 - 2 - Peak 7156 from nnoeabs.peaks (2.97, 9.24, 127.77 ppm; 5.16 A): 1 out of 6 assignments used, quality = 0.55: HG3 GLU 82 + H GLU 64 OK 55 68 - 81 - 1.8/8438=38, 8437=32...(10) HB3 TYR 102 - H GLU 64 poor 10 73 - 13 - 2.5/1471=5, 4703/4.6=3...(4) HA VAL 110 - H GLU 64 lone 4 98 - 4 - 6213/3.6=1 HB2 ASN 12 - H GLU 64 lone 3 97 - 3 - HE2 LYS 31 - H GLU 64 lone 3 100 - 3 - 7143/4.3=1 HE3 LYS 31 - H GLU 64 lone 3 100 - 3 - 7143/4.3=1 Peak 7159 from nnoeabs.peaks (6.99, 9.24, 127.77 ppm; 4.92 A): 0 out of 3 assignments used, low quality = 0.24: QE PHE 107 - H GLU 64 OK 24 100 - 24 - 2.2/1471=6, 4796/4.3=4...(7) H LEU 101 - H GLU 64 lone 4 83 - 5 - 1729/3.6=2 HD22 ASN 108 - H GLU 64 lone 3 89 - 3 - Peak 7160 from nnoeabs.peaks (8.43, 7.21, 119.71 ppm; 5.06 A): 4 out of 4 assignments used, quality = 0.90: H ILE 63 + H LYS 65 OK 69 100 - 69 - 4.6/299=37, 4.0/7125=19...(7) H GLU 82 + H LYS 65 OK 57 96 - 60 - 5.2/7162=25, 5.2/7444=12...(15) H LEU 51 + H LYS 65 OK 14 96 - 14 - 4.8/6939=3, 4.8/6941=3 H GLN 16 + H LYS 65 OK 12 92 - 13 - 292/4.6=3, 4184/7162=1...(4) Peak 7162 from nnoeabs.peaks (2.94, 7.21, 119.71 ppm; 3.83 A): 1 out of 4 assignments used, quality = 0.55: HG3 GLU 82 + H LYS 65 OK 55 99 - 55 - 1.8/7163=15, 7445=14...(11) HB3 PHE 96 - H LYS 65 lone 6 98 - 6 - ~4708=2 HE3 LYS 32 - H LYS 65 lone 1 90 - 2 - HE2 LYS 32 - H LYS 65 lone 1 89 - 1 - Peak 7163 from nnoeabs.peaks (2.51, 7.21, 119.71 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.92: HG2 GLU 82 + H LYS 65 OK 72 100 - 72 - 1.8/7162=37, 7444=18...(12) HG3 GLN 103 + H LYS 65 OK 57 100 - 57 - 7762=16, 1.8/7761=11...(16) HE3 LYS 46 + H LYS 65 OK 31 71 - 44 - 1.8/8581=8, 3.0/8584=6...(18) Peak 7164 from nnoeabs.peaks (2.35, 7.21, 119.71 ppm; 4.60 A): 5 out of 9 assignments used, quality = 0.91: HB2 GLU 82 + H LYS 65 OK 57 97 - 58 - 3.0/7162=33, 3.0/7163=16...(6) HB3 GLU 82 + H LYS 65 OK 57 97 - 58 - 3.0/7162=33, 3.0/7163=16...(6) HB2 GLN 103 + H LYS 65 OK 39 78 - 50 - 3.0/7163=13, 3.0/7761=10...(12) HB VAL 18 + H LYS 65 OK 14 99 - 14 - 2.1/6350=5, 2.1/6348=3 HG2 PRO 70 + H LYS 65 OK 12 100 - 12 - 2.3/304=2, 4186/7162=1, 7446=1 HB2 LEU 54 - H LYS 65 lone 8 85 - 10 - 3.1/8497=3, 3.1/8433=1, ~7167=1 HG2 GLU 15 - H LYS 65 lone 8 87 - 9 - 1.8/304=2, 3.0/303=1 HG2 MET 11 - H LYS 65 lone 3 63 - 5 - HB3 ASN 118 - H LYS 65 lone 3 100 - 2 - Peak 7165 from nnoeabs.peaks (0.75, 7.21, 119.71 ppm; 3.13 A): 3 out of 7 assignments used, quality = 0.77: QG2 ILE 63 + H LYS 65 OK 61 99 - 62 - 7125=17, 4.3/299=15...(15) QG2 VAL 66 + H LYS 65 OK 31 85 - 37 - 4.0/1472=7, 7194/3.0=6...(11) HG LEU 111 + H LYS 65 OK 14 100 - 14 - 2.1/7889=2, 7166/3.0=2 QD1 LEU 91 - H LYS 65 lone 10 97 - 10 - 7166/3.0=2, 5793/4.6=1 QD2 LEU 93 - H LYS 65 lone 9 100 - 9 - 7166/3.0=1 QD1 LEU 84 - H LYS 65 lone 9 99 - 9 - 2.1/8518=2, 7482/4.6=1 QD2 LEU 111 - H LYS 65 lone 8 81 - 10 - 2.1/7889=2 Peak 7172 from nnoeabs.peaks (4.14, 7.21, 119.71 ppm; 3.74 A): 6 out of 12 assignments used, quality = 0.89: HA ILE 63 + H LYS 65 OK 65 99 - 65 - 3.6/299=29, 7122=14...(11) HA ILE 124 + H LYS 65 OK 26 100 - 26 - 5338/4.0=4, 5338/4.0=4...(12) HB2 SER 113 + H LYS 65 OK 23 98 - 23 - 1.8/1080=4, 4.7/1472=4...(6) HB3 SER 78 + H LYS 65 OK 22 89 - 24 - 1.8/7363=6, 7361=4...(6) HA SER 78 + H LYS 65 OK 18 73 - 24 - 3.0/7363=5, 3.0/7361=4...(8) HA PRO 37 + H LYS 65 OK 13 100 - 13 - 2.3/304=1 HA PHE 83 - H LYS 65 lone 10 100 - 10 - 293/4.6=1, 7459/7162=1 HA ALA 98 - H LYS 65 lone 7 99 - 7 - HA GLU 28 - H LYS 65 lone 6 93 - 6 - 4.0/5673=1, 4.0/5673=1 HA ASN 108 - H LYS 65 lone 6 100 - 6 - HA GLU 56 - H LYS 65 lone 4 71 - 5 - HB3 SER 72 - H LYS 65 lone 2 100 - 2 - Peak 7206 from nnoeabs.peaks (7.41, 9.60, 127.29 ppm; 4.61 A): 4 out of 6 assignments used, quality = 0.91: HD21 ASN 79 + H TYR 67 OK 82 100 - 82 - 8141=49, 1.7/8142=32...(13) H GLU 75 + H TYR 67 OK 29 95 - 31 - 7203/4.3=6, 7306/3.8=6...(9) H PHE 96 + H TYR 67 OK 27 90 - 29 - 1248/3.0=8, 2.9/1095=7...(8) H LYS 32 + H TYR 67 OK 11 100 - 10 - 7203/4.3=2, 1445/8142=2...(4) H SER 72 - H TYR 67 lone 10 97 - 10 - 7285/4.3=3, 7198/4.3=1 HE21 GLN 105 - H TYR 67 lone 3 87 - 4 - Peak 7207 from nnoeabs.peaks (8.11, 9.60, 127.29 ppm; 4.06 A): 3 out of 6 assignments used, quality = 0.80: HD22 ASN 79 + H TYR 67 OK 69 98 - 71 - 1.7/8141=31, 8142=26...(15) H LEU 55 + H TYR 67 OK 23 100 - 23 - 7200/4.3=6, 7196/4.3=4...(7) H GLY 39 + H TYR 67 OK 17 83 - 20 - 8142=5, 4816/4.5=3...(7) H THR 33 - H TYR 67 lone 9 92 - 9 - 128/8141=2, 7200/4.3=2...(4) H LEU 24 - H TYR 67 lone 5 63 - 8 - 1572/3.6=1, 7196/4.3=1 H GLN 105 - H TYR 67 lone 3 63 - 5 - 4816/4.5=1 Peak 7208 from nnoeabs.peaks (0.93, 9.60, 127.29 ppm; 4.74 A): 7 out of 11 assignments used, quality = 0.84: QD1 ILE 63 + H TYR 67 OK 40 93 - 43 - 3.2/319=8, 7146/3.6=7...(11) QG2 VAL 49 + H TYR 67 OK 31 99 - 31 - 7192/4.3=7, 7178/4.3=7...(6) QG2 ILE 22 + H TYR 67 OK 25 100 - 25 - 2155/3.6=4, 7192/4.3=3...(10) QD1 LEU 55 + H TYR 67 OK 18 99 - 19 - 4.6/7207=5, ~8296=2...(7) QD1 LEU 117 + H TYR 67 OK 18 87 - 20 - 7192/4.3=4, 7178/4.3=4...(7) HB2 GLN 42 + H TYR 67 OK 17 97 - 17 - 6774/4.5=5, 3.0/317=2...(9) QG2 VAL 115 + H TYR 67 OK 10 100 - 10 - 7381/8141=1, 7975/3.6=1 QD2 LEU 27 - H TYR 67 lone 9 100 - 9 - 7192/4.3=1, 6534/4.5=1...(4) QD1 LEU 27 - H TYR 67 lone 9 100 - 9 - 7177/4.5=1, 7192/4.3=1 QD1 LEU 41 - H TYR 67 lone 9 100 - 9 - 8412/4.4=1, 7177/4.5=1 QD1 LEU 126 - H TYR 67 lone 6 85 - 7 - 5411/3.6=2 Peak 7209 from nnoeabs.peaks (3.93, 9.60, 127.29 ppm; 4.67 A): 2 out of 13 assignments used, quality = 0.99: HD3 PRO 68 + H TYR 67 OK 94 96 - 98 - 4.8=92, 8314/3.0=16...(13) HD2 PRO 68 + H TYR 67 OK 91 93 - 98 - 4.8=92, 8314/3.0=16...(13) HA ALA 43 - H TYR 67 OK 10 99 - 10 - 3.6/315=2, 5572/4.4=2...(4) HA SER 74 - H TYR 67 poor 10 78 - 12 - 3.6/7206=5, 7298/4.3=3 HA THR 23 - H TYR 67 lone 6 99 - 6 - 7175/3.6=2, 3.6/7207=1 HA ARG 85 - H TYR 67 lone 5 100 - 5 - 6158/4.4=1 HB THR 62 - H TYR 67 lone 4 96 - 4 - HA2 GLY 25 - H TYR 67 lone 3 99 - 3 - HA ILE 34 - H TYR 67 lone 2 76 - 3 - HA2 GLY 2 - H TYR 67 lone 1 76 - 2 - HA3 GLY 2 - H TYR 67 lone 1 76 - 2 - HA3 GLY 125 - H TYR 67 lone 1 68 - 2 - HA2 GLY 125 - H TYR 67 lone 1 68 - 2 - Peak 7240 from nnoeabs.peaks (0.92, 8.26, 117.58 ppm; 4.09 A): 8 out of 11 assignments used, quality = 0.86: QG2 VAL 49 + H GLU 69 OK 47 100 - 47 - 2.1/3037=11, 3042=9...(11) QG2 VAL 115 + H GLU 69 OK 23 100 - 23 - 2.1/1104=4, 3.2/7244=4...(7) QD1 LEU 55 + H GLU 69 OK 23 93 - 24 - 2.1/324=6, 3042=4...(8) QD1 LEU 117 + H GLU 69 OK 18 96 - 19 - 6906/4.8=3, 7262/4.8=3...(7) QD2 LEU 27 + H GLU 69 OK 16 100 - 16 - 6532/4.8=5, 7262/4.8=2 QD1 LEU 41 + H GLU 69 OK 16 97 - 16 - 2.1/1102=3, 7262/4.8=2...(4) QG2 ILE 22 + H GLU 69 OK 14 100 - 14 - 3.2/1102=2, 7263/4.8=1...(6) QD1 ILE 63 + H GLU 69 OK 13 83 - 16 - 2.1/1102=3, 7262/4.8=2...(6) QD1 LEU 27 - H GLU 69 lone 10 100 - 10 - 7263/4.8=2, 7262/4.8=2 HB2 GLN 42 - H GLU 69 lone 7 100 - 7 - 6013/4.8=2 QD1 LEU 126 - H GLU 69 lone 6 95 - 6 - 5411/3.6=1 Peak 7241 from nnoeabs.peaks (0.71, 8.26, 117.58 ppm; 5.02 A): 5 out of 6 assignments used, quality = 0.84: QG1 VAL 66 + H GLU 69 OK 61 97 - 64 - 7201=19, 7223/3.6=18...(15) HG3 GLU 75 + H GLU 69 OK 27 100 - 27 - 7223/3.6=6, 7227/3.9=4...(8) QD1 LEU 114 + H GLU 69 OK 25 89 - 28 - 7223/3.6=8, 7227/3.9=8...(6) QD1 LEU 77 + H GLU 69 OK 14 87 - 16 - 7223/3.6=4, 7227/3.9=3...(4) QD2 LEU 54 + H GLU 69 OK 14 100 - 14 - 7223/3.6=3, 7227/3.9=3...(4) QD2 LEU 111 - H GLU 69 lone 4 68 - 5 - 4.0/7244=2 Peak 7242 from nnoeabs.peaks (2.85, 8.26, 117.58 ppm; 4.38 A): 3 out of 10 assignments used, quality = 0.73: HB2 TYR 67 + H GLU 69 OK 40 92 - 44 - 3.0/8736=24, 4.8/326=10...(4) HB3 TYR 67 + H GLU 69 OK 40 92 - 44 - 3.0/8736=24, 4.8/326=10...(4) HB2 ASN 79 + H GLU 69 OK 23 97 - 24 - 3.5/8144=7, 8323/4.8=5...(5) HB2 ASN 99 - H GLU 69 lone 5 95 - 6 - HB3 PHE 107 - H GLU 69 lone 5 97 - 5 - 8323/4.8=1 HE3 LYS 119 - H GLU 69 lone 4 99 - 4 - HE2 LYS 119 - H GLU 69 lone 4 98 - 4 - HG CYS 52 - H GLU 69 lone 4 100 - 4 - HB2 ASP 36 - H GLU 69 lone 2 95 - 2 - HB3 ASN 12 - H GLU 69 lone 2 57 - 3 - Peak 7243 from nnoeabs.peaks (3.47, 8.26, 117.58 ppm; 3.96 A): 3 out of 4 assignments used, quality = 0.94: HD3 PRO 70 + H GLU 69 OK 90 99 - 91 - 4.8=56, 1.8/7244=23...(15) HA VAL 18 + H GLU 69 OK 25 96 - 26 - 3795/4.8=5, 7245/3.0=4...(10) HB2 SER 44 + H GLU 69 OK 22 97 - 22 - 7251/3.6=3, 3795/4.8=3...(8) HB3 SER 44 - H GLU 69 lone 6 57 - 10 - ~6875=2, ~7245=2...(4) Peak 7244 from nnoeabs.peaks (3.61, 8.26, 117.58 ppm; 3.83 A): 2 out of 7 assignments used, quality = 0.91: HD2 PRO 70 + H GLU 69 OK 89 100 - 89 - 4.8=51, 1.8/7243=23...(15) HA VAL 115 + H GLU 69 OK 19 100 - 19 - 3.0/1104=3, 3.2/7240=3...(6) HA2 GLY 39 - H GLU 69 poor 10 99 - 10 - 3801/4.8=3, 2.9/8144=2 HA GLU 75 - H GLU 69 poor 10 65 - 15 - 3.6/7241=3, 3801/4.8=2...(6) HA ILE 80 - H GLU 69 poor 9 73 - 12 - 4.0/1104=3, 3.0/1103=2...(4) HA LYS 46 - H GLU 69 poor 9 71 - 12 - 3.6/6894=5, 3.0/322=1...(4) HA LEU 111 - H GLU 69 lone 9 100 - 9 - 3801/4.8=1 Peak 7279 from nnoeabs.peaks (1.46, 9.10, 121.85 ppm; 4.42 A): 6 out of 15 assignments used, quality = 0.95: HB3 GLU 75 + H ARG 71 OK 83 100 - 83 - 8334=37, 1.8/8335=33...(13) HB3 LEU 101 + H ARG 71 OK 34 90 - 37 - 1.8/329=7, 7257/3.9=7...(11) HB3 LEU 45 + H ARG 71 OK 24 100 - 24 - 3.0/1108=3, 2895/4.0=3...(12) HG3 LYS 31 + H ARG 71 OK 18 99 - 18 - 2.9/3854=5, 7284/4.6=3...(6) HB3 LEU 91 + H ARG 71 OK 14 68 - 21 - 4387/3.0=2, ~4380=2...(11) HD2 LYS 46 + H ARG 71 OK 11 100 - 11 - 7253/3.9=1 HG3 ARG 57 - H ARG 71 lone 8 96 - 8 - 3.0/8415=1, 3957/8335=1 QB ALA 14 - H ARG 71 lone 6 97 - 7 - 7253/3.9=1 HG2 LYS 119 - H ARG 71 lone 5 100 - 5 - HB2 LEU 93 - H ARG 71 lone 5 97 - 5 - 7253/3.9=1 HD2 LYS 65 - H ARG 71 lone 4 96 - 4 - HD3 LYS 65 - H ARG 71 lone 4 96 - 4 - HG LEU 24 - H ARG 71 lone 4 100 - 4 - QB ALA 89 - H ARG 71 lone 3 92 - 4 - HG2 LYS 109 - H ARG 71 lone 2 71 - 3 - Peak 7280 from nnoeabs.peaks (2.84, 9.10, 121.85 ppm; 4.58 A): 5 out of 10 assignments used, quality = 0.71: HB2 ASN 79 + H ARG 71 OK 36 100 - 36 - 7259/3.9=9, 7255/3.9=8...(10) HB2 TYR 67 + H ARG 71 OK 25 100 - 25 - 7259/3.9=5, 8312/3.5=4...(9) HB3 TYR 67 + H ARG 71 OK 25 100 - 25 - 7259/3.9=5, 8312/3.5=4...(9) HB2 CYS 76 + H ARG 71 OK 11 78 - 14 - 7255/3.9=5, 7259/3.9=4...(4) HB3 PHE 107 + H ARG 71 OK 11 100 - 10 - ~4772=3, 7259/3.9=2...(4) HB2 ASN 99 - H ARG 71 lone 6 100 - 6 - 7259/3.9=1 HB2 ASP 36 - H ARG 71 lone 3 100 - 3 - HE3 LYS 119 - H ARG 71 lone 2 81 - 3 - HE2 LYS 119 - H ARG 71 lone 2 78 - 3 - HG CYS 52 - H ARG 71 lone 2 97 - 2 - Peak 7284 from nnoeabs.peaks (1.45, 7.42, 111.59 ppm; 4.15 A): 5 out of 30 assignments used, quality = 0.74: HB3 GLU 75 + H SER 72 OK 49 100 - 49 - 8334/4.6=18, 3.0/7285=8...(10) HG3 LYS 31 + H SER 72 OK 24 98 - 25 - 1.8/5520=5, 2.9/5519=5...(8) HB3 LEU 45 + H SER 72 OK 15 100 - 15 - 2893/4.7=2, 2893/4.7=2...(7) HB3 GLU 75 + HE21 GLN 105 OK 13 91 - 14 - 3.0/7285=3, 3.0/7287=2...(6) HB3 LEU 101 + H SER 72 OK 11 92 - 12 - 7279/4.6=3, 4659/3.6=3 HB3 LEU 91 - H SER 72 poor 7 71 - 10 - 4387/3.6=2, 4388/4.3=1...(4) HD2 LYS 46 - H SER 72 lone 7 100 - 7 - 7279/4.6=1 HB2 LEU 93 - HE21 GLN 105 lone 6 86 - 7 - 3.0/768=2, 8520/3.5=1 HG3 LYS 31 - HE21 GLN 105 lone 5 88 - 6 - 1.8/5520=1, 2.9/5519=1 HG3 ARG 57 - HE21 GLN 105 lone 5 83 - 6 - 3.0/770=1, 3326/4.5=1 HG3 ARG 57 - H SER 72 lone 5 95 - 5 - HG2 LYS 119 - H SER 72 lone 4 99 - 4 - HB2 LEU 93 - H SER 72 lone 3 97 - 3 - QB ALA 14 - H SER 72 lone 3 97 - 3 - HB3 LEU 101 - HE21 GLN 105 lone 3 80 - 3 - HG LEU 24 - H SER 72 lone 3 100 - 3 - HD2 LYS 65 - H SER 72 lone 2 97 - 2 - HD3 LYS 65 - H SER 72 lone 2 97 - 2 - HG LEU 24 - HE21 GLN 105 lone 2 91 - 2 - HB3 LEU 45 - HE21 GLN 105 lone 2 91 - 2 - HD2 LYS 46 - HE21 GLN 105 lone 2 91 - 2 - QB ALA 89 - H SER 72 lone 2 93 - 2 - HG2 LYS 109 - H SER 72 lone 2 68 - 2 - QB ALA 14 - HE21 GLN 105 lone 1 86 - 2 - HG2 LYS 119 - HE21 GLN 105 lone 1 90 - 1 - HB3 LEU 91 - HE21 GLN 105 lone 1 60 - 2 - HD2 LYS 65 - HE21 GLN 105 lone 1 86 - 1 - HD3 LYS 65 - HE21 GLN 105 lone 1 86 - 1 - QB ALA 89 - HE21 GLN 105 lone 1 82 - 1 - HG2 LYS 109 - HE21 GLN 105 lone 1 57 - 1 - Peak 7285 from nnoeabs.peaks (0.71, 7.42, 111.59 ppm; 4.97 A): 3 out of 12 assignments used, quality = 0.48: HG3 GLU 75 + H SER 72 OK 33 97 - 34 - 3.0/7284=11, 3.6/7287=9...(6) QG1 VAL 66 + H SER 72 OK 13 89 - 15 - 7203=4, 4.3/7206=2, 2.1/7198=1 HG3 GLU 75 + HE21 GLN 105 OK 11 87 - 13 - 3.6/7287=3, 3.0/7284=3...(6) QD1 LEU 114 - H SER 72 lone 6 97 - 6 - 2.1/336=1 QD1 LEU 77 - H SER 72 lone 6 73 - 8 - 4.7/1651=1 QD2 LEU 54 - H SER 72 lone 5 99 - 5 - QG1 VAL 66 - HE21 GLN 105 lone 4 77 - 5 - 7203=1 QD1 LEU 114 - HE21 GLN 105 lone 3 86 - 4 - QD2 LEU 111 - H SER 72 lone 3 83 - 4 - QD2 LEU 54 - HE21 GLN 105 lone 3 90 - 3 - QD1 LEU 77 - HE21 GLN 105 lone 2 62 - 4 - 5732/6.3=1 QD2 LEU 111 - HE21 GLN 105 lone 2 71 - 2 - Peak 7287 from nnoeabs.peaks (3.59, 7.42, 111.59 ppm; 5.14 A): 4 out of 14 assignments used, quality = 0.75: HA GLU 75 + H SER 72 OK 47 100 - 47 - 3.6/7285=11, 3.0/7284=11...(11) HD2 PRO 70 + H SER 72 OK 34 78 - 43 - 3.0/7269=10, 3.6/335=8...(8) HA GLU 75 + HE21 GLN 105 OK 16 91 - 17 - 3.6/7285=4, 3.0/7284=3...(7) HD2 PRO 70 + HE21 GLN 105 OK 16 67 - 23 - 3.0/7269=4, 7276=4...(9) HA LEU 111 - H SER 72 lone 5 87 - 6 - 4.0/7285=1 HA2 GLY 48 - H SER 72 lone 5 99 - 5 - 3.6/6910=1 HA2 GLY 39 - H SER 72 lone 5 92 - 5 - HA2 GLY 39 - HE21 GLN 105 lone 4 80 - 4 - 2729/6.3=1 HA2 GLY 48 - HE21 GLN 105 lone 3 90 - 3 - HA LEU 111 - HE21 GLN 105 lone 3 75 - 4 - HA VAL 115 - H SER 72 lone 3 63 - 4 - HA LEU 51 - H SER 72 lone 2 60 - 3 - HA VAL 115 - HE21 GLN 105 lone 1 53 - 2 - HA LEU 51 - HE21 GLN 105 lone 1 50 - 2 - Peak 7297 from nnoeabs.peaks (0.70, 8.35, 111.98 ppm; 4.64 A): 6 out of 10 assignments used, quality = 0.92: QD1 LEU 77 + H SER 74 OK 73 99 - 73 - 7298/2.9=20, ~6089=12...(17) HG3 GLU 75 + H SER 74 OK 42 99 - 42 - 5.1/352=17, 7298/2.9=9...(10) QG1 VAL 66 + H SER 74 OK 19 100 - 19 - 7203/4.7=6, 7298/2.9=4...(4) QD2 LEU 54 + H SER 74 OK 19 97 - 19 - 7439/4.2=4, 1133/4.7=4...(5) QD1 LEU 77 + H GLY 125 OK 13 66 - 19 - 7353/3.0=5, 7353/3.0=5...(6) QD1 LEU 114 + H SER 74 OK 10 63 - 16 - 2.1/5896=2, 1133/4.7=2...(8) HG3 GLU 75 - H GLY 125 lone 3 66 - 4 - 5.1/352=2 QG1 VAL 66 - H GLY 125 lone 2 69 - 3 - QD2 LEU 54 - H GLY 125 lone 2 63 - 2 - QD1 LEU 114 - H GLY 125 lone 1 36 - 2 - Peak 7304 from nnoeabs.peaks (2.12, 7.40, 122.83 ppm; 4.90 A): 3 out of 6 assignments used, quality = 0.83: HB3 PRO 70 + H GLU 75 OK 71 93 - 76 - 3.9/8336=29, 1.8/7305=15...(16) HB2 PRO 30 + H GLU 75 OK 32 89 - 37 - 6582=6, 2.3/6581=6...(12) HB2 LEU 101 + H GLU 75 OK 13 87 - 15 - 1.8/1131=3, ~3951=2...(5) HG3 GLU 69 - H GLU 75 poor 8 65 - 12 - 3.0/1132=2, ~7250=2...(4) HB3 GLU 15 - H GLU 75 lone 7 87 - 8 - 3.0/7305=3, ~7310=2, 1921/7305=1 HB VAL 115 - H GLU 75 lone 6 87 - 7 - 4.0/352=2 Peak 7305 from nnoeabs.peaks (2.25, 7.40, 122.83 ppm; 4.83 A): 7 out of 13 assignments used, quality = 0.93: HB2 PRO 70 + H GLU 75 OK 77 100 - 77 - 3.9/8336=28, 1.8/7304=20...(16) HG3 GLU 38 + H GLU 75 OK 23 99 - 23 - 4.0/1643=7, 5.0/1645=5...(6) HG2 GLU 38 + H GLU 75 OK 23 99 - 23 - 4.0/1643=7, 5.0/1645=5...(6) HG3 GLU 15 + H GLU 75 OK 18 100 - 18 - 6321/4.0=5, 6322/4.0=4...(7) HB3 LEU 117 + H GLU 75 OK 17 92 - 19 - 1.8/1130=3, 7316/4.0=3...(7) HB2 PRO 68 + H GLU 75 OK 15 93 - 17 - 7227/5.1=3, ~7224=3...(5) HG2 GLU 56 + H GLU 75 OK 11 100 - 11 - 7316/4.0=1, 3.0/1132=1 HB2 CYS 87 - H GLU 75 lone 6 81 - 7 - 3.0/1643=2 HG3 GLU 28 - H GLU 75 lone 5 90 - 6 - 5.1/1645=1 HG2 GLU 28 - H GLU 75 lone 5 87 - 5 - 5.1/1645=1 HG2 GLU 94 - H GLU 75 lone 4 98 - 5 - 5.0/1498=1 HG3 GLU 64 - H GLU 75 lone 4 97 - 4 - HG3 GLU 94 - H GLU 75 lone 3 81 - 3 - 5.0/1498=1 Peak 7306 from nnoeabs.peaks (2.84, 7.40, 122.83 ppm; 4.75 A): 4 out of 10 assignments used, quality = 0.94: HB2 TYR 67 + H GLU 75 OK 54 100 - 54 - ~8329=12, ~4686=11...(13) HB3 TYR 67 + H GLU 75 OK 54 100 - 54 - ~8329=12, ~4686=11...(13) HB2 ASN 79 + H GLU 75 OK 52 100 - 52 - 1.8/4060=7, 3.0/4048=6...(19) HB2 CYS 76 + H GLU 75 OK 35 76 - 47 - 4.0/1478=22, 3.0/7330=11...(9) HB3 PHE 107 - H GLU 75 OK 17 100 - 17 - ~8329=5, 7317/4.0=3...(5) HB2 ASN 99 - H GLU 75 OK 14 100 - 14 - ~6098=3, 7317/4.0=2...(5) HG CYS 52 - H GLU 75 lone 6 97 - 6 - 5.4/1478=2 HB2 ASP 36 - H GLU 75 lone 6 100 - 6 - HE3 LYS 119 - H GLU 75 lone 3 83 - 4 - HE2 LYS 119 - H GLU 75 lone 3 81 - 4 - Peak 7307 from nnoeabs.peaks (4.13, 7.40, 122.83 ppm; 5.03 A): 7 out of 12 assignments used, quality = 0.88: HB3 SER 72 + H GLU 75 OK 45 100 - 45 - 7281/4.7=18, 3902=8...(8) HB3 SER 78 + H GLU 75 OK 41 97 - 42 - 6097/2.9=16, ~6095=13...(5) HA PRO 37 + H GLU 75 OK 35 99 - 35 - 3.6/1645=7, 6096/2.9=7...(9) HB2 SER 113 + H GLU 75 OK 20 90 - 22 - 4.0/1478=8, 5048/4.6=5...(4) HA ARG 57 + H GLU 75 OK 15 76 - 20 - 3.0/1132=5, 6096/2.9=5...(7) HA ILE 124 + H GLU 75 OK 11 100 - 11 - 5935/4.7=4, 3.6/352=4 HA ILE 63 + H GLU 75 OK 10 100 - 10 - 6096/2.9=2, 3.7/1132=1 HA PHE 83 - H GLU 75 lone 8 97 - 8 - ~6098=2, 3.6/1645=2, 6096/2.9=1 HA GLU 28 - H GLU 75 lone 7 81 - 8 - 3.0/1645=2, ~6092=1 HA ALA 98 - H GLU 75 lone 6 100 - 6 - 6096/2.9=1 HA3 GLY 25 - H GLU 75 lone 6 76 - 8 - 1.8/353=2, ~6098=2, 6096/2.9=1 HA ASN 108 - H GLU 75 lone 4 99 - 4 - 6096/2.9=1 Peak 7321 from nnoeabs.peaks (2.11, 7.56, 117.77 ppm; 4.58 A): 6 out of 20 assignments used, quality = 0.87: HB3 PRO 70 + H CYS 76 OK 65 100 - 65 - 1.8/8318=17, 8319/2.9=11...(13) HB2 LEU 114 + H SER 113 OK 30 62 - 49 - 4.0/576=13, 3.1/7957=10...(9) HB2 LEU 114 + H CYS 76 OK 20 73 - 27 - 4.0/576=5, 3.1/7957=5...(8) HB3 PRO 70 + H SER 113 OK 13 91 - 14 - 1.8/8318=4, 7304/1478=1 HG LEU 21 + H CYS 76 OK 12 76 - 15 - 2.1/6394=5, 4.7/60=3, 2.1/6399=3 HB2 LEU 101 + H CYS 76 OK 10 99 - 10 - 7315/4.3=2, 7304/4.6=2...(4) HB2 PRO 30 - H CYS 76 poor 9 60 - 15 - 7304/4.6=5, 3.9/1479=2...(5) HG3 GLU 69 - H CYS 76 lone 8 92 - 9 - 7249/3.6=1, 7315/4.3=1...(4) HB2 GLN 105 - H CYS 76 poor 8 60 - 13 - 1.8/360=2, 4.0/1649=2...(6) HB2 PRO 30 - H SER 113 poor 7 50 - 15 - 3.0/1648=1, ~6607=1...(6) HB2 GLU 15 - H CYS 76 lone 7 85 - 9 - 7315/4.3=2, 3.0/7322=2...(4) HG LEU 21 - H SER 113 poor 7 64 - 10 - 2.1/6394=2, 2.1/6399=2, 4.7/60=2 HB2 LEU 101 - H SER 113 lone 6 90 - 6 - HB3 GLN 16 - H CYS 76 lone 4 68 - 6 - HB2 GLN 16 - H CYS 76 lone 4 65 - 6 - HB3 GLN 16 - H SER 113 lone 4 57 - 7 - 3.0/6210=1, 4.1/1516=1 HB2 GLN 16 - H SER 113 lone 4 55 - 7 - 3.0/6210=1, 4.1/1516=1 HB2 GLU 15 - H SER 113 lone 3 73 - 4 - HG3 GLU 69 - H SER 113 lone 3 80 - 4 - HB2 GLN 105 - H SER 113 lone 2 50 - 4 - Peak 7322 from nnoeabs.peaks (2.25, 7.56, 117.77 ppm; 4.70 A): 8 out of 26 assignments used, quality = 0.90: HB2 PRO 70 + H CYS 76 OK 68 100 - 68 - 8318=21, 8320/2.9=16...(12) HG3 GLU 38 + H CYS 76 OK 22 99 - 23 - 4.0/1648=5, 5.0/1479=4...(8) HG2 GLU 38 + H CYS 76 OK 22 99 - 23 - 4.0/1648=5, 5.0/1479=4...(9) HB2 PRO 70 + H SER 113 OK 14 91 - 15 - 8318=5, 1.8/7321=2...(5) HB3 LEU 117 + H SER 113 OK 13 80 - 17 - 6240/4.0=5, 4.0/1782=2...(5) HG3 GLU 15 + H CYS 76 OK 13 100 - 13 - 6321/4.3=4, 6322/4.3=4...(4) HB3 LEU 117 + H CYS 76 OK 12 92 - 13 - 7316/4.3=2, 7305/4.6=2...(6) HB2 PRO 68 + H CYS 76 OK 11 93 - 12 - 7316/4.3=2, 7305/4.6=2 HG2 GLU 56 - H SER 113 poor 10 91 - 11 - 5636=2, 1.8/5637=2...(4) HB2 PRO 68 - H SER 113 poor 9 81 - 12 - 1.8/7929=2, 2.3/7929=1, ~7940=1 HG2 GLU 56 - H CYS 76 lone 8 100 - 8 - 7305/4.6=1, 7316/4.3=1 HG3 GLU 38 - H SER 113 lone 7 89 - 7 - 4.0/1648=2, 5.0/1479=1 HG2 GLU 38 - H SER 113 lone 7 88 - 7 - 4.0/1648=2, 5.0/1479=1 HG3 GLU 28 - H CYS 76 lone 5 90 - 5 - HG2 GLU 28 - H CYS 76 lone 5 87 - 5 - HG3 GLU 15 - H SER 113 lone 4 91 - 5 - HB2 CYS 87 - H CYS 76 lone 4 81 - 5 - 3.0/1648=1 HG2 GLU 94 - H SER 113 lone 4 88 - 5 - HG2 GLU 94 - H CYS 76 lone 4 98 - 4 - HB2 CYS 87 - H SER 113 lone 3 68 - 5 - 3.0/1648=1 HG3 GLU 64 - H CYS 76 lone 3 97 - 3 - HG3 GLU 94 - H SER 113 lone 3 68 - 4 - HG3 GLU 28 - H SER 113 lone 2 78 - 3 - HG3 GLU 94 - H CYS 76 lone 2 81 - 3 - HG2 GLU 28 - H SER 113 lone 2 75 - 3 - HG3 GLU 64 - H SER 113 lone 2 85 - 2 - Peak 7323 from nnoeabs.peaks (1.23, 7.56, 117.77 ppm; 4.57 A): 8 out of 14 assignments used, quality = 0.84: HG LEU 77 + H CYS 76 OK 32 100 - 32 - 5.0/362=15, 8339/4.0=6...(5) HB3 LEU 111 + H SER 113 OK 30 78 - 38 - 4.6/1515=14, 3.8/1752=9...(7) HG13 ILE 124 + H SER 113 OK 25 87 - 29 - 8117/3.0=7, ~8126=6...(8) HG2 LYS 32 + H CYS 76 OK 16 93 - 18 - 1142/4.6=3, 2515/4.6=3...(7) HB3 LEU 111 + H CYS 76 OK 16 90 - 18 - 3.0/6218=4, 4.6/1515=4...(6) HG2 LYS 32 + H SER 113 OK 15 81 - 18 - 2516/3.0=3, ~2526=2...(7) HB3 LEU 24 + H CYS 76 OK 14 97 - 15 - 1142/4.6=4, 3.9/1649=3...(6) HG LEU 77 + H SER 113 OK 13 91 - 14 - 5.0/362=4, 568/4.6=2...(5) HG13 ILE 124 - H CYS 76 lone 8 97 - 8 - 1142/4.6=1, 8339/4.0=1 QG2 VAL 18 - H SER 113 poor 8 62 - 12 - 568/4.6=4, 4.3/572=2 HB3 LEU 24 - H SER 113 lone 7 85 - 9 - 568/4.6=1 QG2 VAL 18 - H CYS 76 lone 7 73 - 9 - 8393/2.9=2, 1142/4.6=1 QG2 THR 19 - H SER 113 poor 6 52 - 11 - 4.2/836=3, 4.0/572=2...(4) QG2 THR 19 - H CYS 76 lone 6 63 - 9 - 4.2/836=3, 8339/4.0=2 Peak 7324 from nnoeabs.peaks (0.71, 7.56, 117.77 ppm; 4.63 A): 7 out of 12 assignments used, quality = 0.95: QD1 LEU 114 + H SER 113 OK 45 85 - 52 - 2.1/7957=12, 4.4/576=12...(11) HG3 GLU 75 + H CYS 76 OK 34 97 - 35 - 5.1/1478=16, 3.0/358=11...(4) QD1 LEU 114 + H CYS 76 OK 33 97 - 34 - 2.1/7957=6, 4.4/576=4...(11) QD2 LEU 54 + H CYS 76 OK 33 99 - 33 - 3953/3.6=5, 6980=5...(9) QG1 VAL 66 + H CYS 76 OK 33 89 - 37 - 2.1/7197=6, 7203/4.6=5...(11) QD1 LEU 77 + H CYS 76 OK 32 73 - 44 - 4.7/362=17, 2.1/7323=6...(10) QD2 LEU 111 + H SER 113 OK 30 71 - 43 - 4.7/1752=8, 4.0/6218=8...(13) HG3 GLU 75 - H SER 113 OK 24 87 - 28 - 3.6/5719=6, 5.1/1478=6...(5) QG1 VAL 66 - H SER 113 OK 19 76 - 25 - 2.1/7197=6, 3670/4.6=5...(4) QD2 LEU 54 - H SER 113 OK 17 90 - 19 - 2.1/6976=3, 6980=2...(6) QD2 LEU 111 - H CYS 76 OK 13 83 - 16 - 4.0/6218=3, 4.7/1752=3...(4) QD1 LEU 77 - H SER 113 poor 9 62 - 15 - 4.7/362=5, 2.1/7323=2, 6980=1 Peak 7335 from nnoeabs.peaks (6.87, 8.51, 117.70 ppm; 5.02 A): 2 out of 5 assignments used, quality = 0.72: QE TYR 102 + H LEU 77 OK 66 100 - 66 - 4750/4.7=21, 7329/4.7=20...(7) HZ3 TRP 20 + H LEU 77 OK 18 73 - 25 - 2.5/362=6, 7334/4.7=5...(7) HE22 GLN 103 - H LEU 77 poor 8 65 - 12 - 7338/4.7=6, 7340/4.7=3 HE22 GLN 105 - H LEU 77 lone 7 81 - 9 - 7329/4.7=2, 7334/4.7=2...(4) H LYS 46 - H LEU 77 poor 7 63 - 11 - 7338/4.7=4, 7340/4.7=2 Peak 7356 from nnoeabs.peaks (1.86, 8.51, 117.70 ppm; 4.96 A): 9 out of 15 assignments used, quality = 0.86: HB3 LYS 31 + H LEU 77 OK 31 76 - 41 - 1.8/1141=9, 4.7/1651=7...(13) HG3 GLU 73 + H LEU 77 OK 27 81 - 34 - 4.1/6084=14, 8740/4.7=7...(6) HG2 GLU 73 + H LEU 77 OK 27 78 - 34 - 4.1/6084=14, 8740/4.7=7...(6) HG LEU 55 + H LEU 77 OK 21 78 - 27 - 3.0/1141=8, 7233/4.7=6...(6) HB VAL 50 + H LEU 77 OK 18 76 - 24 - 2.1/1143=9, ~3995=5...(5) HB3 GLU 28 + H LEU 77 OK 13 99 - 13 - 1.8/2310=2, 3.0/2304=2...(5) HB2 LYS 119 + H LEU 77 OK 13 76 - 17 - 3.0/1139=3, ~6108=2...(7) HG LEU 84 + H LEU 77 OK 12 68 - 17 - 2.1/4260=2, 3.0/4246=2...(7) HG12 ILE 22 + H LEU 77 OK 11 95 - 12 - ~5982=2, ~6108=2...(4) HG LEU 41 - H LEU 77 poor 9 63 - 14 - 6751/4.0=4, 5.2/161=2...(5) HG3 PRO 68 - H LEU 77 lone 7 99 - 7 - 7233/4.7=3 HB2 LEU 58 - H LEU 77 lone 4 97 - 4 - HB3 LYS 109 - H LEU 77 lone 4 100 - 4 - HB2 GLU 69 - H LEU 77 lone 3 65 - 4 - ~8340=1 HB2 ARG 92 - H LEU 77 lone 2 93 - 2 - Peak 7359 from nnoeabs.peaks (7.22, 8.07, 113.93 ppm; 5.34 A): 5 out of 6 assignments used, quality = 0.89: QD TYR 67 + H SER 78 OK 58 81 - 73 - 2.2/7360=25, 7363/3.9=16...(10) QD TYR 102 + H SER 78 OK 35 100 - 35 - 7337/371=6, 7378/4.6=6...(9) H LYS 65 + H SER 78 OK 35 99 - 35 - 7363/3.9=6, 7378/4.6=6...(7) QE PHE 40 + H SER 78 OK 28 100 - 28 - 6.5/1582=5, 5.6/1655=5...(9) H VAL 26 + H SER 78 OK 16 63 - 25 - 4.6/1481=7, 3.6/1658=6...(6) QE PHE 96 - H SER 78 poor 9 73 - 12 - 4705/3.9=2, 7378/4.6=2...(4) Peak 7360 from nnoeabs.peaks (6.80, 8.07, 113.93 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.82: QE TYR 67 + H SER 78 OK 67 95 - 71 - 4817=20, 7362/3.9=17...(9) H VAL 110 + H SER 78 OK 30 96 - 32 - 7362/3.9=8, 7364/3.9=7...(5) HH2 TRP 20 + H SER 78 OK 22 99 - 22 - 7364/3.9=4, 7379/4.6=4...(6) Peak 7369 from nnoeabs.peaks (2.17, 7.84, 119.43 ppm; 5.18 A): 2 out of 5 assignments used, quality = 0.62: HG12 ILE 80 + H ASN 79 OK 57 99 - 58 - 5.1/1482=19, 2.1/7371=13...(8) HB VAL 49 + H ASN 79 OK 12 89 - 13 - 2.1/7372=4, 2.1/7372=4 HB2 GLU 73 - H ASN 79 poor 9 83 - 11 - 1159/4.7=3, 4.2/1482=2...(4) HG2 GLU 69 - H ASN 79 poor 9 81 - 11 - 1159/4.7=3, 3.0/7370=2 HB VAL 26 - H ASN 79 lone 7 71 - 10 - 4.4/6540=3, 3.9/90=3, 2.1/8228=2 Peak 7370 from nnoeabs.peaks (1.93, 7.84, 119.43 ppm; 4.91 A): 5 out of 19 assignments used, quality = 0.89: HB ILE 80 + H ASN 79 OK 71 97 - 73 - 4.4/1664=26, 3.9/1482=23...(10) HB2 ARG 81 + H ASN 79 OK 35 73 - 48 - 4.0/1664=29, 4.3/1485=11...(5) HB3 ARG 85 + H ASN 79 OK 17 92 - 19 - 4.0/1691=4, 3.0/6157=4...(7) HB2 ARG 85 + H ASN 79 OK 17 92 - 19 - 4.0/1691=4, 3.0/6157=4...(7) HB2 GLU 38 + H ASN 79 OK 16 98 - 16 - 4.4/1154=6, 3.8/1661=4...(4) HB2 LEU 84 - H ASN 79 OK 15 60 - 25 - 4.0/404=7, 4.3/1691=4...(7) HB3 GLU 69 - H ASN 79 OK 12 97 - 13 - 4.8/1663=5, 3.0/7369=3 HB3 GLU 73 - H ASN 79 OK 12 81 - 15 - 1.8/7369=4, 1157/4.7=2...(4) HB2 LYS 109 - H ASN 79 OK 12 100 - 12 - 4.6/7379=6 HB3 GLU 64 - H ASN 79 OK 11 100 - 11 - 4.6/7378=5, 8508/4.5=1 HB2 GLU 64 - H ASN 79 OK 11 100 - 11 - 4.6/7378=5, 8508/4.5=1 HB ILE 22 - H ASN 79 OK 11 76 - 14 - 2.1/6427=5, 1157/4.7=1 HG LEU 58 - H ASN 79 lone 9 100 - 9 - 1157/4.7=1, ~8749=1 HB3 PRO 30 - H ASN 79 lone 9 92 - 10 - 3.9/1661=2 HB3 GLU 94 - H ASN 79 poor 8 81 - 10 - 4.7/1482=5, 2.9/375=1 HB2 LEU 21 - H ASN 79 lone 8 99 - 8 - 1157/4.7=1 HB3 LYS 119 - H ASN 79 lone 8 97 - 8 - 1157/4.7=1 HB2 GLU 28 - H ASN 79 poor 7 63 - 11 - 3.8/1661=4, 3.0/374=2 HB3 MET 11 - H ASN 79 lone 5 90 - 5 - 3.0/1662=2 Peak 7371 from nnoeabs.peaks (1.26, 7.84, 119.43 ppm; 4.72 A): 7 out of 8 assignments used, quality = 0.94: QG2 ILE 80 + H ASN 79 OK 66 99 - 67 - 4.4/1664=25, 4.0/1482=21...(8) QD1 ILE 80 + H ASN 79 OK 63 99 - 64 - 2.1/7369=20, 4.9/1482=17...(11) HG3 LYS 32 + H ASN 79 OK 20 100 - 20 - 2525/5.6=5, 5530/5.6=4...(6) QG2 THR 116 + H ASN 79 OK 14 98 - 15 - 2.1/1662=4, 1158/4.7=4...(4) HG LEU 77 + H ASN 79 OK 13 65 - 20 - 5.0/1661=6, 5730/4.6=5...(4) QG2 THR 19 + H ASN 79 OK 12 100 - 12 - 8421/3.0=4, 1158/4.7=3 HG13 ILE 124 + H ASN 79 OK 10 81 - 13 - 2.1/7372=2, 5363/4.5=2...(6) HG LEU 54 - H ASN 79 lone 8 78 - 10 - 5624/5.6=3 Peak 7372 from nnoeabs.peaks (0.90, 7.84, 119.43 ppm; 5.05 A): 9 out of 13 assignments used, quality = 0.83: QG2 VAL 115 + H ASN 79 OK 23 81 - 28 - 5113/4.7=10, 4.0/1482=7...(5) QD2 LEU 27 + H ASN 79 OK 22 83 - 27 - 4.8/1661=4, 4.4/6540=3...(10) QD1 LEU 27 + H ASN 79 OK 20 76 - 26 - 4.8/1661=4, 4.4/6540=3...(10) QG1 VAL 49 + H ASN 79 OK 19 81 - 24 - 8406/5.6=7, 2.1/7369=5...(5) QG2 VAL 49 + H ASN 79 OK 18 89 - 20 - 6912/5.6=8, 2.1/7369=5...(4) QD2 LEU 41 + H ASN 79 OK 16 93 - 17 - 5565/4.6=5, 4.9/373=2...(4) QG2 ILE 22 + H ASN 79 OK 15 81 - 19 - 6427=5, 6428/5.6=3...(5) HB2 GLN 42 + H ASN 79 OK 13 93 - 14 - 2827/4.6=4, 4.0/373=3 QD1 ILE 124 + H ASN 79 OK 13 90 - 14 - 8119/3.0=2, 2.1/7371=2...(5) QD1 LEU 117 - H ASN 79 lone 7 99 - 7 - 7381/5.6=2 QD1 LEU 41 - H ASN 79 poor 7 60 - 12 - 5566/4.6=2, 4.9/373=2 QD2 LEU 59 - H ASN 79 lone 3 81 - 4 - QD1 LEU 126 - H ASN 79 lone 3 100 - 3 - Peak 7378 from nnoeabs.peaks (7.22, 7.84, 119.43 ppm; 4.39 A): 5 out of 6 assignments used, quality = 0.82: QD TYR 67 + H ASN 79 OK 56 90 - 62 - 2.2/7379=17, 7363/4.5=11...(13) H LYS 65 + H ASN 79 OK 27 100 - 27 - 7363/4.5=4, 3.0/375=4...(7) QD TYR 102 + H ASN 79 OK 26 99 - 26 - 4739/3.0=4, 7359/4.6=3...(11) QE PHE 40 + H ASN 79 OK 15 100 - 15 - 7359/4.6=3, 6.5/1661=2...(6) QD PHE 107 + H ASN 79 OK 11 63 - 18 - 7361/4.5=2, 7363/4.5=2...(6) QE PHE 96 - H ASN 79 poor 7 60 - 12 - 6.5/1153=3, ~4709=2...(4) Peak 7379 from nnoeabs.peaks (6.81, 7.84, 119.43 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.66: QE TYR 67 + H ASN 79 OK 49 76 - 65 - 2.2/7378=17, 7362/4.5=14...(10) H VAL 110 + H ASN 79 OK 21 78 - 27 - 7362/4.5=7, 7360/4.6=6...(5) HH2 TRP 20 + H ASN 79 OK 15 87 - 17 - 7360/4.6=5, 7364/4.5=4...(5) Peak 7380 from nnoeabs.peaks (2.05, 7.41, 108.67 ppm; 4.49 A): 4 out of 13 assignments used, quality = 0.93: HG3 PRO 70 + HD21 ASN 79 OK 85 97 - 88 - 7272/1.7=22, 7273=21...(24) HB2 GLN 105 + HD21 ASN 79 OK 26 71 - 37 - ~8143=5, 4770/1.7=5...(14) HB3 GLU 38 + HD21 ASN 79 OK 21 99 - 21 - 4.4/664=4, 5550/1.7=3...(8) HB ILE 63 + HD21 ASN 79 OK 18 96 - 19 - ~7127=5, 3.2/7381=3...(6) HG3 PRO 37 - HD21 ASN 79 lone 10 100 - 10 - 7382/1.7=1, ~6695=1, ~6698=1 HB2 GLU 56 - HD21 ASN 79 lone 9 96 - 10 - 7382/1.7=1 HG3 PRO 60 - HD21 ASN 79 lone 6 99 - 6 - 3814/7269=1 HB3 ARG 81 - HD21 ASN 79 lone 4 100 - 4 - 8674/5.6=1 HB2 ARG 57 - HD21 ASN 79 lone 4 83 - 4 - 5550/1.7=1 HB2 LEU 114 - HD21 ASN 79 lone 3 57 - 5 - HG2 GLU 64 - HD21 ASN 79 lone 2 83 - 3 - HB2 GLN 16 - HD21 ASN 79 lone 2 65 - 3 - HB3 GLN 16 - HD21 ASN 79 lone 2 63 - 3 - Peak 7381 from nnoeabs.peaks (0.91, 7.41, 108.67 ppm; 3.78 A): 6 out of 13 assignments used, quality = 0.75: QG2 VAL 49 + HD21 ASN 79 OK 46 99 - 46 - 6912=16, 4.0/6910=11...(11) QD1 LEU 55 + HD21 ASN 79 OK 19 78 - 24 - 6912=7, 3247/1.7=4...(7) QG2 VAL 115 + HD21 ASN 79 OK 17 97 - 18 - 7973/3.5=3, 7383/1.7=2...(7) QG2 ILE 22 + HD21 ASN 79 OK 13 97 - 13 - 6428/1.7=3, 6427/5.6=2...(5) QD1 ILE 63 + HD21 ASN 79 OK 11 63 - 17 - 7127/1.7=4, 3.2/7380=2...(6) QD1 LEU 117 + HD21 ASN 79 OK 10 100 - 10 - 6912=3, 7383/1.7=1 QD2 LEU 27 - HD21 ASN 79 lone 9 97 - 10 - 2298/4.4=2, 7383/1.7=2 QD1 LEU 27 - HD21 ASN 79 lone 8 95 - 9 - 7383/1.7=1, 2291/4.4=1...(4) HB2 GLN 42 - HD21 ASN 79 lone 5 100 - 5 - QD1 LEU 41 - HD21 ASN 79 lone 5 85 - 6 - 7383/1.7=1 QD2 LEU 41 - HD21 ASN 79 lone 5 73 - 6 - QD1 LEU 126 - HD21 ASN 79 lone 3 100 - 3 - QD1 ILE 124 - HD21 ASN 79 lone 3 68 - 4 - Peak 7382 from nnoeabs.peaks (2.06, 8.11, 108.67 ppm; 4.44 A): 3 out of 30 assignments used, quality = 0.93: HG3 PRO 70 + HD22 ASN 79 OK 71 85 - 84 - 7272=20, 7380/1.7=17...(21) HB3 GLU 38 + H GLY 39 OK 63 63 - 100 - 4.4=100 HB2 GLN 105 + HD22 ASN 79 OK 36 89 - 41 - 3.0/8143=7, 4770=6...(16) HB3 GLU 38 - HD22 ASN 79 OK 24 100 - 24 - 7380/1.7=4, 3.0/5548=3...(7) HG3 PRO 70 - H GLY 39 OK 23 47 - 48 - 7272=11, 2.3/7267=7...(17) HB ILE 63 - HD22 ASN 79 OK 21 100 - 21 - 3.2/7127=7, 7380/1.7=4...(5) HG3 PRO 37 - H GLY 39 OK 16 58 - 27 - 3.8/5996=7, 149/4.6=7...(7) HB2 GLU 56 - HD22 ASN 79 OK 14 83 - 17 - 3.7/250=5, 4.6/1638=3 HG3 PRO 37 - HD22 ASN 79 OK 12 97 - 13 - 3.8/5996=2, 7380/1.7=2...(4) HB2 ARG 57 - H GLY 39 OK 12 56 - 22 - 6074/3.6=5, 3.7/1638=4...(7) HB ILE 63 - H GLY 39 OK 11 62 - 18 - 3.2/7127=5, 2702/3.6=2...(6) HB2 ARG 57 - HD22 ASN 79 OK 10 96 - 11 - 3.7/1638=3, 5550=1 HG3 PRO 60 - HD22 ASN 79 lone 7 93 - 8 - 7380/1.7=1 HB2 GLU 56 - H GLY 39 poor 7 45 - 16 - 4.6/1638=3, 3.7/250=3...(4) HB2 GLN 105 - H GLY 39 poor 7 50 - 14 - 4770=3, 1.8/4778=2...(4) HB3 ARG 81 - HD22 ASN 79 lone 6 99 - 6 - 8674/5.6=1 HG2 GLU 64 - H GLY 39 poor 6 56 - 10 - 2702/3.6=2, 2708/4.4=1 HG3 PRO 60 - H GLY 39 lone 5 54 - 10 - 149/4.6=2, 2702/3.6=2 HB2 LEU 114 - HD22 ASN 79 lone 5 78 - 6 - HG LEU 21 - HD22 ASN 79 lone 4 76 - 6 - 4.3/5990=1 HG2 GLU 64 - HD22 ASN 79 lone 4 96 - 4 - HB2 LEU 114 - H GLY 39 lone 4 42 - 8 - HG LEU 21 - H GLY 39 lone 3 41 - 8 - 4.3/5990=2 HB3 ARG 81 - H GLY 39 lone 3 60 - 6 - HB2 GLN 16 - HD22 ASN 79 lone 3 85 - 4 - HB3 GLN 16 - HD22 ASN 79 lone 3 83 - 4 - HB2 GLU 15 - HD22 ASN 79 lone 2 65 - 3 - HB2 GLN 16 - H GLY 39 lone 2 47 - 4 - HB2 GLU 15 - H GLY 39 lone 2 34 - 5 - HB3 GLN 16 - H GLY 39 lone 2 45 - 3 - Peak 7383 from nnoeabs.peaks (0.93, 8.11, 108.67 ppm; 3.80 A): 15 out of 22 assignments used, quality = 0.95: QG2 VAL 49 + HD22 ASN 79 OK 45 99 - 46 - 6912/1.7=12, 3.2/6911=9...(9) QD1 LEU 55 + HD22 ASN 79 OK 32 99 - 33 - 3247=6, 6912/1.7=6...(8) QD1 ILE 63 + HD22 ASN 79 OK 25 93 - 27 - 7127=6, 7153/4.4=3...(8) QG2 VAL 115 + HD22 ASN 79 OK 19 100 - 19 - 7381/1.7=4, 7973/3.5=3...(5) QG2 ILE 22 + HD22 ASN 79 OK 18 100 - 18 - 6428=3, 7381/1.7=3...(6) QD1 LEU 41 + H GLY 39 OK 17 62 - 28 - 4.3/1585=7, 6708/3.6=3...(10) QD2 LEU 27 + HD22 ASN 79 OK 14 100 - 14 - 7381/1.7=2, 2298/4.4=2, ~7381=1 QD1 LEU 27 + HD22 ASN 79 OK 12 100 - 12 - 7381/1.7=2, ~7381=1, 2291/4.4=1 HB2 GLN 42 + H GLY 39 OK 12 58 - 21 - 6013/2.9=6, ~6014=4...(5) QD1 LEU 41 + HD22 ASN 79 OK 11 100 - 11 - 4.3/1585=2, 7381/1.7=1 QG2 VAL 49 + H GLY 39 OK 11 61 - 18 - 2.1/8406=4, 3.2/6911=3...(6) QD1 LEU 55 + H GLY 39 OK 11 60 - 18 - 3247=2, 2.1/3254=2...(7) QD2 LEU 27 + H GLY 39 OK 11 62 - 17 - 5504/4.6=2, 6708/3.6=2...(6) QD1 ILE 63 + H GLY 39 OK 11 54 - 20 - 7127=4, 7126/4.6=2...(7) QD1 LEU 117 + HD22 ASN 79 OK 10 87 - 12 - 6912/1.7=2, 3247=1 QG2 ILE 22 - H GLY 39 poor 10 63 - 16 - 6428=3, 3.2/5995=2...(6) QD1 LEU 27 - H GLY 39 poor 10 63 - 15 - 6708/3.6=2, 5503/4.6=2...(5) HB2 GLN 42 - HD22 ASN 79 lone 7 97 - 7 - 7381/1.7=1 QG2 VAL 115 - H GLY 39 lone 6 63 - 10 - 7972/3.6=2, 6012/2.9=1 QD1 LEU 117 - H GLY 39 lone 4 48 - 9 - 6708/3.6=1 QD1 LEU 126 - HD22 ASN 79 lone 3 85 - 4 - QD1 LEU 126 - H GLY 39 lone 1 47 - 2 - Peak 7384 from nnoeabs.peaks (0.70, 8.11, 108.67 ppm; 5.14 A): 3 out of 10 assignments used, quality = 0.95: QG1 VAL 66 + HD22 ASN 79 OK 84 100 - 84 - 4.3/8142=25, 7200=21...(19) QD2 LEU 54 + HD22 ASN 79 OK 45 99 - 46 - 2.1/5625=8, 2.1/5624=8...(10) HG3 GLU 75 + HD22 ASN 79 OK 45 100 - 45 - 3972/1.7=10, ~3960=6...(12) QG1 VAL 66 - H GLY 39 OK 22 63 - 35 - 7200=7, 2.1/7196=6...(10) QD2 LEU 54 - H GLY 39 OK 21 60 - 35 - 2.1/5625=6, 2.1/5624=4...(10) QD1 LEU 77 - HD22 ASN 79 OK 17 97 - 17 - ~7348=3, 318/8142=1...(5) HG3 GLU 75 - H GLY 39 OK 13 62 - 21 - 3.6/6093=3, 3973/2.9=3...(8) QD1 LEU 77 - H GLY 39 OK 12 58 - 22 - 4025/4.6=3, 4025/4.6=2...(9) QD1 LEU 114 - HD22 ASN 79 poor 8 71 - 11 - 5626=1 QD1 LEU 114 - H GLY 39 poor 5 37 - 13 - 3213/3.6=1, 5626=1 Peak 7385 from nnoeabs.peaks (3.62, 8.11, 108.67 ppm; 4.85 A): 3 out of 14 assignments used, quality = 0.96: HD2 PRO 70 + HD22 ASN 79 OK 87 98 - 89 - 2.3/7272=22, 7275=19...(22) HA2 GLY 39 + H GLY 39 OK 51 51 - 100 - 2.9=100 HA2 GLY 39 + HD22 ASN 79 OK 35 90 - 39 - 2729=7, 1.8/2732=6...(13) HD2 PRO 70 - H GLY 39 OK 32 59 - 54 - 2.3/7272=11, 7275=8...(17) HA ILE 80 - HD22 ASN 79 OK 31 90 - 35 - ~380=8, 6126/5.6=7...(5) HA VAL 115 - HD22 ASN 79 OK 27 100 - 27 - 7386/1.7=3, ~7381=3...(11) HA LEU 41 - H GLY 39 OK 18 41 - 46 - 3.0/1585=15, ~6010=9...(9) HA LEU 111 - HD22 ASN 79 lone 8 95 - 9 - 7386/1.7=1 HA LEU 41 - HD22 ASN 79 poor 8 76 - 11 - 3.0/1585=4, 4.1/7383=1 HA VAL 115 - H GLY 39 poor 8 63 - 12 - 2733/2.9=1, 159/4.6=1 HA LEU 111 - H GLY 39 poor 7 55 - 13 - 159/4.6=2, 2733/2.9=2...(5) HA ILE 80 - H GLY 39 poor 6 51 - 12 - 4.9/4049=4, 6131/4.6=2 HA LYS 46 - HD22 ASN 79 lone 3 89 - 4 - HA LYS 46 - H GLY 39 lone 2 50 - 3 - Peak 7386 from nnoeabs.peaks (3.60, 7.41, 108.67 ppm; 4.93 A): 3 out of 6 assignments used, quality = 0.98: HD2 PRO 70 + HD21 ASN 79 OK 90 99 - 91 - 7275/1.7=20, ~7278=20...(26) HA2 GLY 48 + HD21 ASN 79 OK 54 76 - 71 - 3.6/6910=21, ~7374=14...(13) HA GLU 75 + HD21 ASN 79 OK 51 83 - 62 - 3948=9, 6098/5.6=8...(20) HA2 GLY 39 - HD21 ASN 79 OK 38 100 - 38 - 2729/1.7=8, 2.9/664=6...(12) HA VAL 115 - HD21 ASN 79 OK 28 96 - 29 - 3.2/7381=5, ~5738=3...(14) HA LEU 111 - HD21 ASN 79 OK 12 100 - 12 - 7373/3.5=2, 1663/5.6=1 Peak 7387 from nnoeabs.peaks (4.23, 7.41, 108.67 ppm; 5.16 A): 3 out of 12 assignments used, quality = 0.92: HA VAL 66 + HD21 ASN 79 OK 69 89 - 78 - 3.6/8141=35, 3.2/7203=15...(14) HA3 GLY 48 + HD21 ASN 79 OK 64 90 - 71 - 3.6/6910=23, 6887/3.5=18...(13) HA CYS 52 + HD21 ASN 79 OK 30 97 - 31 - 6058/1.7=13, 6956/3.5=4...(11) HA VAL 26 - HD21 ASN 79 OK 22 97 - 23 - ~8234=4, 7388/1.7=4...(7) HA ILE 22 - HD21 ASN 79 OK 19 90 - 21 - 5995/1.7=4, ~6428=4...(5) HA THR 17 - HD21 ASN 79 lone 9 100 - 9 - 7374/3.5=2, 7388/1.7=1 HA SER 13 - HD21 ASN 79 lone 8 90 - 9 - 7388/1.7=1 HB THR 19 - HD21 ASN 79 lone 8 89 - 9 - 7374/3.5=3, 7375/3.5=1 HA ALA 89 - HD21 ASN 79 lone 5 97 - 5 - 7374/3.5=1 HA LEU 58 - HD21 ASN 79 lone 4 78 - 5 - 7374/3.5=1 HA LEU 126 - HD21 ASN 79 lone 3 76 - 4 - HA GLU 64 - HD21 ASN 79 lone 3 63 - 4 - Peak 7388 from nnoeabs.peaks (4.23, 8.11, 108.67 ppm; 4.61 A): 5 out of 22 assignments used, quality = 0.93: HA VAL 66 + HD22 ASN 79 OK 65 95 - 68 - 3.6/8142=23, 3.2/7196=14...(15) HA3 GLY 48 + HD22 ASN 79 OK 49 83 - 60 - 6887/3.5=14, 3.6/8144=12...(12) HA CYS 52 + HD22 ASN 79 OK 36 99 - 36 - 6058=11, 3.6/1622=6...(12) HA VAL 26 + HD22 ASN 79 OK 23 99 - 24 - 3.0/6482=4, 3.2/8234=4...(6) HA ILE 22 + HD22 ASN 79 OK 22 96 - 23 - 3.2/6428=4, 5995=3...(7) HA VAL 26 - H GLY 39 OK 11 61 - 18 - 3.2/8229=3, 3.0/6482=3...(5) HA ILE 22 - H GLY 39 OK 11 56 - 19 - 3.2/6428=4, 5995=3...(5) HA VAL 66 - H GLY 39 OK 10 55 - 18 - 3.6/8142=5, 3.2/7200=5 HA CYS 52 - H GLY 39 poor 9 61 - 15 - 6058=3, 3.6/1622=3, 5611/4.6=1 HA THR 17 - HD22 ASN 79 lone 8 99 - 8 - 7387/1.7=1, 7374/3.5=1 HA SER 13 - HD22 ASN 79 lone 8 96 - 8 - 7387/1.7=1 HB THR 19 - HD22 ASN 79 lone 6 81 - 8 - 7374/3.5=2, 7375/3.5=1 HA SER 13 - H GLY 39 poor 6 56 - 11 - 1889/3.6=2, 1886/4.6=1 HA ALA 89 - HD22 ASN 79 lone 4 92 - 4 - HA3 GLY 48 - H GLY 39 lone 4 45 - 8 - 3.6/8144=2 HA LEU 126 - HD22 ASN 79 lone 4 85 - 4 - HA LEU 58 - HD22 ASN 79 lone 3 68 - 4 - HA THR 17 - H GLY 39 lone 2 61 - 4 - HA ALA 89 - H GLY 39 lone 2 53 - 4 - HA LEU 126 - H GLY 39 lone 1 47 - 3 - HA LEU 58 - H GLY 39 lone 1 36 - 3 - HB THR 19 - H GLY 39 lone 1 44 - 3 - Peak 7405 from nnoeabs.peaks (0.59, 8.37, 119.47 ppm; 4.72 A): 4 out of 4 assignments used, quality = 0.76: QD2 LEU 77 + H ILE 80 OK 43 76 - 56 - 7342/4.7=16, 4.0/6107=14...(9) QG1 VAL 26 + H ILE 80 OK 32 89 - 37 - 7423/3.0=11, 7403/4.0=10...(9) QD1 LEU 51 + H ILE 80 OK 28 65 - 42 - 7423/3.0=15, 7403/4.0=13...(7) QG1 VAL 50 + H ILE 80 OK 16 60 - 27 - 7424/3.9=6, 7419/4.9=5...(8) Peak 7406 from nnoeabs.peaks (1.43, 8.37, 119.47 ppm; 4.71 A): 8 out of 13 assignments used, quality = 0.93: QB ALA 98 + H ILE 80 OK 51 99 - 51 - 7659/4.7=15, 7665/4.0=11...(11) HB3 LEU 101 + H ILE 80 OK 43 97 - 44 - 7400/4.0=8, 7421/3.0=6...(9) HB2 LEU 51 + H ILE 80 OK 40 98 - 41 - ~7423=8, 3.1/7405=7...(9) QB ALA 89 + H ILE 80 OK 28 97 - 29 - 7659/4.7=4, 2.1/7407=3...(11) HB3 LEU 91 + H ILE 80 OK 14 100 - 14 - 7400/4.0=2, 7421/3.0=2...(5) HG LEU 59 + H ILE 80 OK 13 65 - 19 - 2.1/1160=3, 7425/3.9=3...(8) HB3 GLU 75 + H ILE 80 OK 12 81 - 15 - 4.0/381=4, 4.3/1762=4 QB ALA 122 + H ILE 80 OK 11 90 - 12 - 7659/4.7=2, 7400/4.0=1...(5) HD2 LYS 46 - H ILE 80 poor 10 60 - 17 - 5.2/1156=3, ~2980=2...(6) HD2 LYS 65 - H ILE 80 lone 6 93 - 6 - HD3 LYS 65 - H ILE 80 lone 6 93 - 6 - HG LEU 24 - H ILE 80 lone 5 81 - 6 - 5.3/1666=2 HB3 LEU 45 - H ILE 80 lone 4 81 - 5 - 7421/3.0=1 Peak 7407 from nnoeabs.peaks (4.24, 8.37, 119.47 ppm; 4.53 A): 6 out of 13 assignments used, quality = 0.88: HA3 GLY 48 + H ILE 80 OK 65 99 - 66 - 8423/3.0=17, 3.0/8278=14...(9) HB THR 19 + H ILE 80 OK 33 99 - 34 - 8351/4.0=5, 8512/3.0=5...(12) HA VAL 26 + H ILE 80 OK 18 81 - 23 - 3.2/7405=8, ~7423=5...(5) HA ALA 89 + H ILE 80 OK 18 100 - 18 - 2.1/7406=4, 2.9/1517=3...(6) HA THR 17 + H ILE 80 OK 14 99 - 14 - 3.0/587=2, 7975/5113=2...(4) HA LEU 58 + H ILE 80 OK 14 96 - 14 - 8351/4.0=3, 8512/3.0=2...(5) HA ILE 22 - H ILE 80 poor 8 68 - 12 - 3.0/1157=2, 8349/5.1=2...(5) HA GLU 94 - H ILE 80 poor 8 57 - 13 - 3.0/1497=2, 7374/4.5=2...(6) HA VAL 66 - H ILE 80 poor 7 65 - 10 - 7176/3.5=4, 7174/4.5=2 HA GLU 64 - H ILE 80 lone 6 87 - 6 - HA CYS 52 - H ILE 80 lone 6 83 - 7 - 6956/4.5=2 HA SER 13 - H ILE 80 lone 4 68 - 6 - HA ALA 122 - H ILE 80 lone 3 57 - 6 - 2.1/7406=2 Peak 7430 from nnoeabs.peaks (7.85, 9.06, 117.40 ppm; 4.92 A): 2 out of 5 assignments used, quality = 0.98: H PHE 83 + H ARG 81 OK 87 100 - 87 - 1681=48, 4.6/390=32...(18) H ASN 79 + H ARG 81 OK 83 96 - 87 - 1664=48, 4.7/1483=31...(14) H GLY 88 - H ARG 81 OK 17 97 - 18 - 4.8/7659=4, 6126/3.6=3...(6) HD21 ASN 99 - H ARG 81 OK 15 76 - 20 - 4.4/1670=4, 7682/7342=4...(6) H ASP 36 - H ARG 81 lone 3 63 - 4 - 7336/7342=1 Peak 7431 from nnoeabs.peaks (0.76, 9.06, 117.40 ppm; 5.03 A): 6 out of 6 assignments used, quality = 0.95: QD1 LEU 84 + H ARG 81 OK 72 90 - 80 - 7433/2.9=15, ~7434=14...(21) QG2 ILE 63 + H ARG 81 OK 56 100 - 56 - 7456/4.6=11, 7433/2.9=9...(15) HG LEU 111 + H ARG 81 OK 24 95 - 25 - 7402/4.4=5, 7433/2.9=4...(9) QD2 LEU 93 + H ARG 81 OK 23 98 - 24 - 7402/4.4=7, 7433/2.9=4...(6) QG2 VAL 66 + H ARG 81 OK 18 98 - 19 - 7456/4.6=5, 7433/2.9=2...(6) QD1 LEU 91 + H ARG 81 OK 14 83 - 17 - 7402/4.4=4, 3.1/7436=3...(5) Peak 7432 from nnoeabs.peaks (0.58, 9.06, 117.40 ppm; 5.29 A): 3 out of 4 assignments used, quality = 0.84: QD2 LEU 77 + H ARG 81 OK 75 99 - 76 - 7342=44, 4.0/6110=29...(8) QG1 VAL 50 + H ARG 81 OK 27 93 - 29 - 7424/4.4=8, 7419/5744=4...(7) QD2 LEU 45 + H ARG 81 OK 12 68 - 17 - 7424/4.4=6, 7419/5744=4...(5) HG12 ILE 34 - H ARG 81 lone 4 57 - 7 - 7424/4.4=2, 3995/6110=2 Peak 7436 from nnoeabs.peaks (1.43, 9.06, 117.40 ppm; 4.58 A): 7 out of 14 assignments used, quality = 0.91: QB ALA 98 + H ARG 81 OK 63 97 - 65 - 7659=27, 7435/2.9=10...(15) HB2 LEU 51 + H ARG 81 OK 31 93 - 34 - 7435/2.9=5, 7421/3.6=5...(11) QB ALA 89 + H ARG 81 OK 27 99 - 27 - 7659=7, 7435/2.9=3...(9) HB3 LEU 101 + H ARG 81 OK 27 100 - 27 - 7731/4.4=7, 7421/3.6=6...(7) HB3 LEU 91 + H ARG 81 OK 16 100 - 16 - 7435/2.9=3, 7400/4.4=2...(8) HG2 LYS 119 + H ARG 81 OK 14 68 - 20 - ~6136=4, 4.0/1673=3...(8) QB ALA 122 + H ARG 81 OK 12 81 - 14 - 7659=4, 7435/2.9=2...(5) HB3 LEU 45 - H ARG 81 lone 7 90 - 8 - 3.1/7432=3, 7421/3.6=1 HD2 LYS 46 - H ARG 81 lone 6 73 - 8 - 2970/3.6=2, 5.2/384=2 HD2 LYS 65 - H ARG 81 lone 5 98 - 5 - HD3 LYS 65 - H ARG 81 lone 5 98 - 5 - HB3 GLU 75 - H ARG 81 lone 5 90 - 5 - 7406/4.7=1 HG LEU 24 - H ARG 81 lone 3 90 - 4 - HG3 LYS 31 - H ARG 81 lone 2 60 - 3 - Peak 7437 from nnoeabs.peaks (4.17, 9.06, 117.40 ppm; 4.49 A): 5 out of 8 assignments used, quality = 0.89: HA SER 78 + H ARG 81 OK 65 100 - 65 - 8658=33, 3.6/1664=26...(11) HA PHE 83 + H ARG 81 OK 40 71 - 56 - 3.0/1681=28, 3.0/1168=6...(15) HA GLU 56 + H ARG 81 OK 32 100 - 32 - 8302/4.6=7, 3.0/4120=6...(11) HA GLU 28 + H ARG 81 OK 15 92 - 16 - 6114/4.0=3, ~6133=2...(5) HA ARG 92 + H ARG 81 OK 10 95 - 11 - 5.0/4152=2, 5.0/4152=2...(4) HB2 SER 113 - H ARG 81 lone 7 83 - 8 - 1665/4.7=2, 374/1664=1 HA PRO 68 - H ARG 81 lone 3 93 - 3 - HA3 GLY 61 - H ARG 81 lone 3 81 - 3 - Peak 7456 from nnoeabs.peaks (0.76, 8.45, 124.13 ppm; 4.63 A): 3 out of 6 assignments used, quality = 0.94: QG2 ILE 63 + H GLU 82 OK 83 100 - 83 - 7143/5.2=19, 8649/5.2=18...(18) QD1 LEU 84 + H GLU 82 OK 48 90 - 53 - 4.6/1686=14, 7433/3.6=12...(13) QG2 VAL 66 + H GLU 82 OK 35 98 - 36 - 7195/2.9=7, 8436/3.7=5...(11) HG LEU 111 - H GLU 82 OK 19 95 - 20 - 7433/3.6=4, 7431/4.6=2...(6) QD2 LEU 93 - H GLU 82 OK 17 98 - 17 - 7433/3.6=3, 7431/4.6=2...(5) QD1 LEU 91 - H GLU 82 poor 9 83 - 11 - 7433/3.6=2, 7431/4.6=1 Peak 7457 from nnoeabs.peaks (0.94, 8.45, 124.13 ppm; 5.11 A): 3 out of 12 assignments used, quality = 0.94: QD1 ILE 63 + H GLU 82 OK 88 100 - 88 - 8648/5.2=22, 7150/5.2=22...(21) QD2 LEU 27 + H GLU 82 OK 32 93 - 34 - 2298/2.9=5, 7465/4.6=3...(11) QD1 LEU 27 + H GLU 82 OK 32 97 - 33 - 2291/2.9=4, ~2298=3...(11) QG2 VAL 115 - H GLU 82 OK 19 95 - 20 - 4.0/1676=5, 5113/1676=4...(5) QD1 LEU 55 - H GLU 82 OK 18 100 - 18 - 7465/4.6=3, 7452/5.2=1...(5) QG2 ILE 22 - H GLU 82 OK 17 95 - 18 - 6427/4.6=5, 2.1/392=1...(4) QD1 LEU 41 - H GLU 82 OK 16 100 - 16 - 7465/4.6=3, 7452/5.2=1 QG2 ILE 124 - H GLU 82 OK 11 81 - 13 - 7465/4.6=2, 3.2/1678=2...(4) QG2 VAL 49 - H GLU 82 OK 10 89 - 12 - 4.3/1459=2 HB2 GLN 42 - H GLU 82 poor 9 83 - 11 - 3.0/396=3, 7027/4.3=1 QD1 LEU 117 - H GLU 82 poor 7 63 - 10 - 3.8/391=2, 5159/3.6=2 QD1 LEU 126 - H GLU 82 lone 1 60 - 2 - Peak 7463 from nnoeabs.peaks (1.92, 7.84, 121.12 ppm; 4.28 A): 4 out of 16 assignments used, quality = 0.95: HB ILE 80 + H PHE 83 OK 64 100 - 64 - 4.4/1681=19, 3.0/1682=16...(12) HB2 LEU 84 + H PHE 83 OK 56 93 - 60 - 4.0/1486=16, 3.1/7467=13...(11) HB2 ARG 81 + H PHE 83 OK 54 98 - 55 - 4.0/1681=21, 4.3/398=17...(11) HG LEU 84 + H PHE 83 OK 31 60 - 52 - 2.1/7467=15, 5.2/1486=11...(10) HB ILE 22 - H PHE 83 OK 22 99 - 22 - 4.4/1684=5, 2.1/6427=4...(7) HB2 GLU 28 - H PHE 83 OK 17 95 - 18 - 3.8/1486=4, 2310/4.6=4...(5) HB3 GLU 73 - H PHE 83 lone 10 99 - 10 - 4112/1681=2, 5746/4.6=2 HB2 LEU 21 - H PHE 83 lone 8 98 - 9 - HB3 GLU 64 - H PHE 83 lone 7 87 - 8 - 6143/3.6=1, 392/4.6=1 HB2 GLU 64 - H PHE 83 lone 6 83 - 8 - 6141/3.6=1, 7157/7128=1 HG LEU 58 - H PHE 83 lone 5 92 - 5 - HB2 LYS 109 - H PHE 83 lone 4 83 - 5 - 7846/4.0=1 HB3 LYS 119 - H PHE 83 lone 4 68 - 6 - HB2 GLU 38 - H PHE 83 lone 3 73 - 5 - HB3 GLU 69 - H PHE 83 lone 3 68 - 4 - 4.8/1682=1 HB3 MET 11 - H PHE 83 lone 2 100 - 2 - Peak 7464 from nnoeabs.peaks (1.28, 7.84, 121.12 ppm; 4.89 A): 2 out of 6 assignments used, quality = 0.88: QG2 ILE 80 + H PHE 83 OK 72 96 - 75 - 4.4/1681=25, 3.2/1682=19...(14) QD1 ILE 80 + H PHE 83 OK 58 97 - 60 - 4.1/1682=16...(12) HG LEU 54 - H PHE 83 lone 9 100 - 9 - 3200/4.3=2, 3200/4.3=2 QG2 THR 19 - H PHE 83 poor 9 78 - 12 - 8421/3.6=3, 6377/4.3=2 QG2 THR 116 - H PHE 83 lone 9 97 - 9 - 389/1681=1 HG3 LYS 32 - H PHE 83 lone 3 85 - 4 - Peak 7465 from nnoeabs.peaks (0.94, 7.84, 121.12 ppm; 4.24 A): 8 out of 10 assignments used, quality = 0.94: QD1 ILE 63 + H PHE 83 OK 68 100 - 68 - 7128=19, 8355/3.0=10...(17) QD1 LEU 55 + H PHE 83 OK 26 99 - 26 - ~8354=6, 8355/3.0=5...(6) QD2 LEU 27 + H PHE 83 OK 25 85 - 29 - 8355/3.0=4, 4.8/1486=3...(11) QD1 LEU 27 + H PHE 83 OK 25 90 - 27 - 8355/3.0=4, 4.8/1486=3...(10) QG2 ILE 22 + H PHE 83 OK 22 87 - 25 - 4.1/1684=5, 6427=4...(9) QD1 LEU 41 + H PHE 83 OK 21 97 - 22 - 4.1/1682=5, 8355/3.0=4...(6) QG2 VAL 115 + H PHE 83 OK 13 87 - 15 - 3.2/1682=3, 8355/3.0=2...(6) QG2 ILE 124 + H PHE 83 OK 13 90 - 14 - 8355/3.0=3, 3.2/1177=2, ~5342=1 HB2 GLN 42 - H PHE 83 poor 8 71 - 11 - 3.0/1179=3, 8355/3.0=2...(4) QG2 VAL 49 - H PHE 83 lone 5 78 - 6 - Peak 7466 from nnoeabs.peaks (0.76, 7.84, 121.12 ppm; 4.56 A): 7 out of 7 assignments used, quality = 0.95: QD1 LEU 84 + H PHE 83 OK 63 97 - 66 - 2.1/7467=17, 4.6/1486=15...(17) QG2 ILE 63 + H PHE 83 OK 62 100 - 62 - 3.2/7128=14, 3512/4.6=9...(16) QG2 VAL 66 + H PHE 83 OK 25 93 - 26 - 7195/3.6=6, 8436/4.3=5...(7) QD2 LEU 93 + H PHE 83 OK 21 100 - 21 - 4.7/1182=2, 1189/4.6=2...(8) HG LEU 111 + H PHE 83 OK 21 99 - 21 - 1189/4.6=3, 7456/4.6=2...(5) QD2 LEU 111 + H PHE 83 OK 11 68 - 16 - 1189/4.6=3, 4.0/1682=1, ~7903=1 QD1 LEU 91 + H PHE 83 OK 10 92 - 11 - 1189/4.6=1 Peak 7467 from nnoeabs.peaks (0.15, 7.84, 121.12 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.84: QD2 LEU 84 + H PHE 83 OK 67 96 - 71 - 4.6/1486=17, 7479/4.6=13...(19) QD2 LEU 51 + H PHE 83 OK 30 99 - 30 - 6940/4.6=8, 1188/4.6=4...(10) QG1 VAL 110 + H PHE 83 OK 28 96 - 29 - 1188/4.6=7, 7857/4.6=4...(9) QD1 ILE 34 - H PHE 83 poor 8 57 - 14 - 6631/4.6=3, 6643/3.0=2...(6) Peak 7470 from nnoeabs.peaks (2.87, 7.84, 121.12 ppm; 4.85 A): 3 out of 12 assignments used, quality = 0.55: HB2 ASN 79 + H PHE 83 OK 35 78 - 45 - 3.0/6124=11, 4.5/377=10...(10) HB2 PHE 40 + H PHE 83 OK 19 57 - 33 - 2.5/1182=11, ~6001=6...(7) HB2 ASN 99 + H PHE 83 OK 15 73 - 20 - 7471/4.0=4, 3.0/1683=4...(6) HB3 TYR 67 - H PHE 83 poor 8 68 - 12 - 7471/4.0=2, 1.8/4050=1, 4050=1 HB2 TYR 67 - H PHE 83 poor 8 68 - 12 - 7471/4.0=2, 1.8/4050=1, 4050=1 HB3 PHE 107 - H PHE 83 lone 8 81 - 10 - 7471/4.0=5 HE3 LYS 119 - H PHE 83 lone 6 100 - 6 - 7471/4.0=1, 7427/1682=1 HE2 LYS 119 - H PHE 83 lone 6 100 - 6 - 7471/4.0=1, 7427/1682=1 HG CYS 52 - H PHE 83 lone 5 95 - 5 - 7471/4.0=1, 8646/7128=1 HB2 ASP 36 - H PHE 83 lone 4 73 - 6 - 7471/4.0=2, 6660/4.6=1 HB3 ASN 12 - H PHE 83 lone 4 85 - 5 - HB2 ASP 100 - H PHE 83 lone 2 60 - 4 - Peak 7505 from nnoeabs.peaks (1.44, 8.56, 108.05 ppm; 4.67 A): 8 out of 16 assignments used, quality = 0.88: QB ALA 89 + H GLY 86 OK 55 100 - 56 - 6162/3.0=18, 7561/3.0=14...(9) HB2 LEU 93 + H GLY 86 OK 30 81 - 38 - 3.1/7508=7, 3.0/422=5...(11) HB3 LEU 91 + H GLY 86 OK 24 92 - 26 - 7512/3.0=6, 7524/4.6=4...(8) HG LEU 24 + H GLY 86 OK 16 99 - 16 - 7512/3.0=3, 3.0/422=3...(8) HB2 LEU 51 + H GLY 86 OK 15 73 - 21 - 3.9/1613=4, 3.0/6050=4...(6) QB ALA 14 + H GLY 86 OK 12 81 - 15 - 3.7/418=3, 5443/4.7=2 QB ALA 98 + H GLY 86 OK 11 81 - 13 - 2.1/1697=2, 6162/3.0=2...(5) HB3 LEU 101 + H GLY 86 OK 10 100 - 10 - 7512/3.0=1, 6161/3.0=1 HD3 LYS 65 - H GLY 86 lone 9 100 - 9 - 7512/3.0=2, 6161/3.0=1...(4) HD2 LYS 65 - H GLY 86 lone 9 100 - 9 - 7512/3.0=2, 6161/3.0=1...(4) HG2 LYS 119 - H GLY 86 lone 7 90 - 8 - 2.9/421=1, 7524/4.6=1 HD2 LYS 46 - H GLY 86 lone 7 93 - 7 - 7524/4.6=1 HB3 LEU 45 - H GLY 86 lone 7 99 - 7 - HG3 LYS 31 - H GLY 86 lone 6 85 - 7 - 4.7/1696=1 HB3 GLU 75 - H GLY 86 lone 5 99 - 5 - HG3 ARG 57 - H GLY 86 lone 3 76 - 4 - Peak 7506 from nnoeabs.peaks (1.11, 8.56, 108.05 ppm; 4.38 A): 3 out of 4 assignments used, quality = 0.82: QG2 THR 62 + H GLY 86 OK 73 100 - 73 - 7513/3.0=27, 7509/3.0=27...(9) QG2 VAL 120 + H GLY 86 OK 22 92 - 24 - 7513/3.0=7, 7509/3.0=6...(4) QG2 VAL 50 + H GLY 86 OK 14 65 - 21 - 3.2/6044=5, 4.3/1613=4...(7) QD2 LEU 117 - H GLY 86 lone 5 65 - 8 - 7526/4.6=2 Peak 7507 from nnoeabs.peaks (0.95, 8.56, 108.05 ppm; 4.32 A): 8 out of 11 assignments used, quality = 0.94: QD1 LEU 55 + H GLY 86 OK 44 96 - 47 - 2.1/8498=11, ~7015=6...(10) QD1 ILE 63 + H GLY 86 OK 44 99 - 44 - 7154/3.0=9, 7126=8...(12) QG2 ILE 22 + H GLY 86 OK 35 76 - 46 - 4.1/418=8, 4.0/1489=7...(11) QD1 LEU 41 + H GLY 86 OK 28 92 - 30 - 2.1/2805=3, 2812=3...(10) QD1 LEU 27 + H GLY 86 OK 24 81 - 30 - 4.0/1698=5, 2.1/423=4...(9) QD2 LEU 27 + H GLY 86 OK 22 73 - 31 - 4.0/1698=5, 2.1/423=4...(10) QG2 ILE 124 + H GLY 86 OK 15 97 - 15 - 5937/4.6=3, 3.2/1697=2...(6) QG2 VAL 115 + H GLY 86 OK 13 76 - 17 - 2.1/7508=3, 7514/3.0=2...(6) QG2 VAL 49 - H GLY 86 poor 10 65 - 15 - 2.1/8407=3, 3.2/6042=2...(5) QG2 THR 95 - H GLY 86 poor 7 63 - 11 - 3.2/1698=2, 7485/1695=2 HB2 GLN 42 - H GLY 86 lone 6 57 - 10 - 4.0/168=2, 4.6/1596=2, 1.8/423=2 Peak 7508 from nnoeabs.peaks (0.85, 8.56, 108.05 ppm; 4.00 A): 6 out of 9 assignments used, quality = 0.86: QD2 LEU 55 + H GLY 86 OK 47 100 - 47 - 8498=11, 7015/3.0=9...(11) QD1 LEU 93 + H GLY 86 OK 32 85 - 38 - 5806=6, 7511/3.0=5...(12) HG13 ILE 22 + H GLY 86 OK 32 97 - 33 - 7511/3.0=6, 2168/4.6=6...(9) QD2 LEU 114 + H GLY 86 OK 20 100 - 20 - 7511/3.0=3, 4.4/7516=3...(6) QD1 LEU 59 + H GLY 86 OK 17 99 - 17 - 7511/3.0=3, 8498=3...(6) QG1 VAL 115 + H GLY 86 OK 14 87 - 16 - 7511/3.0=3, 7515/3.0=2...(6) HG13 ILE 80 - H GLY 86 lone 3 81 - 4 - HB2 ASN 118 - H GLY 86 lone 2 68 - 4 - QD2 LEU 126 - H GLY 86 lone 2 73 - 2 - Peak 7516 from nnoeabs.peaks (7.98, 8.56, 108.05 ppm; 4.82 A): 5 out of 6 assignments used, quality = 0.88: HE ARG 85 + H GLY 86 OK 53 100 - 53 - 4.0/5772=14, 4.0/423=10...(9) H ALA 89 + H GLY 86 OK 42 71 - 60 - 8661/3.0=13, 4.6/1699=12...(12) H LEU 114 + H GLY 86 OK 27 97 - 28 - 8661/3.0=5, 4.4/7508=4...(8) H THR 17 + H GLY 86 OK 22 96 - 23 - ~5967=4, 3.0/5454=3...(9) H ARG 92 + H GLY 86 OK 20 83 - 24 - 8661/3.0=5, 4.6/1496=3...(7) H VAL 66 - H GLY 86 lone 8 83 - 10 - 4.0/7202=2, 8661/3.0=2 Peak 7517 from nnoeabs.peaks (7.10, 8.30, 120.51 ppm; 5.08 A): 5 out of 5 assignments used, quality = 0.92: H LEU 93 + H CYS 87 OK 66 99 - 67 - 7518/3.0=18, 7520/3.6=17...(14) QD PHE 83 + H CYS 87 OK 46 90 - 51 - 3.7/6148=22, 2.5/1702=11...(7) HZ PHE 96 + H CYS 87 OK 31 87 - 36 - 7520/3.6=8, 7518/3.0=8...(9) HE ARG 92 + H CYS 87 OK 24 98 - 24 - 7518/3.0=5, 7521/3.6=4...(5) QD PHE 40 + H CYS 87 OK 17 78 - 22 - 4.5/426=4, 4196/6148=2...(8) Peak 7523 from nnoeabs.peaks (1.93, 8.30, 120.51 ppm; 4.62 A): 5 out of 19 assignments used, quality = 0.93: HB ILE 22 + H CYS 87 OK 47 76 - 62 - 2.1/2154=13, 2.9/2168=11...(10) HB2 LEU 21 + H CYS 87 OK 46 99 - 47 - 1.8/5474=8, 5473=8...(9) HB2 LEU 84 + H CYS 87 OK 38 60 - 64 - 3.0/1702=17, 3.1/7529=16...(9) HB3 ARG 85 + H CYS 87 OK 38 92 - 41 - 4.7/426=16, 4.0/1701=13...(6) HB2 ARG 85 + H CYS 87 OK 38 92 - 41 - 4.7/426=16, 4.0/1701=13...(6) HB2 GLU 38 - H CYS 87 OK 17 98 - 17 - 3.0/1202=3, 3.0/1203=2...(8) HB3 LYS 119 - H CYS 87 OK 12 97 - 13 - 2.9/7525=3, 2.9/7524=1...(4) HB3 PRO 30 - H CYS 87 OK 12 92 - 13 - 3.0/1202=2, ~2372=1...(5) HB ILE 80 - H CYS 87 lone 10 97 - 10 - 8513/6148=1 HB3 GLU 94 - H CYS 87 poor 10 81 - 12 - 4.0/426=4, 3.0/1203=2...(4) HG LEU 58 - H CYS 87 lone 9 100 - 9 - 2.1/7051=2 HB2 LYS 109 - H CYS 87 lone 6 100 - 6 - 420/4.6=1 HB3 GLU 73 - H CYS 87 lone 6 81 - 7 - HB2 ARG 81 - H CYS 87 lone 6 73 - 8 - HB2 GLU 28 - H CYS 87 lone 5 63 - 8 - 3.0/1703=2 HB3 GLU 64 - H CYS 87 lone 5 100 - 5 - HB2 GLU 64 - H CYS 87 lone 5 100 - 5 - HB3 GLU 69 - H CYS 87 lone 3 97 - 3 - HB3 MET 11 - H CYS 87 lone 3 90 - 3 - Peak 7524 from nnoeabs.peaks (1.44, 8.30, 120.51 ppm; 4.80 A): 3 out of 17 assignments used, quality = 0.93: QB ALA 89 + H CYS 87 OK 72 100 - 72 - 4.8/429=20, 6162/3.6=17...(13) HB3 LEU 91 + H CYS 87 OK 62 97 - 64 - 7585/3.0=9, ~7530=9...(20) HB2 LEU 93 + H CYS 87 OK 38 68 - 56 - 3.8/7517=10, 3.1/7528=8...(13) HG LEU 24 - H CYS 87 OK 18 97 - 19 - 5.3/1573=5, 7512/3.6=2...(6) HD2 LYS 46 - H CYS 87 OK 15 85 - 18 - 2.9/7525=2, 2.9/7525=2...(8) QB ALA 98 - H CYS 87 OK 15 90 - 17 - 7668/7529=3, 2.1/1703=2...(5) HD3 LYS 65 - H CYS 87 OK 15 100 - 15 - 7550/4.7=2, 7537/3.6=2...(7) HD2 LYS 65 - H CYS 87 OK 15 100 - 15 - 7550/4.7=2, 7537/3.6=2...(7) HG2 LYS 119 - H CYS 87 OK 15 81 - 18 - 1.8/7525=3, 7531/3.0=2...(7) HB3 LEU 101 - H CYS 87 OK 13 100 - 13 - 7512/3.6=1, 7550/4.7=1...(7) HB2 LEU 51 - H CYS 87 OK 12 85 - 14 - 3.1/7529=5, 6161/3.6=2...(4) QB ALA 14 - H CYS 87 OK 12 68 - 17 - 6311/3.0=3, 3.7/1701=2...(6) HB3 LEU 45 - H CYS 87 lone 9 97 - 9 - HB3 GLU 75 - H CYS 87 lone 8 97 - 8 - QB ALA 122 - H CYS 87 lone 6 68 - 8 - 2.1/8458=3 HG3 ARG 57 - H CYS 87 lone 5 63 - 8 - ~6076=1, 7531/3.0=1 HG3 LYS 31 - H CYS 87 lone 5 73 - 7 - Peak 7525 from nnoeabs.peaks (1.31, 8.30, 120.51 ppm; 3.42 A): 4 out of 8 assignments used, quality = 0.80: HB3 LEU 84 + H CYS 87 OK 44 100 - 45 - 3.0/1702=10, 3.1/7529=8...(10) HG CYS 87 + H CYS 87 OK 44 100 - 44 - 5.6=23, 3.4/1204=21, 7551/4.7=4 QG2 THR 23 + H CYS 87 OK 25 100 - 25 - 4.0/1701=6, 6450=5...(9) QG2 THR 17 + H CYS 87 OK 15 90 - 16 - 8459/3.6=3, 5456/4.6=1...(6) HG3 LYS 119 - H CYS 87 lone 10 99 - 10 - 7543/3.6=1, 7532/3.0=1 HG2 LYS 46 - H CYS 87 lone 8 90 - 9 - HG3 LYS 46 - H CYS 87 lone 8 90 - 9 - QB ALA 43 - H CYS 87 lone 6 81 - 7 - 3.6/1704=1 Peak 7526 from nnoeabs.peaks (1.11, 8.30, 120.51 ppm; 4.72 A): 2 out of 4 assignments used, quality = 0.79: QG2 THR 62 + H CYS 87 OK 70 100 - 70 - 7513/3.6=27, 7509/3.6=27...(11) QG2 VAL 120 + H CYS 87 OK 28 92 - 30 - 7513/3.6=7, 7509/3.6=6...(7) QG2 VAL 50 - H CYS 87 poor 9 65 - 14 - 3.2/427=3, 7506/4.6=3 QD2 LEU 117 - H CYS 87 poor 9 65 - 13 - 7998/7517=1, 7506/4.6=1 Peak 7527 from nnoeabs.peaks (0.94, 8.30, 120.51 ppm; 4.06 A): 5 out of 10 assignments used, quality = 0.94: QG2 ILE 22 + H CYS 87 OK 54 87 - 62 - 2154=12, 2.1/2147=10...(14) QD1 ILE 63 + H CYS 87 OK 51 100 - 51 - 7147/3.6=12, 7154/3.6=7...(14) QD1 LEU 55 + H CYS 87 OK 46 99 - 47 - 2.1/7005=11, 7534/3.0=7...(12) QG2 ILE 124 + H CYS 87 OK 28 90 - 31 - 5937=5, 3.2/1703=3...(12) QD2 LEU 27 + H CYS 87 OK 26 85 - 31 - 6537=6, 2.1/6538=4...(9) QD1 LEU 27 - H CYS 87 OK 26 90 - 29 - 2.1/6537=6, 6538=4...(8) QD1 LEU 41 - H CYS 87 OK 23 97 - 23 - 4.3/426=3, 7534/3.0=2...(7) QG2 VAL 115 - H CYS 87 OK 17 87 - 19 - 7972/3.0=3, 2.1/7528=3...(5) QG2 VAL 49 - H CYS 87 lone 6 78 - 7 - 7510/3.6=1, 7514/3.6=1 HB2 GLN 42 - H CYS 87 lone 4 71 - 5 - Peak 7528 from nnoeabs.peaks (0.84, 8.30, 120.51 ppm; 3.65 A): 5 out of 8 assignments used, quality = 0.94: HG13 ILE 22 + H CYS 87 OK 55 100 - 55 - 2168=9, 2.1/2175=9...(15) QD1 LEU 93 + H CYS 87 OK 51 98 - 52 - 8523/3.6=13, 7533/3.0=7...(16) QD2 LEU 55 + H CYS 87 OK 48 97 - 49 - 7005=12, 7015/3.6=6...(13) QD2 LEU 91 + H CYS 87 OK 34 78 - 43 - 8374/3.6=6, 7587/3.0=5...(14) QD2 LEU 114 + H CYS 87 OK 25 93 - 26 - 7533/3.0=3, 4.4/1712=3...(11) QD1 LEU 59 - H CYS 87 OK 22 100 - 22 - 7083/3.0=4, 7005=3...(10) QG1 VAL 115 - H CYS 87 OK 20 99 - 21 - 7533/3.0=2, 7511/3.6=2...(9) HB2 ASN 118 - H CYS 87 lone 5 90 - 5 - Peak 7529 from nnoeabs.peaks (0.14, 8.30, 120.51 ppm; 5.07 A): 3 out of 3 assignments used, quality = 0.84: QD2 LEU 84 + H CYS 87 OK 72 100 - 72 - 7548/3.6=19, 7547/3.6=18...(14) QG1 VAL 110 + H CYS 87 OK 30 100 - 30 - 7548/3.6=8, 7547/3.6=7...(7) QD2 LEU 51 + H CYS 87 OK 19 87 - 21 - 7547/3.6=5, 7548/3.6=4...(6) Peak 7536 from nnoeabs.peaks (0.75, 8.30, 120.51 ppm; 4.59 A): 4 out of 8 assignments used, quality = 0.96: QD1 LEU 84 + H CYS 87 OK 62 100 - 63 - 2.1/7529=19, 3.9/1702=14...(14) QD1 LEU 91 + H CYS 87 OK 56 100 - 56 - 7588/3.0=11, 8375/3.6=9...(14) QD2 LEU 93 + H CYS 87 OK 55 99 - 56 - 8522/3.6=10, 2.1/7528=9...(13) QG2 ILE 63 + H CYS 87 OK 39 96 - 41 - 7142/3.6=11, 3.2/7527=6...(11) HG LEU 111 - H CYS 87 OK 30 100 - 30 - 8522/3.6=5, 7535/3.0=4...(7) QD2 LEU 111 - H CYS 87 OK 25 90 - 27 - 7535/3.0=4, 8522/3.6=4...(7) QD1 LEU 114 - H CYS 87 OK 17 71 - 23 - 4.4/1712=5, 2.1/7528=4...(6) QG2 VAL 66 - H CYS 87 OK 11 73 - 16 - 7191/3.6=3, ~7530=2...(6) Peak 7549 from nnoeabs.peaks (7.10, 7.86, 106.36 ppm; 4.99 A): 5 out of 5 assignments used, quality = 0.91: H LEU 93 + H GLY 88 OK 70 99 - 70 - 7518/3.6=16, 7520/4.2=14...(16) QD PHE 83 + H GLY 88 OK 37 90 - 41 - 2.5/1709=10, 4.6/404=6...(10) HZ PHE 96 + H GLY 88 OK 29 87 - 33 - 7518/3.6=7, 7520/4.2=7...(9) HE ARG 92 + H GLY 88 OK 24 98 - 25 - 7518/3.6=4, 6.9/1491=4...(7) QD PHE 40 + H GLY 88 OK 12 78 - 16 - 4.5/1707=3, 7517/4.7=2...(4) Peak 7550 from nnoeabs.peaks (1.43, 7.86, 106.36 ppm; 4.07 A): 4 out of 14 assignments used, quality = 0.93: QB ALA 89 + H GLY 88 OK 85 99 - 86 - 4.8=60, 2.9/433=22...(13) HB3 LEU 91 + H GLY 88 OK 35 100 - 36 - 7585/3.6=6, 4.2/1491=6...(11) HD2 LYS 65 + H GLY 88 OK 16 98 - 16 - 2.9/7552=3, 2.9/7552=3 HD3 LYS 65 + H GLY 88 OK 16 98 - 16 - 2.9/7552=3, 2.9/7552=3 HB3 LEU 101 - H GLY 88 poor 10 100 - 10 - 3.1/7552=2 HG2 LYS 119 - H GLY 88 poor 8 68 - 12 - 1.8/7551=3, 7531/3.6=1 HD2 LYS 46 - H GLY 88 poor 7 73 - 10 - 2.9/7551=2, 2.9/7551=2 QB ALA 98 - H GLY 88 lone 7 97 - 8 - 8662=1 HG LEU 24 - H GLY 88 lone 5 90 - 6 - HB3 GLU 75 - H GLY 88 lone 5 90 - 5 - HB2 LEU 51 - H GLY 88 lone 4 93 - 4 - HB3 LEU 45 - H GLY 88 lone 4 90 - 4 - QB ALA 122 - H GLY 88 lone 3 81 - 4 - HG3 LYS 31 - H GLY 88 lone 2 60 - 3 - Peak 7551 from nnoeabs.peaks (1.32, 7.86, 106.36 ppm; 4.44 A): 8 out of 9 assignments used, quality = 0.92: HG CYS 87 + H GLY 88 OK 64 97 - 66 - 3.4/432=32, 3.4/431=25...(7) HB3 LEU 84 + H GLY 88 OK 46 95 - 49 - 3.0/1709=14, 7543/4.2=8...(8) QG2 THR 23 + H GLY 88 OK 18 99 - 18 - 6450/4.7=6, 3.2/1708=3...(7) HG3 LYS 119 + H GLY 88 OK 16 100 - 16 - 1.8/7550=2, 7525/4.7=2...(5) QB ALA 43 + H GLY 88 OK 14 97 - 14 - 2.1/1708=4, 3.6/1491=2...(4) QG2 THR 17 + H GLY 88 OK 14 99 - 14 - 7525/4.7=2, 4.4/1707=1...(6) HG2 LYS 46 + H GLY 88 OK 11 99 - 11 - 7532/3.6=1, 7543/4.2=1...(5) HG3 LYS 46 + H GLY 88 OK 11 99 - 11 - 7532/3.6=1, 7543/4.2=1...(5) HB3 LEU 59 - H GLY 88 lone 4 76 - 5 - 3.2/7553=3 Peak 7552 from nnoeabs.peaks (0.97, 7.86, 106.36 ppm; 4.44 A): 6 out of 7 assignments used, quality = 0.76: QG2 THR 95 + H GLY 88 OK 49 100 - 49 - 8529/4.2=24, 8530/4.2=13...(7) QG2 ILE 124 + H GLY 88 OK 16 93 - 17 - 5937/4.7=3, 7539/4.2=3...(5) HG3 LYS 65 + H GLY 88 OK 15 98 - 16 - 2.9/7550=3, 2.9/7550=3...(7) HG2 LYS 65 + H GLY 88 OK 15 98 - 16 - 2.9/7550=3, 2.9/7550=3...(7) QG1 VAL 18 + H GLY 88 OK 13 95 - 13 - 3.2/1709=3, 7539/4.2=2...(5) QD1 LEU 101 + H GLY 88 OK 11 93 - 12 - 3.1/7550=2, 7539/4.2=1...(4) QD2 LEU 58 - H GLY 88 lone 5 78 - 6 - 4.8/1710=2 Peak 7553 from nnoeabs.peaks (0.85, 7.86, 106.36 ppm; 4.76 A): 7 out of 9 assignments used, quality = 0.92: QD1 LEU 93 + H GLY 88 OK 52 85 - 61 - 8523/4.2=17, 7533/3.6=10...(15) QD2 LEU 55 + H GLY 88 OK 39 100 - 39 - 7005/4.7=9, 7533/3.6=8...(10) HG13 ILE 22 + H GLY 88 OK 37 97 - 38 - 2168/4.7=8, 7533/3.6=7...(15) QD2 LEU 114 + H GLY 88 OK 29 100 - 29 - 4.4/433=5, 7533/3.6=4...(9) QD1 LEU 59 + H GLY 88 OK 19 99 - 20 - 7083/3.6=6, 7528/4.7=2...(4) QG1 VAL 115 + H GLY 88 OK 15 87 - 17 - 7533/3.6=3, 7528/4.7=2...(5) HG13 ILE 80 + H GLY 88 OK 11 81 - 13 - 4.0/6126=2, 2.1/7396=2...(4) HB2 ASN 118 - H GLY 88 lone 5 68 - 8 - 4.0/1710=2 QD2 LEU 126 - H GLY 88 lone 4 73 - 6 - 4.7/1710=3 Peak 7554 from nnoeabs.peaks (0.77, 7.86, 106.36 ppm; 5.06 A): 6 out of 7 assignments used, quality = 0.83: QD2 LEU 93 + H GLY 88 OK 39 85 - 46 - 4.7/7549=10, 2.1/7553=10...(10) QG2 ILE 63 + H GLY 88 OK 31 95 - 33 - 7142/4.2=11, 3.2/7128=7...(7) QD1 LEU 84 + H GLY 88 OK 30 68 - 45 - 3.9/1709=15, 3.1/7551=9...(8) QG2 VAL 66 + H GLY 88 OK 18 100 - 18 - 7191/4.2=5, 3675/4.6=3...(4) QD1 ILE 22 + H GLY 88 OK 17 65 - 27 - 2.1/7553=7, 2175/4.7=6...(8) HG LEU 111 + H GLY 88 OK 14 76 - 19 - 8522/4.2=4, 7541/4.2=2...(4) QD1 LEU 111 - H GLY 88 poor 9 76 - 11 - 7900/3.6=4, 7908/4.2=1 Peak 7557 from nnoeabs.peaks (0.14, 7.97, 121.40 ppm; 4.55 A): 5 out of 6 assignments used, quality = 0.91: QG1 VAL 110 + H LEU 114 OK 72 100 - 72 - 7866=27, 3.2/6217=14...(12) QD2 LEU 84 + H LEU 114 OK 38 100 - 38 - 7946/4.4=8, 7934/4.7=6...(12) QD2 LEU 51 + H LEU 114 OK 30 87 - 35 - 7946/4.4=12, 6928/4.4=9...(8) QG1 VAL 110 + H ALA 89 OK 15 90 - 17 - 3.2/6217=4, 7668/2.9=2...(4) QD2 LEU 84 + H ALA 89 OK 11 90 - 12 - 7529/1704=2, 7668/2.9=1 QD2 LEU 51 - H ALA 89 lone 6 73 - 8 - Peak 7558 from nnoeabs.peaks (0.93, 7.97, 121.40 ppm; 4.17 A): 10 out of 24 assignments used, quality = 0.92: QG2 VAL 115 + H LEU 114 OK 50 99 - 51 - 5113/4.6=17, 4.3/1764=9...(13) QD1 LEU 117 + H LEU 114 OK 33 76 - 44 - ~7941=11, ~8015=10...(9) QD1 LEU 55 + H LEU 114 OK 21 100 - 21 - 2.1/1357=3, 4.0/1763=3...(6) QG2 ILE 22 + H LEU 114 OK 19 99 - 19 - 6433/3.6=3, 1363/4.6=3...(5) QD1 LEU 41 + H LEU 114 OK 18 100 - 18 - 8412=5, 1363/4.6=2...(5) QD1 ILE 63 + H LEU 114 OK 18 98 - 18 - 3.2/7123=4, 7129/4.6=2...(4) QD1 ILE 63 + H ALA 89 OK 16 86 - 19 - 7128/4.6=4, 3.2/7123=4, ~7145=1 QG2 ILE 22 + H ALA 89 OK 15 87 - 17 - 4.0/1712=2, 6435/3.6=1...(5) QG2 VAL 115 + H ALA 89 OK 14 87 - 16 - 4.0/1517=3, 3.2/1765=2...(6) QD1 LEU 55 + H ALA 89 OK 12 90 - 14 - 2.1/1357=2, ~7565=2...(4) QD1 LEU 41 - H ALA 89 poor 9 90 - 10 - 8412=2 HB2 GLN 42 - H LEU 114 poor 9 92 - 10 - 4.0/1764=2, 1363/4.6=1...(4) QD1 LEU 27 - H LEU 114 lone 8 99 - 8 - 8412=2, 1363/4.6=1 QD2 LEU 27 - H LEU 114 lone 8 98 - 8 - 2.1/8412=1, 1363/4.6=1 QG2 ILE 124 - H LEU 114 poor 8 68 - 11 - 2.1/1356=3, 5349/4.7=2 QG2 VAL 49 - H LEU 114 lone 6 96 - 6 - QD2 LEU 27 - H ALA 89 lone 5 86 - 6 - QD1 LEU 27 - H ALA 89 lone 5 88 - 6 - HB2 GLN 42 - H ALA 89 lone 5 78 - 6 - 4.6/1452=1, 4.0/1764=1 QG2 ILE 124 - H ALA 89 lone 4 56 - 7 - QD1 LEU 117 - H ALA 89 lone 3 62 - 5 - ~7564=1 QG2 VAL 49 - H ALA 89 lone 3 82 - 4 - QD1 LEU 126 - H LEU 114 lone 3 73 - 4 - QD1 LEU 126 - H ALA 89 lone 2 60 - 4 - Peak 7559 from nnoeabs.peaks (1.32, 7.97, 121.40 ppm; 4.34 A): 10 out of 18 assignments used, quality = 0.92: QG2 THR 17 + H LEU 114 OK 41 99 - 41 - 6336/4.4=6, 1982=6...(12) HG3 LYS 46 + H LEU 114 OK 34 99 - 34 - 7943/4.0=6, 7942/4.0=5...(12) HG2 LYS 46 + H LEU 114 OK 34 99 - 34 - 7943/4.0=6, 7942/4.0=5...(12) HB3 LEU 84 + H LEU 114 OK 24 95 - 26 - 3.1/7557=6, 7942/4.0=4...(8) QB ALA 43 + H LEU 114 OK 20 97 - 21 - 7962/4.6=2, 5573=2...(9) HG CYS 87 + H ALA 89 OK 19 85 - 23 - 4.6/6164=8, 7551/4.6=7...(5) HG3 LYS 119 + H LEU 114 OK 12 100 - 12 - 7962/4.6=2, 4.9/576=2 HB3 LEU 84 + H ALA 89 OK 11 81 - 13 - 7551/4.6=5, 3.1/7557=2...(4) HG CYS 87 + H LEU 114 OK 10 97 - 11 - 4.6/6164=3, 5.6/1704=3 HB3 LEU 59 + H LEU 114 OK 10 76 - 13 - 7959/4.4=3, 7943/4.0=2...(6) QB ALA 43 - H ALA 89 poor 9 84 - 11 - 2.9/1452=2, 5573=2...(4) QG2 THR 17 - H ALA 89 lone 8 88 - 10 - 7551/4.6=2 HG3 LYS 119 - H ALA 89 lone 8 90 - 9 - 7551/4.6=2 HG2 LYS 46 - H ALA 89 lone 8 88 - 9 - 7551/4.6=1 HG3 LYS 46 - H ALA 89 lone 8 88 - 9 - 7551/4.6=1 QG2 THR 23 - H LEU 114 lone 6 99 - 6 - QG2 THR 23 - H ALA 89 lone 5 88 - 6 - 7551/4.6=2 HB3 LEU 59 - H ALA 89 lone 2 62 - 4 - Peak 7567 from nnoeabs.peaks (1.11, 7.72, 110.55 ppm; 4.81 A): 3 out of 4 assignments used, quality = 0.82: QG2 THR 62 + H SER 90 OK 68 100 - 69 - 7578/3.8=28, 7574/3.8=28...(8) QG2 VAL 120 + H SER 90 OK 29 92 - 31 - 7574/3.8=6, 7564/3.6=5...(10) QD2 LEU 117 + H SER 90 OK 21 65 - 32 - 5910/4.6=4, 5910=4...(12) QG2 VAL 50 - H SER 90 lone 6 65 - 9 - 3.2/1720=4, 7564/3.6=2 Peak 7568 from nnoeabs.peaks (0.82, 7.72, 110.55 ppm; 4.16 A): 4 out of 10 assignments used, quality = 0.91: QD2 LEU 91 + H SER 90 OK 67 99 - 68 - 3.1/7570=13, 4400/4.6=10...(16) QD1 LEU 93 + H SER 90 OK 55 99 - 56 - 8525/3.0=15, 8526/3.8=13...(14) HB2 ASN 118 + H SER 90 OK 23 100 - 23 - 5178=5, 5178/4.6=3...(8) HG13 ILE 22 + H SER 90 OK 18 92 - 19 - 7579/3.8=3, 7575/3.8=2...(5) QD1 LEU 59 - H SER 90 OK 17 85 - 20 - 4.6/271=3, 7579/3.8=3...(7) QD2 LEU 55 - H SER 90 OK 17 71 - 24 - 7579/3.8=3, 7020=3...(10) QG1 VAL 115 - H SER 90 OK 16 99 - 16 - 3.2/6243=3, 7572/3.0=2...(6) QD1 LEU 111 - H SER 90 OK 13 68 - 18 - 2.1/7569=3, 2.1/7569=2...(7) QD2 LEU 114 - H SER 90 OK 11 60 - 19 - 4.4/436=4, 4.0/6241=2...(7) QD1 ILE 22 - H SER 90 poor 10 78 - 12 - ~7572=1, 7572/3.0=1...(5) Peak 7569 from nnoeabs.peaks (0.75, 7.72, 110.55 ppm; 4.85 A): 7 out of 7 assignments used, quality = 0.95: QD1 LEU 91 + H SER 90 OK 70 97 - 72 - 3.1/7570=17, 2.1/7568=12...(16) QD2 LEU 93 + H SER 90 OK 54 100 - 54 - ~8525=12, 7576/3.8=10...(16) HG LEU 111 + H SER 90 OK 26 100 - 26 - 1221/4.6=3, 2.1/5018=3...(10) QG2 ILE 63 + H SER 90 OK 19 99 - 19 - 7123/4.5=4, 7145/3.6=3...(5) QD2 LEU 111 + H SER 90 OK 18 81 - 23 - 1221/4.6=3, 2.1/5018=3...(9) QG2 VAL 66 + H SER 90 OK 16 85 - 19 - 2.1/7570=5, 4.0/436=3...(5) QD1 LEU 84 + H SER 90 OK 10 99 - 10 - 7554/1718=1, 7535/6165=1...(4) Peak 7570 from nnoeabs.peaks (1.73, 7.72, 110.55 ppm; 4.50 A): 3 out of 12 assignments used, quality = 0.75: HB2 LEU 91 + H SER 90 OK 66 100 - 66 - 4379/4.6=13, 1.8/438=11...(16) HB VAL 66 + H SER 90 OK 15 90 - 17 - 1217/4.6=3, 4.0/436=3...(5) HB3 LEU 55 + H SER 90 OK 14 93 - 15 - 3.1/7020=3, 3.0/8639=3...(4) HB3 ARG 71 - H SER 90 lone 7 100 - 7 - 1217/4.6=2, 3.0/1212=1 HG2 ARG 71 - H SER 90 lone 6 96 - 7 - 1217/4.6=2, 4.0/1212=1 HB2 ARG 53 - H SER 90 lone 6 97 - 6 - 6046/1720=1 HB2 LYS 31 - H SER 90 lone 6 99 - 6 - 1217/4.6=1 HG3 ARG 71 - H SER 90 lone 4 71 - 6 - 4.0/1212=1, 1217/4.6=1 HB2 LEU 45 - H SER 90 lone 4 78 - 5 - HB3 LYS 46 - H SER 90 lone 4 83 - 4 - HB3 LEU 77 - H SER 90 lone 3 81 - 3 - HG2 GLN 42 - H SER 90 lone 1 63 - 2 - Peak 7580 from nnoeabs.peaks (7.10, 7.75, 120.20 ppm; 4.45 A): 3 out of 5 assignments used, quality = 0.88: H LEU 93 + H LEU 91 OK 79 97 - 81 - 7612=33, 7597/3.0=15...(17) HE ARG 92 + H LEU 91 OK 33 100 - 33 - 1495/4.6=8, 5.9/7583=7...(8) HZ PHE 96 + H LEU 91 OK 19 76 - 26 - 7582/4.0=6, 7581/4.0=5...(6) QD PHE 83 - H LEU 91 lone 6 97 - 6 - 7581/4.0=1 QD PHE 40 - H LEU 91 lone 4 89 - 5 - 7589/4.5=1 Peak 7583 from nnoeabs.peaks (4.19, 7.75, 120.20 ppm; 4.47 A): 2 out of 11 assignments used, quality = 0.62: HA ARG 92 + H LEU 91 OK 49 99 - 50 - 3.0/443=21, 3.6/7612=20...(9) HA VAL 66 + H LEU 91 OK 25 78 - 32 - 7176/3.0=7, 3.0/1494=6...(9) HA LEU 126 - H LEU 91 lone 7 90 - 8 - 1223/4.6=1 HA3 GLY 61 - H LEU 91 lone 5 100 - 5 - 3484/4.4=2, 1.8/441=1 HA ILE 22 - H LEU 91 lone 5 76 - 7 - 3.9/1220=2, 4.2/1220=2 HA PRO 68 - H LEU 91 lone 5 99 - 5 - 1223/4.6=2 HA GLU 56 - H LEU 91 lone 5 73 - 7 - 1223/4.6=2 HA CYS 52 - H LEU 91 lone 4 60 - 7 - 6943/7612=2, 6061/4.0=1 HA SER 13 - H LEU 91 lone 2 76 - 2 - HA VAL 26 - H LEU 91 lone 1 63 - 2 - HA SER 78 - H LEU 91 lone 1 71 - 2 - Peak 7591 from nnoeabs.peaks (3.81, 7.96, 116.66 ppm; 4.79 A): 5 out of 11 assignments used, quality = 0.90: HA2 GLY 88 + H ARG 92 OK 51 100 - 52 - 7592/3.0=10, 3.0/1491=10...(12) HA3 GLY 88 + H ARG 92 OK 50 99 - 51 - 7592/3.0=10, 3.0/1491=10...(12) HB2 SER 90 + H ARG 92 OK 50 97 - 51 - 4.4/443=17, 3.8/436=11...(9) HB2 SER 29 + H ARG 92 OK 11 100 - 11 - 7592/3.0=2, ~7592=2...(5) HB3 SER 29 + H ARG 92 OK 11 100 - 11 - 7592/3.0=2, ~7592=2...(5) HA THR 116 - H ARG 92 lone 7 78 - 9 - 7593/4.6=4, 7592/3.0=1 HA2 GLY 61 - H ARG 92 lone 7 92 - 7 - 7592/3.0=2, 1.8/1223=2 HA3 GLY 39 - H ARG 92 lone 6 100 - 6 - 6728/4.6=2, 7592/3.0=1 HA LYS 119 - H ARG 92 lone 6 71 - 9 - 6272/4.2=1, 3.0/1224=1...(4) HB2 SER 74 - H ARG 92 lone 1 65 - 2 - HB3 SER 74 - H ARG 92 lone 1 63 - 2 - Peak 7593 from nnoeabs.peaks (3.82, 7.09, 119.22 ppm; 3.93 A): 4 out of 11 assignments used, quality = 0.79: HA3 GLY 88 + H LEU 93 OK 38 100 - 38 - 3.0/7549=8, 1.8/6728=7...(9) HA2 GLY 88 + H LEU 93 OK 38 99 - 39 - 3.0/7549=8, 6728=8...(9) HB2 SER 90 + H LEU 93 OK 29 83 - 35 - 4.4/7612=13, 8526/4.7=7...(7) HA THR 116 + H LEU 93 OK 22 96 - 23 - 3.0/1231=5, 5120/3.0=4...(7) HA LYS 119 - H LEU 93 lone 7 92 - 8 - 3.0/452=1, 5194/3.8=1 HA3 GLY 39 - H LEU 93 lone 6 97 - 6 - 6728=2 HB3 SER 29 - H LEU 93 lone 6 100 - 6 - 7592/3.6=2 HB2 SER 29 - H LEU 93 lone 6 99 - 6 - 7592/3.6=2 HA LEU 77 - H LEU 93 lone 3 83 - 4 - HA2 GLY 61 - H LEU 93 lone 3 71 - 4 - 7592/3.6=1, 1.8/451=1 HA THR 19 - H LEU 93 lone 3 71 - 4 - Peak 7594 from nnoeabs.peaks (1.75, 7.09, 119.22 ppm; 4.21 A): 6 out of 16 assignments used, quality = 0.92: HB2 LEU 91 + H LEU 93 OK 70 89 - 79 - 4.0/7612=16, 1.8/7582=15...(20) HG LEU 117 + H LEU 93 OK 32 97 - 33 - 2.1/7998=22, 2.1/7003=5 HB2 LEU 117 + H LEU 93 OK 23 78 - 30 - 3.1/7998=18, 3.1/7003=4...(4) HB VAL 66 + H LEU 93 OK 22 100 - 22 - 3665/4.6=4, 4.0/450=3...(7) HB2 ARG 53 + H LEU 93 OK 21 97 - 22 - 4.0/1496=5, 3.0/453=3...(6) HB2 LYS 31 + H LEU 93 OK 15 65 - 23 - 2.9/1233=4, 1.8/452=3...(9) HG3 PRO 30 - H LEU 93 lone 9 96 - 9 - 3.8/7597=2 HB3 LYS 46 - H LEU 93 lone 8 100 - 8 - HB2 LEU 45 - H LEU 93 lone 8 100 - 8 - 6839/8743=1 HG2 ARG 71 - H LEU 93 lone 6 99 - 6 - HD2 LYS 109 - H LEU 93 lone 6 97 - 6 - HB3 ARG 71 - H LEU 93 lone 5 76 - 7 - 3.0/7597=1 HG3 ARG 71 - H LEU 93 lone 5 100 - 5 - HD3 LYS 109 - H LEU 93 lone 5 93 - 5 - HG2 GLN 42 - H LEU 93 lone 4 99 - 4 - HB2 GLU 75 - H LEU 93 lone 4 73 - 5 - Peak 7595 from nnoeabs.peaks (0.98, 7.09, 119.22 ppm; 4.69 A): 6 out of 9 assignments used, quality = 0.92: QD1 LEU 101 + H LEU 93 OK 49 100 - 49 - 8743=14, 2.1/7726=12...(11) QG2 THR 95 + H LEU 93 OK 47 99 - 47 - 7620=15, 7614/4.6=6...(14) QD2 LEU 58 + H LEU 93 OK 38 96 - 40 - 6349=5, 7610/3.8=5...(14) QG2 ILE 124 + H LEU 93 OK 26 73 - 35 - 8125/3.0=6, 8115/3.8=6...(9) QD1 LEU 58 + H LEU 93 OK 24 83 - 29 - 7062/3.8=5, 2.1/6349=4...(10) HG3 LYS 65 + H LEU 93 OK 19 100 - 19 - 7614/4.6=2, 7610/3.8=2...(7) HG2 LYS 65 - H LEU 93 OK 19 100 - 19 - 7614/4.6=2, 7610/3.8=2...(7) HB3 LEU 27 - H LEU 93 OK 18 71 - 26 - 3.1/6533=5, 1.8/1233=4...(8) QG1 VAL 18 - H LEU 93 OK 17 100 - 17 - 6349=2, 7610/3.8=1...(5) Peak 7596 from nnoeabs.peaks (2.28, 7.09, 119.22 ppm; 4.86 A): 5 out of 7 assignments used, quality = 0.95: HB2 CYS 87 + H LEU 93 OK 75 97 - 78 - 7520=25, 3.0/7518=18...(18) HB VAL 120 + H LEU 93 OK 36 85 - 42 - 7599/3.0=9, ~8064=7...(12) HG3 GLU 94 + H LEU 93 OK 33 97 - 34 - 4.9/458=17, 7599/3.0=4...(7) HG3 GLN 105 + H LEU 93 OK 29 100 - 29 - 7599/3.0=5, ~7599=4...(11) HG2 GLN 105 + H LEU 93 OK 29 100 - 28 - 7599/3.0=5, 3.0/453=4...(11) HG3 GLU 15 - H LEU 93 lone 4 63 - 6 - 6321/3.8=1 HG2 GLN 16 - H LEU 93 lone 1 68 - 2 - Peak 7597 from nnoeabs.peaks (4.51, 7.09, 119.22 ppm; 4.77 A): 4 out of 7 assignments used, quality = 0.87: HA LEU 91 + H LEU 93 OK 77 100 - 77 - 3.0/7612=25, 3.6/450=19...(11) HA LEU 101 + H LEU 93 OK 27 89 - 31 - 4.0/7726=8, 4.0/8743=8...(9) HA PRO 30 + H LEU 93 OK 14 99 - 14 - 444/4.6=3, 8245/7582=2...(6) HA LEU 27 + H LEU 93 OK 12 65 - 19 - 4.0/6533=4, 3.0/1233=4...(6) HA ARG 71 - H LEU 93 lone 7 71 - 9 - 444/4.6=2 HA PRO 70 - H LEU 93 lone 6 71 - 9 - ~8320=3, ~8319=1 HB THR 23 - H LEU 93 lone 4 99 - 4 - Peak 7612 from nnoeabs.peaks (7.75, 7.09, 119.22 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.83: H LEU 91 + H LEU 93 OK 79 99 - 80 - 7580=27, 3.0/7597=15...(16) H ASN 118 + H LEU 93 OK 19 89 - 22 - 443/4.6=4, 1377/4.7=3...(6) H ILE 124 - H LEU 93 lone 6 65 - 9 - 8108/3.8=3, 4.0/7595=2 H GLY 48 - H LEU 93 lone 5 93 - 5 - 6879/7726=1 H LEU 126 - H LEU 93 lone 5 60 - 8 - 2.9/451=1 Peak 7614 from nnoeabs.peaks (0.97, 8.54, 123.99 ppm; 4.65 A): 6 out of 7 assignments used, quality = 0.85: QG2 THR 95 + H GLU 94 OK 46 100 - 46 - 4550/4.6=23, 7620/4.6=8...(9) QD2 LEU 58 + H GLU 94 OK 29 78 - 37 - 7610/4.4=4, 3.1/462=4...(14) QG2 ILE 124 + H GLU 94 OK 25 93 - 27 - 8125/3.6=7, 8115/4.4=6...(6) QD1 LEU 101 + H GLU 94 OK 23 93 - 24 - 8743/4.6=7, 8445/4.4=3...(5) HG2 LYS 65 + H GLU 94 OK 17 98 - 17 - 7610/4.4=2, 7600/4.4=2...(8) HG3 LYS 65 + H GLU 94 OK 17 98 - 17 - 7610/4.4=2, 7600/4.4=2...(8) QG1 VAL 18 - H GLU 94 lone 9 95 - 9 - 6349/4.6=2, 7610/4.4=1...(4) Peak 7615 from nnoeabs.peaks (1.28, 8.54, 123.99 ppm; 4.53 A): 3 out of 7 assignments used, quality = 0.62: QG2 THR 116 + H GLU 94 OK 47 92 - 51 - 8171=26, 5128/3.6=8...(8) QG2 ILE 80 + H GLU 94 OK 19 89 - 21 - 7392/4.6=4, 4.0/1497=3...(7) QD1 ILE 80 + H GLU 94 OK 12 90 - 14 - 4.9/1497=2, 7608/4.4=2...(4) HB3 LEU 84 - H GLU 94 poor 8 65 - 13 - 3.1/463=3, 3.0/6149=3...(4) HG LEU 54 - H GLU 94 lone 6 100 - 6 - 5.2/235=2 QG2 THR 19 - H GLU 94 lone 3 65 - 4 - HG3 LYS 32 - H GLU 94 lone 3 73 - 3 - Peak 7622 from nnoeabs.peaks (0.13, 8.40, 115.99 ppm; 4.97 A): 3 out of 3 assignments used, quality = 0.84: QD2 LEU 84 + H THR 95 OK 67 99 - 68 - 7477/4.6=26, 7625/4.1=24...(4) QG1 VAL 110 + H THR 95 OK 40 99 - 41 - 7626/4.0=12, 7623/3.0=12...(6) QD2 LEU 51 + H THR 95 OK 22 63 - 34 - 7623/3.0=6, 7626/4.0=4...(10) Peak 7630 from nnoeabs.peaks (0.76, 7.39, 117.52 ppm; 4.13 A): 6 out of 7 assignments used, quality = 0.84: QD1 LEU 84 + H PHE 96 OK 67 97 - 69 - 2.1/7477=34, 7627/4.1=12...(13) QG2 VAL 66 + H PHE 96 OK 21 93 - 23 - 7198=5, 7627/4.1=3...(6) QG2 ILE 63 + H PHE 96 OK 13 100 - 12 - 7627/4.1=2, 7143/3.6=2...(6) QD2 LEU 93 + H PHE 96 OK 12 100 - 12 - 7627/4.1=4, 7624/4.4=2...(4) HG LEU 111 + H PHE 96 OK 12 99 - 12 - 7627/4.1=3, 7624/4.4=2...(4) QD1 LEU 91 + H PHE 96 OK 12 92 - 13 - 7484/2.9=4, 4713/4.5=2 QD2 LEU 111 - H PHE 96 lone 6 68 - 9 - 7624/4.4=2, 4266/7477=2 Peak 7631 from nnoeabs.peaks (0.14, 7.39, 117.52 ppm; 3.12 A): 3 out of 3 assignments used, quality = 0.77: QD2 LEU 84 + H PHE 96 OK 62 99 - 63 - 7477=27, 2.1/7630=9...(12) QG1 VAL 110 + H PHE 96 OK 29 99 - 29 - 4714/4.5=5, 7637/3.6=5...(8) QD2 LEU 51 + H PHE 96 OK 14 95 - 14 - 7623/3.6=2, 4714/4.5=2...(7) Peak 7632 from nnoeabs.peaks (1.90, 7.39, 117.52 ppm; 4.87 A): 3 out of 14 assignments used, quality = 0.91: HB2 LEU 84 + H PHE 96 OK 68 100 - 68 - 3.1/7477=34, 3.1/7630=18...(9) HG LEU 84 + H PHE 96 OK 64 93 - 69 - 2.1/7477=39, 2.1/7630=21...(9) HB ILE 80 + H PHE 96 OK 21 83 - 25 - 7633/3.6=6, 3.9/471=6...(7) HB2 ARG 81 - H PHE 96 poor 10 99 - 10 - 4262/7477=2, 7633/3.6=2 HB3 LYS 31 - H PHE 96 lone 8 89 - 8 - 5519=1 HB VAL 50 - H PHE 96 lone 7 89 - 7 - 4.5/471=2, 5602/4.6=2 HB ILE 22 - H PHE 96 lone 6 99 - 6 - HB2 GLU 28 - H PHE 96 lone 6 100 - 6 - 3.0/7641=1 HG LEU 55 - H PHE 96 lone 6 87 - 7 - 2.1/6912=1 HB2 LEU 21 - H PHE 96 lone 5 73 - 7 - 4244/7477=1, 7633/3.6=1 HB3 GLU 73 - H PHE 96 lone 5 98 - 5 - HB2 LYS 119 - H PHE 96 lone 4 89 - 5 - HB3 MET 11 - H PHE 96 lone 2 93 - 2 - HB2 ARG 92 - H PHE 96 lone 2 68 - 3 - Peak 7641 from nnoeabs.peaks (4.16, 7.39, 117.52 ppm; 4.82 A): 5 out of 13 assignments used, quality = 0.76: HB2 SER 113 + H PHE 96 OK 41 100 - 41 - 1.8/7642=14, 7927/4.5=13...(7) HA ALA 98 + H PHE 96 OK 32 81 - 39 - 3.0/1499=12, ~5815=7...(8) HA PHE 83 + H PHE 96 OK 20 97 - 21 - 4192/3.6=5, 3.0/1249=5...(7) HA PRO 68 + H PHE 96 OK 14 60 - 24 - ~8317=8, 4.8/1248=6...(4) HA SER 78 + H PHE 96 OK 14 97 - 14 - 3.6/1153=6, 3.0/7642=4 HA ILE 63 - H PHE 96 lone 8 83 - 9 - 3.2/7630=3, 4707/4.5=1 HA PRO 37 - H PHE 96 lone 8 92 - 8 - 4707/4.5=1, 8253/4.1=1 HA ASN 108 - H PHE 96 lone 7 92 - 8 - 4608/4.4=2, 4707/4.5=2 HA ILE 124 - H PHE 96 lone 7 89 - 8 - 3.2/474=1 HA GLU 28 - H PHE 96 lone 6 100 - 6 - HA GLU 56 - H PHE 96 lone 4 97 - 4 - HB3 SER 72 - H PHE 96 lone 3 85 - 3 - HA ARG 92 - H PHE 96 lone 1 63 - 2 - Peak 7642 from nnoeabs.peaks (4.29, 7.39, 117.52 ppm; 4.60 A): 5 out of 8 assignments used, quality = 0.65: HB3 SER 113 + H PHE 96 OK 33 95 - 35 - 4708/4.5=13, 1.8/7641=9...(7) HA GLU 94 + H PHE 96 OK 24 92 - 26 - 3.6/471=24 HA LYS 65 + H PHE 96 OK 14 100 - 14 - 4708/4.5=3, 4.0/474=2...(4) HB2 SER 78 + H PHE 96 OK 12 93 - 13 - 4.5/1153=5, 4708/4.5=3 HA LEU 114 + H PHE 96 OK 10 98 - 10 - 4708/4.5=4, 4705/6.5=2 HA GLN 103 - H PHE 96 lone 4 97 - 4 - 466/4.6=1 HA GLU 64 - H PHE 96 lone 2 65 - 3 - 466/4.6=2 HA ALA 122 - H PHE 96 lone 2 92 - 2 - Peak 7643 from nnoeabs.peaks (1.78, 9.21, 119.92 ppm; 5.03 A): 3 out of 14 assignments used, quality = 0.86: HD3 LYS 109 + H ASP 97 OK 61 90 - 68 - 1.8/7836=15, 7836=15...(12) HD2 LYS 109 + H ASP 97 OK 58 85 - 68 - 1.8/7836=15, 7836=15...(12) HB2 LYS 32 + H ASP 97 OK 17 100 - 17 - 8755/4.3=3, 7634/4.3=3...(6) HB3 ARG 92 - H ASP 97 lone 7 71 - 10 - 3.5/7644=4, 3.5/7644=4 HB2 GLU 75 - H ASP 97 lone 6 99 - 6 - 3954/4.4=2, 4.0/475=1 HG3 PRO 30 - H ASP 97 lone 5 87 - 6 - 7634/4.3=2, 7636/4.3=2 HG3 ARG 71 - H ASP 97 lone 3 71 - 5 - 3.6/481=1 HB2 PRO 37 - H ASP 97 lone 3 100 - 3 - HB2 LEU 117 - H ASP 97 lone 3 99 - 3 - HG LEU 117 - H ASP 97 lone 3 85 - 3 - HG2 GLN 42 - H ASP 97 lone 2 78 - 3 - HB3 GLU 56 - H ASP 97 lone 2 97 - 2 - HB2 PRO 60 - H ASP 97 lone 1 78 - 2 - HB2 LEU 45 - H ASP 97 lone 1 63 - 2 - Peak 7644 from nnoeabs.peaks (3.15, 9.21, 119.92 ppm; 4.64 A): 0 out of 6 assignments used, low quality = 0.00: HD3 ARG 57 - H ASP 97 poor 9 60 - 15 - 2.9/481=5, 7645/3.9=3...(4) HB2 HIS 10 - H ASP 97 lone 8 100 - 8 - 4.4/1725=4, 7645/3.9=2 HD2 ARG 92 - H ASP 97 lone 4 100 - 4 - 3.5/7643=1 HD3 ARG 92 - H ASP 97 lone 3 100 - 3 - 3.5/7643=1 HD3 ARG 81 - H ASP 97 lone 3 76 - 4 - 7645/3.9=1 HD2 ARG 53 - H ASP 97 lone 1 76 - 1 - Peak 7653 from nnoeabs.peaks (8.25, 9.21, 119.92 ppm; 4.74 A): 0 out of 4 assignments used, low quality = 0.43: H ASP 100 - H ASP 97 OK 36 65 - 55 - 3.8/7688=16, 4.6/486=14...(7) H GLU 69 - H ASP 97 OK 11 96 - 11 - 8736/3.6=8, 8736/476=2 H VAL 49 - H ASP 97 lone 4 100 - 4 - 6910/4.4=2 H TRP 20 - H ASP 97 lone 2 65 - 4 - 835/4.4=2 Peak 7658 from nnoeabs.peaks (7.26, 9.21, 128.57 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.95: QD PHE 96 + H ALA 98 OK 84 97 - 87 - 4702=20, 2.4/5816=18...(20) QE PHE 96 + H ALA 98 OK 68 90 - 75 - 2.2/4702=20, 4.4/5816=13...(16) HE ARG 57 - H ALA 98 OK 21 100 - 21 - 7654/4.6=4, 481/4.6=4...(6) H VAL 26 - H ALA 98 OK 14 96 - 14 - 6495/2.9=4, 7657/3.0=2...(5) HE ARG 71 - H ALA 98 lone 8 99 - 8 - ~8361=2, 7656/2.9=1 HD1 TRP 20 - H ALA 98 lone 3 73 - 5 - Peak 7660 from nnoeabs.peaks (1.28, 9.21, 128.57 ppm; 4.47 A): 3 out of 7 assignments used, quality = 0.85: QG2 ILE 80 + H ALA 98 OK 57 89 - 65 - 7429=22, 7410/3.0=11...(19) QD1 ILE 80 + H ALA 98 OK 51 90 - 57 - 3.2/7429=17, 8342/2.9=9...(17) HB3 LEU 84 + H ALA 98 OK 29 65 - 44 - 3.1/7482=16, ~7668=8...(11) QG2 THR 116 - H ALA 98 lone 6 92 - 6 - 7671/3.0=1 HG3 LYS 32 - H ALA 98 lone 4 73 - 5 - HG LEU 54 - H ALA 98 lone 2 100 - 2 - QG2 THR 19 - H ALA 98 lone 2 65 - 4 - Peak 7661 from nnoeabs.peaks (0.74, 9.21, 128.57 ppm; 3.65 A): 4 out of 8 assignments used, quality = 0.73: QD1 LEU 84 + H ALA 98 OK 50 100 - 51 - 7482=17, 7666/2.9=7...(15) HG LEU 111 + H ALA 98 OK 21 99 - 22 - 7666/2.9=4, 7662/3.0=3...(10) QD2 LEU 111 + H ALA 98 OK 20 97 - 21 - 7666/2.9=4, 7662/3.0=3...(9) QD1 LEU 91 + H ALA 98 OK 14 100 - 14 - 7666/2.9=3, 7484/3.6=2...(5) QD1 LEU 114 - H ALA 98 lone 8 83 - 9 - 7482=2, 7666/2.9=1 QG2 ILE 63 - H ALA 98 lone 7 89 - 8 - 7662/3.0=1, 7666/2.9=1 QD2 LEU 93 - H ALA 98 lone 6 97 - 6 - 7666/2.9=1 QG2 VAL 66 - H ALA 98 lone 1 60 - 1 - Peak 7672 from nnoeabs.peaks (1.25, 8.79, 113.48 ppm; 5.00 A): 3 out of 8 assignments used, quality = 0.90: QG2 ILE 80 + H ASN 99 OK 57 95 - 60 - 7429/4.6=15, 7665/3.5=13...(14) QD1 ILE 80 + H ASN 99 OK 53 93 - 57 - 7665/3.5=12, 7671/3.6=11...(15) HG LEU 77 + H ASN 99 OK 51 81 - 63 - 2.1/7341=30, ~7677=15...(7) HG13 ILE 124 - H ASN 99 lone 9 92 - 10 - 5363/3.6=2, 4.0/487=1...(4) QG2 THR 116 - H ASN 99 lone 9 92 - 9 - 7671/3.6=1, 7665/3.5=1 QG2 THR 19 - H ASN 99 lone 6 100 - 6 - HG3 LYS 32 - H ASN 99 lone 6 99 - 6 - 7671/3.6=1, 7729/1728=1 HG LEU 54 - H ASN 99 lone 2 63 - 3 - Peak 7673 from nnoeabs.peaks (0.73, 8.79, 113.48 ppm; 5.09 A): 4 out of 8 assignments used, quality = 0.72: QD1 LEU 84 + H ASN 99 OK 45 93 - 48 - 7482/4.6=14, ~7668=12...(10) QD2 LEU 111 + H ASN 99 OK 23 100 - 23 - 7666/3.5=5, 7661/4.6=5...(6) HG LEU 111 + H ASN 99 OK 21 89 - 23 - 7661/4.6=5, 7666/3.5=5...(5) QD1 LEU 91 + H ASN 99 OK 18 97 - 19 - 7666/3.5=4, 7661/4.6=4...(7) QD1 LEU 114 - H ASN 99 lone 9 97 - 9 - 7661/4.6=2, 7666/3.5=2 QG2 ILE 63 - H ASN 99 poor 8 65 - 13 - 7661/4.6=2, 7666/3.5=2...(4) QD2 LEU 93 - H ASN 99 lone 7 81 - 9 - 7666/3.5=1, 7661/4.6=1 QD2 LEU 54 - H ASN 99 lone 2 65 - 3 - Peak 7674 from nnoeabs.peaks (0.57, 8.79, 113.48 ppm; 4.54 A): 3 out of 4 assignments used, quality = 0.88: QD2 LEU 77 + H ASN 99 OK 76 100 - 76 - 7341=30, 7677/3.0=21...(11) QG1 VAL 50 + H ASN 99 OK 38 98 - 39 - 7677/3.0=10, 7667/3.5=7...(10) QD2 LEU 45 + H ASN 99 OK 19 81 - 24 - 7677/3.0=7, 7667/3.5=4...(6) HG12 ILE 34 - H ASN 99 lone 6 71 - 9 - 7677/3.0=2, 7667/3.5=2...(4) Peak 7675 from nnoeabs.peaks (2.62, 8.79, 113.48 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.76: HB3 ASP 97 + H ASN 99 OK 73 90 - 80 - 1.8/7650=31, 7652=31...(9) HG2 GLN 103 + H ASN 99 OK 12 78 - 16 - 7774/3.0=7, ~7775=5, ~7773=3 HB3 ASP 47 - H ASN 99 poor 7 63 - 10 - 485/4.6=3, 4603/7650=2...(4) Peak 7676 from nnoeabs.peaks (3.12, 8.79, 113.48 ppm; 4.95 A): 5 out of 10 assignments used, quality = 0.89: HB3 ASP 100 + H ASN 99 OK 61 99 - 61 - 3.8/1502=29, 4.3/1728=21...(10) HB3 CYS 76 + H ASN 99 OK 37 98 - 38 - 7332/3.0=15, ~7331=11...(7) HB2 PHE 107 + H ASN 99 OK 35 96 - 37 - 1.8/4620=8, 4.4/1723=6...(9) HD3 ARG 81 + H ASN 99 OK 18 99 - 18 - ~8361=7, ~8536=3...(5) HD3 ARG 57 + H ASN 99 OK 13 100 - 13 - 1270/4.6=2, 7645/7650=2...(5) HB2 HIS 10 - H ASN 99 poor 8 60 - 14 - 4.4/1502=10, 7645/7650=1 HB3 CYS 52 - H ASN 99 lone 7 99 - 7 - 6955/4.1=1 HD3 ARG 53 - H ASN 99 lone 3 63 - 4 - HD2 ARG 92 - H ASN 99 lone 2 71 - 3 - HD3 ARG 92 - H ASN 99 lone 2 68 - 3 - Peak 7681 from nnoeabs.peaks (0.69, 7.83, 112.68 ppm; 4.87 A): 3 out of 4 assignments used, quality = 0.71: QD1 LEU 77 + HD21 ASN 99 OK 60 100 - 60 - 7683/1.7=26, 2.1/7682=20...(6) HG3 GLU 75 + HD21 ASN 99 OK 18 98 - 18 - 7683/1.7=8, 3.6/6098=4...(5) QG1 VAL 66 + HD21 ASN 99 OK 13 100 - 13 - 7683/1.7=6, 7183/3.5=2 QD2 LEU 54 - HD21 ASN 99 lone 7 95 - 7 - 7683/1.7=3, ~6978=1 Peak 7682 from nnoeabs.peaks (0.59, 7.83, 112.68 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.82: QD2 LEU 77 + HD21 ASN 99 OK 64 87 - 74 - 2.1/7681=24, ~7683=20...(10) QG1 VAL 26 + HD21 ASN 99 OK 35 78 - 45 - 4.1/6540=9, 4.0/90=9...(8) QG1 VAL 50 + HD21 ASN 99 OK 21 73 - 28 - 7684/1.7=8, 7677/4.4=7...(5) Peak 7683 from nnoeabs.peaks (0.69, 6.76, 112.68 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.67: QD1 LEU 77 + HD22 ASN 99 OK 55 100 - 56 - 7681/1.7=22, 2.1/7684=17...(7) HG3 GLU 75 + HD22 ASN 99 OK 16 98 - 17 - 7681/1.7=7, 8553=3...(6) QG1 VAL 66 + HD22 ASN 99 OK 12 100 - 12 - 7681/1.7=5, 7183/3.5=1 QD2 LEU 54 - HD22 ASN 99 lone 6 95 - 7 - 7681/1.7=2 Peak 7684 from nnoeabs.peaks (0.57, 6.76, 112.68 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.90: QD2 LEU 77 + HD22 ASN 99 OK 79 100 - 79 - 2.1/7683=27, ~7681=20...(8) QG1 VAL 50 + HD22 ASN 99 OK 37 98 - 38 - 7677/4.4=9, 7680/3.5=8...(6) QD2 LEU 45 + HD22 ASN 99 OK 24 81 - 29 - 7680/3.5=6, 7677/4.4=6...(6) HG12 ILE 34 - HD22 ASN 99 lone 6 71 - 9 - 7677/4.4=2, 7680/3.5=1 Peak 7685 from nnoeabs.peaks (7.27, 8.22, 121.30 ppm; 4.98 A): 6 out of 14 assignments used, quality = 0.79: QD PHE 96 + H ASP 100 OK 51 100 - 52 - 4819/3.8=15, 4703/4.6=14...(7) HE ARG 57 + H ASP 100 OK 21 99 - 21 - 7687/3.8=6, 2.9/1270=3...(7) QE PHE 96 + H ASP 100 OK 19 68 - 28 - 4704/4.6=8, 7686/3.8=7...(6) QD PHE 96 + H MET 11 OK 14 94 - 15 - 4.4/1725=4, 4703/495=2...(4) HD1 TRP 20 + H MET 11 OK 13 85 - 15 - 3.9/5465=3, 3.9/5466=3...(4) HD1 TRP 20 + H ASP 100 OK 11 93 - 11 - 3.9/5465=2, 3.9/5466=2...(4) HZ PHE 40 - H ASP 100 poor 9 78 - 12 - 5.8/4636=5, 7687/3.8=3...(4) H VAL 26 - H ASP 100 poor 8 78 - 10 - 4.0/8230=3, 7687/3.8=1 HE ARG 57 - H MET 11 lone 6 91 - 7 - H VAL 26 - H MET 11 lone 6 69 - 9 - 4.0/8230=3, 6497/2098=1 QE PHE 96 - H MET 11 lone 5 60 - 8 - 7654/7651=1 HE ARG 71 - H ASP 100 lone 3 89 - 3 - HZ PHE 40 - H MET 11 lone 3 69 - 4 - HE ARG 71 - H MET 11 lone 2 80 - 2 - Peak 7691 from nnoeabs.peaks (2.61, 8.22, 121.30 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.83: HB3 ASP 97 + H ASP 100 OK 74 100 - 74 - 7651=33, 1.8/7649=29...(7) HB3 ASP 97 + H MET 11 OK 35 94 - 37 - 7651=16, 1.8/7649=13...(7) HB3 ASP 47 - H ASP 100 poor 10 95 - 10 - 4.0/6894=2, 4603/7649=2...(4) HB3 ASP 47 - H MET 11 lone 4 86 - 4 - 4.0/6894=1 Peak 7692 from nnoeabs.peaks (1.44, 8.22, 121.30 ppm; 4.69 A): 5 out of 34 assignments used, quality = 0.82: QB ALA 98 + H ASP 100 OK 49 90 - 55 - 3.5/1502=28, 2.9/1725=12...(8) HB3 LEU 101 + H ASP 100 OK 40 100 - 40 - 4.0/495=23, 4.6/1732=13...(5) QB ALA 98 + H MET 11 OK 22 81 - 27 - 3.5/1502=11, 4.5/5826=5...(5) HB3 LEU 101 + H MET 11 OK 15 94 - 16 - 4.0/495=8, 4.6/1732=5 HG3 ARG 57 + H ASP 100 OK 13 63 - 20 - 3.5/7685=3, ~7695=3...(7) HB3 LEU 45 - H ASP 100 lone 9 97 - 9 - 7679/4.6=3, 1274/4.6=2 QB ALA 14 - H ASP 100 poor 8 68 - 12 - 3.7/489=4, 6316/4.6=4 HB3 GLU 75 - H ASP 100 lone 8 97 - 9 - 7679/4.6=2, 7317/4.6=2 HD2 LYS 46 - H MET 11 lone 7 76 - 9 - 3.5/8594=3, ~1845=2...(4) HB3 LEU 91 - H ASP 100 lone 7 97 - 7 - 1274/4.6=3, 488/4.6=1 HD2 LYS 65 - H ASP 100 lone 6 100 - 6 - 1274/4.6=2, 7679/4.6=1 HD3 LYS 65 - H ASP 100 lone 6 100 - 6 - 1274/4.6=2, 7679/4.6=1 HG LEU 24 - H ASP 100 lone 6 97 - 6 - HB2 LEU 51 - H ASP 100 lone 5 85 - 6 - 1274/4.6=2 QB ALA 89 - H ASP 100 lone 5 100 - 5 - 7566/4.6=2 HB3 LEU 45 - H MET 11 lone 4 89 - 5 - HD2 LYS 46 - H ASP 100 lone 4 85 - 5 - 3.5/8594=1 HG LEU 24 - H MET 11 lone 4 89 - 4 - 2220/2126=1 HG2 LYS 119 - H MET 11 lone 3 72 - 5 - 5917/4.6=1 QB ALA 122 - H ASP 100 lone 3 68 - 4 - HG3 ARG 57 - H MET 11 lone 3 55 - 5 - HG2 LYS 119 - H ASP 100 lone 3 81 - 3 - HB2 LEU 93 - H MET 11 lone 2 60 - 4 - QB ALA 89 - H MET 11 lone 2 94 - 2 - QB ALA 14 - H MET 11 lone 2 60 - 4 - HG3 LYS 31 - H ASP 100 lone 2 73 - 3 - HB3 LEU 91 - H MET 11 lone 2 90 - 3 - HB3 GLU 75 - H MET 11 lone 2 89 - 2 - HD2 LYS 65 - H MET 11 lone 2 94 - 2 - HD3 LYS 65 - H MET 11 lone 2 94 - 2 - HB2 LEU 51 - H MET 11 lone 2 76 - 3 - HB2 LEU 93 - H ASP 100 lone 2 68 - 2 - QB ALA 122 - H MET 11 lone 2 60 - 3 - HG3 LYS 31 - H MET 11 lone 1 65 - 2 - Peak 7698 from nnoeabs.peaks (0.01, 6.97, 115.79 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 110 + H LEU 101 OK 91 100 - 91 - 7700/3.0=32, 7709/4.7=22...(17) Peak 7699 from nnoeabs.peaks (0.13, 6.97, 115.79 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.95: QG1 VAL 110 + H LEU 101 OK 92 100 - 92 - 2.1/7698=47, ~7700=29...(17) QD2 LEU 84 + H LEU 101 OK 41 100 - 41 - 7708/4.7=8, 7711/4.7=6...(13) QD2 LEU 51 - H LEU 101 OK 31 76 - 41 - 7711/4.7=10, 7708/4.7=7...(14) Peak 7729 from nnoeabs.peaks (1.27, 6.97, 115.79 ppm; 4.18 A): 5 out of 6 assignments used, quality = 0.91: QD1 ILE 80 + H LEU 101 OK 62 100 - 62 - 7398=19, 3.2/7393=12...(13) QG2 ILE 80 + H LEU 101 OK 59 100 - 59 - 7393=17, 3.2/7398=13...(13) HG3 LYS 32 + H LEU 101 OK 20 98 - 21 - 7730/4.0=3, 7706/4.7=2...(8) QG2 THR 116 + H LEU 101 OK 18 100 - 18 - 7987/4.7=4, 7706/4.7=2...(7) QG2 THR 19 + H LEU 101 OK 14 96 - 15 - 8421/3.0=5, 7736/4.6=2...(6) HG LEU 54 - H LEU 101 lone 7 95 - 7 - 7736/4.6=1 Peak 7735 from nnoeabs.peaks (0.58, 8.48, 119.10 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.88: QD2 LEU 77 + H TYR 102 OK 71 99 - 72 - 7350/4.0=23, 7349/4.0=20...(14) QG1 VAL 50 + H TYR 102 OK 29 93 - 31 - 7740/2.9=5, 4748/4.5=4...(10) QD2 LEU 45 + H TYR 102 OK 29 68 - 42 - 8154/4.9=8, 8153/4.9=7...(13) HG12 ILE 34 + H TYR 102 OK 18 57 - 31 - 7740/2.9=4, 2.1/6628=4...(12) Peak 7736 from nnoeabs.peaks (1.27, 8.48, 119.10 ppm; 3.86 A): 5 out of 6 assignments used, quality = 0.94: QD1 ILE 80 + H TYR 102 OK 73 99 - 73 - 7414/4.0=17, 7394=14...(16) QG2 ILE 80 + H TYR 102 OK 61 99 - 62 - 7390=10, 3.2/7394=8...(17) HG3 LYS 32 + H TYR 102 OK 19 93 - 21 - 7729/4.6=2, 7730/4.6=2...(11) QG2 THR 19 + H TYR 102 OK 19 89 - 21 - 6378/2.9=4, 8421/3.6=3...(12) QG2 THR 116 + H TYR 102 OK 16 100 - 16 - 7987/4.9=3, 7729/4.6=2...(5) HG LEU 54 - H TYR 102 lone 9 99 - 9 - 7757/4.5=2 Peak 7763 from nnoeabs.peaks (7.24, 7.71, 111.47 ppm; 3.94 A): 3 out of 7 assignments used, quality = 0.75: QD TYR 102 + HE21 GLN 103 OK 63 95 - 67 - 4735=23, 7764/1.7=16...(11) H LYS 65 + HE21 GLN 103 OK 24 78 - 31 - 7762/3.5=8, 7761/3.5=7...(8) QE PHE 40 + HE21 GLN 103 OK 10 90 - 11 - 7764/1.7=3, 7761/3.5=2...(5) QE PHE 96 - HE21 GLN 103 lone 9 98 - 9 - 7764/1.7=3 H VAL 26 - HE21 GLN 103 lone 5 95 - 5 - 7764/1.7=2, 4.0/7776=1 HE ARG 57 - HE21 GLN 103 lone 2 65 - 3 - HE ARG 71 - HE21 GLN 103 lone 1 87 - 1 - Peak 7764 from nnoeabs.peaks (7.24, 6.90, 111.47 ppm; 4.50 A): 4 out of 7 assignments used, quality = 0.76: QD TYR 102 + HE22 GLN 103 OK 61 87 - 70 - 7763/1.7=25, 4740/3.5=17...(13) H LYS 65 + HE22 GLN 103 OK 23 65 - 35 - 7763/1.7=9, 7762/3.5=9...(8) QE PHE 40 + HE22 GLN 103 OK 11 81 - 13 - 7763/1.7=4, 7761/3.5=2...(4) QE PHE 96 + HE22 GLN 103 OK 10 100 - 10 - 7763/1.7=3, 7761/3.5=1 H VAL 26 - HE22 GLN 103 lone 6 99 - 6 - 7763/1.7=2 HE ARG 71 - HE22 GLN 103 lone 1 95 - 2 - HE ARG 57 - HE22 GLN 103 lone 1 78 - 2 - Peak 7765 from nnoeabs.peaks (8.09, 7.89, 110.72 ppm; 4.39 A): 5 out of 7 assignments used, quality = 0.80: H GLN 105 + H GLN 103 OK 61 100 - 62 - 4.7/512=23, 3.6/7769=21...(8) H SER 78 + H GLN 103 OK 17 83 - 21 - 7766/2.9=4, 3.6/7770=4...(5) H THR 33 + H GLN 103 OK 16 99 - 16 - 1507/4.6=3, 2.9/7770=2...(6) H GLY 39 + H GLN 103 OK 16 100 - 16 - 4.6/506=4, 1507/4.6=3...(4) HD22 ASN 79 + H GLN 103 OK 12 93 - 13 - 4.4/1738=3, 8146/4.7=1 H LEU 24 - H GLN 103 lone 7 100 - 7 - 1507/4.6=1, 7766/2.9=1 H LEU 55 - H GLN 103 lone 6 63 - 10 - 3.0/507=2, 3.6/7769=2, ~7772=1 Peak 7767 from nnoeabs.peaks (1.26, 7.89, 110.72 ppm; 5.03 A): 3 out of 7 assignments used, quality = 0.92: QD1 ILE 80 + H GLN 103 OK 77 100 - 77 - 7396=36, 7414/4.6=24...(11) QG2 ILE 80 + H GLN 103 OK 55 100 - 55 - 3.2/7396=23, 7736/4.6=9...(8) QG2 THR 19 + H GLN 103 OK 27 99 - 27 - 6378/3.6=6, 7736/4.6=3...(10) HG3 LYS 32 - H GLN 103 OK 17 100 - 17 - 5.0/7765=3, 7736/4.6=3...(7) QG2 THR 116 - H GLN 103 OK 14 100 - 14 - 2.1/1737=3, 7736/4.6=2...(7) HG LEU 54 - H GLN 103 OK 10 87 - 12 - 7757/4.7=3, 3.7/7769=2...(5) HG13 ILE 124 - H GLN 103 lone 6 71 - 8 - 7738/3.6=1, 3.0/1287=1 Peak 7768 from nnoeabs.peaks (0.58, 7.89, 110.72 ppm; 4.79 A): 4 out of 4 assignments used, quality = 0.91: QD2 LEU 77 + H GLN 103 OK 81 99 - 82 - 7336=32, 7350/4.6=24...(11) QG1 VAL 50 + H GLN 103 OK 27 93 - 29 - 7740/3.6=5, 7735/4.6=5...(8) QD2 LEU 45 + H GLN 103 OK 21 68 - 31 - 7740/3.6=6, 4748/4.7=6...(8) HG12 ILE 34 + H GLN 103 OK 13 57 - 23 - 3.2/6622=4, 7740/3.6=4...(6) Peak 7769 from nnoeabs.peaks (3.72, 7.89, 110.72 ppm; 4.76 A): 1 out of 6 assignments used, quality = 0.57: HA2 GLY 104 + H GLN 103 OK 57 97 - 59 - 3.0/512=37, 3.6/7765=15...(4) HA LEU 54 - H GLN 103 lone 5 78 - 6 - 3.6/7765=1, 3.7/7767=1 HB3 SER 90 - H GLN 103 lone 2 99 - 2 - HB2 TRP 20 - H GLN 103 lone 2 83 - 2 - HA GLU 73 - H GLN 103 lone 2 87 - 2 - HA3 GLY 86 - H GLN 103 lone 2 100 - 2 - Peak 7770 from nnoeabs.peaks (3.85, 7.89, 110.72 ppm; 4.87 A): 7 out of 10 assignments used, quality = 0.90: HA3 GLY 104 + H GLN 103 OK 70 100 - 70 - 3.0/512=38, 1.8/7769=34...(4) HA LEU 77 + H GLN 103 OK 27 92 - 30 - 4.0/7336=19, 3.6/7765=4...(5) HA THR 33 + H GLN 103 OK 17 99 - 17 - 2.9/7765=5, 7771/2.9=3...(5) HA GLU 15 + H GLN 103 OK 16 100 - 16 - 4.1/1286=3, 7771/2.9=2...(7) HA THR 19 + H GLN 103 OK 14 97 - 15 - 3.2/7767=4, 7771/2.9=2...(4) HB2 SER 35 + H GLN 103 OK 13 100 - 13 - 7771/2.9=3, 3.0/5538=3...(4) HB THR 33 + H GLN 103 OK 12 98 - 12 - 4.0/7765=4, 7771/2.9=2...(4) HA THR 116 - H GLN 103 poor 8 76 - 10 - 3.0/1737=2, 3.2/7767=2 HB2 SER 13 - H GLN 103 lone 5 87 - 6 - 4.0/506=2, 1.8/5540=1 HA LYS 119 - H GLN 103 lone 5 83 - 6 - 7411/7396=1 Peak 7776 from nnoeabs.peaks (0.58, 7.71, 111.47 ppm; 5.11 A): 0 out of 3 assignments used, low quality = 0.33: QD2 LEU 77 - HE21 GLN 103 OK 33 95 - 35 - 7336/6.8=11, 7338/1.7=9...(7) QG1 VAL 50 - HE21 GLN 103 lone 7 85 - 8 - 7768/6.8=3, 4748/7763=1 QG1 VAL 26 - HE21 GLN 103 lone 3 65 - 5 - 4.0/7763=2 Peak 7777 from nnoeabs.peaks (7.21, 7.47, 107.96 ppm; 5.00 A): 5 out of 6 assignments used, quality = 0.85: QD TYR 102 + H GLY 104 OK 54 96 - 57 - 4.7/512=29, 4.5/7780=11...(9) H LYS 65 + H GLY 104 OK 31 100 - 31 - 300/3.6=7, 511/4.6=6...(8) QD PHE 107 + H GLY 104 OK 27 76 - 36 - 3.7/6192=7, 4.5/1739=6...(11) QE PHE 40 + H GLY 104 OK 19 98 - 20 - 6.5/7780=4, 511/4.6=4...(5) QD TYR 67 + H GLY 104 OK 19 97 - 19 - 2.2/7778=3, 4682/3.6=2...(5) HE ARG 81 - H GLY 104 lone 3 60 - 6 - Peak 7778 from nnoeabs.peaks (6.76, 7.47, 107.96 ppm; 5.06 A): 5 out of 7 assignments used, quality = 0.92: HE21 GLN 42 + H GLY 104 OK 80 100 - 80 - 1.7/7779=40, 8390/3.0=26...(12) H VAL 110 + H GLY 104 OK 34 76 - 44 - 3.6/4880=9, 4.0/7863=8...(9) HZ PHE 107 + H GLY 104 OK 23 96 - 24 - 3.8/7777=5, 7.2/6192=4...(9) QE TYR 67 + H GLY 104 OK 14 78 - 17 - 2.2/7777=5, 8313/4.7=1 H LEU 27 + H GLY 104 OK 10 98 - 10 - 4.6/7780=2, 8390/3.0=1...(4) HD22 ASN 99 - H GLY 104 lone 6 100 - 6 - HH2 TRP 20 - H GLY 104 lone 4 65 - 6 - Peak 7779 from nnoeabs.peaks (6.63, 7.47, 107.96 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.74: HE22 GLN 42 + H GLY 104 OK 74 97 - 76 - ~8390=20, 1.7/7778=19...(14) Peak 7780 from nnoeabs.peaks (8.48, 7.47, 107.96 ppm; 5.12 A): 3 out of 8 assignments used, quality = 0.75: H TYR 102 + H GLY 104 OK 56 100 - 56 - 4.6/512=30, 3.6/8568=17...(4) H PHE 40 + H GLY 104 OK 33 99 - 33 - 3.0/6018=6, 3.6/6016=6...(9) H LYS 31 + H GLY 104 OK 14 90 - 15 - 3.6/8568=8, 506/4.6=2 H GLU 28 - H GLY 104 poor 9 87 - 10 - 506/4.6=3, 4.6/7778=2 H LEU 77 - H GLY 104 poor 8 60 - 14 - 4.5/1507=4, 3.0/1294=3...(5) H LEU 84 - H GLY 104 lone 6 92 - 7 - 506/4.6=2 H SER 13 - H GLY 104 lone 5 83 - 6 - 506/4.6=2 H GLY 2 - H GLY 104 lone 3 99 - 2 - Peak 7781 from nnoeabs.peaks (1.98, 8.09, 117.34 ppm; 4.37 A): 3 out of 14 assignments used, quality = 0.60: HB3 GLN 103 + H GLN 105 OK 46 100 - 46 - 4.4/520=22, 3.0/7766=14...(8) HB2 MET 11 + H GLN 105 OK 17 99 - 18 - 3.0/1296=3, 1845/2.9=3...(9) HB2 LEU 41 + H GLN 105 OK 11 100 - 11 - 4.1/1585=3, 3.0/1298=2 HG LEU 114 - H GLN 105 lone 6 100 - 6 - HB2 LYS 46 - H GLN 105 lone 5 83 - 6 - 515/4.7=2 HB2 GLU 94 - H GLN 105 lone 5 83 - 6 - HG2 PRO 60 - H GLN 105 lone 4 92 - 4 - 2.3/1298=1 HB ILE 124 - H GLN 105 lone 4 100 - 4 - HB2 ARG 71 - H GLN 105 lone 3 100 - 3 - HB3 GLU 94 - H GLN 105 lone 3 73 - 5 - HG LEU 45 - H GLN 105 lone 3 99 - 3 - HG2 PRO 68 - H GLN 105 lone 3 100 - 3 - HB3 PRO 68 - H GLN 105 lone 3 100 - 3 - HB2 LEU 55 - H GLN 105 lone 2 76 - 3 - Peak 7783 from nnoeabs.peaks (2.91, 8.09, 117.34 ppm; 4.62 A): 3 out of 7 assignments used, quality = 0.75: HB2 ASN 106 + H GLN 105 OK 49 99 - 50 - 3.9/1508=24, 7805/2.9=9...(8) HB2 ASP 100 + H GLN 105 OK 40 92 - 44 - 3.0/7689=21, 7784/4.0=9...(6) HB2 PHE 40 + H GLN 105 OK 15 93 - 16 - 4.0/158=3, 4.7/1585=3...(6) HE2 LYS 32 - H GLN 105 lone 7 95 - 8 - 4.7/5527=1, 4.7/5528=1 HE3 LYS 32 - H GLN 105 lone 7 93 - 8 - 4.7/5527=1, 4.7/5528=1 HB3 ASN 12 - H GLN 105 lone 5 71 - 7 - 7782/4.0=2, 7784/4.0=2 HB3 PHE 96 - H GLN 105 lone 1 81 - 2 - Peak 7786 from nnoeabs.peaks (3.12, 8.63, 115.99 ppm; 4.77 A): 4 out of 10 assignments used, quality = 0.79: HB3 ASP 100 + H ASN 106 OK 54 99 - 55 - 3.0/7690=23, 1.8/1305=13...(10) HB2 PHE 107 + H ASN 106 OK 37 96 - 39 - 4.0/1509=29, 7803/3.9=7...(4) HD3 ARG 57 + H ASN 106 OK 16 100 - 16 - 3.5/526=3, 3.5/525=3...(7) HB3 CYS 76 + H ASN 106 OK 13 98 - 14 - 7803/3.9=3, 3.0/524=2...(6) HB3 CYS 52 - H ASN 106 lone 8 99 - 8 - 1311/4.6=3, 7803/3.9=1 HD3 ARG 81 - H ASN 106 lone 8 99 - 8 - 1311/4.6=3, 7803/3.9=1 HD3 ARG 53 - H ASN 106 poor 7 63 - 11 - 1311/4.6=4, 3.0/526=3 HB2 HIS 10 - H ASN 106 lone 3 60 - 5 - 3.0/1304=1, ~1830=1, 1826/2.9=1 HD2 ARG 92 - H ASN 106 lone 1 71 - 2 - HD3 ARG 92 - H ASN 106 lone 1 68 - 2 - Peak 7793 from nnoeabs.peaks (2.07, 7.81, 113.69 ppm; 5.04 A): 1 out of 16 assignments used, quality = 0.49: HB2 GLN 105 + HD21 ASN 106 OK 49 99 - 50 - 8674=20, 7797/1.7=16...(4) HB2 GLN 16 - HD21 ASN 106 lone 8 98 - 8 - 7797/1.7=3, ~7797=2, 525/5.7=2 HB2 ARG 57 - HD21 ASN 106 lone 8 100 - 8 - 7797/1.7=3, 525/5.7=2 HB3 GLN 16 - HD21 ASN 106 lone 8 97 - 8 - 7797/1.7=3, ~7797=2, 525/5.7=2 HG3 GLU 69 - HD21 ASN 106 lone 6 81 - 7 - 7797/1.7=2, 525/5.7=1...(4) HB3 ARG 81 - HD21 ASN 106 lone 6 87 - 6 - 7797/1.7=2, 8674=1 HG3 PRO 37 - HD21 ASN 106 lone 5 83 - 6 - 7797/1.7=2, 2.3/7795=1 HB2 LEU 114 - HD21 ASN 106 lone 4 96 - 4 - 7797/1.7=2 HB3 GLU 38 - HD21 ASN 106 lone 4 97 - 4 - 7797/1.7=1 HB ILE 63 - HD21 ASN 106 lone 4 99 - 4 - 7797/1.7=1 HG LEU 21 - HD21 ASN 106 lone 4 95 - 4 - 7797/1.7=1 HG2 GLU 64 - HD21 ASN 106 lone 3 100 - 3 - 7797/1.7=1 HB2 GLU 15 - HD21 ASN 106 lone 3 89 - 3 - 7797/1.7=1 HG3 PRO 60 - HD21 ASN 106 lone 2 73 - 2 - HG3 PRO 70 - HD21 ASN 106 lone 2 60 - 3 - HB2 GLU 56 - HD21 ASN 106 lone 2 57 - 3 - Peak 7794 from nnoeabs.peaks (1.86, 7.81, 113.69 ppm; 4.74 A): 3 out of 15 assignments used, quality = 0.85: HB3 LYS 109 + HD21 ASN 106 OK 80 100 - 81 - 7798/1.7=24, 7787/3.5=20...(10) HB2 LEU 58 + HD21 ASN 106 OK 13 97 - 13 - 7798/1.7=3, 7787/3.5=3...(5) HG12 ILE 22 + HD21 ASN 106 OK 11 95 - 12 - 3.9/6421=3, 3.2/6427=3...(4) HB3 GLU 28 - HD21 ASN 106 lone 8 99 - 7 - 7798/1.7=2, 7787/3.5=2 HB2 LYS 119 - HD21 ASN 106 lone 5 76 - 7 - 7787/3.5=2, 7798/1.7=1 HB2 GLU 69 - HD21 ASN 106 lone 5 65 - 8 - 7798/1.7=2, 3.0/7793=2, ~7797=1 HG3 PRO 68 - HD21 ASN 106 lone 4 99 - 5 - 7798/1.7=1 HB2 ARG 92 - HD21 ASN 106 lone 4 93 - 4 - HB3 LYS 31 - HD21 ASN 106 lone 3 76 - 4 - HG3 GLU 73 - HD21 ASN 106 lone 3 81 - 3 - HG2 GLU 73 - HD21 ASN 106 lone 3 78 - 3 - HG LEU 55 - HD21 ASN 106 lone 2 78 - 3 - HG LEU 41 - HD21 ASN 106 lone 2 63 - 3 - HB VAL 50 - HD21 ASN 106 lone 2 76 - 2 - HG LEU 84 - HD21 ASN 106 lone 1 68 - 2 - Peak 7795 from nnoeabs.peaks (1.78, 7.81, 113.69 ppm; 4.33 A): 2 out of 15 assignments used, quality = 0.97: HD3 LYS 109 + HD21 ASN 106 OK 83 97 - 86 - 7835=16, 7799/1.7=16...(15) HD2 LYS 109 + HD21 ASN 106 OK 80 93 - 86 - 7835=16, 7799/1.7=16...(15) HB3 LYS 46 - HD21 ASN 106 poor 9 71 - 13 - 3.5/7796=2, 7799/1.7=2...(6) HB2 LEU 45 - HD21 ASN 106 lone 7 76 - 9 - 7799/1.7=1, 2884=1, 1.8/2891=1 HB2 PRO 37 - HD21 ASN 106 lone 5 97 - 5 - 2.3/7793=1 HB2 LEU 117 - HD21 ASN 106 lone 5 100 - 4 - HG LEU 117 - HD21 ASN 106 lone 4 93 - 5 - HG2 GLN 42 - HD21 ASN 106 lone 4 89 - 5 - HB2 LYS 32 - HD21 ASN 106 lone 4 97 - 4 - HG3 PRO 30 - HD21 ASN 106 lone 3 95 - 3 - HB2 GLU 75 - HD21 ASN 106 lone 2 100 - 2 - HB3 GLU 56 - HD21 ASN 106 lone 2 90 - 2 - HG3 ARG 71 - HD21 ASN 106 lone 2 83 - 2 - HB2 PRO 60 - HD21 ASN 106 lone 1 65 - 2 - HB VAL 66 - HD21 ASN 106 lone 1 60 - 2 - Peak 7796 from nnoeabs.peaks (1.55, 7.81, 113.69 ppm; 5.01 A): 5 out of 8 assignments used, quality = 0.93: HG3 LYS 109 + HD21 ASN 106 OK 87 100 - 87 - 7800/1.7=26, 7789/3.5=21...(11) HB3 LYS 65 + HD21 ASN 106 OK 19 98 - 19 - 7800/1.7=5, 7789/3.5=4...(5) HB2 LYS 65 + HD21 ASN 106 OK 19 98 - 19 - 7800/1.7=5, 7789/3.5=4...(5) HG12 ILE 124 + HD21 ASN 106 OK 13 100 - 13 - 7800/1.7=3, 7789/3.5=2, 5355=1 HD3 LYS 46 + HD21 ASN 106 OK 12 71 - 18 - 7800/1.7=4, 7789/3.5=3...(7) HG2 ARG 57 - HD21 ASN 106 lone 4 65 - 6 - 3.0/7793=2, ~7797=2 HG2 ARG 81 - HD21 ASN 106 lone 3 65 - 4 - 2.9/7793=2, ~7797=1 HG3 ARG 81 - HD21 ASN 106 lone 3 65 - 4 - 2.9/7793=2, ~7797=1 Peak 7797 from nnoeabs.peaks (2.07, 6.94, 113.69 ppm; 4.95 A): 0 out of 16 assignments used, low quality = 0.36: HB2 GLN 105 - HD22 ASN 106 OK 36 99 - 37 - 7793/1.7=17, 525/5.7=13 HB2 GLN 16 - HD22 ASN 106 lone 7 98 - 7 - 7793/1.7=3, ~7793=2, 525/5.7=1 HB3 GLN 16 - HD22 ASN 106 lone 7 97 - 7 - 7793/1.7=3, ~7793=2, 525/5.7=1 HB2 ARG 57 - HD22 ASN 106 lone 6 100 - 6 - 7793/1.7=3, 525/5.7=2 HG3 GLU 69 - HD22 ASN 106 lone 5 81 - 7 - 7793/1.7=2, 3.0/7798=2 HG3 PRO 37 - HD22 ASN 106 lone 4 83 - 5 - 7793/1.7=2 HB3 ARG 81 - HD22 ASN 106 lone 4 87 - 4 - 7793/1.7=2 HB2 LEU 114 - HD22 ASN 106 lone 3 96 - 4 - 7793/1.7=1 HB ILE 63 - HD22 ASN 106 lone 3 99 - 3 - 7793/1.7=1 HB3 GLU 38 - HD22 ASN 106 lone 3 97 - 3 - 7793/1.7=1 HG LEU 21 - HD22 ASN 106 lone 3 95 - 3 - 7793/1.7=1 HG2 GLU 64 - HD22 ASN 106 lone 2 100 - 2 - HB2 GLU 15 - HD22 ASN 106 lone 2 89 - 3 - HG3 PRO 60 - HD22 ASN 106 lone 1 73 - 2 - HB2 GLU 56 - HD22 ASN 106 lone 1 57 - 2 - HG3 PRO 70 - HD22 ASN 106 lone 1 60 - 2 - Peak 7798 from nnoeabs.peaks (1.86, 6.94, 113.69 ppm; 4.58 A): 2 out of 15 assignments used, quality = 0.77: HB3 LYS 109 + HD22 ASN 106 OK 74 98 - 76 - 7794/1.7=20, 2.9/7800=18...(9) HB2 LEU 58 + HD22 ASN 106 OK 11 92 - 12 - 7794/1.7=3, 7787/3.5=3...(4) HG12 ILE 22 - HD22 ASN 106 lone 8 99 - 8 - 7794/1.7=3, ~6427=2 HB3 GLU 28 - HD22 ASN 106 lone 6 95 - 7 - 7794/1.7=2, 7787/3.5=2 HB2 GLU 69 - HD22 ASN 106 lone 5 78 - 7 - 3.0/7797=2, 7794/1.7=1, ~7793=1 HB2 LYS 119 - HD22 ASN 106 lone 4 63 - 6 - 7787/3.5=2, 7794/1.7=1 HG3 PRO 68 - HD22 ASN 106 lone 4 95 - 4 - 7794/1.7=1 HB2 ARG 92 - HD22 ASN 106 lone 3 85 - 4 - HG3 GLU 73 - HD22 ASN 106 lone 2 90 - 3 - HG2 GLU 73 - HD22 ASN 106 lone 2 89 - 3 - HB3 LYS 31 - HD22 ASN 106 lone 2 63 - 4 - HG LEU 55 - HD22 ASN 106 lone 2 65 - 3 - HG3 ARG 53 - HD22 ASN 106 lone 2 63 - 3 - 7790/3.5=2 HG LEU 41 - HD22 ASN 106 lone 1 76 - 2 - HB VAL 50 - HD22 ASN 106 lone 1 63 - 2 - Peak 7799 from nnoeabs.peaks (1.77, 6.94, 113.69 ppm; 4.13 A): 2 out of 15 assignments used, quality = 0.96: HD3 LYS 109 + HD22 ASN 106 OK 81 99 - 82 - 7834=17, 1.8/7834=15...(14) HD2 LYS 109 + HD22 ASN 106 OK 80 98 - 82 - 7834=17, 1.8/7834=15...(14) HB3 LYS 46 - HD22 ASN 106 poor 9 83 - 10 - 3.5/7800=2, 6856/1.7=2...(4) HB2 LEU 45 - HD22 ASN 106 lone 6 87 - 7 - 2884/1.7=1 HB2 PRO 37 - HD22 ASN 106 lone 4 92 - 5 - 2.3/7797=1 HB2 LEU 117 - HD22 ASN 106 lone 4 100 - 4 - HG LEU 117 - HD22 ASN 106 lone 4 98 - 4 - HB2 LYS 32 - HD22 ASN 106 lone 3 92 - 4 - HG3 PRO 30 - HD22 ASN 106 lone 3 99 - 3 - HG2 GLN 42 - HD22 ASN 106 lone 3 96 - 3 - HB2 GLU 75 - HD22 ASN 106 lone 2 100 - 2 - HG3 ARG 71 - HD22 ASN 106 lone 2 92 - 2 - HB3 GLU 56 - HD22 ASN 106 lone 2 81 - 2 - HB VAL 66 - HD22 ASN 106 lone 1 73 - 1 - HG2 ARG 71 - HD22 ASN 106 lone 1 63 - 1 - Peak 7800 from nnoeabs.peaks (1.55, 6.94, 113.69 ppm; 4.74 A): 5 out of 5 assignments used, quality = 0.94: HG3 LYS 109 + HD22 ASN 106 OK 88 100 - 88 - 7833=24, 2.9/7798=20...(12) HB3 LYS 65 + HD22 ASN 106 OK 17 100 - 17 - 7796/1.7=4, 7789/3.5=4...(5) HB2 LYS 65 + HD22 ASN 106 OK 17 100 - 17 - 7796/1.7=4, 7789/3.5=4...(5) HD3 LYS 46 + HD22 ASN 106 OK 13 83 - 16 - 7789/3.5=3, 7796/1.7=3...(6) HG12 ILE 124 + HD22 ASN 106 OK 12 100 - 11 - 7796/1.7=3, 7789/3.5=2, ~5362=1 Peak 7801 from nnoeabs.peaks (3.03, 6.94, 113.69 ppm; 4.42 A): 2 out of 5 assignments used, quality = 0.95: HE3 LYS 109 + HD22 ASN 106 OK 79 100 - 79 - 7802/1.7=18, 3.5/7800=16...(11) HE2 LYS 109 + HD22 ASN 106 OK 79 100 - 79 - 7802/1.7=18, 3.5/7800=16...(11) HD2 ARG 85 - HD22 ASN 106 lone 7 98 - 7 - 7802/1.7=2, 4928/7800=1 HB2 TYR 102 - HD22 ASN 106 lone 6 93 - 6 - 7802/1.7=1, 4929/7800=1 HB3 TYR 102 - HD22 ASN 106 lone 3 60 - 5 - Peak 7802 from nnoeabs.peaks (3.02, 7.81, 113.69 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.95: HE3 LYS 109 + HD21 ASN 106 OK 79 100 - 79 - 8591=19, 7801/1.7=18...(11) HE2 LYS 109 + HD21 ASN 106 OK 79 100 - 79 - 8591=19, 7801/1.7=18...(11) HD2 ARG 85 - HD21 ASN 106 lone 7 97 - 7 - 7801/1.7=2, 4908/7794=1 HB2 TYR 102 - HD21 ASN 106 lone 5 90 - 6 - 7801/1.7=1 HB3 TYR 102 - HD21 ASN 106 lone 3 65 - 5 - Peak 7809 from nnoeabs.peaks (4.38, 8.95, 121.79 ppm; 4.82 A): 2 out of 7 assignments used, quality = 0.49: HA GLN 105 + H PHE 107 OK 41 100 - 41 - 3.6/1509=33, 7805/4.5=6 HA CYS 76 + H PHE 107 OK 13 65 - 20 - 3.0/1311=3, 3981/4.0=3...(9) HA THR 121 - H PHE 107 poor 9 65 - 13 - ~6196=4, ~8093=4...(4) HB THR 116 - H PHE 107 lone 9 95 - 9 - ~8605=2, 4.2/531=2, 524/4.6=2 HA LEU 93 - H PHE 107 lone 6 100 - 6 - 524/4.6=2, ~6194=1 HA MET 11 - H PHE 107 lone 5 87 - 6 - 524/4.6=2, 7805/4.5=2 HA SER 35 - H PHE 107 lone 2 99 - 2 - Peak 7830 from nnoeabs.peaks (4.66, 8.84, 116.35 ppm; 4.15 A): 0 out of 2 assignments used, low quality = 0.39: HA ASN 106 - H ASN 108 OK 39 95 - 42 - 3.6/537=24, 3.0/1319=12...(5) HA LEU 59 - H ASN 108 lone 2 97 - 2 - Peak 7831 from nnoeabs.peaks (1.50, 7.65, 113.15 ppm; 5.68 A): 2 out of 10 assignments used, quality = 0.60: HG2 ARG 85 + HD21 ASN 108 OK 40 99 - 41 - 7832/1.7=19, ~7503=13...(5) HG2 LYS 109 + HD21 ASN 108 OK 33 73 - 45 - 7832/1.7=13, ~7843=10...(8) HG3 ARG 92 - HD21 ASN 108 lone 8 100 - 8 - 7832/1.7=3, ~7832=2 HG2 ARG 92 - HD21 ASN 108 lone 8 99 - 8 - 7832/1.7=3, ~7832=2 HB3 LEU 58 - HD21 ASN 108 lone 5 89 - 6 - 7832/1.7=2, ~7790=1 HD3 LYS 46 - HD21 ASN 108 lone 4 73 - 5 - 7832/1.7=1, 7792/3.5=1 HG LEU 93 - HD21 ASN 108 lone 4 96 - 4 - 7832/1.7=2 HB2 LEU 24 - HD21 ASN 108 lone 4 100 - 4 - 7832/1.7=2 HB3 LEU 114 - HD21 ASN 108 lone 3 100 - 3 - 7832/1.7=1 HG LEU 91 - HD21 ASN 108 lone 3 92 - 3 - 7832/1.7=1 Peak 7832 from nnoeabs.peaks (1.50, 6.97, 113.15 ppm; 4.98 A): 2 out of 10 assignments used, quality = 0.70: HG2 ARG 85 + HD22 ASN 108 OK 53 99 - 54 - 7498=16, 3.0/7503=14...(8) HG2 LYS 109 + HD22 ASN 108 OK 36 73 - 49 - 7831/1.7=9, 4.7/549=9...(13) HG3 ARG 92 - HD22 ASN 108 lone 8 100 - 8 - 7831/1.7=2, ~7831=2 HG2 ARG 92 - HD22 ASN 108 lone 8 99 - 8 - 7831/1.7=2, ~7831=2 HB3 LEU 58 - HD22 ASN 108 lone 5 89 - 6 - 7831/1.7=1 HB2 LEU 24 - HD22 ASN 108 lone 4 100 - 4 - 7831/1.7=1 HG LEU 93 - HD22 ASN 108 lone 4 96 - 4 - 7831/1.7=1 HB3 LEU 114 - HD22 ASN 108 lone 4 100 - 4 - HG LEU 91 - HD22 ASN 108 lone 4 92 - 4 - HD3 LYS 46 - HD22 ASN 108 lone 3 73 - 5 - 7831/1.7=1 Peak 7838 from nnoeabs.peaks (2.90, 7.48, 119.90 ppm; 4.19 A): 4 out of 7 assignments used, quality = 0.85: HB2 ASN 106 + H LYS 109 OK 69 100 - 70 - 7808=24, 1.8/547=15...(10) HB2 ASP 100 + H LYS 109 OK 24 97 - 25 - 6743/8451=6, 4.3/549=5...(8) HB3 PHE 96 + H LYS 109 OK 21 68 - 32 - 7840/4.0=8, 7640/8451=7...(7) HB2 PHE 40 + H LYS 109 OK 16 98 - 16 - 6743/8451=4, 3.0/6018=3...(6) HE2 LYS 32 - H LYS 109 lone 8 87 - 9 - 7839/4.0=2, 7840/4.0=2 HE3 LYS 32 - H LYS 109 lone 8 85 - 9 - 7840/4.0=2, 7839/4.0=2 HB3 ASN 12 - H LYS 109 lone 6 83 - 7 - 7870/8451=2, 3.5/549=2 Peak 7850 from nnoeabs.peaks (7.21, 6.79, 121.06 ppm; 4.59 A): 5 out of 6 assignments used, quality = 0.93: QD PHE 107 + H VAL 110 OK 61 87 - 70 - 4812/4.0=28, 4811/4.0=18...(10) QD TYR 102 + H VAL 110 OK 42 89 - 48 - 4608/3.6=7, 2.5/1333=7...(12) QD TYR 67 + H VAL 110 OK 40 99 - 41 - 3708=9, 7858/4.0=6...(9) H LYS 65 + H VAL 110 OK 31 99 - 32 - 4.0/555=4, 4.0/555=4...(11) QE PHE 40 + H VAL 110 OK 19 93 - 21 - ~7851=4, 7858/4.0=3...(6) HE ARG 81 - H VAL 110 poor 10 73 - 14 - 7861/4.0=2, 6.3/1746=2...(5) Peak 7884 from nnoeabs.peaks (1.22, 6.79, 121.06 ppm; 4.44 A): 3 out of 6 assignments used, quality = 0.68: HB3 LEU 111 + H VAL 110 OK 57 99 - 57 - 3.8/1513=18, 4.6/1754=12...(11) QG2 VAL 18 + H VAL 110 OK 18 92 - 19 - 1340/4.7=3, 4.3/1747=3...(5) HG LEU 77 + H VAL 110 OK 11 95 - 12 - 1340/4.7=3, ~7349=2 HB3 LEU 24 - H VAL 110 lone 10 100 - 9 - 1340/4.7=2, 3.1/6477=1 HG13 ILE 124 - H VAL 110 lone 8 85 - 10 - 1.8/555=3, 4.0/1744=1 HG2 LYS 32 - H VAL 110 lone 5 100 - 5 - 1340/4.7=1 Peak 7917 from nnoeabs.peaks (0.93, 8.03, 112.26 ppm; 4.77 A): 3 out of 12 assignments used, quality = 0.97: QG2 VAL 115 + H SER 112 OK 87 99 - 88 - ~6227=20, 7919/3.0=16...(19) HB2 GLN 42 + H SER 112 OK 51 92 - 55 - 2827=9, 3.0/2851=7...(16) QD1 LEU 41 + H SER 112 OK 49 100 - 49 - 2.1/5565=8, 5566=8...(12) QD1 LEU 55 - H SER 112 OK 30 100 - 30 - 7919/3.0=5, 4.0/1755=3...(12) QG2 ILE 22 - H SER 112 OK 29 99 - 29 - 3.0/570=7, 7914/4.6=4...(9) QD2 LEU 27 - H SER 112 OK 23 98 - 24 - 2299/4.6=3, 3.1/567=2...(5) QD1 LEU 27 - H SER 112 OK 23 99 - 23 - 3.1/567=2, 7914/4.6=2...(6) QD1 ILE 63 - H SER 112 OK 22 98 - 22 - 3536/4.9=4, 4.2/1756=3...(7) QD1 LEU 117 - H SER 112 OK 14 76 - 19 - 4.6/592=5, 7914/4.6=2...(5) QG2 VAL 49 - H SER 112 poor 10 96 - 10 - 7919/3.0=1 QG2 ILE 124 - H SER 112 poor 9 68 - 13 - 8115/4.6=3, 3.2/1756=2...(4) QD1 LEU 126 - H SER 112 lone 3 73 - 5 - Peak 7925 from nnoeabs.peaks (8.36, 8.03, 112.26 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.88: H VAL 115 + H SER 112 OK 80 100 - 80 - 6226/3.0=25, 6224/3.6=19...(13) H ILE 80 + H SER 112 OK 42 98 - 43 - 6226/3.0=12, 6224/3.6=9...(13) H SER 74 - H SER 112 poor 9 85 - 10 - 1762/4.6=2, 6224/3.6=2 Peak 7926 from nnoeabs.peaks (7.27, 7.58, 117.75 ppm; 4.25 A): 3 out of 14 assignments used, quality = 0.54: QD PHE 96 + H SER 113 OK 33 100 - 33 - 4708/4.0=14, 7927/4.0=12...(7) HE ARG 57 + H SER 113 OK 18 99 - 18 - 2.9/3339=3, 2.9/3331=3...(8) QE PHE 96 + H SER 113 OK 17 68 - 26 - 7927/4.0=10, 7928/4.0=9...(4) HD1 TRP 20 - H CYS 76 poor 9 81 - 11 - 3.9/2033=2, 3.9/2043=2...(4) QD PHE 96 - H CYS 76 lone 9 92 - 10 - 4819/4.0=2, 4708/5052=1 HE ARG 57 - H CYS 76 lone 7 88 - 8 - 2.9/1137=2, 4.9/360=1, ~3981=1 HD1 TRP 20 - H SER 113 lone 6 93 - 7 - 5.6/836=1, 3.9/2033=1 H VAL 26 - H SER 113 lone 5 78 - 6 - 7927/4.0=1, 7928/4.0=1 QE PHE 96 - H CYS 76 lone 4 57 - 7 - H VAL 26 - H CYS 76 lone 3 66 - 5 - 3.6/1646=1 HE ARG 71 - H SER 113 lone 3 89 - 3 - HE ARG 71 - H CYS 76 lone 2 76 - 2 - HZ PHE 40 - H CYS 76 lone 2 66 - 2 - HZ PHE 40 - H SER 113 lone 2 78 - 2 - Peak 7929 from nnoeabs.peaks (1.98, 7.58, 117.75 ppm; 4.75 A): 9 out of 28 assignments used, quality = 0.91: HG LEU 114 + H SER 113 OK 51 100 - 51 - 2.1/7957=13, 5.2/576=11...(11) HB ILE 124 + H SER 113 OK 37 100 - 38 - 7935/4.0=6, 7940/3.0=6...(12) HG LEU 114 + H CYS 76 OK 24 91 - 26 - 2.1/7957=6, 5.2/576=4...(7) HB2 LEU 41 + H SER 113 OK 19 100 - 19 - 5562/4.6=5, 1356/4.6=2...(6) HB3 PRO 68 + H SER 113 OK 16 100 - 16 - 1356/4.6=3, 7935/4.0=2...(4) HG2 PRO 68 + H SER 113 OK 16 100 - 16 - 1356/4.6=3, 7935/4.0=2...(5) HB2 LEU 55 + H SER 113 OK 15 76 - 20 - 3.0/6077=3, 4.0/1632=2...(8) HB2 LYS 46 + H SER 113 OK 12 83 - 15 - 1356/4.6=2, 8272/3.6=1 HB2 LEU 41 + H CYS 76 OK 11 90 - 12 - 4.2/1649=2 HB3 GLN 103 - H SER 113 lone 10 100 - 10 - 1356/4.6=2, 7935/4.0=1...(4) HG LEU 45 - H SER 113 lone 9 99 - 9 - 6841/7865=1, 6841/5609=1 HG2 PRO 68 - H CYS 76 lone 9 91 - 10 - 2.3/7322=1 HG2 PRO 60 - H SER 113 lone 8 92 - 9 - HB3 PRO 68 - H CYS 76 lone 8 90 - 9 - 1.8/7322=1 HB2 ARG 71 - H CYS 76 lone 7 91 - 8 - 5702/4.6=3, 4.3/356=2 HG LEU 45 - H CYS 76 lone 7 90 - 8 - 2901/4.3=2, 2900/4.3=1 HB ILE 124 - H CYS 76 lone 7 90 - 7 - 3.0/7323=1 HB2 GLU 94 - H SER 113 lone 6 83 - 8 - 1356/4.6=1 HB3 GLU 94 - H SER 113 lone 6 73 - 9 - 8537/4.6=2, 7939/4.0=1 HB2 MET 11 - H SER 113 lone 6 99 - 6 - HB2 MET 11 - H CYS 76 lone 5 88 - 6 - 1845/2.9=1 HB2 ARG 71 - H SER 113 lone 5 100 - 5 - HB2 LYS 46 - H CYS 76 lone 5 71 - 7 - HG2 PRO 60 - H CYS 76 lone 5 80 - 6 - 2.3/360=1 HB3 GLN 103 - H CYS 76 lone 4 90 - 4 - HB2 LEU 55 - H CYS 76 lone 4 64 - 6 - HB2 GLU 94 - H CYS 76 lone 3 71 - 4 - HB3 GLU 94 - H CYS 76 lone 2 62 - 4 - Peak 7930 from nnoeabs.peaks (0.83, 7.58, 117.75 ppm; 4.90 A): 4 out of 16 assignments used, quality = 0.93: QG1 VAL 115 + H SER 113 OK 71 100 - 71 - 7979=16, 7970/3.6=12...(15) QD2 LEU 114 + H SER 113 OK 51 85 - 60 - 4.4/576=14, 7957=13...(12) QD1 LEU 93 + H SER 113 OK 36 100 - 36 - 8525/3.0=11, 8528/4.6=6...(7) HB2 ASN 118 + H SER 113 OK 29 97 - 30 - 5912=6, 4.0/1521=4...(10) HG13 ILE 22 - H SER 113 OK 24 100 - 24 - 7932/4.0=3, ~6437=3...(8) QD2 LEU 91 - H SER 113 OK 22 89 - 25 - 5792/4.6=5, 7937/4.0=3...(6) QD2 LEU 55 - H SER 113 OK 22 92 - 24 - 3255/3.6=3, 4.0/6077=3...(9) QD2 LEU 114 - H CYS 76 OK 22 73 - 30 - 7957=6, 4.4/576=5...(8) QG1 VAL 115 - H CYS 76 OK 19 91 - 21 - 4.0/1769=5, 7979=3...(5) QD1 LEU 59 - H SER 113 OK 12 98 - 12 - 7932/4.0=2, 7937/4.0=1 QD1 LEU 93 - H CYS 76 lone 9 91 - 9 - QD2 LEU 55 - H CYS 76 lone 6 80 - 7 - QD2 LEU 91 - H CYS 76 lone 5 76 - 6 - HG13 ILE 22 - H CYS 76 lone 4 90 - 4 - QD1 LEU 59 - H CYS 76 lone 4 88 - 4 - HB2 ASN 118 - H CYS 76 lone 4 85 - 4 - Peak 7961 from nnoeabs.peaks (3.86, 8.37, 121.97 ppm; 4.82 A): 7 out of 12 assignments used, quality = 0.83: HA GLU 15 + H VAL 115 OK 29 97 - 30 - 5959/4.6=6, 3.0/1361=5...(6) HA THR 116 + H VAL 115 OK 27 57 - 46 - 3.0/587=22, 3.6/1779=16...(4) HA LYS 119 + H VAL 115 OK 25 65 - 38 - ~6248=7, 3.0/1769=7...(9) HA THR 19 + H VAL 115 OK 22 89 - 25 - 3.0/1518=5, 7969/4.0=4...(6) HB3 ASN 79 + H VAL 115 OK 22 73 - 30 - 3.9/1482=7, 5738=6...(9) HA LEU 77 + H VAL 115 OK 21 78 - 26 - 6107=8, 3.6/1659=7...(6) HB2 SER 13 + H VAL 115 OK 10 97 - 11 - 6288/4.0=3, 7971/4.0=2 HB2 SER 35 - H VAL 115 lone 5 100 - 5 - HA THR 33 - H VAL 115 lone 5 100 - 5 - HB THR 33 - H VAL 115 lone 4 100 - 4 - HA3 GLY 104 - H VAL 115 lone 3 100 - 3 - HA ARG 53 - H VAL 115 lone 2 63 - 3 - Peak 7962 from nnoeabs.peaks (1.33, 8.37, 121.97 ppm; 5.08 A): 5 out of 9 assignments used, quality = 0.95: QG2 THR 17 + H VAL 115 OK 52 100 - 52 - 8460/3.0=11, 7977/4.0=10...(13) HG2 LYS 46 + H VAL 115 OK 50 100 - 50 - 7943/4.6=7, 7942/4.6=6...(17) HG3 LYS 46 + H VAL 115 OK 50 100 - 50 - 7943/4.6=7, 7942/4.6=6...(17) QB ALA 43 + H VAL 115 OK 37 100 - 37 - 7977/4.0=5, 6809/3.0=4...(14) HG3 LYS 119 + H VAL 115 OK 30 95 - 32 - 7964/4.0=7, 7977/4.0=5...(9) HB3 LEU 59 - H VAL 115 OK 22 95 - 23 - 3.7/1772=6, 7943/4.6=3...(9) HB3 LEU 84 - H VAL 115 OK 14 76 - 19 - 7942/4.6=4, 7943/4.6=4...(6) QG2 THR 23 - H VAL 115 lone 7 90 - 8 - 7964/4.0=1, 7977/4.0=1 HG CYS 87 - H VAL 115 lone 6 83 - 7 - 7964/4.0=1, 7559/4.6=1 Peak 8001 from nnoeabs.peaks (0.82, 8.66, 122.46 ppm; 3.73 A): 5 out of 10 assignments used, quality = 0.95: QD1 LEU 93 + H LEU 117 OK 58 99 - 58 - 7607/3.0=14, 8377/4.3=12...(17) QG1 VAL 115 + H LEU 117 OK 49 99 - 49 - 4.3/592=12, 4.0/1779=8...(13) QD2 LEU 91 + H LEU 117 OK 47 99 - 48 - 7590=8, 8368/4.3=6...(16) QD1 LEU 59 + H LEU 117 OK 39 85 - 47 - 3417=7, 2.1/3410=6...(16) HB2 ASN 118 + H LEU 117 OK 35 100 - 35 - 5178/4.7=10, 4.6/1789=6...(10) QD2 LEU 114 - H LEU 117 OK 24 60 - 40 - 4.0/6236=11, 7955=7...(12) QD1 LEU 111 - H LEU 117 OK 20 68 - 29 - 2.1/8002=4, 2.1/8002=4...(12) QD2 LEU 55 - H LEU 117 OK 19 71 - 27 - 4.0/6999=4, 2.1/8499=4...(9) HG13 ILE 22 - H LEU 117 OK 18 92 - 20 - 7988/4.3=2, 7985/4.2=2...(7) QD1 ILE 22 - H LEU 117 OK 14 78 - 17 - 6371/3.6=2, 7985/4.2=2...(5) Peak 8002 from nnoeabs.peaks (0.75, 8.66, 122.46 ppm; 4.53 A): 4 out of 8 assignments used, quality = 0.94: QD2 LEU 93 + H LEU 117 OK 63 99 - 63 - ~7607=12, 7989/4.3=11...(19) QD1 LEU 91 + H LEU 117 OK 50 100 - 50 - 2.1/7590=12, 8004/3.0=7...(14) HG LEU 111 + H LEU 117 OK 48 100 - 48 - 7613=6, 8004/3.0=6...(18) QD2 LEU 111 + H LEU 117 OK 41 90 - 45 - 8004/3.0=5, 7613=5...(17) QD1 LEU 114 - H LEU 117 OK 33 71 - 46 - 4.0/6236=16, 2.1/7955=15...(10) QD1 LEU 84 - H LEU 117 OK 26 100 - 26 - 7489/3.0=5, 7989/4.3=4...(8) QG2 VAL 66 - H LEU 117 OK 15 73 - 21 - 7192/4.6=3, 8509/4.0=3...(8) QG2 ILE 63 - H LEU 117 OK 12 96 - 12 - 8004/3.0=1, 7989/4.3=1 Peak 8017 from nnoeabs.peaks (6.81, 7.74, 118.75 ppm; 4.50 A): 3 out of 3 assignments used, quality = 0.74: HH2 TRP 20 + H ASN 118 OK 63 87 - 72 - 8018/3.0=22, ~8019=21...(12) H VAL 110 + H ASN 118 OK 21 78 - 27 - 8018/3.0=8, 7995/4.2=5...(4) QE TYR 67 + H ASN 118 OK 12 76 - 16 - 7995/4.2=4, 7994/4.2=4 Peak 8020 from nnoeabs.peaks (7.31, 6.12, 108.19 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.88: HZ2 TRP 20 + HD22 ASN 118 OK 69 83 - 84 - 2.8/8140=31, 8019/4.4=28...(7) HD1 TRP 20 + HD22 ASN 118 OK 61 71 - 86 - 2.6/8140=32, 4635=31...(6) HZ PHE 40 - HD22 ASN 118 lone 3 89 - 3 - 2042/8025=1 Peak 8025 from nnoeabs.peaks (3.22, 6.12, 108.19 ppm; 5.04 A): 1 out of 5 assignments used, quality = 0.51: HB3 TRP 20 + HD22 ASN 118 OK 51 99 - 51 - 3.9/4635=32, 5.3/8140=21 HA GLN 42 - HD22 ASN 118 lone 3 100 - 3 - 2051/4635=2 HD2 ARG 71 - HD22 ASN 118 lone 2 100 - 2 - 2051/4635=1 HB3 PHE 83 - HD22 ASN 118 lone 2 99 - 2 - HD2 ARG 81 - HD22 ASN 118 lone 1 90 - 2 - Peak 8026 from nnoeabs.peaks (1.42, 5.53, 108.19 ppm; 5.48 A): 0 out of 13 assignments used, low quality = 0.39: HB2 LEU 51 - HD21 ASN 118 OK 18 100 - 18 - 3.0/708=6, 3075/4.4=6, ~714=5 HB3 LEU 91 - HD21 ASN 118 OK 17 100 - 17 - 4386/5.6=5, 3.1/709=4...(4) HG LEU 24 - HD21 ASN 118 OK 10 68 - 15 - 8201/8386=8, 4627/4634=6 HG LEU 59 - HD21 ASN 118 poor 8 78 - 10 - 2.1/709=3, 8023/4.4=2...(4) HB3 LEU 45 - HD21 ASN 118 lone 4 68 - 5 - 6381/4634=2, 6551/8386=2 QB ALA 122 - HD21 ASN 118 lone 3 97 - 4 - 8023/4.4=1 HB2 LEU 27 - HD21 ASN 118 lone 3 65 - 5 - 8023/4.4=1, 8482/3.5=1 QB ALA 89 - HD21 ASN 118 lone 3 90 - 4 - 5784/5.6=1 HB3 LEU 101 - HD21 ASN 118 lone 3 92 - 3 - QB ALA 98 - HD21 ASN 118 lone 2 100 - 2 - HD2 LYS 65 - HD21 ASN 118 lone 2 85 - 3 - HD3 LYS 65 - HD21 ASN 118 lone 2 85 - 3 - HB3 GLU 75 - HD21 ASN 118 lone 2 68 - 3 - Peak 8027 from nnoeabs.peaks (1.12, 7.60, 118.81 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.94: QG2 VAL 120 + H LYS 119 OK 79 100 - 80 - 8041=23, 3.9/1792=16...(19) QD2 LEU 117 + H LYS 119 OK 47 89 - 53 - 3.8/1788=10, 8022/3.6=8...(13) QG2 THR 62 + H LYS 119 OK 31 98 - 31 - 3.2/1788=5, 8032/4.0=4...(9) QG2 VAL 50 + H LYS 119 OK 19 89 - 21 - 8032/4.0=4, 8022/3.6=3...(7) Peak 8028 from nnoeabs.peaks (1.00, 7.60, 118.81 ppm; 4.71 A): 4 out of 9 assignments used, quality = 0.93: QD1 LEU 58 + H LYS 119 OK 61 100 - 61 - 4.8/263=10, 8021/3.6=9...(18) QD2 LEU 58 + H LYS 119 OK 59 99 - 60 - 4.8/263=10, 2.1/1384=8...(19) QG1 VAL 120 + H LYS 119 OK 45 60 - 76 - 2.1/8041=19, 3.9/1792=19...(20) HB3 LEU 27 + H LYS 119 OK 21 100 - 21 - 8021/3.6=4, ~6272=2...(6) QG1 VAL 18 - H LYS 119 OK 19 89 - 22 - 2.1/606=4, 8021/3.6=3...(8) QD1 LEU 101 - H LYS 119 OK 14 90 - 16 - 7708/7865=1, 3.1/1385=1 HG2 LYS 65 - H LYS 119 lone 3 81 - 4 - HG3 LYS 65 - H LYS 119 lone 3 81 - 4 - QG2 THR 95 - H LYS 119 lone 2 65 - 2 - Peak 8029 from nnoeabs.peaks (0.90, 7.60, 118.81 ppm; 4.37 A): 6 out of 14 assignments used, quality = 0.81: QD1 LEU 117 + H LYS 119 OK 41 97 - 42 - 3.8/1788=11, 2.1/8027=10...(8) QD2 LEU 59 + H LYS 119 OK 32 90 - 35 - 4.6/1789=7, ~6272=5...(10) QG2 VAL 115 + H LYS 119 OK 30 68 - 44 - 2.1/7979=11, 3.2/6248=10...(10) QG2 ILE 22 + H LYS 119 OK 16 68 - 23 - 3.2/605=3, ~5982=2...(11) HG13 ILE 80 + H LYS 119 OK 12 60 - 20 - ~7411=3, 4.0/1791=3...(6) QD1 LEU 126 + H LYS 119 OK 10 97 - 10 - 5410/4.6=2, 4.7/603=1 QD2 LEU 27 - H LYS 119 poor 9 71 - 13 - 3.1/8028=3, 601/4.6=2, ~6272=1 QG1 VAL 49 - H LYS 119 lone 8 90 - 9 - 2.1/7018=1 QD2 LEU 41 - H LYS 119 lone 7 98 - 8 - QD1 LEU 27 - H LYS 119 poor 7 63 - 12 - 3.1/8028=3, 601/4.6=1, ~6272=1 QD1 ILE 124 - H LYS 119 lone 7 97 - 7 - 8106/1792=3, 8121/8069=2 QD2 LEU 126 - H LYS 119 lone 6 68 - 9 - 4.7/603=1, 2.1/3315=1 QG2 VAL 49 - H LYS 119 lone 6 78 - 8 - 601/4.6=1 HB2 GLN 42 - H LYS 119 lone 4 85 - 5 - Peak 8062 from nnoeabs.peaks (0.83, 8.65, 114.21 ppm; 4.65 A): 5 out of 8 assignments used, quality = 0.96: QD1 LEU 93 + H VAL 120 OK 55 100 - 55 - 8378/4.0=17, 8050/4.0=8...(13) QD2 LEU 91 + H VAL 120 OK 50 89 - 57 - 8369/4.0=17, 8370/4.0=14...(13) QG1 VAL 115 + H VAL 120 OK 46 100 - 46 - 7979/4.6=8, 7969/3.6=7...(13) QD1 LEU 59 + H VAL 120 OK 45 98 - 46 - 2.1/3410=7, 3.2/3403=6...(14) HB2 ASN 118 + H VAL 120 OK 43 97 - 45 - 4.6/609=14, 4.0/1794=13...(7) QD2 LEU 55 - H VAL 120 OK 38 92 - 42 - 4.0/6999=7, 2.1/8499=5...(16) QD2 LEU 114 - H VAL 120 OK 29 85 - 34 - 7955=10, 7960/4.0=7...(8) HG13 ILE 22 - H VAL 120 OK 23 100 - 23 - 8030/4.7=3, 8475/3.6=2...(7) Peak 8075 from nnoeabs.peaks (0.92, 7.69, 109.09 ppm; 4.56 A): 7 out of 11 assignments used, quality = 0.91: QD2 LEU 27 + H THR 121 OK 49 100 - 49 - 8084/4.0=10, 3.1/622=7...(13) QD1 LEU 27 + H THR 121 OK 44 100 - 45 - 8084/4.0=10, 3.1/622=7...(12) QD1 LEU 117 + H THR 121 OK 44 93 - 48 - 3.8/1801=13, 2.1/623=11...(10) QD1 LEU 55 + H THR 121 OK 17 96 - 18 - 8499/4.6=3, 4.0/620=3...(5) QG2 VAL 115 + H THR 121 OK 14 100 - 14 - 7980/1792=2, 7974/3.6=2 QG2 ILE 22 + H THR 121 OK 13 100 - 13 - 8084/4.0=2, ~6437=1...(4) QD1 ILE 63 + H THR 121 OK 12 87 - 14 - 7149/3.9=5 QD1 LEU 41 - H THR 121 lone 7 98 - 8 - 8084/4.0=1 QG2 VAL 49 - H THR 121 lone 7 100 - 7 - HB2 GLN 42 - H THR 121 lone 7 99 - 7 - QD1 LEU 126 - H THR 121 lone 5 92 - 5 - Peak 8096 from nnoeabs.peaks (1.02, 7.65, 125.52 ppm; 4.65 A): 5 out of 5 assignments used, quality = 0.94: QG1 VAL 120 + H ALA 122 OK 77 93 - 82 - 3.9/624=33, 3.2/6275=24...(13) HB3 LEU 27 + H ALA 122 OK 40 97 - 41 - 8086/4.2=10, 8078/3.6=8...(9) QD1 LEU 58 + H ALA 122 OK 37 92 - 40 - 8086/4.2=8, 8749/4.4=7...(14) QD2 LEU 58 + H ALA 122 OK 25 76 - 33 - 8082/4.4=6, 8086/4.2=5...(11) QD2 LEU 101 + H ALA 122 OK 12 92 - 13 - 622/4.6=2, 8086/4.2=2...(5) Peak 8097 from nnoeabs.peaks (1.13, 7.65, 125.52 ppm; 4.85 A): 3 out of 5 assignments used, quality = 0.91: QG2 VAL 120 + H ALA 122 OK 85 97 - 87 - 3.9/624=35, 3.2/6275=26...(15) QD2 LEU 117 + H ALA 122 OK 34 100 - 34 - 8087/4.2=9, 623/4.6=7...(10) QG2 VAL 50 + H ALA 122 OK 16 100 - 16 - 6924/4.4=3, 623/4.6=2...(4) QG2 THR 62 - H ALA 122 poor 10 73 - 13 - 8087/4.2=3, 623/4.6=3...(4) HB3 LEU 54 - H ALA 122 lone 4 76 - 5 - Peak 8099 from nnoeabs.peaks (0.92, 8.16, 117.45 ppm; 5.03 A): 0 out of 11 assignments used, low quality = 0.44: QD2 LEU 27 - H ASP 123 OK 26 100 - 27 - 8717/4.0=8, 8716/4.0=7...(7) QD1 LEU 27 - H ASP 123 OK 23 100 - 24 - 8717/4.0=7, 8716/4.0=7...(6) QD1 LEU 55 - H ASP 123 poor 10 95 - 10 - 4.0/1809=2, 8717/4.0=2...(4) QD1 LEU 117 - H ASP 123 poor 9 95 - 10 - 8075/1802=3, 8717/4.0=1...(5) QG2 VAL 115 - H ASP 123 lone 7 100 - 7 - 8716/4.0=1, 8717/4.0=1 QD1 ILE 63 - H ASP 123 lone 7 85 - 8 - 8717/4.0=2, 7149/8042=2 QG2 ILE 22 - H ASP 123 lone 6 100 - 6 - 8717/4.0=1, 8716/4.0=1 QD1 LEU 126 - H ASP 123 lone 6 93 - 7 - 8716/4.0=3, 8717/4.0=2 QD1 LEU 41 - H ASP 123 lone 6 97 - 6 - 8717/4.0=2, 8716/4.0=2 QG2 VAL 49 - H ASP 123 lone 5 100 - 5 - 8717/4.0=1, 8716/4.0=1 HB2 GLN 42 - H ASP 123 lone 5 100 - 5 - 8717/4.0=1, 8716/4.0=1 Peak 8100 from nnoeabs.peaks (1.56, 8.16, 117.45 ppm; 4.83 A): 2 out of 7 assignments used, quality = 0.51: HG12 ILE 124 + H ASP 123 OK 44 99 - 44 - 4.9/633=31, 8105/4.0=8...(4) HG3 LYS 109 + H ASP 123 OK 13 98 - 13 - 8056/8042=4, 7843/4.0=3...(4) HB3 LYS 65 - H ASP 123 poor 10 93 - 11 - 1413/4.6=6, 3.0/629=2 HB2 LYS 65 - H ASP 123 poor 10 93 - 11 - 1413/4.6=6, 3.0/629=2 HG2 ARG 57 - H ASP 123 lone 3 78 - 3 - HG2 ARG 81 - H ASP 123 lone 2 78 - 3 - HG3 ARG 81 - H ASP 123 lone 2 78 - 3 - Peak 8107 from nnoeabs.peaks (1.43, 7.78, 118.86 ppm; 4.02 A): 8 out of 13 assignments used, quality = 0.92: QB ALA 122 + H ILE 124 OK 53 90 - 59 - 3.6/633=33, 4.9/634=20...(7) HB3 LEU 45 + H ILE 124 OK 34 81 - 43 - 3.0/2898=8, 2891=8...(9) HD2 LYS 65 + H ILE 124 OK 28 93 - 30 - 3.8/1413=5, 3.8/1413=5...(9) HD3 LYS 65 + H ILE 124 OK 28 93 - 30 - 3.8/1413=5, 3.8/1413=5...(9) HB3 LEU 101 + H ILE 124 OK 25 97 - 26 - 3.1/7728=7, 3.1/7725=7...(7) HD2 LYS 46 + H ILE 124 OK 18 60 - 31 - 3.0/636=6, 3.5/6855=5...(8) QB ALA 98 + H ILE 124 OK 11 99 - 11 - 2.1/1410=2, 4612/3.0=1 HG LEU 59 + H ILE 124 OK 10 65 - 15 - 2.1/1415=3, 3.0/8108=3...(7) HG LEU 24 - H ILE 124 lone 5 81 - 6 - QB ALA 89 - H ILE 124 lone 5 97 - 5 - HB3 LEU 91 - H ILE 124 lone 4 100 - 4 - HB2 LEU 51 - H ILE 124 lone 4 98 - 4 - HB3 GLU 75 - H ILE 124 lone 2 81 - 3 - Peak 8108 from nnoeabs.peaks (1.36, 7.78, 118.86 ppm; 4.44 A): 5 out of 7 assignments used, quality = 0.77: QG2 THR 121 + H ILE 124 OK 50 96 - 52 - 3.2/8180=19, 8088/4.9=14...(7) HB3 LEU 93 + H ILE 124 OK 19 87 - 22 - 8115/4.0=7, 8120/4.7=5...(4) QB ALA 43 + H ILE 124 OK 19 60 - 31 - 2.1/6035=7, 3.6/1453=6...(6) HB2 LEU 111 + H ILE 124 OK 16 71 - 23 - 8115/4.0=4, 8120/4.7=3...(9) HB3 LEU 59 + H ILE 124 OK 15 89 - 17 - 8114/4.0=3, 3.2/1415=3...(8) HG2 LYS 31 - H ILE 124 lone 5 99 - 5 - HB VAL 110 - H ILE 124 lone 4 60 - 7 - ~7881=1, 8445/7725=1 Peak 8109 from nnoeabs.peaks (3.95, 7.78, 118.86 ppm; 4.51 A): 3 out of 6 assignments used, quality = 0.78: HA2 GLY 125 + H ILE 124 OK 47 100 - 47 - 3.0/637=26, ~5935=12...(6) HA3 GLY 125 + H ILE 124 OK 47 100 - 47 - 3.0/637=26, ~5935=12...(6) HA SER 74 + H ILE 124 OK 20 100 - 20 - 2.9/1527=6, 8510/4.9=4...(6) HA2 GLY 25 - H ILE 124 lone 4 89 - 4 - HA THR 23 - H ILE 124 lone 4 89 - 4 - 6445=1 HA ARG 85 - H ILE 124 lone 4 83 - 4 - 6156/4.7=1 Peak 8110 from nnoeabs.peaks (4.42, 7.78, 118.86 ppm; 4.19 A): 3 out of 4 assignments used, quality = 0.81: HA THR 121 + H ILE 124 OK 68 99 - 69 - 8180=27, 1807/4.6=15...(9) HA LYS 32 + H ILE 124 OK 26 100 - 26 - 8123/4.0=5, 8117/4.9=5...(8) HA SER 113 + H ILE 124 OK 22 81 - 28 - 8180=5, 8126/4.9=5...(10) HA SER 29 - H ILE 124 lone 3 90 - 4 - Peak 8111 from nnoeabs.peaks (4.26, 7.78, 118.86 ppm; 4.33 A): 3 out of 10 assignments used, quality = 0.72: HA ALA 122 + H ILE 124 OK 55 100 - 55 - 3.6/633=37, 8095=13...(5) HA LYS 65 + H ILE 124 OK 24 71 - 33 - 3.0/1413=7, 3.0/1413=7...(13) HA3 GLY 48 + H ILE 124 OK 18 85 - 21 - 3024=5, 1.8/3021=5...(6) HA GLN 103 - H ILE 124 lone 9 98 - 9 - 4.0/636=2, 3.0/1411=1 HB THR 19 - H ILE 124 lone 4 87 - 4 - 2.1/1414=1 HA GLU 94 - H ILE 124 lone 4 100 - 4 - HA LEU 114 - H ILE 124 lone 4 60 - 6 - ~578=1 HA ALA 89 - H ILE 124 lone 3 73 - 5 - HA GLU 64 - H ILE 124 lone 3 99 - 3 - ~293=1 HA LEU 58 - H ILE 124 lone 3 95 - 3 - Peak 8127 from nnoeabs.peaks (4.63, 8.32, 111.80 ppm; 4.69 A): 0 out of 6 assignments used, low quality = 0.31: HA ASP 123 - H GLY 125 OK 31 100 - 31 - 634/4.7=30 HA ASP 123 - H SER 74 lone 5 69 - 7 - 3.6/1527=6 HA ASN 106 - H GLY 125 lone 3 85 - 3 - 634/4.7=1 HA HIS 10 - H GLY 125 lone 2 100 - 2 - HA HIS 10 - H SER 74 lone 1 69 - 1 - HA ASN 106 - H SER 74 lone 1 52 - 1 - Peak 8128 from nnoeabs.peaks (1.99, 7.72, 127.22 ppm; 4.72 A): 4 out of 13 assignments used, quality = 0.57: HB ILE 124 + H LEU 126 OK 33 100 - 33 - 4.5/644=25, 3.2/1425=3...(5) HB2 LEU 55 + H LEU 126 OK 20 93 - 21 - 3.0/8639=4, 3.1/7020=4...(6) HB2 LEU 41 + H LEU 126 OK 12 100 - 12 - 639/4.6=2, 3.1/1425=2...(5) HB3 PRO 68 + H LEU 126 OK 10 100 - 10 - 2.3/1420=1, 7228/4.7=1 HG LEU 114 - H LEU 126 lone 9 99 - 8 - 2.1/1425=2, 4.3/6241=2 HG2 PRO 68 - H LEU 126 lone 7 99 - 7 - 3.8/1420=1 HB3 GLN 103 - H LEU 126 lone 5 100 - 5 - HB2 LYS 46 - H LEU 126 lone 5 97 - 5 - 639/4.6=1 HG LEU 45 - H LEU 126 lone 4 92 - 5 - 639/4.6=2 HG2 PRO 60 - H LEU 126 lone 3 99 - 3 - HB2 MET 11 - H LEU 126 lone 2 100 - 2 - HB2 GLU 94 - H LEU 126 lone 2 97 - 2 - HB2 ARG 71 - H LEU 126 lone 1 95 - 1 - Peak 8131 from nnoeabs.peaks (6.11, 10.21, 131.78 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.83: HD22 ASN 118 + HE1 TRP 20 OK 83 92 - 90 - 1.7/8386=40, 4635/2.6=35...(7) Peak 8139 from nnoeabs.peaks (10.22, 5.53, 108.19 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.85: HE1 TRP 20 + HD21 ASN 118 OK 85 93 - 91 - 8386=45, 2.6/4634=42...(6) Peak 8140 from nnoeabs.peaks (10.19, 6.12, 108.19 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.78: HE1 TRP 20 + HD22 ASN 118 OK 78 85 - 92 - 2.6/4635=43, 8131=38...(7) Peak 8141 from nnoeabs.peaks (9.60, 7.41, 108.67 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.73: H TYR 67 + HD21 ASN 79 OK 73 100 - 73 - 8142/1.7=31, 7206=25...(13) Peak 8142 from nnoeabs.peaks (9.59, 8.11, 108.67 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.83: H TYR 67 + HD22 ASN 79 OK 80 100 - 80 - 8141/1.7=40, 7207=27...(15) H TYR 67 + H GLY 39 OK 17 62 - 27 - 7207=7, 4.5/4816=5...(9) Peak 8143 from nnoeabs.peaks (4.38, 8.11, 108.67 ppm; 4.80 A): 4 out of 14 assignments used, quality = 0.71: HA GLN 105 + HD22 ASN 79 OK 40 100 - 40 - 4762=6, 3.0/4770=5...(16) HA CYS 76 + HD22 ASN 79 OK 39 78 - 49 - 7330/1.7=13, 6100/5.6=10...(14) HA ASP 100 + HD22 ASN 79 OK 12 63 - 19 - ~8145=4, 7689=4...(6) HA CYS 76 + H GLY 39 OK 10 42 - 24 - 5724/4.6=3, 7326/4.4=3...(10) HA GLN 105 - H GLY 39 poor 10 63 - 16 - 4762=2, 3.0/4770=2...(5) HB THR 116 - HD22 ASN 79 lone 9 99 - 9 - 6104/3.5=2, ~8170=1...(4) HA SER 35 - HD22 ASN 79 lone 7 100 - 7 - HA MET 11 - HD22 ASN 79 lone 6 95 - 7 - 6104/3.5=1 HA LEU 93 - HD22 ASN 79 lone 6 100 - 6 - HA LEU 93 - H GLY 39 lone 6 63 - 9 - 5801/4.6=2, ~6728=1 HA SER 35 - H GLY 39 lone 4 63 - 6 - 6657/6621=2 HA ASP 100 - H GLY 39 lone 2 32 - 7 - 7689=3 HB THR 116 - H GLY 39 lone 2 60 - 3 - HA MET 11 - H GLY 39 lone 1 55 - 3 - Peak 8144 from nnoeabs.peaks (8.26, 8.11, 108.67 ppm; 5.15 A): 4 out of 6 assignments used, quality = 0.84: H VAL 49 + HD22 ASN 79 OK 64 99 - 65 - 6910/1.7=30, 3.0/6911=18...(9) H GLU 69 + HD22 ASN 79 OK 43 100 - 43 - 4.8/7275=12, 4.8/7278=10...(10) H GLU 69 + H GLY 39 OK 13 62 - 20 - 4.8/7275=5, 7244/2.9=3...(4) H VAL 49 + H GLY 39 OK 12 61 - 20 - 3.0/6911=6, 4.0/8406=5...(6) H TRP 20 - HD22 ASN 79 lone 6 83 - 7 - 7277/7278=1, 7274/7275=1 H TRP 20 - H GLY 39 lone 2 45 - 4 - Peak 8145 from nnoeabs.peaks (8.24, 7.41, 108.67 ppm; 4.91 A): 3 out of 4 assignments used, quality = 0.76: H VAL 49 + HD21 ASN 79 OK 63 95 - 67 - 6910=32, ~6911=12...(9) H GLU 69 + HD21 ASN 79 OK 22 73 - 29 - 4.8/7276=8, 8144/1.7=8...(8) H ASP 100 + HD21 ASN 79 OK 18 92 - 20 - ~7689=4, 491/3.5=3...(7) H MET 11 - HD21 ASN 79 lone 4 63 - 6 - ~8143=1 Peak 8146 from nnoeabs.peaks (7.21, 8.11, 108.67 ppm; 5.26 A): 8 out of 12 assignments used, quality = 0.94: QD TYR 67 + HD22 ASN 79 OK 74 99 - 74 - 4.5/8142=25, 4816=16...(19) QD TYR 67 + H GLY 39 OK 26 61 - 43 - 4816=9, 6720/3.6=6...(12) QD PHE 107 + H GLY 39 OK 22 48 - 46 - 6720/3.6=15, 6717/4.9=8...(6) QD PHE 107 + HD22 ASN 79 OK 21 87 - 24 - 1099/8142=3, 7378/5.6=2...(8) QD TYR 102 + HD22 ASN 79 OK 20 89 - 23 - 7378/5.6=4, 4739/4.4=4...(6) H LYS 65 + HD22 ASN 79 OK 18 99 - 18 - 7378/5.6=5, 1099/8142=2...(5) H LYS 65 + H GLY 39 OK 12 60 - 20 - 304/4.9=3, 304/4.9=3...(5) QE PHE 40 + HD22 ASN 79 OK 10 93 - 11 - 6.5/158=3, 7378/5.6=3 QE PHE 40 - H GLY 39 poor 9 54 - 17 - 6.5/158=10, 6623/6621=2 QD TYR 102 - H GLY 39 poor 8 50 - 16 - 4737/4.6=4, 4.7/7765=3 HE ARG 81 - H GLY 39 poor 5 39 - 12 - 6720/3.6=4, 6724/4.4=2...(5) HE ARG 81 - HD22 ASN 79 lone 4 73 - 5 - Peak 8200 from nnoeabs.peaks (1.91, 8.09, 119.66 ppm; 4.93 A): 4 out of 17 assignments used, quality = 0.92: HB ILE 22 + H LEU 24 OK 61 100 - 61 - 4.4/79=22, 3.9/1573=17...(11) HB2 LEU 21 + H LEU 24 OK 55 87 - 63 - 3.0/1574=28, 4.6/1573=15...(11) HB2 LEU 84 + H LEU 24 OK 37 100 - 37 - 4.3/79=11, 5764/4.6=7...(6) HG LEU 58 + H LEU 24 OK 29 73 - 39 - 8507/4.8=18, 8506/4.8=7...(8) HG LEU 84 - H LEU 24 OK 19 83 - 23 - 5766/4.6=7, 3.0/82=5...(6) HB3 LYS 31 - H LEU 24 OK 16 76 - 21 - 2416/3.0=3, 3.0/860=3...(8) HB ILE 80 - H LEU 24 OK 13 93 - 14 - 3.9/1666=3, 8204/4.8=1...(4) HB2 LYS 119 - H LEU 24 OK 11 76 - 15 - 2.9/82=3, 2.9/863=2...(5) HB3 GLU 73 - H LEU 24 OK 11 100 - 11 - 8208/4.8=1, 8204/4.8=1...(4) HB2 ARG 81 - H LEU 24 lone 9 100 - 9 - 6457/3.6=1, 74/4.6=1 HB VAL 50 - H LEU 24 poor 9 76 - 12 - 3.0/1574=7, 3053/1574=2 HB2 GLU 28 - H LEU 24 lone 9 100 - 9 - 74/4.6=2, 6564/6428=1 HG LEU 55 - H LEU 24 lone 6 73 - 8 - 6457/3.6=1, 74/4.6=1 HB3 MET 11 - H LEU 24 lone 5 99 - 5 - HB2 LYS 109 - H LEU 24 lone 4 60 - 6 - HB3 GLU 64 - H LEU 24 lone 3 65 - 4 - HB2 GLU 64 - H LEU 24 lone 2 60 - 4 - Peak 8278 from nnoeabs.peaks (8.39, 7.77, 103.67 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.65: H ILE 80 + H GLY 48 OK 51 87 - 59 - 6895/3.0=17, ~8423=12...(8) H LEU 51 + H GLY 48 OK 22 57 - 38 - 6895/3.0=11, 1612/4.6=9...(7) H THR 95 + H GLY 48 OK 10 99 - 10 - 6895/3.0=5 H VAL 115 - H GLY 48 poor 8 73 - 12 - 4097/6878=2, ~8423=2...(5) Peak 8336 from nnoeabs.peaks (9.11, 7.40, 122.83 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.70: H ARG 71 + H GLU 75 OK 70 97 - 71 - 8334/4.0=27, 8335/4.0=26...(11) Peak 8384 from nnoeabs.peaks (3.00, 9.21, 119.92 ppm; 4.27 A): 3 out of 7 assignments used, quality = 0.66: HE2 LYS 109 + H ASP 97 OK 34 71 - 48 - 1.8/8592=11, 3.0/7836=9...(10) HE3 LYS 109 + H ASP 97 OK 34 71 - 48 - 1.8/8592=11, 3.0/7836=9...(10) HA VAL 110 + H ASP 97 OK 21 87 - 24 - 4818/4.4=12, 7883/4.3=10 HB3 TYR 102 - H ASP 97 lone 6 100 - 6 - 4818/4.4=3 HB2 ASN 12 - H ASP 97 lone 2 89 - 3 - 8383/4.4=1 HE2 LYS 31 - H ASP 97 lone 1 57 - 1 - HE3 LYS 31 - H ASP 97 lone 1 57 - 1 - Peak 8385 from nnoeabs.peaks (3.90, 8.49, 110.01 ppm; 4.82 A): 2 out of 13 assignments used, quality = 1.00: * HA3 GLY 2 + H GLY 2 OK 100 100 - 100 - 3.0=100 HA2 GLY 2 + H GLY 2 OK 100 100 - 100 - 3.0=100 HA ILE 34 - H GLY 2 lone 8 100 - 8 - 4.1/6628=2, 3.2/6620=2...(4) HD2 PRO 68 - H GLY 2 lone 5 98 - 5 - HD3 PRO 68 - H GLY 2 lone 5 97 - 5 - HA ARG 53 - H GLY 2 lone 3 90 - 3 - HB THR 95 - H GLY 2 lone 2 93 - 2 - HA ARG 85 - H GLY 2 lone 2 63 - 4 - HB3 ASN 79 - H GLY 2 lone 2 83 - 2 - HB THR 62 - H GLY 2 lone 2 97 - 2 - HA ALA 43 - H GLY 2 lone 1 89 - 2 - HB2 SER 112 - H GLY 2 lone 1 97 - 1 - HB3 SER 112 - H GLY 2 lone 1 95 - 1 - Peak 8386 from nnoeabs.peaks (5.54, 10.21, 131.78 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.85: HD21 ASN 118 + HE1 TRP 20 OK 85 94 - 90 - 8139=43, 1.7/8131=42...(6) Peak 8387 from nnoeabs.peaks (4.60, 10.21, 131.78 ppm; 5.27 A): 4 out of 5 assignments used, quality = 0.92: HA TRP 20 + HE1 TRP 20 OK 81 99 - 82 - 6.4=57, 2022/2.6=37...(4) HA LEU 45 + HE1 TRP 20 OK 43 98 - 44 - 4532/2.6=11, 2039/5.3=6...(13) HA GLU 69 + HE1 TRP 20 OK 18 73 - 25 - 4532/2.6=6, 2029/5.3=5...(5) HA ASP 47 + HE1 TRP 20 OK 12 76 - 16 - 3.0/8388=4, 4532/2.6=3...(6) HA HIS 10 - HE1 TRP 20 lone 1 65 - 1 - Peak 8388 from nnoeabs.peaks (3.55, 10.21, 131.78 ppm; 5.33 A): 4 out of 4 assignments used, quality = 0.89: HA ASN 118 + HE1 TRP 20 OK 82 100 - 82 - 8019/2.8=47, 4.4/8131=29...(7) HA LEU 51 + HE1 TRP 20 OK 23 98 - 24 - 6393/2.8=9, 4657/5.0=6...(7) HB2 ASP 47 + HE1 TRP 20 OK 15 97 - 15 - 6393/2.8=3, 3.0/8387=3...(7) HD2 PRO 60 + HE1 TRP 20 OK 11 100 - 11 - 6393/2.8=4, 4657/5.0=2...(4) Peak 8389 from nnoeabs.peaks (2.20, 8.94, 121.12 ppm; 4.99 A): 4 out of 9 assignments used, quality = 0.94: HB VAL 26 + H LEU 54 OK 84 97 - 86 - 2.1/8231=30, 2.1/8236=27...(19) HB3 PRO 37 + H LEU 54 OK 32 97 - 32 - 8422=6, 8432/4.4=5...(11) HG2 PRO 37 + H LEU 54 OK 29 100 - 29 - 8432/4.4=6, 2.3/8422=5...(10) HB2 GLU 73 + H LEU 54 OK 24 92 - 26 - 3.0/1018=5, 3913/3.0=4...(11) HB VAL 49 - H LEU 54 OK 23 87 - 27 - 8432/4.4=6, 8422=5...(9) HB3 LEU 117 - H LEU 54 OK 16 63 - 26 - 3.1/1020=8, ~3180=5...(6) HB2 PRO 68 - H LEU 54 lone 5 60 - 9 - 8750/3.6=1, 7227/4.8=1...(4) HG2 GLU 28 - H LEU 54 lone 2 71 - 2 - HG3 GLU 28 - H LEU 54 lone 1 65 - 2 - Peak 8415 from nnoeabs.peaks (1.81, 9.10, 121.85 ppm; 4.12 A): 5 out of 14 assignments used, quality = 0.83: HG2 GLU 75 + H ARG 71 OK 58 100 - 58 - 3.0/8335=24, 3.0/8334=23...(7) HB2 PRO 60 + H ARG 71 OK 39 99 - 40 - 2.3/331=7, 3452/3.5=5...(13) HG3 ARG 53 + H ARG 71 OK 15 89 - 17 - ~3845=2, 3.0/331=2...(9) HB3 GLU 56 + H ARG 71 OK 12 87 - 14 - 1.8/331=3, 3277/3.9=3...(4) HB3 GLN 105 + H ARG 71 OK 10 99 - 10 - 4.5/334=4, 1.8/329=2, 4784/4.6=1 HB2 PRO 37 - H ARG 71 poor 10 73 - 13 - 2.3/331=3, 1.8/328=1...(5) HB3 ARG 57 - H ARG 71 lone 7 100 - 7 - 3964/8334=1, 3958/8335=1 HB2 GLU 69 - H ARG 71 lone 6 76 - 7 - 3770/3.9=3, 3.0/329=2 HB2 LYS 32 - H ARG 71 lone 5 73 - 7 - 4.0/1474=3 HG13 ILE 63 - H ARG 71 lone 4 97 - 4 - HG LEU 41 - H ARG 71 lone 3 78 - 4 - HG2 GLU 73 - H ARG 71 lone 3 63 - 4 - 1132/8336=1 HG3 GLU 73 - H ARG 71 lone 2 60 - 4 - 1132/8336=1 HB3 ARG 92 - H ARG 71 lone 2 100 - 2 - Peak 8440 from nnoeabs.peaks (1.28, 8.65, 114.21 ppm; 4.43 A): 5 out of 6 assignments used, quality = 0.94: QG2 THR 116 + H VAL 120 OK 79 98 - 80 - 7986/4.0=21, 7987/4.0=20...(16) QG2 ILE 80 + H VAL 120 OK 40 97 - 41 - 8048/4.0=8, 8054/4.0=7...(10) QD1 ILE 80 + H VAL 120 OK 38 97 - 39 - 8048/4.0=8, 8054/4.0=7...(9) QG2 THR 19 + H VAL 120 OK 13 81 - 16 - 3.2/610=3, 8457/4.7=3...(6) HG3 LYS 32 + H VAL 120 OK 10 87 - 12 - 8457/4.7=3, 8456/4.7=2...(4) HG LEU 54 - H VAL 120 lone 9 100 - 9 - 7010/6999=1, 8054/4.0=1 Peak 8441 from nnoeabs.peaks (1.40, 8.65, 114.21 ppm; 4.63 A): 4 out of 10 assignments used, quality = 0.95: QG2 THR 121 + H VAL 120 OK 62 81 - 76 - 4.2/1797=23, 4.0/1523=22...(13) QB ALA 122 + H VAL 120 OK 61 92 - 66 - 2.9/1797=30, 8094=16...(10) HG LEU 59 + H VAL 120 OK 48 100 - 48 - 3410=10, 6272/3.6=7...(13) HB3 LEU 93 + H VAL 120 OK 42 92 - 45 - 8047/4.0=7, 8055/4.0=6...(12) HB2 LEU 111 - H VAL 120 OK 40 99 - 41 - 3.8/1523=11, 4997/4.6=7...(9) HB2 LEU 27 - H VAL 120 OK 31 100 - 31 - 1.8/1394=4, 8047/4.0=3...(8) HG2 LYS 31 - H VAL 120 OK 28 65 - 43 - 2426/3.0=6, 1.8/5917=5...(15) HB VAL 110 - H VAL 120 OK 27 100 - 27 - 4.4/1523=9, 5877/4.6=5...(7) HB2 LEU 51 - H VAL 120 poor 8 78 - 10 - 6272/3.6=3, 5606/4.6=2 QB ALA 98 - H VAL 120 lone 6 71 - 9 - 6272/3.6=2, 8094=1 Peak 8451 from nnoeabs.peaks (0.02, 7.48, 119.90 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.73: QG2 VAL 110 + H LYS 109 OK 73 100 - 74 - 1336/4.7=25, 7863=22...(9) Peak 8464 from nnoeabs.peaks (5.04, 8.59, 122.52 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.72: HG1 THR 17 + H VAL 18 OK 72 100 - 72 - 2.8/44=27, 3.0/5456=24...(9) Peak 8467 from nnoeabs.peaks (5.04, 7.99, 118.31 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.77: HG1 THR 17 + H THR 17 OK 71 99 - 72 - 4.8=36, 2.8/820=18...(11) HG1 THR 17 + H THR 116 OK 20 70 - 29 - 8603/4.3=15, 2.8/820=5...(6) Peak 8472 from nnoeabs.peaks (5.04, 8.45, 118.13 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.63: HG1 THR 17 + H GLN 16 OK 63 99 - 64 - 8467/4.6=27, 8471/4.0=14...(8) Peak 8538 from nnoeabs.peaks (7.14, 7.14, 84.23 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE ARG 53 + HE ARG 53 OK 100 100 - 100 HE ARG 92 - HE ARG 92 OK 15 15 - 100 Peak 8539 from nnoeabs.peaks (3.18, 7.14, 84.23 ppm; 4.54 A): 1 out of 10 assignments used, quality = 1.00: HD2 ARG 53 + HE ARG 53 OK 100 100 - 100 - 2.9=100 HD3 ARG 71 - HE ARG 53 OK 30 100 - 30 - 3175/2.9=4, 3151/4.0=4...(13) HB2 HIS 10 - HE ARG 53 OK 18 60 - 30 - 1.8/8540=6, 3175/2.9=4...(11) HD2 ARG 81 - HE ARG 53 OK 15 83 - 17 - 6957=3, 3175/2.9=1...(6) HD2 ARG 53 - HE ARG 92 poor 9 34 - 26 - 6957=5, 3.0/8635=2...(14) HB3 PHE 83 - HE ARG 53 lone 5 63 - 8 - 1.8/4203=1 HD2 ARG 81 - HE ARG 92 poor 3 24 - 12 - 4151/2.9=1, 4151/2.9=1...(4) HB3 PHE 83 - HE ARG 92 lone 2 17 - 9 - 1.8/4203=2, 3.0/4196=2...(5) HD3 ARG 71 - HE ARG 92 lone 1 34 - 2 - HB2 HIS 10 - HE ARG 92 lone 0 16 - 2 - Peak 8540 from nnoeabs.peaks (3.09, 7.14, 84.23 ppm; 4.46 A): 1 out of 12 assignments used, quality = 1.00: HD3 ARG 53 + HE ARG 53 OK 100 100 - 100 - 2.9=100 HB3 HIS 10 - HE ARG 53 OK 31 98 - 31 - 1831/2.9=5, ~1828=4...(11) HB3 CYS 52 - HE ARG 53 OK 28 78 - 35 - 3160/4.0=4, 3136/4.7=4...(13) HB2 PHE 107 - HE ARG 53 OK 22 89 - 25 - 3136/4.7=3, 3160/4.0=3...(12) HD3 ARG 53 - HE ARG 92 poor 9 35 - 25 - 1.8/6957=3, 3160/5.1=3...(13) HB3 CYS 76 - HE ARG 53 lone 6 83 - 7 - HB3 ASP 100 - HE ARG 53 lone 5 78 - 7 - HB3 CYS 52 - HE ARG 92 lone 1 22 - 4 - 3.0/6943=2 HB3 HIS 10 - HE ARG 92 lone 1 32 - 2 - HB2 PHE 107 - HE ARG 92 lone 0 27 - 2 - HB3 ASP 100 - HE ARG 92 lone 0 22 - 1 - HB3 CYS 76 - HE ARG 92 lone 0 24 - 1 - Peak 8541 from nnoeabs.peaks (1.83, 7.14, 84.23 ppm; 4.66 A): 3 out of 24 assignments used, quality = 1.00: HG3 ARG 53 + HE ARG 53 OK 100 100 - 100 - 4.0=100 HG LEU 41 + HE ARG 53 OK 54 99 - 55 - 2.1/6769=14, 6765=12...(14) HG13 ILE 63 + HE ARG 53 OK 51 99 - 52 - 3174/2.9=7, 3150/4.0=6...(14) HB3 ARG 92 - HE ARG 53 OK 28 83 - 35 - 3160/2.9=5, 3159/2.9=4...(14) HB3 ARG 92 - HE ARG 92 OK 22 24 - 89 - 5.1=75, ~4464=9, ~4456=9...(13) HB3 ARG 57 - HE ARG 53 OK 17 93 - 18 - 3174/2.9=2, 3166/2.9=2...(7) HG2 GLU 73 - HE ARG 53 OK 16 96 - 16 - ~6973=2, 3174/2.9=2...(8) HG3 GLU 73 - HE ARG 53 OK 15 95 - 16 - ~6973=2, 3174/2.9=2...(8) HG3 ARG 53 - HE ARG 92 OK 11 35 - 32 - 8430/5.9=4, 4425/5.1=3...(15) HB2 PRO 60 - HE ARG 53 OK 10 76 - 13 - 3134/4.7=2, 3174/2.9=2...(7) HG12 ILE 22 - HE ARG 53 lone 5 81 - 6 - HB2 GLU 69 - HE ARG 53 lone 5 99 - 5 - HB3 ARG 57 - HE ARG 92 poor 4 29 - 15 - 3314/2.9=2, 3314/2.9=2...(6) HB3 GLN 105 - HE ARG 53 lone 4 99 - 4 - HG2 GLU 75 - HE ARG 53 lone 4 95 - 4 - HG LEU 41 - HE ARG 92 poor 4 34 - 11 - 6765=2, 2.1/6769=2...(4) HG13 ILE 63 - HE ARG 92 lone 3 34 - 8 - 2.1/7131=2 HB3 GLN 105 - HE ARG 92 lone 1 33 - 3 - HB2 PRO 60 - HE ARG 92 lone 1 21 - 4 - HG2 GLU 75 - HE ARG 92 lone 1 30 - 2 - HB2 GLU 69 - HE ARG 92 lone 1 33 - 2 - HG12 ILE 22 - HE ARG 92 lone 0 23 - 2 - HG2 GLU 73 - HE ARG 92 lone 0 31 - 1 - HG3 GLU 73 - HE ARG 92 lone 0 30 - 1 - Peak 8542 from nnoeabs.peaks (1.61, 7.14, 84.23 ppm; 4.90 A): 2 out of 38 assignments used, quality = 1.00: HG2 ARG 53 + HE ARG 53 OK 100 100 - 100 - 4.0=100 HG12 ILE 63 + HE ARG 53 OK 52 99 - 52 - 3173/2.9=7, 3524/4.0=6...(15) HB3 LEU 126 - HE ARG 53 OK 33 100 - 34 - 3.1/8543=4, 3173/2.9=4...(13) HB2 LEU 126 - HE ARG 53 OK 33 99 - 34 - 3.1/8543=4, 3173/2.9=4...(13) HG LEU 126 - HE ARG 53 OK 26 95 - 27 - 2.1/8543=5, ~6971=4...(10) HG LEU 101 - HE ARG 53 OK 23 97 - 24 - 8635=4, 3151/2.9=4...(9) HD3 LYS 31 - HE ARG 53 OK 15 95 - 16 - 3173/2.9=2, 3133/4.7=2...(8) HD2 LYS 31 - HE ARG 53 OK 15 95 - 16 - 3173/2.9=2, 3133/4.7=2...(8) HG LEU 51 - HE ARG 53 OK 15 68 - 21 - ~6969=4, ~6972=4...(9) HG2 PRO 30 - HE ARG 53 OK 12 100 - 12 - 3173/2.9=1, 3133/4.7=1...(4) HG2 ARG 53 - HE ARG 92 OK 12 35 - 34 - 3151/2.9=4, 8635=4...(16) HB2 LEU 59 - HE ARG 53 OK 10 90 - 11 - 3.2/8543=2, 3.2/7004=2...(4) HG2 ARG 57 - HE ARG 53 poor 8 63 - 12 - 3.0/8541=2, ~3174=1...(4) HG2 ARG 81 - HE ARG 53 poor 8 63 - 12 - 3.0/8539=3 HG3 ARG 81 - HE ARG 53 poor 8 63 - 12 - 3.0/8539=3 HD3 LYS 32 - HE ARG 53 lone 5 100 - 5 - HD2 LYS 32 - HE ARG 53 lone 5 100 - 5 - HD3 LYS 119 - HE ARG 53 lone 5 97 - 5 - HD2 LYS 119 - HE ARG 53 lone 5 96 - 5 - HB3 GLN 42 - HE ARG 53 lone 4 63 - 6 - HG12 ILE 63 - HE ARG 92 lone 2 34 - 6 - 2.1/7131=2 HG2 ARG 81 - HE ARG 92 poor 2 17 - 12 - ~4119=1, ~4127=1 HG3 ARG 81 - HE ARG 92 poor 2 17 - 12 - ~4119=1, ~4127=1 HG2 ARG 57 - HE ARG 92 poor 2 17 - 11 - ~3330=1, 3322/2.9=1...(4) HB3 LEU 126 - HE ARG 92 lone 2 34 - 4 - HB2 LEU 126 - HE ARG 92 lone 2 34 - 4 - HG LEU 101 - HE ARG 92 lone 1 31 - 3 - HG2 PRO 30 - HE ARG 92 lone 1 34 - 2 - HG LEU 126 - HE ARG 92 lone 1 30 - 3 - HD3 LYS 31 - HE ARG 92 lone 1 30 - 2 - HD2 LYS 31 - HE ARG 92 lone 1 30 - 2 - HB2 LEU 59 - HE ARG 92 lone 1 28 - 2 - HD2 LYS 32 - HE ARG 92 lone 1 35 - 2 - HD3 LYS 32 - HE ARG 92 lone 1 35 - 2 - HD3 LYS 119 - HE ARG 92 lone 1 31 - 2 - HD2 LYS 119 - HE ARG 92 lone 1 31 - 2 - HG LEU 51 - HE ARG 92 lone 0 19 - 3 - HB3 GLN 42 - HE ARG 92 lone 0 17 - 2 - Peak 8543 from nnoeabs.peaks (0.89, 7.14, 84.23 ppm; 4.73 A): 5 out of 16 assignments used, quality = 0.88: QG1 VAL 49 + HE ARG 53 OK 57 100 - 57 - 6902/2.9=15, 6968/2.9=12...(10) QD2 LEU 41 + HE ARG 53 OK 54 100 - 55 - 6769=17, 2.1/6765=10...(11) QD2 LEU 126 + HE ARG 53 OK 21 95 - 23 - 6971/2.9=5, 6968/2.9=5...(8) QD1 LEU 126 + HE ARG 53 OK 15 76 - 20 - ~6971=4, ~6968=3...(7) QD2 LEU 59 + HE ARG 53 OK 10 100 - 10 - 6968/2.9=2, 2.1/7004=2 HG13 ILE 80 - HE ARG 53 lone 7 90 - 8 - 6971/2.9=2, 6968/2.9=2 QD1 LEU 117 - HE ARG 53 lone 5 73 - 7 - ~6970=3 QD1 ILE 124 - HE ARG 53 lone 4 100 - 4 - QD2 LEU 41 - HE ARG 92 poor 4 34 - 11 - 6769=2, 2.1/6765=2...(4) QG1 VAL 49 - HE ARG 92 lone 2 34 - 4 - QD2 LEU 126 - HE ARG 92 lone 1 30 - 3 - QD2 LEU 59 - HE ARG 92 lone 1 34 - 2 - HG13 ILE 80 - HE ARG 92 lone 1 28 - 2 - QD1 ILE 124 - HE ARG 92 lone 1 35 - 2 - QD1 LEU 126 - HE ARG 92 lone 0 21 - 2 - QD1 LEU 117 - HE ARG 92 lone 0 20 - 2 - Peak 8544 from nnoeabs.peaks (7.26, 7.26, 84.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 57 + HE ARG 57 OK 100 100 - 100 Peak 8546 from nnoeabs.peaks (4.11, 7.26, 84.12 ppm; 4.81 A): 3 out of 9 assignments used, quality = 0.96: HA ARG 57 + HE ARG 57 OK 81 100 - 82 - 6.3=45, 3297/2.9=26...(12) HA LEU 24 + HE ARG 57 OK 61 97 - 63 - 6471=12, 4.0/8551=8...(15) HA3 GLY 25 + HE ARG 57 OK 45 100 - 46 - 5494=9, 3.0/1440=8...(11) HA ILE 63 - HE ARG 57 OK 22 60 - 36 - 3340/2.9=6, 3332/2.9=6...(11) HA ALA 98 - HE ARG 57 OK 10 63 - 16 - 3.0/7658=3, 2.1/7656=3...(4) HB3 SER 78 - HE ARG 57 lone 8 87 - 9 - 3340/2.9=1, 3332/2.9=1 HA LYS 31 - HE ARG 57 lone 2 71 - 3 - HB3 SER 72 - HE ARG 57 lone 2 57 - 3 - HA VAL 120 - HE ARG 57 lone 2 71 - 2 - Peak 8547 from nnoeabs.peaks (3.32, 7.26, 84.12 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: HD2 ARG 57 + HE ARG 57 OK 100 100 - 100 - 2.9=100 HD3 PRO 60 - HE ARG 57 OK 40 83 - 49 - 3329/3.5=8, 3345/2.9=8...(16) HD3 ARG 85 - HE ARG 57 OK 21 92 - 22 - 3329/3.5=3, 3321/3.5=3...(11) Peak 8548 from nnoeabs.peaks (3.13, 7.26, 84.12 ppm; 3.73 A): 1 out of 9 assignments used, quality = 1.00: HD3 ARG 57 + HE ARG 57 OK 100 100 - 100 - 2.9=100 HD3 ARG 81 - HE ARG 57 OK 41 100 - 42 - 3338/2.9=7, 3330/3.5=6...(19) HB3 ASP 100 - HE ARG 57 OK 21 97 - 22 - 7687=4, 1.8/7686=3...(10) HB3 CYS 52 - HE ARG 57 OK 13 97 - 14 - 3338/2.9=2, 3330/3.5=2...(6) HB2 PHE 107 - HE ARG 57 lone 9 92 - 10 - 3338/2.9=1, 3330/3.5=1 HB3 CYS 76 - HE ARG 57 lone 7 96 - 8 - 4.0/7926=1 HD2 ARG 92 - HE ARG 57 lone 7 78 - 9 - 3338/2.9=1, 3330/3.5=1 HD3 ARG 92 - HE ARG 57 lone 7 76 - 9 - 3338/2.9=1, 3330/3.5=1 HB2 HIS 10 - HE ARG 57 lone 1 68 - 2 - Peak 8549 from nnoeabs.peaks (1.58, 7.26, 84.12 ppm; 4.73 A): 3 out of 12 assignments used, quality = 1.00: HG2 ARG 57 + HE ARG 57 OK 100 100 - 100 - 3.5=100 HG2 ARG 81 + HE ARG 57 OK 57 100 - 57 - 3.0/8548=8, 3343/2.9=8...(18) HG3 ARG 81 + HE ARG 57 OK 57 100 - 57 - 3.0/8548=8, 3343/2.9=8...(18) HG12 ILE 63 - HE ARG 57 OK 36 83 - 43 - 3343/2.9=5, 3335/2.9=5...(14) HD2 LYS 119 - HE ARG 57 OK 22 93 - 24 - 3335/2.9=3, 3343/2.9=3...(12) HD3 LYS 119 - HE ARG 57 OK 22 92 - 24 - 3335/2.9=3, 3343/2.9=3...(12) HG LEU 126 - HE ARG 57 OK 12 95 - 13 - 3321/2.9=3, 8643=2...(4) HB2 LEU 126 - HE ARG 57 OK 11 83 - 12 - ~3321=1, 3335/2.9=1...(4) HB3 LEU 126 - HE ARG 57 OK 10 81 - 12 - ~3321=1, 3.0/8643=1...(4) HG2 ARG 53 - HE ARG 57 poor 9 63 - 14 - ~3342=2, ~3334=1...(5) HD2 LYS 32 - HE ARG 57 lone 1 63 - 2 - HD3 LYS 32 - HE ARG 57 lone 1 63 - 2 - Peak 8550 from nnoeabs.peaks (1.49, 7.26, 84.12 ppm; 4.56 A): 2 out of 15 assignments used, quality = 0.93: HG3 ARG 57 + HE ARG 57 OK 87 87 - 100 - 3.5=100 HB2 LEU 24 + HE ARG 57 OK 49 81 - 61 - ~6469=10, 3.1/8551=9...(16) HG2 ARG 85 - HE ARG 57 OK 15 95 - 16 - 3.0/8547=5, 4305/2.9=3...(5) HG2 LYS 119 - HE ARG 57 OK 15 71 - 21 - 3336/2.9=3, 3344/2.9=3...(11) HB3 LEU 58 - HE ARG 57 OK 14 100 - 15 - 3336/2.9=2, 3344/2.9=2...(5) HG3 ARG 92 - HE ARG 57 poor 10 76 - 13 - 3.0/8548=1, 3.0/8548=1 HG2 ARG 92 - HE ARG 57 poor 9 71 - 13 - 3.0/8548=1, 3.0/8548=1 QB ALA 14 - HE ARG 57 lone 7 83 - 9 - 6307/4.9=1, 3344/2.9=1...(4) HG2 LYS 109 - HE ARG 57 lone 6 100 - 6 - HB2 LEU 93 - HE ARG 57 lone 5 83 - 6 - HG LEU 93 - HE ARG 57 lone 5 99 - 5 - HG LEU 91 - HE ARG 57 lone 4 100 - 4 - HB3 LEU 114 - HE ARG 57 lone 4 92 - 4 - 5072/4.9=1 HD2 LYS 46 - HE ARG 57 lone 4 65 - 6 - HG3 LYS 31 - HE ARG 57 lone 3 78 - 4 - Peak 8551 from nnoeabs.peaks (0.64, 7.26, 84.12 ppm; 4.65 A): 5 out of 5 assignments used, quality = 0.92: QG2 VAL 26 + HE ARG 57 OK 66 87 - 76 - 7039/3.5=13, 7042/2.9=12...(18) QD2 LEU 24 + HE ARG 57 OK 53 83 - 65 - 6469/2.9=16, 7039/3.5=10...(14) QD1 LEU 21 + HE ARG 57 OK 30 97 - 31 - 7039/3.5=6, 2.1/6395=6...(8) QD1 LEU 51 + HE ARG 57 OK 18 81 - 22 - 7042/2.9=4, 7043/2.9=3...(8) QD1 LEU 45 + HE ARG 57 OK 14 100 - 14 - 7039/3.5=3, 7042/2.9=2...(5) Peak 8557 from nnoeabs.peaks (7.25, 7.25, 85.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 71 + HE ARG 71 OK 100 100 - 100 Peak 8560 from nnoeabs.peaks (3.20, 7.25, 85.04 ppm; 4.45 A): 2 out of 7 assignments used, quality = 0.99: HD3 ARG 71 + HE ARG 71 OK 89 89 - 100 - 2.9=100 HD2 ARG 71 + HE ARG 71 OK 87 87 - 100 - 2.9=100 HD2 ARG 81 - HE ARG 71 OK 35 100 - 35 - 3885/2.9=4, 3892/2.9=4...(17) HA GLN 42 - HE ARG 71 OK 29 97 - 30 - 3892/2.9=4, 3860/4.6=4...(12) HD2 ARG 53 - HE ARG 71 OK 17 65 - 27 - 3861/4.6=3, ~3175=3...(11) HB3 PHE 83 - HE ARG 71 lone 8 99 - 8 - ~4200=1 HB3 TRP 20 - HE ARG 71 lone 8 81 - 9 - ~2031=2, ~2021=1 Peak 8561 from nnoeabs.peaks (1.75, 7.25, 85.04 ppm; 5.01 A): 3 out of 16 assignments used, quality = 1.00: HG2 ARG 71 + HE ARG 71 OK 100 100 - 100 - 3.6=100 HG3 ARG 71 + HE ARG 71 OK 97 97 - 100 - 3.6=100 HB3 ARG 71 + HE ARG 71 OK 89 89 - 100 - 4.6=100 HB2 LEU 45 - HE ARG 71 OK 32 99 - 33 - 6032/2.9=12, 6032/2.9=7...(7) HB2 ARG 53 - HE ARG 71 OK 25 100 - 25 - 3135/2.9=7, ~3143=4...(7) HG3 PRO 30 - HE ARG 71 OK 25 87 - 29 - ~3888=4, ~3880=4, 8656=3...(12) HG2 GLN 42 - HE ARG 71 OK 23 93 - 25 - 2844/2.9=5, ~2852=5...(6) HB2 LYS 31 - HE ARG 71 OK 11 81 - 13 - 3860/2.9=3, 3861/2.9=3...(5) HB2 LEU 91 - HE ARG 71 lone 8 97 - 8 - 4380/6.4=2 HB3 LYS 46 - HE ARG 71 lone 7 99 - 7 - 2844/2.9=1 HD2 LYS 109 - HE ARG 71 lone 4 89 - 4 - HB VAL 66 - HE ARG 71 lone 4 100 - 4 - ~7188=1 HD3 LYS 109 - HE ARG 71 lone 4 83 - 4 - HB3 LEU 55 - HE ARG 71 lone 3 63 - 4 - HG LEU 117 - HE ARG 71 lone 2 89 - 3 - HB2 LEU 117 - HE ARG 71 lone 2 63 - 3 - Peak 8562 from nnoeabs.peaks (7.18, 7.18, 84.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 81 + HE ARG 81 OK 100 100 - 100 Peak 8565 from nnoeabs.peaks (3.21, 7.18, 84.31 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.99: HD2 ARG 81 + HE ARG 81 OK 97 97 - 100 - 2.9=100 HD2 ARG 71 + HE ARG 81 OK 46 97 - 48 - 3885/2.9=5, 4158/2.9=5...(22) HA GLN 42 - HE ARG 81 OK 43 100 - 43 - 3.0/8588=6, 3.0/6774=6...(18) HD3 ARG 71 - HE ARG 81 OK 34 71 - 48 - 4158/2.9=5, 8563=4...(22) HB3 PHE 83 - HE ARG 81 OK 30 100 - 30 - ~4200=5, ~4193=4...(11) HB3 TRP 20 - HE ARG 81 lone 6 95 - 6 - Peak 8566 from nnoeabs.peaks (3.13, 7.18, 84.31 ppm; 5.03 A): 3 out of 9 assignments used, quality = 1.00: HD3 ARG 81 + HE ARG 81 OK 100 100 - 100 - 2.9=100 HD3 ARG 57 + HE ARG 81 OK 62 100 - 63 - ~3338=7, 3343/4.0=7...(23) HB2 PHE 107 + HE ARG 81 OK 62 89 - 70 - 4833=10, 3.0/4826=9...(23) HD2 ARG 92 - HE ARG 81 OK 16 83 - 19 - 8564=2, 1.8/8564=2...(11) HD3 ARG 92 - HE ARG 81 OK 16 81 - 19 - 8564=2, 1.8/8564=2...(11) HB3 CYS 52 - HE ARG 81 OK 12 96 - 13 - ~3116=1, 8286/4.0=1...(4) HB3 ASP 100 - HE ARG 81 lone 7 96 - 8 - HB3 CYS 76 - HE ARG 81 lone 7 93 - 7 - ~3985=1 HB2 HIS 10 - HE ARG 81 lone 2 73 - 2 - Peak 8567 from nnoeabs.peaks (1.91, 7.18, 84.31 ppm; 5.50 A): 1 out of 17 assignments used, quality = 1.00: HB2 ARG 81 + HE ARG 81 OK 100 100 - 100 - 5.0=100 HB ILE 80 - HE ARG 81 OK 40 96 - 42 - 5740/7.1=19, ~6129=7...(10) HB2 LEU 84 - HE ARG 81 OK 39 99 - 39 - 6135/6.3=9, 3.1/8518=7...(10) HB3 GLU 73 - HE ARG 81 OK 32 100 - 32 - 4118/2.9=5, ~6082=5...(9) HG LEU 84 - HE ARG 81 OK 27 78 - 34 - 2.1/8518=7, 7492/6.3=7...(10) HG LEU 55 - HE ARG 81 poor 9 68 - 13 - 3.0/8295=4, 3.0/8294=3 HB ILE 22 - HE ARG 81 lone 8 100 - 8 - HB2 GLU 28 - HE ARG 81 lone 8 99 - 8 - 4154/2.9=1 HB2 LYS 119 - HE ARG 81 lone 5 71 - 8 - 6134/6.3=1 HB2 LEU 21 - HE ARG 81 lone 5 90 - 6 - HB3 GLU 64 - HE ARG 81 lone 4 71 - 6 - HB2 GLU 64 - HE ARG 81 lone 4 65 - 6 - HB3 LYS 31 - HE ARG 81 lone 4 71 - 5 - HB3 MET 11 - HE ARG 81 lone 4 99 - 4 - HB VAL 50 - HE ARG 81 lone 3 71 - 5 - HB2 LYS 109 - HE ARG 81 lone 3 65 - 5 - 4.6/7850=1 HG LEU 58 - HE ARG 81 lone 3 78 - 4 - Peak 8568 from nnoeabs.peaks (4.50, 7.47, 107.96 ppm; 4.16 A): 0 out of 7 assignments used, low quality = 0.39: HA LEU 101 - H GLY 104 OK 30 100 - 30 - 1735/4.6=10, 3.6/7780=9...(4) HA PRO 30 - H GLY 104 OK 14 100 - 14 - 3.6/1293=3, 1735/4.6=2...(5) HA PRO 70 - H GLY 104 lone 7 95 - 7 - 1735/4.6=2, 3.8/514=2 HA ARG 71 - H GLY 104 lone 6 95 - 6 - 1735/4.6=2, 3.0/515=1 HA LEU 91 - H GLY 104 lone 4 98 - 4 - 1735/4.6=1 HB THR 23 - H GLY 104 lone 4 87 - 4 - 4.4/1507=1, 5485/4.7=1 HA PRO 60 - H GLY 104 lone 1 60 - 2 - Peak 8569 from nnoeabs.peaks (8.66, 8.21, 121.29 ppm; 5.34 A): 1 out of 10 assignments used, quality = 0.99: H ASN 12 + H MET 11 OK 99 99 - 100 - 4.6=100 H ASN 12 - H ASP 100 OK 42 92 - 46 - 7690/2.9=11, 4.2/8595=8...(10) H ASN 106 - H ASP 100 OK 28 52 - 53 - 7690/2.9=26, 2.9/5=9...(8) H LEU 117 - H MET 11 OK 12 100 - 12 - 594/2.9=4, 8597/4.1=3...(4) H ASN 106 - H MET 11 poor 9 60 - 15 - 7690/4632=3, 2.9/5=3...(6) H LEU 59 - H MET 11 lone 8 100 - 8 - 8597/4.1=3, 8596/4.1=2 H VAL 120 - H MET 11 lone 7 96 - 7 - 8597/4.1=2, 5431/2.9=1 H LEU 117 - H ASP 100 lone 5 94 - 5 - 7690/2.9=2 H VAL 120 - H ASP 100 lone 5 87 - 6 - 7690/2.9=3 H LEU 59 - H ASP 100 lone 3 94 - 3 - Peak 8571 from nnoeabs.peaks (4.23, 7.37, 111.63 ppm; 5.17 A): 4 out of 12 assignments used, quality = 0.87: HA THR 17 + HE21 GLN 16 OK 62 100 - 62 - ~39=12, ~5453=12...(10) HA VAL 26 + HE21 GLN 16 OK 35 96 - 37 - 8182/3.5=14, 8181/3.5=9...(8) HA SER 13 + HE21 GLN 16 OK 26 89 - 30 - 8182/3.5=12, 8181/3.5=8...(5) HB THR 19 + HE21 GLN 16 OK 25 90 - 28 - 5963/5.4=11, 6374/4.5=5...(6) HA ILE 22 - HE21 GLN 16 lone 7 89 - 7 - 6325/3.5=2, 6324/3.5=1...(5) HA CYS 52 - HE21 GLN 16 lone 5 97 - 5 - 6325/3.5=1, 6324/3.5=1 HA VAL 66 - HE21 GLN 16 lone 4 87 - 5 - HA ALA 89 - HE21 GLN 16 lone 3 97 - 3 - HA3 GLY 48 - HE21 GLN 16 lone 2 92 - 2 - HA LEU 58 - HE21 GLN 16 lone 2 81 - 3 - HA LEU 126 - HE21 GLN 16 lone 2 73 - 3 - HA GLU 64 - HE21 GLN 16 lone 2 65 - 3 - Peak 8572 from nnoeabs.peaks (4.37, 7.88, 119.17 ppm; 5.35 A): 1 out of 8 assignments used, quality = 0.97: HA SER 35 + H ASP 36 OK 97 97 - 100 - 3.6=100 HA CYS 76 - H ASP 36 OK 11 98 - 11 - 3.0/924=3, 2635/4.5=1...(6) HA PHE 40 - H ASP 36 OK 10 63 - 16 - 6735/6661=10, ~6659=4 HA ASP 100 - H ASP 36 lone 9 92 - 10 - 3.6/1730=5, 6626/6661=2 HB THR 116 - H ASP 36 lone 4 100 - 4 - HA MET 11 - H ASP 36 lone 4 100 - 4 - HA LEU 93 - H ASP 36 lone 4 90 - 4 - 2635/4.5=2, 2632/4.5=1 HA GLN 105 - H ASP 36 lone 4 95 - 4 - Peak 8573 from nnoeabs.peaks (4.06, 7.72, 117.75 ppm; 4.04 A): 7 out of 8 assignments used, quality = 0.90: HA LEU 55 + H LEU 58 OK 50 99 - 51 - 8639=14, 6999/4.6=7...(12) HA LYS 109 + H LEU 58 OK 47 96 - 50 - 4883/3.9=6, 2.9/1047=6...(17) HA VAL 120 + H LEU 58 OK 28 87 - 32 - 3.0/1794=10, 7071/4.6=4...(10) HA SER 112 + H LEU 58 OK 17 99 - 17 - 1637/4.6=3, 3.0/565=3...(7) HA LYS 31 + H LEU 58 OK 15 87 - 17 - 7057/3.9=3, 7071/4.6=3...(7) HD3 PRO 37 + H LEU 58 OK 14 81 - 17 - 1637/4.6=3, 2657/3.6=2...(8) HA TYR 102 + H LEU 58 OK 12 87 - 14 - 7739/4.8=2, 7739/4.8=2...(6) HA SER 44 - H LEU 58 lone 5 100 - 5 - Peak 8588 from nnoeabs.peaks (7.19, 8.05, 119.04 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.96: QD PHE 107 + H GLN 42 OK 93 100 - 93 - 2.2/4767=27, 4766=25...(21) QD TYR 67 + H GLN 42 OK 40 92 - 44 - 6774/4.0=7, 6772/3.0=6...(15) HE ARG 81 - H GLN 42 OK 37 100 - 37 - 8565/3.0=6, 6774/4.0=6...(13) H LYS 65 - H GLN 42 OK 12 60 - 20 - 6772/3.0=3, 6774/4.0=2...(7) Peak 8666 from nnoeabs.peaks (1.78, 8.77, 119.55 ppm; 4.86 A): 8 out of 15 assignments used, quality = 0.94: HB2 PRO 37 + H GLU 15 OK 79 99 - 80 - 6702=25, 2.3/6700=23...(13) HG3 PRO 30 + H GLU 15 OK 22 90 - 24 - 2.3/807=5, 6322/4.6=4...(8) HB2 GLU 75 + H GLU 15 OK 21 100 - 22 - 1.8/27=4, 6322/4.6=4...(6) HB2 LEU 117 + H GLU 15 OK 20 99 - 20 - 6307/3.7=3, 6322/4.6=3...(7) HG LEU 117 + H GLU 15 OK 15 89 - 17 - 6322/4.6=2, 3.0/809=2...(8) HB2 LYS 32 + H GLU 15 OK 14 99 - 14 - 8188/3.0=3, ~6319=2...(7) HB3 GLU 56 + H GLU 15 OK 13 95 - 14 - 8188/3.0=2, 3.0/809=2...(6) HB2 PRO 60 + H GLU 15 OK 11 73 - 15 - 2.3/6701=3, 6702=3...(5) HD3 LYS 109 - H GLU 15 lone 8 93 - 8 - 6307/3.7=2, 3.0/27=1 HD2 LYS 109 - H GLU 15 lone 7 89 - 8 - 6307/3.7=1, 3.0/27=1 HB3 LYS 46 - H GLU 15 lone 4 63 - 6 - 3.5/27=2 HG2 GLN 42 - H GLU 15 lone 3 83 - 4 - 6307/3.7=1 HB2 LEU 45 - H GLU 15 lone 3 68 - 4 - HG3 ARG 71 - H GLU 15 lone 2 76 - 2 - HB3 ARG 92 - H GLU 15 lone 2 65 - 2 - Peak 8693 from nnoeabs.peaks (3.21, 9.10, 121.85 ppm; 4.97 A): 2 out of 7 assignments used, quality = 0.98: HD2 ARG 71 + H ARG 71 OK 89 92 - 97 - 6.2=51, 1.8/3886=39...(16) HD3 ARG 71 + H ARG 71 OK 80 83 - 97 - 6.2=51, 1.8/3878=41...(16) HA GLN 42 - H ARG 71 OK 29 99 - 29 - 3844/3.0=6, 3860/4.0=5...(8) HD2 ARG 81 - H ARG 71 OK 25 100 - 25 - 3886=5, 3845/3.0=4...(10) HD2 ARG 53 - H ARG 71 OK 15 57 - 27 - 3845/3.0=5, 3861/4.0=4...(10) HB3 PHE 83 - H ARG 71 lone 9 100 - 9 - 3844/3.0=2, 3860/4.0=1 HB3 TRP 20 - H ARG 71 lone 7 87 - 8 - 3844/3.0=2, 3860/4.0=1 Peak 8699 from nnoeabs.peaks (4.83, 8.79, 113.48 ppm; 4.33 A): 3 out of 3 assignments used, quality = 0.80: HA ASP 97 + H ASN 99 OK 67 90 - 74 - 3.6/1501=29, 3.0/7650=26...(6) HA PHE 96 + H ASN 99 OK 23 85 - 27 - 3.6/486=15, 5815/4.6=6 HA TYR 67 + H ASN 99 OK 20 100 - 20 - 3.0/1263=4, 3.0/1263=4...(8) Peak 8702 from nnoeabs.peaks (7.11, 7.11, 84.56 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE ARG 92 + HE ARG 92 OK 100 100 - 100 HE ARG 53 - HE ARG 53 OK 15 15 - 100 Peak 8703 from nnoeabs.peaks (3.15, 7.11, 84.56 ppm; 4.89 A): 2 out of 14 assignments used, quality = 1.00: HD2 ARG 92 + HE ARG 92 OK 100 100 - 100 - 2.9=100 HD3 ARG 92 + HE ARG 92 OK 100 100 - 100 - 2.9=100 HD3 ARG 81 - HE ARG 92 OK 15 90 - 16 - 4428/5.1=1, ~8566=1, ~4151=1 HD3 ARG 57 - HE ARG 92 OK 11 78 - 14 - 4428/5.1=1, ~3338=1 HB2 HIS 10 - HE ARG 53 poor 9 34 - 27 - 1828/2.9=6, ~1831=4...(10) HD3 ARG 92 - HE ARG 53 poor 7 34 - 20 - 4437/4.0=2, ~6957=2...(8) HD2 ARG 92 - HE ARG 53 poor 7 35 - 19 - 4437/4.0=2, ~6957=2...(8) HB3 CYS 52 - HE ARG 92 lone 4 57 - 7 - 3.0/6943=5 HB3 CYS 52 - HE ARG 53 poor 4 15 - 24 - ~8429=4, ~3116=4...(8) HD3 ARG 81 - HE ARG 53 poor 3 28 - 11 - 1.8/6957=2, ~3175=1 HB2 HIS 10 - HE ARG 92 lone 3 99 - 3 - HD3 ARG 57 - HE ARG 53 poor 2 22 - 10 - 3342/4.0=2, ~3174=1 HB3 ASP 100 - HE ARG 92 lone 1 57 - 2 - HB3 ASP 100 - HE ARG 53 lone 1 15 - 4 - Peak 8707 from nnoeabs.peaks (7.98, 7.98, 81.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 85 + HE ARG 85 OK 100 100 - 100 Peak 8708 from nnoeabs.peaks (6.96, 7.98, 81.89 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.55: HD22 ASN 108 + HE ARG 85 OK 28 99 - 29 - 7503/2.9=12, 7832/4.0=9...(6) QE PHE 107 + HE ARG 85 OK 21 78 - 27 - 7503/2.9=10, 7498/4.0=6...(5) H LEU 101 + HE ARG 85 OK 21 100 - 20 - 7503/2.9=8, 7498/4.0=4...(4) HD22 ASN 12 - HE ARG 85 lone 6 99 - 6 - 7503/2.9=2, 7498/4.0=1 HD22 ASN 106 - HE ARG 85 lone 3 68 - 5 - Peak 8710 from nnoeabs.peaks (3.33, 7.98, 81.89 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: HD3 ARG 85 + HE ARG 85 OK 100 100 - 100 - 2.9=100 HD3 PRO 60 - HE ARG 85 OK 18 98 - 18 - 4321/2.9=3, 4305/4.0=3...(8) HD2 ARG 57 - HE ARG 85 OK 16 93 - 17 - 4321/2.9=2, 4305/4.0=2...(9) HB3 PHE 40 - HE ARG 85 OK 13 81 - 17 - 4313/4.0=3, 4305/4.0=2...(8) Peak 8711 from nnoeabs.peaks (3.03, 7.98, 81.89 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: HD2 ARG 85 + HE ARG 85 OK 100 100 - 100 - 2.9=100 HE2 LYS 109 - HE ARG 85 OK 42 99 - 42 - 4328/2.9=8, 7501=6...(12) HE3 LYS 109 - HE ARG 85 OK 42 99 - 42 - 4328/2.9=8, 7501=6...(12) HB2 TYR 102 - HE ARG 85 OK 10 98 - 10 - 4328/2.9=1, 6180/8745=1 Peak 8712 from nnoeabs.peaks (1.95, 7.98, 81.89 ppm; 3.97 A): 3 out of 15 assignments used, quality = 0.96: HB2 ARG 85 + HE ARG 85 OK 70 100 - 71 - 5.0=49, ~4281=8...(12) HB3 ARG 85 + HE ARG 85 OK 70 100 - 71 - 5.0=49, ~4281=8...(12) HB2 LYS 109 + HE ARG 85 OK 49 97 - 51 - 4325/2.9=6, 4899/2.9=5...(25) HG LEU 58 - HE ARG 85 lone 8 90 - 9 - 3.0/8714=1, 4325/2.9=1 HB2 GLU 38 - HE ARG 85 lone 7 99 - 7 - ~3305=1 HB3 GLU 94 - HE ARG 85 lone 5 100 - 5 - HB2 GLU 64 - HE ARG 85 lone 4 97 - 4 - HB3 GLU 64 - HE ARG 85 lone 4 95 - 4 - HB3 PRO 30 - HE ARG 85 lone 3 100 - 3 - HB3 LYS 119 - HE ARG 85 lone 3 100 - 3 - HB2 LEU 21 - HE ARG 85 lone 2 78 - 3 - HB ILE 80 - HE ARG 85 lone 2 68 - 3 - HG LEU 45 - HE ARG 85 lone 2 76 - 2 - HB3 GLU 69 - HE ARG 85 lone 1 100 - 1 - HB2 ARG 71 - HE ARG 85 lone 1 71 - 1 - Peak 8713 from nnoeabs.peaks (1.65, 7.98, 81.89 ppm; 4.63 A): 1 out of 11 assignments used, quality = 1.00: HG3 ARG 85 + HE ARG 85 OK 100 100 - 100 - 4.0=100 HB ILE 34 - HE ARG 85 OK 24 100 - 25 - 4327/2.9=5, ~6639=4...(9) HG LEU 27 - HE ARG 85 OK 18 99 - 19 - 4.3/8745=5, 2.1/8412=3...(7) HG LEU 51 - HE ARG 85 OK 17 97 - 17 - 4327/2.9=4, 4303/4.0=3...(8) HB3 LEU 41 - HE ARG 85 OK 15 97 - 16 - 4327/2.9=3, 3.1/8412=2...(6) HB2 LEU 59 - HE ARG 85 OK 12 81 - 15 - 4.8/8710=3, 4327/2.9=2...(6) HB3 GLN 42 - HE ARG 85 lone 9 98 - 9 - 4327/2.9=1 HG LEU 101 - HE ARG 85 poor 7 68 - 10 - 4.9/8708=6 HB3 LYS 32 - HE ARG 85 lone 5 99 - 4 - HD2 LYS 31 - HE ARG 85 lone 3 73 - 4 - HD3 LYS 31 - HE ARG 85 lone 3 73 - 4 - Peak 8714 from nnoeabs.peaks (1.50, 7.98, 81.89 ppm; 4.70 A): 2 out of 10 assignments used, quality = 1.00: HG2 ARG 85 + HE ARG 85 OK 99 99 - 100 - 4.0=100 HG2 LYS 109 + HE ARG 85 OK 49 71 - 70 - 4326/2.9=10, 2.9/8712=8...(31) HB3 LEU 114 - HE ARG 85 OK 24 100 - 24 - 5070=4, 1.8/5063=3...(11) HG2 ARG 92 - HE ARG 85 OK 20 100 - 19 - 4326/2.9=2, 3.0/4422=2...(8) HG3 ARG 92 - HE ARG 85 OK 20 100 - 19 - 4326/2.9=2, 3.0/4422=2...(8) HB3 LEU 58 - HE ARG 85 OK 15 87 - 17 - 4326/2.9=3, 4310/4.0=2...(5) HB2 LEU 24 - HE ARG 85 OK 14 100 - 14 - ~6469=3, 4326/2.9=2...(6) HG LEU 91 - HE ARG 85 OK 12 90 - 13 - 4326/2.9=1, 2.1/5792=1 HG LEU 93 - HE ARG 85 OK 11 95 - 11 - 4326/2.9=1, 2.1/8527=1 HD3 LYS 46 - HE ARG 85 lone 2 76 - 2 - Peak 8736 from nnoeabs.peaks (4.81, 8.26, 117.58 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.63: HA TYR 67 + H GLU 69 OK 54 93 - 58 - 4.8/320=16, 8317/3.9=14...(8) HA PHE 96 + H GLU 69 OK 20 100 - 20 - 8317/3.9=8, 3.6/7653=5...(4) Peak 8745 from nnoeabs.peaks (4.55, 7.98, 81.89 ppm; 4.91 A): 0 out of 6 assignments used, low quality = 0.44: HA GLU 82 - HE ARG 85 OK 25 100 - 25 - 6140/7.2=10, 6143/5.0=7...(4) HA LEU 27 - HE ARG 85 OK 14 96 - 14 - 1692/7.2=3, 4.3/8713=2...(6) HA ASN 99 - HE ARG 85 OK 13 98 - 13 - 6180/2.9=4, 6178/8708=2...(4) HA ASN 79 - HE ARG 85 lone 6 100 - 6 - 1692/7.2=2, 6144/5.0=1 HA THR 95 - HE ARG 85 lone 6 100 - 6 - 1692/7.2=1, 6144/5.0=1 HB THR 121 - HE ARG 85 lone 3 95 - 3 - Peak 1820 from cnoeabs.peaks (8.49, 3.90, 44.62 ppm; 5.24 A): 2 out of 16 assignments used, quality = 1.00: H GLY 2 + HA3 GLY 2 OK 100 100 - 100 - 3.0=100 * H GLY 2 + HA2 GLY 2 OK 100 100 - 100 - 3.0=100 H PHE 40 - HA2 GLY 2 lone 4 100 - 4 - 6736/2602=1 H PHE 40 - HA3 GLY 2 lone 4 100 - 4 - 6736/2602=1 H LEU 84 - HA3 GLY 2 lone 3 99 - 3 - H LEU 84 - HA2 GLY 2 lone 3 99 - 3 - H GLU 28 - HA2 GLY 2 lone 3 97 - 3 - H GLU 28 - HA3 GLY 2 lone 3 97 - 3 - H TYR 102 - HA3 GLY 2 lone 2 98 - 2 - H TYR 102 - HA2 GLY 2 lone 2 98 - 2 - H LYS 31 - HA3 GLY 2 lone 2 98 - 2 - H LYS 31 - HA2 GLY 2 lone 2 98 - 2 - H LEU 77 - HA2 GLY 2 lone 2 78 - 2 - H LEU 77 - HA3 GLY 2 lone 2 78 - 2 - H SER 13 - HA2 GLY 2 lone 2 95 - 2 - H SER 13 - HA3 GLY 2 lone 2 95 - 2 - Peak 1821 from cnoeabs.peaks (3.90, 3.90, 44.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 * HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Peak 1822 from cnoeabs.peaks (4.63, 4.63, 55.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 Peak 1823 from cnoeabs.peaks (3.15, 4.63, 55.91 ppm; 3.19 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 - 100 - 3.0=100 HD2 ARG 53 - HA HIS 10 OK 12 73 - 17 - 1.8/1824=5, 1831/3.0=3...(5) HD3 ARG 92 - HA HIS 10 lone 1 100 - 1 - HD2 ARG 92 - HA HIS 10 lone 1 100 - 1 - HD3 ARG 81 - HA HIS 10 lone 1 78 - 1 - HD3 ARG 57 - HA HIS 10 lone 1 63 - 1 - Peak 1824 from cnoeabs.peaks (3.08, 4.63, 55.91 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 - 100 - 3.0=100 HD3 ARG 53 - HA HIS 10 OK 20 97 - 21 - 1.8/1823=4, 1828/3.0=4...(9) HB2 PHE 107 - HA HIS 10 lone 1 68 - 2 - HB3 CYS 76 - HA HIS 10 lone 1 60 - 1 - Peak 1826 from cnoeabs.peaks (4.63, 3.15, 29.76 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 3.0=100 HA ASN 106 - HB2 HIS 10 lone 5 83 - 5 - 1830/1.8=2 HA ASP 123 - HB2 HIS 10 lone 3 100 - 3 - 1830/1.8=1 Peak 1827 from cnoeabs.peaks (3.15, 3.15, 29.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 Peak 1828 from cnoeabs.peaks (3.08, 3.15, 29.76 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 1.8=100 HD3 ARG 53 - HB2 HIS 10 OK 13 97 - 14 - 3175=3, 1824/3.0=2...(4) HB2 PHE 107 - HB2 HIS 10 lone 0 68 - 1 - HB3 CYS 76 - HB2 HIS 10 lone 0 60 - 0 - Peak 1829 from cnoeabs.peaks (7.06, 3.15, 29.76 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 4.0=100 HZ PHE 96 - HB2 HIS 10 lone 1 73 - 1 - Peak 1830 from cnoeabs.peaks (4.63, 3.08, 29.76 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 3.0=100 HA ASN 106 - HB3 HIS 10 lone 4 83 - 5 - 1826/1.8=1 HA ASP 123 - HB3 HIS 10 lone 3 100 - 3 - 1826/1.8=1 Peak 1831 from cnoeabs.peaks (3.15, 3.08, 29.76 ppm; 2.42 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 1.8=100 HD2 ARG 53 - HB3 HIS 10 OK 12 73 - 16 - 3168=3, ~1828=2...(8) HD3 ARG 92 - HB3 HIS 10 lone 1 100 - 1 - HD2 ARG 92 - HB3 HIS 10 lone 1 100 - 1 - HD3 ARG 81 - HB3 HIS 10 lone 0 78 - 1 - HD3 ARG 57 - HB3 HIS 10 lone 0 63 - 1 - Peak 1832 from cnoeabs.peaks (3.08, 3.08, 29.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 1833 from cnoeabs.peaks (7.06, 3.08, 29.76 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 4.0=100 HZ PHE 96 - HB3 HIS 10 lone 1 73 - 1 - Peak 1835 from cnoeabs.peaks (3.15, 7.06, 119.66 ppm; 4.80 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.0=100 HD2 ARG 53 - HD2 HIS 10 poor 10 73 - 13 - 1.8/1836=5, 1831/4.0=5 HD3 ARG 92 - HD2 HIS 10 lone 2 100 - 2 - HD2 ARG 92 - HD2 HIS 10 lone 2 100 - 2 - HD3 ARG 81 - HD2 HIS 10 lone 1 78 - 1 - HD3 ARG 57 - HD2 HIS 10 lone 1 63 - 1 - Peak 1836 from cnoeabs.peaks (3.08, 7.06, 119.66 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.0=100 HD3 ARG 53 - HD2 HIS 10 OK 13 97 - 13 - 1828/4.0=5, 1824/4.6=5 HB2 PHE 107 - HD2 HIS 10 lone 1 68 - 1 - HB3 CYS 76 - HD2 HIS 10 lone 1 60 - 1 - Peak 1837 from cnoeabs.peaks (7.06, 7.06, 119.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 Peak 1838 from cnoeabs.peaks (8.21, 4.37, 55.90 ppm; 5.30 A): 2 out of 6 assignments used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 - 100 - 2.9=100 H ASP 100 + HA MET 11 OK 51 95 - 54 - 8595/3.0=10, 8594/3.0=9...(14) H ASP 100 - HA GLN 105 OK 25 47 - 53 - ~7689=15, ~7695=13...(11) H LEU 21 - HA MET 11 OK 20 100 - 20 - ~2098=6, 3.8/1841=5...(5) H MET 11 - HA GLN 105 OK 13 55 - 24 - 4.1/1851=4, 4.1/1845=3...(11) H LEU 21 - HA GLN 105 lone 4 53 - 7 - ~5990=2, 845/3.0=1 Peak 1839 from cnoeabs.peaks (4.37, 4.37, 55.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 HA GLN 105 + HA GLN 105 OK 47 47 - 100 Peak 1840 from cnoeabs.peaks (1.98, 4.37, 55.90 ppm; 3.48 A): 1 out of 26 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB3 GLN 103 - HA MET 11 OK 35 100 - 36 - 1.8/1842=6, 1852/3.0=5...(16) HB2 LYS 46 - HA MET 11 OK 18 96 - 19 - 1845=3, 1852/3.0=3...(6) HB3 GLN 103 - HA GLN 105 poor 9 54 - 17 - 7781/2.9=8, ~7766=4...(4) HB2 MET 11 - HA GLN 105 poor 9 55 - 16 - 7781/2.9=3, 1.8/1851=3...(5) HB2 LEU 41 - HA MET 11 lone 4 100 - 4 - HB3 PRO 68 - HA MET 11 lone 4 100 - 4 - HG2 PRO 60 - HA MET 11 lone 4 99 - 4 - HG LEU 114 - HA MET 11 lone 4 99 - 4 - HG2 PRO 68 - HA MET 11 lone 4 99 - 4 - HB ILE 124 - HA MET 11 lone 3 100 - 3 - HB2 LEU 55 - HA MET 11 lone 3 92 - 3 - HG LEU 45 - HA MET 11 lone 3 93 - 3 - HB2 GLU 94 - HA MET 11 lone 3 96 - 3 - HB2 LEU 41 - HA GLN 105 lone 3 54 - 5 - 7781/2.9=2 HB2 GLU 94 - HA GLN 105 lone 2 48 - 5 - HG LEU 114 - HA GLN 105 lone 2 53 - 4 - HB2 ARG 71 - HA MET 11 lone 2 96 - 2 - HG2 PRO 60 - HA GLN 105 lone 1 52 - 3 - HB2 LYS 46 - HA GLN 105 lone 1 48 - 2 - HB2 ARG 71 - HA GLN 105 lone 1 48 - 2 - HB3 PRO 68 - HA GLN 105 lone 1 54 - 2 - HB ILE 124 - HA GLN 105 lone 1 54 - 2 - HG2 PRO 68 - HA GLN 105 lone 1 53 - 2 - HB2 LEU 55 - HA GLN 105 lone 1 45 - 2 - HG LEU 45 - HA GLN 105 lone 1 46 - 1 - Peak 1841 from cnoeabs.peaks (1.92, 4.37, 55.90 ppm; 3.61 A): 1 out of 32 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB2 LEU 21 - HA MET 11 OK 25 97 - 26 - 2105/2.9=5, ~2112=4...(11) HB3 MET 11 - HA GLN 105 poor 9 55 - 17 - 1851=4, 1.8/1845=2...(6) HB3 GLU 69 - HA GLN 105 poor 7 29 - 23 - 1.8/4779=4, 3773/3.0=2...(12) HG LEU 58 - HA MET 11 lone 6 90 - 7 - 12/3.6=2 HB ILE 80 - HA MET 11 lone 4 99 - 4 - HB ILE 22 - HA MET 11 lone 4 99 - 4 - HB2 LEU 84 - HA MET 11 lone 3 95 - 4 - HB2 ARG 81 - HA MET 11 lone 3 99 - 3 - HB3 LYS 119 - HA MET 11 lone 3 65 - 5 - 12/3.6=1 HB2 LYS 109 - HA MET 11 lone 2 81 - 3 - HB2 LEU 21 - HA GLN 105 lone 2 50 - 4 - HB2 GLU 28 - HA MET 11 lone 2 96 - 2 - HB2 GLU 38 - HA GLN 105 lone 2 32 - 6 - HB3 GLU 73 - HA MET 11 lone 2 100 - 2 - HB ILE 22 - HA GLN 105 lone 2 52 - 3 - HB3 GLU 64 - HA MET 11 lone 2 85 - 2 - HG LEU 84 - HA MET 11 lone 2 63 - 3 - HB2 GLU 64 - HA MET 11 lone 1 81 - 2 - HB3 GLU 69 - HA MET 11 lone 1 65 - 2 - HB ILE 80 - HA GLN 105 lone 1 53 - 2 - HB2 ARG 81 - HA GLN 105 lone 1 52 - 2 - HB2 GLU 38 - HA MET 11 lone 1 71 - 2 - HB3 GLU 73 - HA GLN 105 lone 1 53 - 2 - HB3 LYS 119 - HA GLN 105 lone 1 29 - 3 - HG LEU 58 - HA GLN 105 lone 1 44 - 2 - HB2 GLU 28 - HA GLN 105 lone 1 48 - 1 - HB3 GLU 64 - HA GLN 105 lone 1 40 - 1 - HB2 LYS 109 - HA GLN 105 lone 1 37 - 2 - HB2 GLU 64 - HA GLN 105 lone 1 37 - 1 - HB2 LEU 84 - HA GLN 105 lone 0 47 - 1 - HG LEU 84 - HA GLN 105 lone 0 28 - 1 - Peak 1842 from cnoeabs.peaks (2.38, 4.37, 55.90 ppm; 3.69 A): 3 out of 14 assignments used, quality = 0.93: * HG2 MET 11 + HA MET 11 OK 88 100 - 88 - 4.0=80, 1.8/1843=28, 5.0/5431=12 HB2 GLN 103 + HA MET 11 OK 35 99 - 36 - 1.8/1840=6, 6188=4...(15) HB VAL 18 + HA MET 11 OK 10 83 - 12 - ~5973=2, 1854/3.0=1...(6) HB2 GLN 103 - HA GLN 105 poor 9 53 - 18 - ~7781=6, ~7766=5...(5) HG3 GLN 16 - HA GLN 105 poor 9 40 - 23 - 1970/4.1=3, 1970/4.1=2...(7) HG2 MET 11 - HA GLN 105 poor 7 55 - 13 - 1.8/1863=2, 3.0/1851=2...(5) HG2 PRO 70 - HA MET 11 poor 6 60 - 10 - 2.3/8319=2, 2.3/8320=2, 13/3.6=1 HG2 PRO 70 - HA GLN 105 poor 6 26 - 23 - 2.3/8320=7, 2.3/8319=4...(7) HG2 GLU 15 - HA MET 11 lone 5 97 - 5 - 13/3.6=2 HG3 GLN 16 - HA MET 11 lone 3 85 - 3 - HG2 GLU 15 - HA GLN 105 lone 2 50 - 3 - HB3 ASN 118 - HA MET 11 lone 2 71 - 2 - HB VAL 18 - HA GLN 105 lone 1 39 - 2 - HB3 ASN 118 - HA GLN 105 lone 0 32 - 1 - Peak 1843 from cnoeabs.peaks (2.43, 4.37, 55.90 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.97: * HG3 MET 11 + HA MET 11 OK 97 100 - 97 - 4.0=95, 1.8/1842=19, 5.0/5431=14 HB2 CYS 52 - HA MET 11 OK 12 85 - 14 - 1855/3.0=3, 1849/3.0=3...(6) HG3 MET 11 - HA GLN 105 poor 8 55 - 14 - 1863=3, 3.0/1851=3...(5) HB2 CYS 52 - HA GLN 105 lone 1 40 - 2 - Peak 1845 from cnoeabs.peaks (4.37, 1.98, 33.25 ppm; 3.93 A): 1 out of 16 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HA ASP 100 - HB2 MET 11 OK 38 92 - 41 - 1851/1.8=7, 4632/4.1=5...(14) HA MET 11 - HB2 LYS 46 OK 23 95 - 24 - 1840=4, 4.0/1849=4...(9) HA GLN 105 - HB2 MET 11 OK 18 95 - 19 - 2.9/7781=4, 1851/1.8=3...(6) HB THR 116 - HB2 MET 11 OK 15 100 - 15 - 1851/1.8=3, 5903/4.2=2...(6) HA CYS 76 - HB2 MET 11 lone 6 98 - 6 - 1851/1.8=1 HA LEU 93 - HB2 MET 11 lone 6 90 - 6 - 7598=1 HA LEU 93 - HB2 LYS 46 lone 5 82 - 6 - HA PHE 40 - HB2 LYS 46 lone 5 55 - 8 - 3.6/944=3, 6019/2.9=1 HB THR 116 - HB2 LYS 46 lone 4 94 - 4 - HA ASP 100 - HB2 LYS 46 lone 3 84 - 4 - HA CYS 76 - HB2 LYS 46 lone 3 91 - 4 - HA PHE 40 - HB2 MET 11 lone 3 63 - 5 - HA SER 35 - HB2 MET 11 lone 3 97 - 3 - HA GLN 105 - HB2 LYS 46 lone 3 87 - 3 - 2.9/7781=1 HA SER 35 - HB2 LYS 46 lone 1 90 - 1 - Peak 1846 from cnoeabs.peaks (1.98, 1.98, 33.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 HB2 LYS 46 + HB2 LYS 46 OK 88 88 - 100 Peak 1847 from cnoeabs.peaks (1.92, 1.98, 33.25 ppm; 2.69 A): 1 out of 32 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 1.8=100 HB2 LYS 109 - HB2 LYS 46 OK 21 72 - 29 - 4895/3.5=2, 4896/1.8=2...(14) HB3 MET 11 - HB2 LYS 46 OK 13 95 - 14 - 1852=4, 3.0/1849=2, 3.0/1840=1 HB3 LYS 119 - HB2 LYS 46 OK 11 58 - 19 - ~5205=1, 5215/2.9=1...(5) HB ILE 80 - HB2 LYS 46 lone 9 93 - 10 - ~8585=2, 4070/3.0=2, 3.0/2930=1 HB2 LEU 21 - HB2 MET 11 lone 8 97 - 9 - 2105/4.1=2, 1841/3.0=2 HG LEU 58 - HB2 MET 11 lone 4 90 - 4 - HG LEU 58 - HB2 LYS 46 lone 3 82 - 4 - HB2 LEU 84 - HB2 LYS 46 lone 3 87 - 3 - HB2 LEU 21 - HB2 LYS 46 lone 2 90 - 3 - HB ILE 80 - HB2 MET 11 lone 2 99 - 2 - HB ILE 22 - HB2 MET 11 lone 2 99 - 2 - HB2 LEU 84 - HB2 MET 11 lone 2 95 - 2 - HB2 ARG 81 - HB2 MET 11 lone 2 99 - 2 - HB3 LYS 119 - HB2 MET 11 lone 2 65 - 2 - HB2 LYS 109 - HB2 MET 11 lone 1 81 - 2 - HG LEU 84 - HB2 LYS 46 lone 1 55 - 2 - HB2 GLU 28 - HB2 MET 11 lone 1 96 - 1 - HB ILE 22 - HB2 LYS 46 lone 1 93 - 1 - HB3 GLU 73 - HB2 MET 11 lone 1 100 - 1 - HB3 GLU 64 - HB2 MET 11 lone 1 85 - 1 - HB2 ARG 81 - HB2 LYS 46 lone 1 92 - 1 - HB2 GLU 64 - HB2 MET 11 lone 1 81 - 1 - HG LEU 84 - HB2 MET 11 lone 1 63 - 1 - HB3 GLU 69 - HB2 MET 11 lone 1 65 - 1 - HB3 GLU 69 - HB2 LYS 46 lone 1 58 - 1 - HB2 GLU 38 - HB2 LYS 46 lone 1 63 - 1 - HB3 GLU 73 - HB2 LYS 46 lone 1 94 - 1 - HB2 GLU 38 - HB2 MET 11 lone 1 71 - 1 - HB2 GLU 28 - HB2 LYS 46 lone 0 88 - 1 - HB3 GLU 64 - HB2 LYS 46 lone 0 76 - 1 - HB2 GLU 64 - HB2 LYS 46 lone 0 72 - 1 - Peak 1848 from cnoeabs.peaks (2.38, 1.98, 33.25 ppm; 4.64 A): 3 out of 14 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HB2 GLN 103 + HB2 LYS 46 OK 68 93 - 73 - 4728/4.7=10, 3.0/4743=9...(26) HB2 GLN 103 + HB2 MET 11 OK 65 99 - 66 - 1854/1.8=8, 1842/3.0=8...(21) HG2 MET 11 - HB2 LYS 46 OK 31 95 - 33 - 1.8/1849=7, 1858=4...(10) HB VAL 18 - HB2 MET 11 OK 20 83 - 24 - 1854/1.8=3, 2.1/8401=3...(11) HB VAL 18 - HB2 LYS 46 OK 14 74 - 18 - ~8391=5, 2.1/8401=2...(8) HG2 PRO 70 - HB2 MET 11 poor 9 60 - 15 - ~8319=2, ~8320=2...(5) HG2 GLU 15 - HB2 MET 11 lone 9 97 - 9 - 13/4.2=2, 1854/1.8=1, 1842/3.0=1 HG3 GLN 16 - HB2 MET 11 lone 7 85 - 8 - 1854/1.8=1 HG2 PRO 70 - HB2 LYS 46 poor 7 53 - 13 - 2.3/2930=1 HG2 GLU 15 - HB2 LYS 46 lone 6 90 - 6 - 6318/3.5=1 HB3 ASN 118 - HB2 LYS 46 lone 3 63 - 5 - ~6245=1, 6247/3.0=1 HB3 ASN 118 - HB2 MET 11 lone 3 71 - 4 - 13/4.2=1 HG3 GLN 16 - HB2 LYS 46 lone 2 76 - 2 - Peak 1849 from cnoeabs.peaks (2.43, 1.98, 33.25 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HG3 MET 11 - HB2 LYS 46 OK 27 95 - 29 - 1864=6, 3.0/1852=4...(10) HB2 CYS 52 - HB2 MET 11 OK 20 85 - 23 - 1855/1.8=6, 1843/3.0=4...(8) HB2 CYS 52 - HB2 LYS 46 lone 3 76 - 4 - Peak 1851 from cnoeabs.peaks (4.37, 1.92, 33.25 ppm; 3.92 A): 1 out of 8 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HA ASP 100 - HB3 MET 11 OK 36 92 - 40 - 1845/1.8=6, 2.9/8595=5...(13) HA GLN 105 - HB3 MET 11 OK 17 95 - 18 - 1845/1.8=3, ~7781=3...(6) HB THR 116 - HB3 MET 11 OK 16 100 - 15 - 1845/1.8=2, 2.1/7990=2...(7) HA CYS 76 - HB3 MET 11 lone 6 98 - 6 - 1845/1.8=1 HA LEU 93 - HB3 MET 11 lone 5 90 - 5 - HA SER 35 - HB3 MET 11 lone 3 97 - 3 - HA PHE 40 - HB3 MET 11 lone 3 63 - 4 - Peak 1852 from cnoeabs.peaks (1.98, 1.92, 33.25 ppm; 2.68 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 1.8=100 HB3 GLN 103 - HB3 MET 11 OK 25 100 - 26 - 4734/3.0=4, 1864/3.0=3...(14) HB2 LYS 46 - HB3 MET 11 OK 13 96 - 14 - 1847=3, 1849/3.0=2, 1840/3.0=1 HB3 PRO 68 - HB3 MET 11 lone 3 100 - 2 - HG2 PRO 60 - HB3 MET 11 lone 2 99 - 2 - HB2 LEU 41 - HB3 MET 11 lone 2 100 - 2 - HG2 PRO 68 - HB3 MET 11 lone 2 99 - 2 - HB ILE 124 - HB3 MET 11 lone 2 100 - 2 - HG LEU 114 - HB3 MET 11 lone 2 99 - 2 - HB2 LEU 55 - HB3 MET 11 lone 2 92 - 2 - HG LEU 45 - HB3 MET 11 lone 1 93 - 2 - HB2 GLU 94 - HB3 MET 11 lone 1 96 - 1 - HB2 ARG 71 - HB3 MET 11 lone 1 96 - 1 - Peak 1853 from cnoeabs.peaks (1.92, 1.92, 33.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 1854 from cnoeabs.peaks (2.38, 1.92, 33.25 ppm; 5.61 A): 2 out of 7 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB2 GLN 103 + HB3 MET 11 OK 70 99 - 71 - 6188/3.0=9, ~4734=9...(18) HB VAL 18 - HB3 MET 11 OK 25 83 - 29 - 3.0/5974=3, ~8401=3...(15) HG2 PRO 70 - HB3 MET 11 OK 11 60 - 19 - ~8319=3, ~8320=3...(7) HG2 GLU 15 - HB3 MET 11 OK 11 97 - 11 - 13/4.2=3, 1848/1.8=1...(4) HG3 GLN 16 - HB3 MET 11 poor 9 85 - 10 - 1848/1.8=1, 13/4.2=1, ~732=1 HB3 ASN 118 - HB3 MET 11 lone 4 71 - 6 - 13/4.2=1 Peak 1855 from cnoeabs.peaks (2.43, 1.92, 33.25 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB2 CYS 52 - HB3 MET 11 OK 23 85 - 27 - 1849/1.8=6, 1843/3.0=5...(8) Peak 1857 from cnoeabs.peaks (4.37, 2.38, 31.86 ppm; 4.38 A): 1 out of 16 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 - 100 - 4.0=100 HA ASP 100 - HG2 MET 11 OK 38 92 - 41 - 1863/1.8=8, 1851/3.0=7...(11) HA GLN 105 - HG2 MET 11 OK 16 95 - 17 - 1863/1.8=3, 1851/3.0=3...(7) HB THR 116 - HG2 MET 11 OK 14 100 - 14 - 1851/3.0=3, 1863/1.8=3...(5) HA MET 11 - HB VAL 18 OK 10 58 - 18 - 1842=3, ~5973=2...(10) HB THR 116 - HB VAL 18 poor 8 57 - 15 - 5122/4.5=5, ~6372=2...(6) HA CYS 76 - HG2 MET 11 lone 5 98 - 6 - 1863/1.8=1, 1851/3.0=1 HA LEU 93 - HG2 MET 11 lone 4 90 - 5 - HA LEU 93 - HB VAL 18 lone 4 47 - 9 - ~6349=1, ~7595=1, ~6351=1 HA ASP 100 - HB VAL 18 lone 3 48 - 7 - ~5973=2, ~8416=1 HA PHE 40 - HB VAL 18 poor 3 30 - 11 - ~8405=5, 8393/2.1=3, 44/4.0=2 HA SER 35 - HG2 MET 11 lone 3 97 - 3 - HA PHE 40 - HG2 MET 11 lone 3 63 - 4 - HA CYS 76 - HB VAL 18 lone 2 55 - 4 - HA GLN 105 - HB VAL 18 lone 2 51 - 3 - HA SER 35 - HB VAL 18 lone 1 54 - 2 - Peak 1858 from cnoeabs.peaks (1.98, 2.38, 31.86 ppm; 4.22 A): 2 out of 26 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 GLN 103 + HG2 MET 11 OK 63 100 - 64 - 4734=11, 1864/1.8=9...(22) HB2 LEU 41 - HB VAL 18 OK 40 58 - 69 - ~8391=13, 8401/2.1=11...(18) HB2 LYS 46 - HG2 MET 11 OK 27 96 - 28 - 1849/1.8=6, 1852/3.0=4...(9) HB2 MET 11 - HB VAL 18 OK 12 58 - 21 - 8401/2.1=2, 1.8/1854=2...(9) HB3 GLN 103 - HB VAL 18 OK 11 58 - 19 - 4734=3, 3.0/4718=2...(10) HG LEU 45 - HB VAL 18 poor 9 50 - 18 - ~6369=4, 8401/2.1=4...(7) HB2 LYS 46 - HB VAL 18 poor 8 52 - 15 - ~8391=4, 8401/2.1=2...(6) HB3 PRO 68 - HG2 MET 11 lone 6 100 - 6 - 1864/1.8=1 HB2 LEU 41 - HG2 MET 11 lone 6 100 - 6 - 1864/1.8=1 HB ILE 124 - HB VAL 18 poor 6 58 - 10 - 8401/2.1=2, ~8392=1 HG2 PRO 60 - HG2 MET 11 lone 6 99 - 6 - HG2 PRO 68 - HG2 MET 11 lone 6 99 - 6 - HG LEU 114 - HG2 MET 11 lone 6 99 - 6 - HB ILE 124 - HG2 MET 11 lone 5 100 - 5 - HB2 LEU 55 - HG2 MET 11 lone 4 92 - 4 - HG LEU 45 - HG2 MET 11 lone 4 93 - 4 - HB2 GLU 94 - HG2 MET 11 lone 4 96 - 4 - HG2 PRO 60 - HB VAL 18 lone 4 56 - 7 - ~8400=1, 8401/2.1=1 HB2 LEU 55 - HB VAL 18 lone 3 48 - 7 - 8401/2.1=1 HB3 PRO 68 - HB VAL 18 lone 3 58 - 5 - ~7225=2 HB2 ARG 71 - HG2 MET 11 lone 3 96 - 3 - HG2 PRO 68 - HB VAL 18 lone 2 57 - 3 - HG LEU 114 - HB VAL 18 lone 2 57 - 3 - HB2 GLU 94 - HB VAL 18 lone 1 52 - 3 - HB2 ARG 71 - HB VAL 18 lone 1 52 - 1 - Peak 1859 from cnoeabs.peaks (1.92, 2.38, 31.86 ppm; 4.60 A): 1 out of 32 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB2 LEU 21 - HB VAL 18 OK 28 54 - 52 - 5975/3.0=10, ~5977=9...(12) HB2 LEU 21 - HG2 MET 11 OK 21 97 - 22 - 2105/5.1=5, 1865/1.8=4...(6) HG LEU 58 - HB VAL 18 OK 16 47 - 34 - ~2000=5, 2.1/2003=4...(14) HB ILE 22 - HB VAL 18 OK 15 56 - 27 - ~6440=6, ~6443=4...(8) HB3 MET 11 - HB VAL 18 OK 14 58 - 24 - 1854=3, 1.8/1848=2...(11) HB2 LEU 84 - HB VAL 18 OK 12 51 - 23 - ~6357=4, ~7485=3...(9) HG LEU 58 - HG2 MET 11 poor 10 90 - 11 - 12/5.0=2, 1865/1.8=2, 1841/4.0=1 HB3 GLU 69 - HB VAL 18 poor 7 31 - 24 - 5974/3.0=3, ~8400=3...(11) HB ILE 80 - HG2 MET 11 lone 6 99 - 6 - 1865/1.8=1 HB ILE 22 - HG2 MET 11 lone 6 99 - 6 - 1865/1.8=1 HB2 LEU 84 - HG2 MET 11 lone 6 95 - 6 - 1865/1.8=1 HG LEU 84 - HB VAL 18 poor 5 30 - 17 - ~7486=3, ~6357=3...(9) HB2 GLU 28 - HB VAL 18 lone 5 52 - 10 - ~8392=2, 5506/4.0=2...(4) HB2 ARG 81 - HG2 MET 11 lone 5 99 - 5 - HB3 LYS 119 - HG2 MET 11 lone 4 65 - 7 - 12/5.0=2 HB ILE 80 - HB VAL 18 lone 4 57 - 7 - ~8391=2 HB2 LYS 109 - HG2 MET 11 lone 4 81 - 5 - HB2 GLU 28 - HG2 MET 11 lone 3 96 - 3 - HB3 GLU 73 - HG2 MET 11 lone 3 100 - 3 - HB3 GLU 64 - HG2 MET 11 lone 3 85 - 4 - HB3 GLU 64 - HB VAL 18 lone 3 43 - 7 - 4.6/7164=1 HB3 LYS 119 - HB VAL 18 lone 3 31 - 9 - 4.0/606=2, ~6361=1 HB2 GLU 64 - HG2 MET 11 lone 3 81 - 4 - HB2 GLU 64 - HB VAL 18 lone 3 40 - 7 - 4.6/7164=1 HG LEU 84 - HG2 MET 11 lone 3 63 - 4 - HB2 ARG 81 - HB VAL 18 lone 3 55 - 5 - HB3 GLU 69 - HG2 MET 11 lone 2 65 - 3 - HB3 GLU 73 - HB VAL 18 lone 2 57 - 3 - HB2 GLU 38 - HG2 MET 11 lone 2 71 - 2 - HB2 LYS 109 - HB VAL 18 lone 1 40 - 4 - HB2 GLU 38 - HB VAL 18 lone 1 34 - 4 - Peak 1860 from cnoeabs.peaks (2.38, 2.38, 31.86 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 HB VAL 18 - HB VAL 18 OK 42 42 - 100 Peak 1861 from cnoeabs.peaks (2.43, 2.38, 31.86 ppm; 2.61 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 1.8=100 HB2 CYS 52 - HG2 MET 11 lone 6 85 - 6 - 1849/3.0=1, 1855/3.0=1 HG3 MET 11 - HB VAL 18 lone 5 58 - 8 - 1866=2 HB2 CYS 52 - HB VAL 18 lone 0 43 - 0 - Peak 1863 from cnoeabs.peaks (4.37, 2.43, 31.86 ppm; 4.35 A): 1 out of 8 assignments used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 - 100 - 4.0=100 HA ASP 100 - HG3 MET 11 OK 37 92 - 40 - 1851/3.0=7, 1857/1.8=7...(11) HA GLN 105 - HG3 MET 11 OK 16 95 - 17 - 1843=3, 1851/3.0=3...(6) HB THR 116 - HG3 MET 11 OK 13 100 - 13 - 1851/3.0=3, 1857/1.8=3...(5) HA CYS 76 - HG3 MET 11 lone 5 98 - 5 - 1851/3.0=1 HA LEU 93 - HG3 MET 11 lone 4 90 - 5 - HA SER 35 - HG3 MET 11 lone 3 97 - 3 - HA PHE 40 - HG3 MET 11 lone 2 63 - 4 - Peak 1864 from cnoeabs.peaks (1.98, 2.43, 31.86 ppm; 4.07 A): 2 out of 13 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.0=100 HB3 GLN 103 + HG3 MET 11 OK 49 100 - 49 - 4734/1.8=11, 1.8/1866=7...(17) HB2 LYS 46 - HG3 MET 11 OK 24 96 - 25 - 1849=6, 1852/3.0=3...(9) HB3 PRO 68 - HG3 MET 11 lone 5 100 - 5 - HB2 LEU 41 - HG3 MET 11 lone 5 100 - 5 - HG2 PRO 60 - HG3 MET 11 lone 5 99 - 5 - HG2 PRO 68 - HG3 MET 11 lone 5 99 - 5 - HB ILE 124 - HG3 MET 11 lone 5 100 - 5 - HG LEU 114 - HG3 MET 11 lone 4 99 - 4 - HB2 LEU 55 - HG3 MET 11 lone 4 92 - 4 - HG LEU 45 - HG3 MET 11 lone 3 93 - 3 - HB2 GLU 94 - HG3 MET 11 lone 3 96 - 3 - HB2 ARG 71 - HG3 MET 11 lone 2 96 - 2 - Peak 1865 from cnoeabs.peaks (1.92, 2.43, 31.86 ppm; 4.52 A): 1 out of 16 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.0=100 HB2 LEU 21 - HG3 MET 11 OK 19 97 - 20 - 2105/5.1=5, 1841/4.0=4...(6) HG LEU 58 - HG3 MET 11 lone 9 90 - 10 - 12/5.0=2, 1859/1.8=1, 1841/4.0=1 HB ILE 80 - HG3 MET 11 lone 6 99 - 6 - HB ILE 22 - HG3 MET 11 lone 6 99 - 6 - HB2 LEU 84 - HG3 MET 11 lone 5 95 - 5 - HB2 ARG 81 - HG3 MET 11 lone 4 99 - 4 - HB3 LYS 119 - HG3 MET 11 lone 4 65 - 6 - 12/5.0=2 HB2 LYS 109 - HG3 MET 11 lone 3 81 - 4 - HB3 GLU 73 - HG3 MET 11 lone 3 100 - 3 - HB2 GLU 28 - HG3 MET 11 lone 3 96 - 3 - HB3 GLU 64 - HG3 MET 11 lone 3 85 - 3 - HB2 GLU 64 - HG3 MET 11 lone 2 81 - 3 - HG LEU 84 - HG3 MET 11 lone 2 63 - 4 - HB3 GLU 69 - HG3 MET 11 lone 2 65 - 3 - HB2 GLU 38 - HG3 MET 11 lone 1 71 - 2 - Peak 1866 from cnoeabs.peaks (2.38, 2.43, 31.86 ppm; 2.48 A): 1 out of 7 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 1.8=100 HB2 GLN 103 - HG3 MET 11 OK 18 99 - 18 - ~4734=3, 1.8/1864=3...(10) HB VAL 18 - HG3 MET 11 lone 6 83 - 7 - 1861=2 HG2 GLU 15 - HG3 MET 11 lone 2 97 - 2 - HG3 GLN 16 - HG3 MET 11 lone 2 85 - 2 - HG2 PRO 70 - HG3 MET 11 lone 1 60 - 2 - HB3 ASN 118 - HG3 MET 11 lone 1 71 - 1 - Peak 1867 from cnoeabs.peaks (2.43, 2.43, 31.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 1869 from cnoeabs.peaks (4.75, 4.75, 53.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 12 + HA ASN 12 OK 100 100 - 100 Peak 1870 from cnoeabs.peaks (2.98, 4.75, 53.09 ppm; 5.23 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 12 + HA ASN 12 OK 100 100 - 100 - 3.0=100 HA VAL 110 - HA ASN 12 OK 35 100 - 35 - 655/4.5=6, 649/4.5=5...(10) HB3 TYR 102 - HA ASN 12 OK 21 93 - 23 - 655/4.5=4, 17/3.6=4...(9) HE2 LYS 31 - HA ASN 12 OK 18 95 - 18 - 17/3.6=4, 793/2.9=3...(7) HE3 LYS 31 - HA ASN 12 OK 18 95 - 18 - 17/3.6=4, 793/2.9=3...(7) Peak 1871 from cnoeabs.peaks (2.88, 4.75, 53.09 ppm; 5.07 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 12 + HA ASN 12 OK 100 100 - 100 - 3.0=100 HB2 ASP 100 - HA ASN 12 OK 33 97 - 34 - ~7690=6, 794/2.9=6...(10) HB2 PHE 40 - HA ASN 12 OK 22 97 - 23 - 18/3.6=4, 1877/3.0=3...(9) HE2 LYS 119 - HA ASN 12 OK 15 81 - 19 - 794/2.9=4, 650/4.5=3...(8) HE3 LYS 119 - HA ASN 12 OK 15 78 - 19 - 794/2.9=3, 650/4.5=3...(8) HB2 ASN 106 - HA ASN 12 OK 13 87 - 15 - 4813/4.5=3, 794/2.9=2...(8) Peak 1874 from cnoeabs.peaks (8.67, 2.98, 38.58 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 12 + HB2 ASN 12 OK 100 100 - 100 - 4.0=100 H VAL 120 - HB2 ASN 12 lone 8 85 - 10 - 1880/1.8=3, 4.6/1878=2...(4) H LEU 59 - HB2 ASN 12 lone 8 100 - 8 - 1880/1.8=2, 7081/3.5=2, 15/4.6=1 H LEU 117 - HB2 ASN 12 lone 7 98 - 7 - 1880/1.8=3, 1782/3.5=1, 15/4.6=1 Peak 1875 from cnoeabs.peaks (4.75, 2.98, 38.58 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 12 + HB2 ASN 12 OK 100 100 - 100 - 3.0=100 HA SER 72 - HB2 ASN 12 lone 2 60 - 3 - Peak 1876 from cnoeabs.peaks (2.98, 2.98, 38.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 12 + HB2 ASN 12 OK 100 100 - 100 Peak 1877 from cnoeabs.peaks (2.88, 2.98, 38.58 ppm; 2.70 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 12 + HB2 ASN 12 OK 100 100 - 100 - 1.8=100 HB2 ASP 100 - HB2 ASN 12 OK 11 97 - 11 - 656/3.5=2, 4.3/1879=2...(6) HB2 PHE 40 - HB2 ASN 12 lone 8 97 - 8 - HE2 LYS 119 - HB2 ASN 12 lone 5 81 - 6 - HB2 ASN 106 - HB2 ASN 12 lone 5 87 - 5 - 4813/3.5=1 HE3 LYS 119 - HB2 ASN 12 lone 5 78 - 6 - Peak 1878 from cnoeabs.peaks (7.62, 2.98, 38.58 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 12 + HB2 ASN 12 OK 100 100 - 100 - 3.5=100 H LYS 119 - HB2 ASN 12 poor 9 83 - 11 - 1884/1.8=3, 1789/4.0=2...(4) H GLU 56 - HB2 ASN 12 lone 6 100 - 6 - 1884/1.8=3, 657/3.5=1 H ARG 57 - HB2 ASN 12 lone 5 76 - 6 - 3.7/6284=2, 1884/1.8=2 Peak 1879 from cnoeabs.peaks (6.96, 2.98, 38.58 ppm; 4.38 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 12 + HB2 ASN 12 OK 100 100 - 100 - 3.5=100 H LEU 101 - HB2 ASN 12 OK 28 95 - 30 - 1885/1.8=9, 4.0/6284=7...(8) HD22 ASN 106 - HB2 ASN 12 lone 8 87 - 9 - 1885/1.8=3, ~685=2, 3.5/1877=1 HD22 ASN 108 - HB2 ASN 12 lone 6 90 - 6 - 1885/1.8=2 QE PHE 107 - HB2 ASN 12 lone 5 57 - 9 - 4799/4986=1, 1885/1.8=1 Peak 1880 from cnoeabs.peaks (8.67, 2.88, 38.58 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 12 + HB3 ASN 12 OK 100 100 - 100 - 4.0=100 H VAL 120 - HB3 ASN 12 poor 10 85 - 11 - 1874/1.8=3, 4.6/1884=2...(5) H LEU 117 - HB3 ASN 12 lone 9 98 - 9 - 1874/1.8=2, 4.0/8176=1...(4) H LEU 59 - HB3 ASN 12 lone 8 100 - 8 - 1874/1.8=3, 7081/3.5=2, 15/4.6=1 Peak 1881 from cnoeabs.peaks (4.75, 2.88, 38.58 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 12 + HB3 ASN 12 OK 100 100 - 100 - 3.0=100 HA SER 72 - HB3 ASN 12 lone 2 60 - 3 - Peak 1882 from cnoeabs.peaks (2.98, 2.88, 38.58 ppm; 2.72 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 12 + HB3 ASN 12 OK 100 100 - 100 - 1.8=100 HA VAL 110 - HB3 ASN 12 OK 13 100 - 13 - 3.2/7870=2, 655/3.5=2...(6) HB3 TYR 102 - HB3 ASN 12 lone 8 93 - 8 - 655/3.5=1 HE2 LYS 31 - HB3 ASN 12 lone 5 95 - 6 - HE3 LYS 31 - HB3 ASN 12 lone 5 95 - 6 - Peak 1883 from cnoeabs.peaks (2.88, 2.88, 38.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 12 + HB3 ASN 12 OK 100 100 - 100 Peak 1884 from cnoeabs.peaks (7.62, 2.88, 38.58 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 12 + HB3 ASN 12 OK 100 100 - 100 - 3.5=100 H LYS 119 - HB3 ASN 12 poor 9 83 - 11 - 1878/1.8=3, 1789/4.0=2...(4) H GLU 56 - HB3 ASN 12 lone 9 100 - 9 - 4.9/8176=3, 1878/1.8=2 H ARG 57 - HB3 ASN 12 lone 5 76 - 7 - 1878/1.8=2, 3.7/6285=1 Peak 1885 from cnoeabs.peaks (6.96, 2.88, 38.58 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 12 + HB3 ASN 12 OK 100 100 - 100 - 3.5=100 H LEU 101 - HB3 ASN 12 OK 35 95 - 37 - 497=8, 1879/1.8=7...(12) HD22 ASN 106 - HB3 ASN 12 OK 11 87 - 12 - 691=2, 1.7/685=2...(5) HD22 ASN 108 - HB3 ASN 12 lone 6 90 - 7 - 1879/1.8=2, 1723/8419=1 QE PHE 107 - HB3 ASN 12 lone 5 57 - 9 - 4799/7870=1, 1879/1.8=1 Peak 1886 from cnoeabs.peaks (8.50, 4.21, 60.93 ppm; 4.14 A): 1 out of 18 assignments used, quality = 1.00: * H SER 13 + HA SER 13 OK 100 100 - 100 - 2.9=100 H GLU 28 - HA VAL 26 OK 39 99 - 40 - 98/3.6=14, 3.6/6523=8...(7) H SER 13 - HA VAL 26 OK 27 99 - 27 - 798=7, 4.0/1895=3...(12) H GLU 28 - HA SER 13 OK 18 100 - 18 - 4.6/5495=3, 3.6/6523=3...(9) H GLU 38 - HA SER 13 OK 17 83 - 20 - 21/3.6=5, 151/4.9=3...(8) H GLU 38 - HA VAL 26 OK 15 81 - 18 - 3.9/2244=3, 148/3.0=3...(6) H LEU 84 - HA SER 13 lone 9 100 - 9 - 21/3.6=2, 1687/4.9=2 H LEU 77 - HA VAL 26 lone 8 97 - 8 - 1442/3.6=2 H PHE 40 - HA VAL 26 lone 7 94 - 8 - 1442/3.6=3 H LEU 77 - HA SER 13 lone 7 98 - 7 - 1653/3.0=1, 21/3.6=1 H PHE 40 - HA SER 13 lone 7 96 - 7 - 1579/3.0=2, 21/3.6=1 H LEU 84 - HA VAL 26 lone 7 99 - 7 - 1442/3.6=2 H TYR 102 - HA VAL 26 lone 6 76 - 8 - 1442/3.6=2, 4.6/5947=1 H LYS 31 - HA SER 13 lone 5 100 - 5 - ~2395=1 H LYS 31 - HA VAL 26 lone 4 99 - 4 - 1442/3.6=1 H TYR 102 - HA SER 13 lone 4 78 - 5 - H GLY 2 - HA VAL 26 lone 1 93 - 2 - H GLY 2 - HA SER 13 lone 1 95 - 1 - Peak 1887 from cnoeabs.peaks (4.21, 4.21, 60.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 13 + HA SER 13 OK 100 100 - 100 HA VAL 26 + HA VAL 26 OK 99 99 - 100 Peak 1888 from cnoeabs.peaks (3.87, 4.21, 60.93 ppm; 3.51 A): 1 out of 24 assignments used, quality = 1.00: * HB2 SER 13 + HA SER 13 OK 100 100 - 100 - 3.0=100 HA ARG 53 - HA VAL 26 OK 41 87 - 47 - 5.3/8690=6, 6505/3.2=5...(16) HB2 SER 13 - HA VAL 26 OK 23 99 - 23 - 1891=4, 1.8/1895=4...(7) HB2 SER 35 - HA SER 13 OK 16 93 - 17 - 1.8/1895=3, 1891=3...(7) HA GLU 15 - HA SER 13 OK 13 81 - 17 - 3.6/5944=6, 23/3.6=4...(5) HA ARG 53 - HA SER 13 OK 11 89 - 12 - 5.3/8690=2, 3.0/8691=2...(6) HB3 ASN 79 - HA VAL 26 lone 9 93 - 10 - 6505/3.2=1, 3.5/7388=1...(4) HA GLU 15 - HA VAL 26 lone 7 79 - 9 - 3.6/5944=5 HA THR 33 - HA VAL 26 lone 6 96 - 6 - 1891=1 HA THR 33 - HA SER 13 lone 5 97 - 5 - HB THR 95 - HA VAL 26 lone 5 83 - 6 - 7618/3.0=1 HB THR 33 - HA SER 13 lone 4 98 - 4 - HB3 ASN 79 - HA SER 13 lone 4 95 - 4 - HA THR 19 - HA SER 13 lone 4 63 - 6 - 3.0/5949=1, 23/3.6=1 HA THR 19 - HA VAL 26 lone 3 61 - 5 - HB THR 33 - HA VAL 26 lone 3 97 - 3 - HB2 SER 35 - HA VAL 26 lone 3 92 - 3 - HB3 SER 112 - HA VAL 26 lone 2 81 - 3 - HB2 SER 112 - HA VAL 26 lone 2 76 - 3 - HB3 SER 112 - HA SER 13 lone 2 83 - 2 - HA3 GLY 104 - HA SER 13 lone 2 92 - 2 - HB2 SER 112 - HA SER 13 lone 2 78 - 2 - HB THR 95 - HA SER 13 lone 1 85 - 2 - HA3 GLY 104 - HA VAL 26 lone 1 90 - 1 - Peak 1889 from cnoeabs.peaks (3.76, 4.21, 60.93 ppm; 3.37 A): 1 out of 20 assignments used, quality = 1.00: * HB3 SER 13 + HA SER 13 OK 100 100 - 100 - 3.0=100 HA LEU 54 - HA VAL 26 OK 43 87 - 50 - 6995/3.2=10, 6995/3.2=9...(17) HB3 SER 13 - HA VAL 26 OK 22 99 - 22 - 1895=5, 1.8/1891=3...(7) HA GLU 38 - HA VAL 26 OK 16 98 - 16 - 6722/3.6=3, 6506/3.2=2...(5) HA GLU 38 - HA SER 13 OK 16 99 - 16 - 24/3.6=5, 6706/4.9=3...(4) HB3 SER 35 - HA SER 13 OK 16 99 - 16 - 1895=3, 1.8/1891=2...(6) HA GLU 73 - HA VAL 26 OK 12 79 - 15 - 3908/3.0=3, 6506/3.2=2...(4) HD2 PRO 30 - HA SER 13 lone 8 100 - 8 - 800/2.9=1 HA LEU 54 - HA SER 13 lone 5 89 - 6 - 3.0/1623=1 HA CYS 87 - HA SER 13 lone 4 99 - 4 - HA CYS 87 - HA VAL 26 lone 4 98 - 4 - HD2 PRO 30 - HA VAL 26 lone 3 99 - 3 - HB3 SER 35 - HA VAL 26 lone 3 98 - 3 - HA GLU 73 - HA SER 13 lone 2 81 - 3 - HB3 SER 74 - HA SER 13 lone 2 89 - 2 - HB2 SER 74 - HA SER 13 lone 2 87 - 2 - HB2 SER 72 - HA SER 13 lone 1 96 - 1 - HB3 SER 74 - HA VAL 26 lone 1 87 - 1 - HB2 SER 72 - HA VAL 26 lone 1 94 - 1 - HB2 SER 74 - HA VAL 26 lone 1 85 - 1 - Peak 1890 from cnoeabs.peaks (8.50, 3.87, 63.11 ppm; 4.51 A): 1 out of 27 assignments used, quality = 1.00: * H SER 13 + HB2 SER 13 OK 100 100 - 100 - 4.0=100 H SER 13 - HB2 SER 35 OK 17 93 - 18 - 799=5, 800/1.8=4...(7) H LEU 77 - HA THR 33 OK 15 91 - 17 - 1480/2.9=3, ~5727=2...(5) H GLU 28 - HB2 SER 13 OK 12 100 - 12 - 1886/3.0=2, 1894/1.8=2...(5) H GLU 38 - HB2 SER 13 OK 12 83 - 15 - 21/4.5=5, 1894/1.8=3...(5) H PHE 40 - HA THR 33 poor 9 88 - 11 - 158/2.9=3, 6736/6293=3 H GLU 28 - HA THR 33 lone 9 94 - 9 - 1443/3.6=3, 4.4/5535=1 H LEU 77 - HB2 SER 35 lone 9 88 - 10 - 1653/1.8=3, 363/3.0=2 H LYS 31 - HA THR 33 lone 8 94 - 9 - 4.6/6612=6 H GLU 38 - HA THR 33 poor 8 74 - 10 - 1447/2.9=3, ~5548=1...(4) H PHE 40 - HB2 SER 13 lone 8 96 - 8 - 1579/1.8=3, 21/4.5=1 H TYR 102 - HB2 SER 35 poor 8 67 - 11 - 1505/4.5=6, 1894/1.8=1...(4) H LEU 84 - HB2 SER 13 lone 7 100 - 7 - 21/4.5=2, 1894/1.8=1, 1886/3.0=1 H LEU 77 - HB2 SER 13 lone 7 98 - 7 - 1653/1.8=2, 3.6/6103=1 H SER 13 - HA THR 33 lone 7 95 - 7 - 799=2, 4.6/5440=1 H GLU 38 - HB2 SER 35 lone 5 72 - 8 - 3.9/6703=2, 3.9/6676=2 H PHE 40 - HB2 SER 35 lone 5 85 - 6 - 1579/1.8=1, 6736/6293=1 H LYS 31 - HB2 SER 13 lone 5 100 - 5 - 1894/1.8=1 H TYR 102 - HA THR 33 lone 5 70 - 6 - 4.6/7770=2 H GLU 28 - HB2 SER 35 lone 4 92 - 4 - H LEU 84 - HA THR 33 lone 4 94 - 4 - 1689/3.6=1 H TYR 102 - HB2 SER 13 lone 3 78 - 4 - H LYS 31 - HB2 SER 35 lone 3 92 - 3 - H LEU 84 - HB2 SER 35 lone 2 91 - 3 - H GLY 2 - HB2 SER 13 lone 2 95 - 2 - H GLY 2 - HA THR 33 lone 1 86 - 1 - H GLY 2 - HB2 SER 35 lone 1 84 - 1 - Peak 1891 from cnoeabs.peaks (4.21, 3.87, 63.11 ppm; 3.77 A): 1 out of 30 assignments used, quality = 1.00: * HA SER 13 + HB2 SER 13 OK 100 100 - 100 - 3.0=100 HA VAL 26 - HB2 SER 13 OK 27 100 - 27 - 1895/1.8=5, 1888=4...(13) HA ILE 22 - HB2 SER 13 OK 22 100 - 22 - 1895/1.8=4, 3.2/6288=3...(9) HA SER 13 - HB2 SER 35 OK 18 93 - 19 - 1895/1.8=3, 1888=3...(8) HA THR 17 - HB2 SER 13 OK 16 85 - 19 - ~5949=4, 22/4.5=4...(8) HA ILE 22 - HA THR 33 OK 13 95 - 14 - 5995/2.9=2, ~1567=2...(8) HA CYS 52 - HB2 SER 13 lone 7 99 - 7 - 1895/1.8=1, 3.6/1010=1 HA VAL 66 - HB2 SER 13 lone 7 100 - 7 - 1895/1.8=1, ~6290=1 HA VAL 26 - HA THR 33 lone 7 94 - 7 - ~6482=1, 1888=1 HA THR 17 - HA THR 33 lone 6 76 - 8 - 3.5/5535=4, 5454/3.6=2 HA SER 13 - HA THR 33 lone 6 95 - 7 - HA ILE 22 - HB2 SER 35 lone 6 93 - 6 - 1895/1.8=1 HA CYS 52 - HA THR 33 lone 3 93 - 3 - 6058/2.9=1 HA LEU 126 - HB2 SER 13 lone 3 99 - 3 - HA VAL 26 - HB2 SER 35 lone 3 91 - 3 - HA VAL 66 - HA THR 33 lone 3 95 - 3 - HA THR 17 - HB2 SER 35 lone 2 74 - 2 - HA VAL 66 - HB2 SER 35 lone 1 92 - 2 - HA ALA 89 - HB2 SER 13 lone 1 65 - 2 - HA CYS 52 - HB2 SER 35 lone 1 91 - 1 - HA LEU 126 - HA THR 33 lone 1 92 - 1 - HA3 GLY 61 - HB2 SER 13 lone 1 78 - 1 - HA ALA 89 - HB2 SER 35 lone 1 55 - 2 - HA LEU 126 - HB2 SER 35 lone 1 90 - 1 - HA PRO 68 - HB2 SER 13 lone 1 60 - 1 - HA3 GLY 61 - HB2 SER 35 lone 0 67 - 1 - HA3 GLY 61 - HA THR 33 lone 0 70 - 1 - HA ALA 89 - HA THR 33 lone 0 57 - 1 - HA PRO 68 - HA THR 33 lone 0 52 - 1 - HA PRO 68 - HB2 SER 35 lone 0 50 - 1 - Peak 1892 from cnoeabs.peaks (3.87, 3.87, 63.11 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 13 + HB2 SER 13 OK 100 100 - 100 HA THR 33 + HA THR 33 OK 90 90 - 100 HB2 SER 35 + HB2 SER 35 OK 82 82 - 100 Peak 1893 from cnoeabs.peaks (3.76, 3.87, 63.11 ppm; 2.40 A): 2 out of 30 assignments used, quality = 1.00: * HB3 SER 13 + HB2 SER 13 OK 100 100 - 100 - 1.8=100 HB3 SER 35 + HB2 SER 35 OK 91 91 - 100 - 1.8=100 HB3 SER 35 - HB2 SER 13 lone 7 99 - 7 - 1896=1 HB3 SER 35 - HA THR 33 lone 7 93 - 7 - ~6619=2, 2636=1, 3.0/2630=1 HB3 SER 13 - HB2 SER 35 lone 7 93 - 7 - 1896=1, 2631/3.0=1 HA GLU 38 - HB2 SER 13 lone 6 99 - 6 - 24/4.5=2 HD2 PRO 30 - HA THR 33 lone 5 94 - 5 - HD2 PRO 30 - HB2 SER 13 lone 4 100 - 4 - HB3 SER 13 - HA THR 33 lone 2 95 - 2 - HA LEU 54 - HB2 SER 13 lone 2 89 - 2 - HA GLU 38 - HA THR 33 lone 2 93 - 2 - HA LEU 54 - HA THR 33 lone 2 80 - 3 - HD2 PRO 30 - HB2 SER 35 lone 2 92 - 2 - HA CYS 87 - HB2 SER 13 lone 2 99 - 2 - HA CYS 87 - HB2 SER 35 lone 1 90 - 2 - HA GLU 38 - HB2 SER 35 lone 1 91 - 1 - HA GLU 73 - HB2 SER 13 lone 1 81 - 1 - HA LEU 54 - HB2 SER 35 lone 1 77 - 1 - HB2 SER 72 - HB2 SER 13 lone 1 96 - 1 - HB3 SER 74 - HB2 SER 13 lone 1 89 - 1 - HB3 SER 74 - HA THR 33 lone 1 80 - 1 - HB2 SER 74 - HB2 SER 13 lone 0 87 - 1 - HB2 SER 74 - HA THR 33 lone 0 78 - 1 - HA CYS 87 - HA THR 33 lone 0 92 - 0 - HA GLU 73 - HB2 SER 35 lone 0 69 - 1 - HB2 SER 72 - HB2 SER 35 lone 0 85 - 0 - HB2 SER 72 - HA THR 33 lone 0 88 - 0 - HB3 SER 74 - HB2 SER 35 lone 0 77 - 0 - HA GLU 73 - HA THR 33 lone 0 72 - 0 - HB2 SER 74 - HB2 SER 35 lone 0 76 - 0 - Peak 1894 from cnoeabs.peaks (8.50, 3.76, 63.11 ppm; 4.51 A): 1 out of 18 assignments used, quality = 1.00: * H SER 13 + HB3 SER 13 OK 100 100 - 100 - 4.0=100 H SER 13 - HB3 SER 35 OK 19 99 - 19 - 800=5, 799/1.8=4...(7) H GLU 38 - HB3 SER 13 OK 16 83 - 19 - 21/4.5=5, 927=2...(8) H GLU 28 - HB3 SER 13 OK 13 100 - 13 - 4.8/6289=2, 1886/3.0=2...(5) H LEU 77 - HB3 SER 35 OK 12 96 - 13 - 1653=2, 363/3.0=2...(6) H PHE 40 - HB3 SER 13 OK 11 96 - 12 - 1579=3, 4.6/1586=2...(5) H LEU 77 - HB3 SER 13 OK 11 98 - 11 - 1653=2, 4.7/6083=1...(5) H LEU 84 - HB3 SER 13 lone 8 100 - 8 - 21/4.5=2, 4.6/6290=1...(4) H TYR 102 - HB3 SER 35 poor 8 76 - 11 - 1505/4.5=6, 4.6/5540=1...(4) H LYS 31 - HB3 SER 13 lone 7 100 - 7 - 3.9/2372=1, 3.6/2365=1 H PHE 40 - HB3 SER 35 lone 6 93 - 6 - 1579=2 H GLU 38 - HB3 SER 35 lone 5 80 - 6 - H LYS 31 - HB3 SER 35 lone 4 99 - 4 - H GLU 28 - HB3 SER 35 lone 4 99 - 4 - H TYR 102 - HB3 SER 13 lone 3 78 - 4 - H LEU 84 - HB3 SER 35 lone 3 98 - 3 - H GLY 2 - HB3 SER 13 lone 1 95 - 2 - H GLY 2 - HB3 SER 35 lone 1 92 - 1 - Peak 1895 from cnoeabs.peaks (4.21, 3.76, 63.11 ppm; 3.54 A): 1 out of 20 assignments used, quality = 1.00: * HA SER 13 + HB3 SER 13 OK 100 100 - 100 - 3.0=100 HA VAL 26 - HB3 SER 13 OK 24 100 - 24 - 1889=4, 1891/1.8=3...(7) HA ILE 22 - HB3 SER 13 OK 20 100 - 20 - 3.2/6289=4, 1891/1.8=3...(8) HA SER 13 - HB3 SER 35 OK 17 99 - 17 - 1889=3, 1891/1.8=2...(6) HA THR 17 - HB3 SER 13 OK 13 85 - 15 - ~5949=3, 22/4.5=3...(6) HA VAL 66 - HB3 SER 13 lone 6 100 - 6 - 3.2/6290=1 HA CYS 52 - HB3 SER 13 lone 6 99 - 6 - HA ILE 22 - HB3 SER 35 lone 6 99 - 6 - 3.2/6289=1 HA LEU 126 - HB3 SER 13 lone 3 99 - 3 - HA VAL 26 - HB3 SER 35 lone 3 98 - 3 - HA VAL 66 - HB3 SER 35 lone 2 99 - 2 - HA CYS 52 - HB3 SER 35 lone 2 98 - 2 - HA ALA 89 - HB3 SER 13 lone 2 65 - 2 - HA ALA 89 - HB3 SER 35 lone 2 63 - 2 - HA THR 17 - HB3 SER 35 lone 1 82 - 2 - HA LEU 126 - HB3 SER 35 lone 1 97 - 1 - HA3 GLY 61 - HB3 SER 13 lone 1 78 - 1 - HA PRO 68 - HB3 SER 13 lone 1 60 - 1 - HA3 GLY 61 - HB3 SER 35 lone 0 76 - 1 - HA PRO 68 - HB3 SER 35 lone 0 58 - 1 - Peak 1896 from cnoeabs.peaks (3.87, 3.76, 63.11 ppm; 2.40 A): 2 out of 24 assignments used, quality = 1.00: * HB2 SER 13 + HB3 SER 13 OK 100 100 - 100 - 1.8=100 HB2 SER 35 + HB3 SER 35 OK 91 91 - 100 - 1.8=100 HB THR 33 - HB3 SER 35 lone 9 96 - 9 - ~6619=2, ~6656=2, 2630/3.0=1 HB2 SER 13 - HB3 SER 35 lone 7 99 - 7 - 1893=1 HB2 SER 35 - HB3 SER 13 lone 7 93 - 7 - 1893=1, 3.0/2631=1 HA THR 33 - HB3 SER 35 lone 6 95 - 7 - ~6619=2, 1893=1, 2632/3.0=1 HA ARG 53 - HB3 SER 13 lone 3 89 - 4 - HA GLU 15 - HB3 SER 13 lone 3 81 - 4 - 23/4.5=1 HA THR 33 - HB3 SER 13 lone 2 97 - 2 - HB THR 33 - HB3 SER 13 lone 1 98 - 1 - HB3 ASN 79 - HB3 SER 13 lone 1 95 - 1 - HB3 ASN 79 - HB3 SER 35 lone 1 92 - 1 - HA3 GLY 104 - HB3 SER 35 lone 1 89 - 1 - HB3 SER 112 - HB3 SER 13 lone 1 83 - 1 - HA THR 19 - HB3 SER 13 lone 1 63 - 1 - HB2 SER 112 - HB3 SER 13 lone 1 78 - 1 - HA GLU 15 - HB3 SER 35 lone 1 78 - 1 - HA3 GLY 104 - HB3 SER 13 lone 1 92 - 1 - HB THR 95 - HB3 SER 13 lone 1 85 - 1 - HA ARG 53 - HB3 SER 35 lone 0 86 - 0 - HA THR 19 - HB3 SER 35 lone 0 60 - 1 - HB3 SER 112 - HB3 SER 35 lone 0 80 - 0 - HB2 SER 112 - HB3 SER 35 lone 0 76 - 0 - HB THR 95 - HB3 SER 35 lone 0 82 - 0 - Peak 1897 from cnoeabs.peaks (3.76, 3.76, 63.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 13 + HB3 SER 13 OK 100 100 - 100 HB3 SER 35 + HB3 SER 35 OK 98 98 - 100 Peak 1898 from cnoeabs.peaks (8.84, 4.02, 55.48 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 14 + HA ALA 14 OK 100 100 - 100 - 3.0=100 H ASN 108 - HA ALA 14 OK 36 100 - 36 - 538=8, 1901/2.1=6...(11) H VAL 50 - HA ALA 14 OK 14 100 - 14 - 1901/2.1=3, 4.3/6297=3...(5) Peak 1899 from cnoeabs.peaks (4.02, 4.02, 55.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 14 + HA ALA 14 OK 100 100 - 100 Peak 1900 from cnoeabs.peaks (1.47, 4.02, 55.48 ppm; 3.02 A): 1 out of 17 assignments used, quality = 1.00: * QB ALA 14 + HA ALA 14 OK 100 100 - 100 - 2.1=100 HD2 LYS 46 - HA ALA 14 OK 13 99 - 13 - 2.9/6295=2, 2.9/6295=2...(5) HB2 LEU 93 - HA ALA 14 OK 12 100 - 12 - 3.1/6298=2, 803/3.0=1 HG3 ARG 57 - HA ALA 14 lone 7 100 - 7 - HG LEU 93 - HA ALA 14 poor 7 65 - 11 - 2.1/6298=2, ~6305=1, 2.1/7607=1 HG2 LYS 119 - HA ALA 14 lone 7 100 - 7 - 1.8/6295=1 HG LEU 24 - HA ALA 14 lone 6 92 - 7 - 3.0/6296=1, ~6303=1 HB3 GLU 75 - HA ALA 14 lone 6 92 - 7 - 27/3.6=1, ~6307=1 HG2 LYS 109 - HA ALA 14 lone 5 92 - 6 - 4.7/1741=2 HB3 LEU 101 - HA ALA 14 lone 5 68 - 7 - 3.1/7701=1, 27/3.6=1 HG LEU 91 - HA ALA 14 lone 3 73 - 4 - HB3 LEU 45 - HA ALA 14 lone 3 92 - 3 - HG3 LYS 31 - HA ALA 14 lone 2 100 - 2 - HB3 LEU 58 - HA ALA 14 lone 2 78 - 2 - HD2 LYS 65 - HA ALA 14 lone 1 78 - 2 - HD3 LYS 65 - HA ALA 14 lone 1 78 - 2 - QB ALA 89 - HA ALA 14 lone 1 71 - 1 - Peak 1901 from cnoeabs.peaks (8.84, 1.47, 17.70 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 14 + QB ALA 14 OK 100 100 - 100 - 2.9=100 H ASN 108 - QB ALA 14 OK 19 100 - 19 - 1898/2.1=6, 25/3.7=3...(6) H VAL 50 - QB ALA 14 lone 10 100 - 10 - 1898/2.1=3, 4.3/6304=2...(4) Peak 1902 from cnoeabs.peaks (4.02, 1.47, 17.70 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 14 + QB ALA 14 OK 100 100 - 100 - 2.1=100 HD3 PRO 37 - QB ALA 14 OK 29 78 - 37 - 3.0/6307=8, 3.0/6310=5...(14) HA GLN 16 - QB ALA 14 OK 25 97 - 26 - 3.6/6315=5, 26/3.7=3...(10) HA PHE 107 - QB ALA 14 OK 20 92 - 22 - 5.6/6316=4, 802/2.9=3...(9) HA TYR 102 - QB ALA 14 lone 4 71 - 5 - HA ARG 81 - QB ALA 14 lone 3 60 - 6 - 6138/3.7=1 HA THR 62 - QB ALA 14 lone 1 65 - 2 - Peak 1903 from cnoeabs.peaks (1.47, 1.47, 17.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 14 + QB ALA 14 OK 100 100 - 100 Peak 1904 from cnoeabs.peaks (8.77, 3.85, 60.09 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 15 + HA GLU 15 OK 100 100 - 100 - 3.0=100 H ASN 99 - HA GLU 15 OK 16 89 - 18 - 1910/3.0=3, 1916/3.0=3...(6) H THR 23 - HA GLU 15 poor 9 71 - 13 - 1571=2, 1910/3.0=2...(8) H ARG 85 - HA GLU 15 poor 9 76 - 11 - 28/3.6=2, 1910/3.0=2...(6) Peak 1905 from cnoeabs.peaks (3.85, 3.85, 60.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 15 + HA GLU 15 OK 100 100 - 100 Peak 1906 from cnoeabs.peaks (2.09, 3.85, 60.09 ppm; 3.25 A): 1 out of 13 assignments used, quality = 1.00: * HB2 GLU 15 + HA GLU 15 OK 100 100 - 100 - 3.0=100 HB3 PRO 70 - HA GLU 15 OK 36 89 - 41 - 1.8/1909=7, 2.3/5957=6...(18) HB3 GLN 16 - HA GLU 15 OK 31 99 - 31 - 1950/3.6=6, 806/3.0=4...(12) HB2 GLN 16 - HA GLU 15 OK 30 99 - 31 - 1950/3.6=6, 806/3.0=4...(12) HG3 GLU 69 - HA GLU 15 OK 20 100 - 20 - 1.8/1907=4, 3787/3.0=3...(8) HB2 LEU 101 - HA GLU 15 OK 16 95 - 17 - 3.1/6320=3, 1.8/8187=3 HB2 ARG 57 - HA GLU 15 lone 8 92 - 9 - 3.0/8187=2, 1.8/8188=1 HB2 LEU 114 - HA GLU 15 lone 7 100 - 7 - 4.6/7961=2 HG LEU 21 - HA GLU 15 lone 6 100 - 6 - 4.7/1558=1 HB3 GLU 38 - HA GLU 15 lone 6 65 - 9 - 3.0/1909=2, 3.0/1909=2 HB ILE 63 - HA GLU 15 lone 5 76 - 7 - 4.0/5444=2, 3505/3.6=1 HG2 GLU 64 - HA GLU 15 lone 5 92 - 6 - 1.8/1909=1 HB2 GLN 105 - HA GLU 15 lone 4 97 - 4 - Peak 1907 from cnoeabs.peaks (2.14, 3.85, 60.09 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 15 + HA GLU 15 OK 100 100 - 100 - 3.0=100 HB VAL 115 - HA GLU 15 OK 25 100 - 25 - 4.4/5959=3, 1913/3.0=3...(12) HB2 PRO 30 - HA GLU 15 OK 23 100 - 22 - 1913/3.0=3, 807/3.0=3...(12) HG2 GLU 69 - HA GLU 15 OK 22 96 - 23 - 1913/3.0=4, 1.8/1906=3...(9) HG12 ILE 80 - HA GLU 15 OK 19 68 - 28 - 2.1/7411=3, 1917=3...(13) Peak 1908 from cnoeabs.peaks (2.37, 3.85, 60.09 ppm; 3.24 A): 4 out of 9 assignments used, quality = 0.94: * HG2 GLU 15 + HA GLU 15 OK 79 100 - 79 - 4.1=50, 1922/3.0=16...(11) HB VAL 18 + HA GLU 15 OK 50 97 - 52 - 2.1/6319=13, 2.1/6320=12...(12) HG2 PRO 70 + HA GLU 15 OK 33 85 - 39 - 2.3/1909=6, 1914/3.0=5...(17) HG3 GLN 16 + HA GLU 15 OK 15 60 - 26 - 1966/3.6=7, 3.0/1906=3...(9) HB2 GLN 103 - HA GLU 15 lone 7 100 - 7 - HB3 GLU 82 - HA GLU 15 poor 7 63 - 11 - 3.7/5444=3, ~6140=1, 808/3.0=1 HB2 GLU 82 - HA GLU 15 poor 7 63 - 11 - 3.7/5444=3, ~6140=1, 808/3.0=1 HB3 ASN 118 - HA GLU 15 lone 4 92 - 4 - HG2 MET 11 - HA GLU 15 lone 4 97 - 4 - Peak 1909 from cnoeabs.peaks (2.25, 3.85, 60.09 ppm; 3.41 A): 5 out of 13 assignments used, quality = 0.94: * HG3 GLU 15 + HA GLU 15 OK 85 100 - 85 - 4.1=58, 1928/3.0=17...(11) HB2 PRO 70 + HA GLU 15 OK 42 99 - 43 - 1915/3.0=7, 2.3/5957=6...(17) HG3 GLU 38 + HA GLU 15 OK 12 97 - 13 - 809/3.0=2, 1915/3.0=1...(5) HG2 GLU 38 + HA GLU 15 OK 12 97 - 13 - 809/3.0=2, 1915/3.0=1...(5) HB3 LEU 117 + HA GLU 15 OK 10 87 - 12 - 1.8/8188=2, 809/3.0=1...(4) HG2 GLU 56 - HA GLU 15 lone 8 100 - 8 - 33/3.6=2, 3.0/8188=1, 809/3.0=1 HG3 GLU 64 - HA GLU 15 lone 6 93 - 6 - HB2 PRO 68 - HA GLU 15 lone 3 89 - 3 - HG3 GLU 28 - HA GLU 15 lone 3 85 - 3 - HG2 GLU 94 - HA GLU 15 lone 3 96 - 3 - HG2 GLU 28 - HA GLU 15 lone 2 81 - 3 - HB2 CYS 87 - HA GLU 15 lone 2 87 - 3 - HG3 GLU 94 - HA GLU 15 lone 2 87 - 2 - Peak 1910 from cnoeabs.peaks (8.77, 2.09, 29.56 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.94: * H GLU 15 + HB2 GLU 15 OK 93 100 - 93 - 4.0=76, 807/1.8=25...(13) H ASN 99 + HB2 GLU 15 OK 15 89 - 17 - 1916/1.8=3, 1904/3.0=3...(5) H ARG 85 - HB2 GLU 15 lone 8 76 - 10 - 1904/3.0=2, 1916/1.8=2...(5) H THR 23 - HB2 GLU 15 lone 7 71 - 10 - 1904/3.0=2, 1916/1.8=2...(5) Peak 1911 from cnoeabs.peaks (3.85, 2.09, 29.56 ppm; 3.69 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 15 + HB2 GLU 15 OK 100 100 - 100 - 3.0=100 HA THR 19 - HB2 GLU 15 OK 38 99 - 39 - 1923/3.0=5, 1929/3.0=5...(15) HA THR 116 - HB2 GLU 15 OK 16 83 - 19 - ~5959=2, 1917/1.8=2...(8) HA LEU 77 - HB2 GLU 15 OK 13 96 - 13 - 8340/1.8=2, ~6319=2...(5) HB2 SER 13 - HB2 GLU 15 OK 10 81 - 13 - 4.5/6300=4, 805/4.0=2...(6) HA LYS 119 - HB2 GLU 15 lone 8 89 - 9 - 1923/3.0=1, 1929/3.0=1 HA THR 33 - HB2 GLU 15 lone 7 97 - 8 - HB THR 33 - HB2 GLU 15 lone 6 96 - 7 - HA3 GLY 104 - HB2 GLU 15 lone 6 99 - 6 - HB2 SER 35 - HB2 GLU 15 lone 3 99 - 3 - Peak 1912 from cnoeabs.peaks (2.09, 2.09, 29.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 15 + HB2 GLU 15 OK 100 100 - 100 Peak 1913 from cnoeabs.peaks (2.14, 2.09, 29.56 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 15 + HB2 GLU 15 OK 100 100 - 100 - 1.8=100 HG2 GLU 69 - HB2 GLU 15 OK 22 96 - 23 - 3782=5, 1931/3.0=2...(10) HB2 PRO 30 - HB2 GLU 15 OK 17 100 - 17 - 1925/3.0=2, 1931/3.0=2...(7) HB VAL 115 - HB2 GLU 15 OK 14 100 - 14 - 1907/3.0=2, 1925/3.0=2...(9) HG12 ILE 80 - HB2 GLU 15 OK 12 68 - 18 - 1918=2, 1907/3.0=2...(8) Peak 1914 from cnoeabs.peaks (2.37, 2.09, 29.56 ppm; 3.62 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLU 15 + HB2 GLU 15 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 + HB2 GLU 15 OK 52 85 - 62 - 2.3/1915=10, 1920/1.8=6...(29) HB VAL 18 - HB2 GLU 15 OK 43 97 - 44 - 1908/3.0=8, ~6320=7...(15) HG3 GLN 16 - HB2 GLU 15 OK 21 60 - 36 - 4.9/5445=9, 4.0/1937=3...(20) HB3 GLU 82 - HB2 GLU 15 poor 10 63 - 16 - 3.7/5445=4, 5957/3.0=1 HB2 GLU 82 - HB2 GLU 15 poor 10 63 - 16 - 3.7/5445=4, 5957/3.0=1 HB2 GLN 103 - HB2 GLU 15 lone 9 100 - 9 - 1920/1.8=1, 1908/3.0=1, ~4734=1 HG2 MET 11 - HB2 GLU 15 lone 4 97 - 4 - HB3 ASN 118 - HB2 GLU 15 lone 4 92 - 4 - Peak 1915 from cnoeabs.peaks (2.25, 2.09, 29.56 ppm; 3.00 A): 2 out of 13 assignments used, quality = 1.00: * HG3 GLU 15 + HB2 GLU 15 OK 100 100 - 100 - 3.0=100 HB2 PRO 70 + HB2 GLU 15 OK 50 99 - 51 - 3812=8, 1921/1.8=6...(21) HG3 GLU 38 - HB2 GLU 15 OK 10 97 - 10 - 1921/1.8=1, 1909/3.0=1 HG2 GLU 38 - HB2 GLU 15 poor 10 97 - 10 - 1921/1.8=1, 1909/3.0=1 HB3 LEU 117 - HB2 GLU 15 lone 8 87 - 9 - 1921/1.8=1, 1909/3.0=1...(4) HG2 GLU 56 - HB2 GLU 15 lone 6 100 - 6 - HG3 GLU 64 - HB2 GLU 15 lone 6 93 - 7 - HB2 PRO 68 - HB2 GLU 15 lone 4 89 - 4 - 3.9/1105=1 HG3 GLU 28 - HB2 GLU 15 lone 3 85 - 3 - HG2 GLU 94 - HB2 GLU 15 lone 2 96 - 2 - HG2 GLU 28 - HB2 GLU 15 lone 2 81 - 3 - HG3 GLU 94 - HB2 GLU 15 lone 2 87 - 2 - HB2 CYS 87 - HB2 GLU 15 lone 2 87 - 2 - Peak 1916 from cnoeabs.peaks (8.77, 2.14, 29.56 ppm; 3.81 A): 1 out of 8 assignments used, quality = 0.96: * H GLU 15 + HB3 GLU 15 OK 96 100 - 96 - 4.0=84, 1910/1.8=29...(11) H ASN 99 - HB3 GLU 15 OK 15 89 - 16 - 1910/1.8=5, 1904/3.0=4...(5) H ASN 99 - HG12 ILE 80 OK 14 52 - 26 - 7672/2.1=5, 7672/3.2=5...(9) H GLU 15 - HG12 ILE 80 OK 13 66 - 19 - 807=4, 3.0/1907=3...(9) H ARG 85 - HB3 GLU 15 lone 8 76 - 10 - 1910/1.8=2, 1904/3.0=2...(5) H THR 23 - HB3 GLU 15 lone 7 71 - 9 - 1910/1.8=2, 1904/3.0=2...(5) H THR 23 - HG12 ILE 80 lone 1 39 - 3 - H ARG 85 - HG12 ILE 80 lone 1 43 - 3 - Peak 1917 from cnoeabs.peaks (3.85, 2.14, 29.56 ppm; 3.73 A): 1 out of 20 assignments used, quality = 1.00: * HA GLU 15 + HB3 GLU 15 OK 100 100 - 100 - 3.0=100 HA THR 19 - HB3 GLU 15 OK 38 99 - 39 - 1911/1.8=7, 1923/3.0=5...(14) HA GLU 15 - HG12 ILE 80 OK 22 66 - 33 - 1907=5, 7411/2.1=3...(15) HA THR 116 - HB3 GLU 15 OK 19 83 - 23 - 3.0/589=3, 1911/1.8=3...(8) HA LEU 77 - HG12 ILE 80 OK 19 59 - 32 - 6108/3.0=7, 6107/5.1=6...(9) HA THR 19 - HG12 ILE 80 OK 18 64 - 28 - 7411/2.1=5, 6109/3.0=4...(11) HA THR 116 - HG12 ILE 80 OK 15 48 - 31 - 7411/2.1=5, 6109/3.0=4...(11) HA LEU 77 - HB3 GLU 15 OK 14 96 - 15 - 1911/1.8=2, ~6319=2...(6) HA LYS 119 - HG12 ILE 80 OK 11 52 - 22 - 7411/2.1=4, 6109/3.0=3...(7) HB2 SER 13 - HB3 GLU 15 poor 9 81 - 11 - 1911/1.8=2, 805/4.0=2...(4) HA LYS 119 - HB3 GLU 15 lone 8 89 - 9 - 1911/1.8=1, 1923/3.0=1 HA THR 33 - HB3 GLU 15 lone 8 97 - 8 - 1911/1.8=1, 1923/3.0=1 HB THR 33 - HB3 GLU 15 lone 7 96 - 7 - 1911/1.8=1 HA3 GLY 104 - HB3 GLU 15 lone 6 99 - 6 - 1911/1.8=1 HA THR 33 - HG12 ILE 80 lone 4 60 - 6 - ~133=1 HB2 SER 35 - HB3 GLU 15 lone 3 99 - 3 - HB THR 33 - HG12 ILE 80 lone 3 59 - 4 - HB2 SER 35 - HG12 ILE 80 lone 1 64 - 2 - HA3 GLY 104 - HG12 ILE 80 lone 1 64 - 2 - HB2 SER 13 - HG12 ILE 80 lone 1 46 - 2 - Peak 1918 from cnoeabs.peaks (2.09, 2.14, 29.56 ppm; 2.68 A): 1 out of 26 assignments used, quality = 1.00: * HB2 GLU 15 + HB3 GLU 15 OK 100 100 - 100 - 1.8=100 HB3 PRO 70 - HB3 GLU 15 OK 34 89 - 39 - 1.8/1921=5, ~1915=4...(20) HB3 GLN 16 - HB3 GLU 15 OK 28 99 - 28 - 4.0/31=6, 1930/3.0=3...(14) HB2 GLN 16 - HB3 GLU 15 OK 28 99 - 28 - 4.0/31=6, 1930/3.0=3...(14) HG3 GLU 69 - HB3 GLU 15 OK 22 100 - 22 - 3787=4, ~1913=2...(10) HB2 LEU 101 - HG12 ILE 80 OK 15 58 - 26 - 8343/2.1=3, 7730/3.2=3...(14) HB2 GLU 15 - HG12 ILE 80 OK 12 66 - 18 - 1913=3, 3.0/1907=2...(6) HG3 GLU 69 - HG12 ILE 80 OK 11 65 - 17 - 3787=3, 3.0/3775=2...(7) HB2 LEU 114 - HG12 ILE 80 OK 10 65 - 16 - 5068/1.8=2, 5893/5.1=2...(6) HB2 LEU 101 - HB3 GLU 15 lone 9 95 - 10 - HG LEU 21 - HG12 ILE 80 poor 9 65 - 13 - ~8344=4, 8343/2.1=2, ~6411=2 HB2 ARG 57 - HB3 GLU 15 lone 5 92 - 5 - HG2 GLU 64 - HB3 GLU 15 lone 5 92 - 5 - HB2 LEU 114 - HB3 GLU 15 lone 4 100 - 4 - HB3 PRO 70 - HG12 ILE 80 lone 4 52 - 8 - ~7264=1 HB ILE 63 - HB3 GLU 15 lone 4 76 - 5 - HB3 GLU 38 - HB3 GLU 15 lone 3 65 - 5 - HB3 GLN 16 - HG12 ILE 80 lone 3 64 - 5 - 4.0/31=1 HB2 GLN 16 - HG12 ILE 80 lone 3 63 - 5 - 4.0/31=1 HG LEU 21 - HB3 GLU 15 lone 3 100 - 3 - HB2 GLN 105 - HB3 GLU 15 lone 2 97 - 3 - HB ILE 63 - HG12 ILE 80 lone 2 43 - 4 - HG2 GLU 64 - HG12 ILE 80 lone 1 55 - 2 - HB2 ARG 57 - HG12 ILE 80 lone 1 55 - 2 - HB2 GLN 105 - HG12 ILE 80 lone 1 61 - 1 - HB3 GLU 38 - HG12 ILE 80 lone 0 36 - 1 - Peak 1919 from cnoeabs.peaks (2.14, 2.14, 29.56 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 15 + HB3 GLU 15 OK 100 100 - 100 HG12 ILE 80 - HG12 ILE 80 OK 38 38 - 100 Peak 1920 from cnoeabs.peaks (2.37, 2.14, 29.56 ppm; 3.63 A): 2 out of 18 assignments used, quality = 1.00: * HG2 GLU 15 + HB3 GLU 15 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 + HB3 GLU 15 OK 50 85 - 60 - 2.3/1921=8, 1914/1.8=7...(27) HB VAL 18 - HB3 GLU 15 OK 41 97 - 42 - 1908/3.0=8, ~6320=7...(14) HG3 GLN 16 - HB3 GLU 15 OK 22 60 - 37 - 4.9/31=9, 3.0/1918=3...(22) HG2 GLU 15 - HG12 ILE 80 OK 14 66 - 22 - 1925=3, 1.8/1931=3...(9) HB2 GLN 103 - HB3 GLU 15 lone 9 100 - 9 - 1914/1.8=1, 1908/3.0=1, ~4734=1 HB2 GLU 82 - HB3 GLU 15 poor 9 63 - 13 - 3.7/5446=3, 1914/1.8=1 HB3 GLU 82 - HB3 GLU 15 poor 9 63 - 13 - 3.7/5446=3, 1914/1.8=1 HG2 PRO 70 - HG12 ILE 80 poor 8 49 - 15 - ~7264=3, ~7254=2...(7) HG2 MET 11 - HB3 GLU 15 lone 5 97 - 5 - 5.0/6283=1 HB3 ASN 118 - HB3 GLU 15 lone 4 92 - 4 - HB3 GLU 82 - HG12 ILE 80 poor 4 34 - 11 - 3.7/5446=2, ~7415=2...(5) HB2 GLU 82 - HG12 ILE 80 poor 4 34 - 11 - 3.7/5446=2, ~7415=2...(5) HB VAL 18 - HG12 ILE 80 lone 2 61 - 4 - HB3 ASN 118 - HG12 ILE 80 lone 2 55 - 3 - HG2 MET 11 - HG12 ILE 80 lone 1 61 - 2 - HG3 GLN 16 - HG12 ILE 80 lone 1 32 - 4 - 4.9/31=2 HB2 GLN 103 - HG12 ILE 80 lone 1 65 - 2 - Peak 1921 from cnoeabs.peaks (2.25, 2.14, 29.56 ppm; 3.36 A): 2 out of 26 assignments used, quality = 1.00: * HG3 GLU 15 + HB3 GLU 15 OK 100 100 - 100 - 3.0=100 HB2 PRO 70 + HB3 GLU 15 OK 55 99 - 56 - 1915/1.8=10, 1927/3.0=7...(28) HG3 GLU 15 - HG12 ILE 80 OK 13 66 - 19 - 1931=3, 1.8/1925=3...(8) HG3 GLU 38 - HB3 GLU 15 OK 12 97 - 12 - 1915/1.8=2, 1909/3.0=2...(5) HG2 GLU 38 - HB3 GLU 15 OK 12 97 - 12 - 1915/1.8=2, 1909/3.0=2...(5) HB3 LEU 117 - HB3 GLU 15 OK 10 87 - 12 - 1915/1.8=2, ~6322=1...(6) HB2 PRO 70 - HG12 ILE 80 poor 8 64 - 13 - ~7264=2, 7254/1.8=2, ~8514=1 HG2 GLU 56 - HB3 GLU 15 lone 8 100 - 8 - 1915/1.8=1, 33/4.6=1, 1909/3.0=1 HG3 GLU 64 - HB3 GLU 15 lone 6 93 - 7 - 1915/1.8=1 HB2 PRO 68 - HB3 GLU 15 lone 4 89 - 5 - 3.9/1104=2 HG3 GLU 28 - HB3 GLU 15 lone 3 85 - 3 - HG2 GLU 94 - HB3 GLU 15 lone 3 96 - 3 - HG2 GLU 28 - HB3 GLU 15 lone 3 81 - 3 - HG3 GLU 94 - HB3 GLU 15 lone 2 87 - 3 - HB3 LEU 117 - HG12 ILE 80 lone 2 51 - 5 - ~7409=2, ~8005=2 HB2 CYS 87 - HB3 GLU 15 lone 2 87 - 2 - HG3 GLU 64 - HG12 ILE 80 lone 1 57 - 2 - HB2 PRO 68 - HG12 ILE 80 lone 1 52 - 3 - 3.9/1104=2 HG3 GLU 38 - HG12 ILE 80 lone 1 61 - 2 - HG2 GLU 38 - HG12 ILE 80 lone 1 60 - 2 - HG3 GLU 28 - HG12 ILE 80 lone 1 49 - 2 - HG2 GLU 28 - HG12 ILE 80 lone 1 46 - 2 - HG2 GLU 94 - HG12 ILE 80 lone 1 59 - 1 - HG3 GLU 94 - HG12 ILE 80 lone 1 51 - 1 - HG2 GLU 56 - HG12 ILE 80 lone 0 65 - 1 - HB2 CYS 87 - HG12 ILE 80 lone 0 51 - 1 - Peak 1922 from cnoeabs.peaks (8.77, 2.37, 36.48 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.91: * H GLU 15 + HG2 GLU 15 OK 90 100 - 90 - 4.6=56, 1928/1.8=27...(12) H ASN 99 + HG2 GLU 15 OK 13 89 - 15 - 1928/1.8=4, 1910/3.0=4...(4) H ARG 85 - HG2 GLU 15 lone 7 76 - 9 - 1928/1.8=2, 1910/3.0=2...(4) H THR 23 - HG2 GLU 15 lone 6 71 - 8 - 1928/1.8=2, 1910/3.0=2...(4) Peak 1923 from cnoeabs.peaks (3.85, 2.37, 36.48 ppm; 3.70 A): 2 out of 10 assignments used, quality = 0.95: * HA GLU 15 + HG2 GLU 15 OK 92 100 - 92 - 4.1=74, 3.0/1922=21...(12) HA THR 19 + HG2 GLU 15 OK 33 99 - 33 - 1929/1.8=6, 3.0/48=6...(8) HA THR 116 - HG2 GLU 15 OK 13 83 - 16 - 1929/1.8=3, 1911/3.0=2...(6) HA LEU 77 - HG2 GLU 15 lone 9 96 - 10 - 8340/3.0=2, 1929/1.8=2...(4) HA LYS 119 - HG2 GLU 15 lone 7 89 - 8 - 3.0/606=2, 1929/1.8=1 HB2 SER 13 - HG2 GLU 15 lone 7 81 - 8 - 1929/1.8=2, 1911/3.0=1...(4) HA THR 33 - HG2 GLU 15 lone 6 97 - 7 - 1929/1.8=1, 1911/3.0=1 HB THR 33 - HG2 GLU 15 lone 6 96 - 6 - 1929/1.8=1 HA3 GLY 104 - HG2 GLU 15 lone 6 99 - 6 - 3.0/514=2, 1929/1.8=1 HB2 SER 35 - HG2 GLU 15 lone 3 99 - 3 - Peak 1924 from cnoeabs.peaks (2.09, 2.37, 36.48 ppm; 3.21 A): 1 out of 13 assignments used, quality = 1.00: * HB2 GLU 15 + HG2 GLU 15 OK 100 100 - 100 - 3.0=100 HB3 PRO 70 - HG2 GLU 15 OK 44 89 - 49 - 1.8/1927=9, 1930/1.8=7...(26) HB3 GLN 16 - HG2 GLU 15 OK 38 99 - 38 - 4.0/5447=6, 1930/1.8=5...(16) HB2 GLN 16 - HG2 GLU 15 OK 38 99 - 38 - 4.0/5447=6, 1930/1.8=5...(16) HG3 GLU 69 - HG2 GLU 15 OK 21 100 - 21 - 1.8/1925=4, 1930/1.8=3...(7) HB2 LEU 101 - HG2 GLU 15 OK 12 95 - 12 - 1.8/6318=2, 1930/1.8=1, ~6321=1 HB2 ARG 57 - HG2 GLU 15 lone 7 92 - 8 - 3.0/6318=1 HB2 LEU 114 - HG2 GLU 15 lone 5 100 - 5 - HG2 GLU 64 - HG2 GLU 15 lone 5 92 - 5 - HB ILE 63 - HG2 GLU 15 lone 5 76 - 6 - 4.0/5447=2 HB3 GLU 38 - HG2 GLU 15 lone 4 65 - 7 - HG LEU 21 - HG2 GLU 15 lone 4 100 - 4 - HB2 GLN 105 - HG2 GLU 15 lone 3 97 - 3 - Peak 1925 from cnoeabs.peaks (2.14, 2.37, 36.48 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 15 + HG2 GLU 15 OK 100 100 - 100 - 3.0=100 HG2 GLU 69 - HG2 GLU 15 OK 21 96 - 22 - 1931/1.8=4, 1913/3.0=4...(8) HB2 PRO 30 - HG2 GLU 15 OK 20 100 - 20 - 1931/1.8=4, 1913/3.0=3...(7) HB VAL 115 - HG2 GLU 15 OK 16 100 - 16 - 1931/1.8=3, 1913/3.0=3...(7) HG12 ILE 80 - HG2 GLU 15 OK 11 68 - 17 - 1931/1.8=2, 1913/3.0=2...(7) Peak 1926 from cnoeabs.peaks (2.37, 2.37, 36.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 15 + HG2 GLU 15 OK 100 100 - 100 Peak 1927 from cnoeabs.peaks (2.25, 2.37, 36.48 ppm; 2.52 A): 1 out of 13 assignments used, quality = 1.00: * HG3 GLU 15 + HG2 GLU 15 OK 100 100 - 100 - 1.8=100 HB2 PRO 70 - HG2 GLU 15 OK 32 99 - 33 - 1915/3.0=4, 1.8/1924=3...(15) HB3 LEU 117 - HG2 GLU 15 lone 6 87 - 7 - HG3 GLU 38 - HG2 GLU 15 lone 5 97 - 5 - HG2 GLU 38 - HG2 GLU 15 lone 5 97 - 5 - HG2 GLU 56 - HG2 GLU 15 lone 4 100 - 4 - HG3 GLU 64 - HG2 GLU 15 lone 3 93 - 3 - HB2 PRO 68 - HG2 GLU 15 lone 2 89 - 2 - HG2 GLU 94 - HG2 GLU 15 lone 1 96 - 1 - HG3 GLU 28 - HG2 GLU 15 lone 1 85 - 1 - HB2 CYS 87 - HG2 GLU 15 lone 1 87 - 1 - HG2 GLU 28 - HG2 GLU 15 lone 1 81 - 1 - HG3 GLU 94 - HG2 GLU 15 lone 1 87 - 1 - Peak 1928 from cnoeabs.peaks (8.77, 2.25, 36.48 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.95: * H GLU 15 + HG3 GLU 15 OK 94 100 - 94 - 4.6=65, 1922/1.8=31...(13) H ASN 99 + HG3 GLU 15 OK 15 89 - 16 - 1922/1.8=5, 1910/3.0=4...(4) H ARG 85 - HG3 GLU 15 poor 8 76 - 11 - 1922/1.8=2, 1910/3.0=2...(4) H THR 23 - HG3 GLU 15 lone 6 71 - 9 - 1922/1.8=2, 1910/3.0=2...(4) Peak 1929 from cnoeabs.peaks (3.85, 2.25, 36.48 ppm; 3.63 A): 3 out of 10 assignments used, quality = 0.94: * HA GLU 15 + HG3 GLU 15 OK 91 100 - 91 - 4.1=70, 3.0/1928=19...(11) HA THR 19 + HG3 GLU 15 OK 28 99 - 28 - 1923/1.8=6, 1911/3.0=5...(8) HA THR 116 + HG3 GLU 15 OK 11 83 - 14 - 1923/1.8=3, 1911/3.0=2...(5) HA LEU 77 - HG3 GLU 15 lone 8 96 - 8 - 8340/3.0=2, 1923/1.8=2...(4) HB2 SER 13 - HG3 GLU 15 lone 7 81 - 9 - 4.5/6301=1, 1911/3.0=1...(5) HA LYS 119 - HG3 GLU 15 lone 6 89 - 7 - 1923/1.8=1, ~606=1, 1911/3.0=1 HA THR 33 - HG3 GLU 15 lone 5 97 - 5 - 1923/1.8=1 HB THR 33 - HG3 GLU 15 lone 5 96 - 5 - 1923/1.8=1 HA3 GLY 104 - HG3 GLU 15 lone 5 99 - 5 - 1923/1.8=1, ~514=1 HB2 SER 35 - HG3 GLU 15 lone 3 99 - 3 - Peak 1930 from cnoeabs.peaks (2.09, 2.25, 36.48 ppm; 2.73 A): 4 out of 13 assignments used, quality = 0.94: * HB2 GLU 15 + HG3 GLU 15 OK 83 100 - 83 - 3.0=77, 3.0/1929=8...(7) HB3 PRO 70 + HG3 GLU 15 OK 35 89 - 40 - 3818=5, 2.3/1932=5...(17) HB3 GLN 16 + HG3 GLU 15 OK 28 99 - 28 - 4.0/5448=5, 3.0/8191=4...(12) HB2 GLN 16 + HG3 GLU 15 OK 27 99 - 28 - 4.0/5448=5, 3.0/8191=4...(12) HG3 GLU 69 - HG3 GLU 15 OK 16 100 - 16 - 1.8/1931=3, 3787/3.0=2...(6) HB2 LEU 101 - HG3 GLU 15 lone 8 95 - 8 - 1.8/6321=1, 1924/1.8=1 HB2 ARG 57 - HG3 GLU 15 lone 5 92 - 6 - HG2 GLU 64 - HG3 GLU 15 lone 4 92 - 4 - HB ILE 63 - HG3 GLU 15 lone 4 76 - 5 - 4.0/5448=1 HB2 LEU 114 - HG3 GLU 15 lone 3 100 - 3 - HB3 GLU 38 - HG3 GLU 15 lone 3 65 - 4 - HG LEU 21 - HG3 GLU 15 lone 2 100 - 2 - HB2 GLN 105 - HG3 GLU 15 lone 2 97 - 2 - Peak 1931 from cnoeabs.peaks (2.14, 2.25, 36.48 ppm; 3.26 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 15 + HG3 GLU 15 OK 100 100 - 100 - 3.0=100 HG2 GLU 69 - HG3 GLU 15 OK 21 96 - 22 - 1925/1.8=4, 1913/3.0=4...(9) HB2 PRO 30 - HG3 GLU 15 OK 20 100 - 20 - 1925/1.8=4, 1913/3.0=3...(8) HB VAL 115 - HG3 GLU 15 OK 15 100 - 15 - 1925/1.8=3, 1913/3.0=3...(7) HG12 ILE 80 - HG3 GLU 15 OK 12 68 - 17 - 1925/1.8=2, 1921=2...(7) Peak 1932 from cnoeabs.peaks (2.37, 2.25, 36.48 ppm; 2.53 A): 1 out of 9 assignments used, quality = 1.00: * HG2 GLU 15 + HG3 GLU 15 OK 100 100 - 100 - 1.8=100 HG2 PRO 70 - HG3 GLU 15 OK 26 85 - 30 - 2.3/1930=4, 1.8/3832=3...(17) HB VAL 18 - HG3 GLU 15 OK 12 97 - 12 - 1908/4.1=2, 1914/3.0=2...(5) HG3 GLN 16 - HG3 GLU 15 OK 11 60 - 19 - 4.9/5448=3, 4.0/8191=3...(6) HB2 GLN 103 - HG3 GLU 15 lone 4 100 - 4 - HB3 GLU 82 - HG3 GLU 15 lone 4 63 - 6 - 3.7/5448=1 HB2 GLU 82 - HG3 GLU 15 lone 4 63 - 6 - 3.7/5448=1 HB3 ASN 118 - HG3 GLU 15 lone 2 92 - 2 - HG2 MET 11 - HG3 GLU 15 lone 2 97 - 2 - Peak 1933 from cnoeabs.peaks (2.25, 2.25, 36.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 15 + HG3 GLU 15 OK 100 100 - 100 Peak 1934 from cnoeabs.peaks (8.45, 4.03, 58.89 ppm; 3.76 A): 1 out of 10 assignments used, quality = 1.00: * H GLN 16 + HA GLN 16 OK 100 100 - 100 - 3.0=100 H ILE 63 - HA GLN 16 OK 15 96 - 15 - 1966/4.0=3, 1958/4.0=3...(6) H GLU 82 - HA GLN 16 OK 12 100 - 11 - 1966/4.0=2, 34/3.6=2...(6) H TYR 102 - HA GLN 16 OK 10 60 - 17 - 1279=2, 4.9/7701=2...(5) H TYR 102 - HA LYS 109 poor 6 24 - 27 - 4.5/4608=4, 4.0/4699=4...(11) H GLN 16 - HA LYS 109 lone 3 50 - 7 - 811=2 H LEU 51 - HA GLN 16 lone 2 65 - 3 - H GLU 82 - HA LYS 109 lone 1 50 - 2 - H ILE 63 - HA LYS 109 lone 1 45 - 2 - H LEU 51 - HA LYS 109 lone 0 26 - 1 - Peak 1935 from cnoeabs.peaks (4.03, 4.03, 58.89 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA GLN 16 + HA GLN 16 OK 100 100 - 100 HA LYS 109 - HA LYS 109 OK 36 36 - 100 Peak 1936 from cnoeabs.peaks (2.08, 4.03, 58.89 ppm; 3.15 A): 3 out of 30 assignments used, quality = 1.00: * HB2 GLN 16 + HA GLN 16 OK 100 100 - 100 - 3.0=100 HB3 GLN 16 + HA GLN 16 OK 100 100 - 100 - 3.0=100 HB2 GLU 15 + HA GLN 16 OK 47 99 - 48 - 5445/3.0=10, ~31=7...(14) HB2 GLN 105 - HA GLN 16 OK 16 100 - 16 - 3.0/1938=3, 3.0/1938=3...(4) HB ILE 63 - HA GLN 16 OK 10 92 - 11 - 3505/3.0=2, 4.0/1934=1, ~3512=1 HB2 LEU 114 - HA GLN 16 lone 9 100 - 9 - 5063/3.6=1 HB2 LEU 101 - HA GLN 16 lone 7 81 - 9 - 3.1/7701=2 HG3 PRO 37 - HA GLN 16 poor 7 60 - 12 - 1.8/2691=2, 2.3/2656=1 HG LEU 21 - HA GLN 16 lone 6 100 - 6 - 37/3.6=1 HB2 ARG 57 - HA GLN 16 lone 6 99 - 6 - HB3 PRO 70 - HA GLN 16 lone 6 71 - 8 - ~33=2, 30/3.0=1 HG3 GLU 69 - HA GLN 16 lone 5 96 - 6 - ~31=1 HB3 GLU 38 - HA GLN 16 lone 5 85 - 5 - HG3 PRO 37 - HA LYS 109 poor 4 24 - 15 - 2.3/2656=2, 1.8/2691=2...(7) HB3 ARG 81 - HA GLN 16 lone 3 65 - 5 - 4.3/1934=1 HG2 GLU 64 - HA GLN 16 lone 3 99 - 3 - HB2 ARG 57 - HA LYS 109 lone 3 48 - 6 - 4.2/8573=2, 3.7/1637=1 HB2 GLN 16 - HA LYS 109 lone 2 50 - 5 - HB3 GLN 16 - HA LYS 109 lone 2 50 - 5 - HB2 LEU 101 - HA LYS 109 lone 2 34 - 7 - ~7724=2, 4.6/1279=2, 3.1/7701=1 HB2 LEU 114 - HA LYS 109 lone 2 50 - 4 - HB3 GLU 38 - HA LYS 109 lone 2 37 - 4 - 3.8/151=1 HG LEU 21 - HA LYS 109 lone 1 50 - 2 - HB2 GLU 15 - HA LYS 109 lone 1 48 - 2 - HG2 GLU 64 - HA LYS 109 lone 1 48 - 1 - HG3 GLU 69 - HA LYS 109 lone 1 45 - 2 - HB ILE 63 - HA LYS 109 lone 1 42 - 2 - HB3 ARG 81 - HA LYS 109 lone 0 26 - 2 - HB3 PRO 70 - HA LYS 109 lone 0 29 - 1 - HB2 GLN 105 - HA LYS 109 lone 0 50 - 1 - Peak 1937 from cnoeabs.peaks (2.08, 4.03, 58.89 ppm; 3.15 A): 3 out of 28 assignments used, quality = 1.00: * HB3 GLN 16 + HA GLN 16 OK 100 100 - 100 - 3.0=100 HB2 GLN 16 + HA GLN 16 OK 100 100 - 100 - 3.0=100 HB2 GLU 15 + HA GLN 16 OK 47 99 - 48 - 5445/3.0=10, ~31=7...(14) HB2 GLN 105 - HA GLN 16 OK 16 100 - 16 - 3.0/1938=3, 3.0/1938=3...(4) HB ILE 63 - HA GLN 16 OK 10 90 - 11 - 3505/3.0=2, 4.0/1934=1, ~3512=1 HB2 LEU 114 - HA GLN 16 lone 9 100 - 9 - 5063/3.6=1 HB2 LEU 101 - HA GLN 16 lone 8 83 - 9 - 3.1/7701=2 HG LEU 21 - HA GLN 16 lone 6 100 - 6 - 37/3.6=1 HB2 ARG 57 - HA GLN 16 lone 6 99 - 6 - HB3 PRO 70 - HA GLN 16 lone 6 73 - 8 - ~33=2, 30/3.0=1 HG3 GLU 69 - HA GLN 16 lone 5 97 - 6 - ~31=1 HB3 GLU 38 - HA GLN 16 lone 4 83 - 5 - HG2 GLU 64 - HA GLN 16 lone 3 99 - 3 - HB3 ARG 81 - HA GLN 16 lone 3 63 - 5 - 4.3/1934=1 HB2 ARG 57 - HA LYS 109 lone 3 48 - 6 - 4.2/8573=2, 3.7/1637=1 HB2 GLN 16 - HA LYS 109 lone 2 50 - 5 - HB3 GLN 16 - HA LYS 109 lone 2 50 - 5 - HB2 LEU 101 - HA LYS 109 lone 2 36 - 7 - ~7724=2, 4.6/1279=2, 3.1/7701=1 HB2 LEU 114 - HA LYS 109 lone 2 50 - 4 - HB3 GLU 38 - HA LYS 109 lone 2 36 - 4 - 3.8/151=1 HG LEU 21 - HA LYS 109 lone 1 50 - 2 - HB2 GLU 15 - HA LYS 109 lone 1 48 - 2 - HG2 GLU 64 - HA LYS 109 lone 1 48 - 1 - HG3 GLU 69 - HA LYS 109 lone 1 45 - 2 - HB ILE 63 - HA LYS 109 lone 1 40 - 2 - HB3 PRO 70 - HA LYS 109 lone 0 30 - 2 - HB3 ARG 81 - HA LYS 109 lone 0 25 - 2 - HB2 GLN 105 - HA LYS 109 lone 0 50 - 1 - Peak 1938 from cnoeabs.peaks (2.30, 4.03, 58.89 ppm; 3.56 A): 3 out of 14 assignments used, quality = 0.94: * HG2 GLN 16 + HA GLN 16 OK 90 100 - 90 - 4.0=70, 1.8/1939=21...(14) HG2 GLN 105 + HA GLN 16 OK 23 78 - 29 - 1959=3, 814/3.0=3...(14) HG3 GLN 105 + HA GLN 16 OK 22 76 - 29 - 1959=3, 814/3.0=3...(14) HG3 GLU 56 - HA GLN 16 lone 9 97 - 9 - 8303/3.0=2, ~33=1 HB3 PRO 60 - HA GLN 16 lone 5 92 - 5 - HB VAL 120 - HA GLN 16 lone 4 99 - 4 - HG2 GLN 16 - HA LYS 109 lone 2 50 - 4 - HB2 LEU 54 - HA GLN 16 lone 2 68 - 3 - HB VAL 120 - HA LYS 109 lone 2 48 - 4 - HB3 PRO 60 - HA LYS 109 lone 1 42 - 3 - HG3 GLU 56 - HA LYS 109 lone 1 45 - 2 - HB2 LEU 54 - HA LYS 109 lone 1 28 - 2 - HG2 GLN 105 - HA LYS 109 lone 0 33 - 1 - HG3 GLN 105 - HA LYS 109 lone 0 32 - 1 - Peak 1939 from cnoeabs.peaks (2.40, 4.03, 58.89 ppm; 3.78 A): 2 out of 8 assignments used, quality = 0.97: * HG3 GLN 16 + HA GLN 16 OK 95 100 - 95 - 4.0=84, 1.8/1938=22...(15) HG2 GLU 15 + HA GLN 16 OK 37 60 - 63 - 1.8/8191=10, 815/3.0=9...(21) HB2 GLN 103 - HA LYS 109 poor 6 29 - 22 - 3.0/7772=5, ~5845=4...(7) HB2 GLN 103 - HA GLN 16 lone 5 71 - 7 - 3.0/7772=1, 815/3.0=1, 4.0/507=1 HG2 MET 11 - HA GLN 16 lone 5 85 - 6 - 815/3.0=1 HG3 GLN 16 - HA LYS 109 lone 2 50 - 5 - 1967=1 HG2 MET 11 - HA LYS 109 lone 1 37 - 2 - HG2 GLU 15 - HA LYS 109 lone 1 24 - 3 - Peak 1942 from cnoeabs.peaks (8.45, 2.08, 28.51 ppm; 3.75 A): 2 out of 10 assignments used, quality = 0.99: * H GLN 16 + HB2 GLN 16 OK 93 100 - 93 - 4.0=80, 1966/3.0=19...(13) H GLN 16 + HB3 GLN 16 OK 93 100 - 93 - 4.0=80, 1966/3.0=19...(13) H ILE 63 - HB2 GLN 16 OK 19 96 - 20 - 1966/3.0=3, 1958/3.0=3...(7) H ILE 63 - HB3 GLN 16 OK 19 96 - 20 - 1966/3.0=3, 1958/3.0=3...(7) H GLU 82 - HB2 GLN 16 OK 12 100 - 12 - 1966/3.0=2, 1934/3.0=2...(5) H GLU 82 - HB3 GLN 16 OK 12 100 - 12 - 1966/3.0=2, 1934/3.0=2...(5) H TYR 102 - HB3 GLN 16 poor 9 60 - 15 - 1934/3.0=2, 1966/3.0=2...(6) H TYR 102 - HB2 GLN 16 poor 9 60 - 15 - 1934/3.0=2, 1966/3.0=2...(6) H LEU 51 - HB2 GLN 16 lone 2 65 - 3 - H LEU 51 - HB3 GLN 16 lone 2 65 - 3 - Peak 1943 from cnoeabs.peaks (4.03, 2.08, 28.51 ppm; 3.61 A): 2 out of 16 assignments used, quality = 1.00: * HA GLN 16 + HB2 GLN 16 OK 100 100 - 100 - 3.0=100 HA GLN 16 + HB3 GLN 16 OK 100 100 - 100 - 3.0=100 HA ALA 14 - HB2 GLN 16 OK 40 97 - 41 - 5951/4.1=9, 1534/4.0=5...(14) HA ALA 14 - HB3 GLN 16 OK 40 97 - 41 - 5951/4.1=9, 1534/4.0=5...(14) HD3 PRO 37 - HB2 GLN 16 OK 15 97 - 15 - 1967/3.0=2, 811/4.0=2 HD3 PRO 37 - HB3 GLN 16 OK 15 97 - 15 - 1967/3.0=2, 811/4.0=2 HA TYR 102 - HB2 GLN 16 OK 13 93 - 13 - 1967/3.0=2, 1959/3.0=1...(4) HA TYR 102 - HB3 GLN 16 OK 13 93 - 13 - 1967/3.0=2, 1959/3.0=1...(4) HA LYS 109 - HB2 GLN 16 lone 6 83 - 7 - 7837/4.0=1 HA LYS 109 - HB3 GLN 16 lone 6 83 - 7 - 7837/4.0=1 HA SER 112 - HB2 GLN 16 lone 5 68 - 7 - HA SER 112 - HB3 GLN 16 lone 5 68 - 7 - HA PHE 107 - HB3 GLN 16 lone 2 68 - 4 - HA PHE 107 - HB2 GLN 16 lone 2 68 - 4 - HA LEU 55 - HB2 GLN 16 lone 2 73 - 3 - HA LEU 55 - HB3 GLN 16 lone 2 73 - 3 - Peak 1944 from cnoeabs.peaks (2.08, 2.08, 28.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 16 + HB2 GLN 16 OK 100 100 - 100 HB3 GLN 16 + HB3 GLN 16 OK 100 100 - 100 Peak 1945 from cnoeabs.peaks (2.08, 2.08, 28.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 16 + HB3 GLN 16 OK 100 100 - 100 HB2 GLN 16 + HB2 GLN 16 OK 100 100 - 100 Reference assignment not found: HB3 GLN 16 - HB2 GLN 16 Peak 1946 from cnoeabs.peaks (2.30, 2.08, 28.51 ppm; 3.42 A): 2 out of 14 assignments used, quality = 1.00: * HG2 GLN 16 + HB2 GLN 16 OK 100 100 - 100 - 3.0=100 HG2 GLN 16 + HB3 GLN 16 OK 100 100 - 100 - 3.0=100 HG2 GLN 105 - HB2 GLN 16 OK 28 78 - 36 - 1970/3.0=4, 1938/3.0=4...(17) HG2 GLN 105 - HB3 GLN 16 OK 28 78 - 36 - 1970/3.0=4, 1938/3.0=4...(17) HG3 GLN 105 - HB2 GLN 16 OK 27 76 - 35 - 1970/3.0=4, 1938/3.0=3...(17) HG3 GLN 105 - HB3 GLN 16 OK 27 76 - 35 - 1970/3.0=4, 1938/3.0=3...(17) HG3 GLU 56 - HB2 GLN 16 lone 8 97 - 8 - 8303/4.0=2, 1938/3.0=1 HG3 GLU 56 - HB3 GLN 16 lone 8 97 - 8 - 8303/4.0=2, 1938/3.0=1 HB3 PRO 60 - HB2 GLN 16 lone 5 92 - 6 - HB3 PRO 60 - HB3 GLN 16 lone 5 92 - 6 - HB VAL 120 - HB2 GLN 16 lone 5 99 - 5 - HB VAL 120 - HB3 GLN 16 lone 5 99 - 5 - HB2 LEU 54 - HB2 GLN 16 lone 3 68 - 4 - HB2 LEU 54 - HB3 GLN 16 lone 3 68 - 4 - Peak 1947 from cnoeabs.peaks (2.40, 2.08, 28.51 ppm; 3.62 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLN 16 + HB2 GLN 16 OK 100 100 - 100 - 3.0=100 HG3 GLN 16 + HB3 GLN 16 OK 100 100 - 100 - 3.0=100 HG2 GLU 15 - HB2 GLN 16 OK 29 60 - 48 - 1939/3.0=6, 815/4.0=6...(20) HG2 GLU 15 - HB3 GLN 16 OK 29 60 - 48 - 1939/3.0=6, 815/4.0=6...(20) HG2 MET 11 - HB2 GLN 16 lone 5 85 - 6 - HG2 MET 11 - HB3 GLN 16 lone 5 85 - 6 - HB2 GLN 103 - HB2 GLN 16 lone 4 71 - 6 - HB2 GLN 103 - HB3 GLN 16 lone 4 71 - 6 - Peak 1950 from cnoeabs.peaks (8.45, 2.08, 28.51 ppm; 3.75 A): 2 out of 10 assignments used, quality = 0.99: * H GLN 16 + HB3 GLN 16 OK 93 100 - 93 - 4.0=80, 1966/3.0=19...(13) H GLN 16 + HB2 GLN 16 OK 93 100 - 93 - 4.0=80, 1966/3.0=19...(13) H ILE 63 - HB2 GLN 16 OK 19 96 - 20 - 1966/3.0=3, 1958/3.0=3...(7) H ILE 63 - HB3 GLN 16 OK 19 96 - 20 - 1966/3.0=3, 1958/3.0=3...(7) H GLU 82 - HB2 GLN 16 OK 12 100 - 12 - 1966/3.0=2, 1934/3.0=2...(5) H GLU 82 - HB3 GLN 16 OK 12 100 - 12 - 1966/3.0=2, 1934/3.0=2...(5) H TYR 102 - HB3 GLN 16 poor 9 60 - 15 - 1934/3.0=2, 1966/3.0=2...(6) H TYR 102 - HB2 GLN 16 poor 9 60 - 15 - 1934/3.0=2, 1966/3.0=2...(6) H LEU 51 - HB2 GLN 16 lone 2 65 - 3 - H LEU 51 - HB3 GLN 16 lone 2 65 - 3 - Peak 1951 from cnoeabs.peaks (4.03, 2.08, 28.51 ppm; 3.61 A): 2 out of 16 assignments used, quality = 1.00: * HA GLN 16 + HB3 GLN 16 OK 100 100 - 100 - 3.0=100 HA GLN 16 + HB2 GLN 16 OK 100 100 - 100 - 3.0=100 HA ALA 14 - HB2 GLN 16 OK 40 97 - 41 - 5951/4.1=9, 1534/4.0=5...(14) HA ALA 14 - HB3 GLN 16 OK 40 97 - 41 - 5951/4.1=9, 1534/4.0=5...(14) HD3 PRO 37 - HB3 GLN 16 OK 15 97 - 15 - 1967/3.0=2, 811/4.0=2 HD3 PRO 37 - HB2 GLN 16 OK 15 97 - 15 - 1967/3.0=2, 811/4.0=2 HA TYR 102 - HB2 GLN 16 OK 13 93 - 13 - 1967/3.0=2, 1959/3.0=1...(4) HA TYR 102 - HB3 GLN 16 OK 13 93 - 13 - 1967/3.0=2, 1959/3.0=1...(4) HA LYS 109 - HB2 GLN 16 lone 6 83 - 7 - 7837/4.0=1 HA LYS 109 - HB3 GLN 16 lone 6 83 - 7 - 7837/4.0=1 HA SER 112 - HB2 GLN 16 lone 5 68 - 7 - HA SER 112 - HB3 GLN 16 lone 5 68 - 7 - HA PHE 107 - HB3 GLN 16 lone 3 68 - 4 - HA PHE 107 - HB2 GLN 16 lone 2 68 - 4 - HA LEU 55 - HB2 GLN 16 lone 2 73 - 3 - HA LEU 55 - HB3 GLN 16 lone 2 73 - 3 - Peak 1952 from cnoeabs.peaks (2.08, 2.08, 28.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 16 + HB3 GLN 16 OK 100 100 - 100 HB2 GLN 16 + HB2 GLN 16 OK 100 100 - 100 Reference assignment not found: HB2 GLN 16 - HB3 GLN 16 Peak 1953 from cnoeabs.peaks (2.08, 2.08, 28.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 16 + HB3 GLN 16 OK 100 100 - 100 HB2 GLN 16 + HB2 GLN 16 OK 100 100 - 100 Peak 1954 from cnoeabs.peaks (2.30, 2.08, 28.51 ppm; 3.42 A): 2 out of 14 assignments used, quality = 1.00: * HG2 GLN 16 + HB3 GLN 16 OK 100 100 - 100 - 3.0=100 HG2 GLN 16 + HB2 GLN 16 OK 100 100 - 100 - 3.0=100 HG2 GLN 105 - HB3 GLN 16 OK 28 78 - 36 - 1970/3.0=4, 1938/3.0=4...(17) HG2 GLN 105 - HB2 GLN 16 OK 28 78 - 36 - 1970/3.0=4, 1938/3.0=4...(17) HG3 GLN 105 - HB3 GLN 16 OK 27 76 - 35 - 1970/3.0=4, 1938/3.0=3...(17) HG3 GLN 105 - HB2 GLN 16 OK 27 76 - 35 - 1970/3.0=4, 1938/3.0=3...(17) HG3 GLU 56 - HB2 GLN 16 lone 8 97 - 8 - 8303/4.0=2, 1938/3.0=1 HG3 GLU 56 - HB3 GLN 16 lone 8 97 - 8 - 8303/4.0=2, 1938/3.0=1 HB3 PRO 60 - HB2 GLN 16 lone 5 92 - 6 - HB3 PRO 60 - HB3 GLN 16 lone 5 92 - 6 - HB VAL 120 - HB2 GLN 16 lone 5 99 - 5 - HB VAL 120 - HB3 GLN 16 lone 5 99 - 5 - HB2 LEU 54 - HB2 GLN 16 lone 3 68 - 4 - HB2 LEU 54 - HB3 GLN 16 lone 3 68 - 4 - Peak 1955 from cnoeabs.peaks (2.40, 2.08, 28.51 ppm; 3.62 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLN 16 + HB3 GLN 16 OK 100 100 - 100 - 3.0=100 HG3 GLN 16 + HB2 GLN 16 OK 100 100 - 100 - 3.0=100 HG2 GLU 15 - HB3 GLN 16 OK 29 60 - 48 - 1939/3.0=6, 815/4.0=6...(20) HG2 GLU 15 - HB2 GLN 16 OK 29 60 - 48 - 1939/3.0=6, 815/4.0=6...(20) HG2 MET 11 - HB3 GLN 16 lone 5 85 - 6 - HG2 MET 11 - HB2 GLN 16 lone 5 85 - 6 - HB2 GLN 103 - HB3 GLN 16 lone 4 71 - 6 - HB2 GLN 103 - HB2 GLN 16 lone 4 71 - 6 - Peak 1958 from cnoeabs.peaks (8.45, 2.30, 33.89 ppm; 4.01 A): 5 out of 15 assignments used, quality = 0.92: * H GLN 16 + HG2 GLN 16 OK 86 100 - 86 - 4.9=55, 1966/1.8=28...(9) H ILE 63 + HG2 GLN 16 OK 19 96 - 20 - 1966/1.8=5, 7134=4...(6) H GLN 16 + HG2 GLN 105 OK 12 40 - 30 - 814=6, 3.0/1938=5...(12) H GLN 16 + HG3 GLN 105 OK 11 39 - 30 - 814=6, 814/1.8=5...(12) H GLU 82 + HG2 GLN 16 OK 11 100 - 11 - 1966/1.8=3, 1934/4.0=2...(5) H TYR 102 - HG2 GLN 16 poor 7 60 - 11 - 1966/1.8=2, 1934/4.0=2...(6) H LEU 51 - HG2 GLN 16 lone 3 65 - 4 - H ILE 63 - HG2 GLN 105 lone 2 35 - 7 - 7134=1, 7134/1.8=1 H ILE 63 - HG3 GLN 105 lone 2 34 - 7 - 7134/1.8=1, 7134=1 H GLU 82 - HG2 GLN 105 lone 1 40 - 1 - H GLU 82 - HG3 GLN 105 lone 1 38 - 1 - H TYR 102 - HG2 GLN 105 lone 0 19 - 2 - H TYR 102 - HG3 GLN 105 lone 0 18 - 2 - H LEU 51 - HG2 GLN 105 lone 0 21 - 1 - H LEU 51 - HG3 GLN 105 lone 0 20 - 1 - Peak 1959 from cnoeabs.peaks (4.03, 2.30, 33.89 ppm; 3.80 A): 1 out of 24 assignments used, quality = 0.96: * HA GLN 16 + HG2 GLN 16 OK 96 100 - 96 - 4.0=85, 1939/1.8=23...(14) HA ALA 14 - HG2 GLN 16 OK 28 97 - 29 - 5951/5.0=8, 1967/1.8=7...(8) HA GLN 16 - HG2 GLN 105 OK 15 40 - 37 - 1938=7, 1938/1.8=5...(16) HA GLN 16 - HG3 GLN 105 OK 14 39 - 37 - 1938=7, 1938/1.8=6...(16) HD3 PRO 37 - HG2 GLN 16 OK 11 97 - 11 - 1967/1.8=2, 811/4.9=1...(4) HA TYR 102 - HG2 GLN 16 poor 10 93 - 10 - 1967/1.8=2, 2.9/1958=1...(6) HA LYS 109 - HG2 GLN 16 lone 4 83 - 5 - 7837/4.9=1, 1967/1.8=1 HA LEU 55 - HG2 GLN 16 lone 2 73 - 3 - HA SER 112 - HG2 GLN 16 lone 2 68 - 3 - HA PHE 107 - HG2 GLN 16 lone 1 68 - 2 - HA ALA 14 - HG2 GLN 105 lone 1 36 - 3 - HA ALA 14 - HG3 GLN 105 lone 1 35 - 2 - HD3 PRO 37 - HG2 GLN 105 lone 1 36 - 1 - HD3 PRO 37 - HG3 GLN 105 lone 1 35 - 1 - HA TYR 102 - HG2 GLN 105 lone 0 34 - 1 - HA TYR 102 - HG3 GLN 105 lone 0 33 - 1 - HA LEU 55 - HG2 GLN 105 lone 0 24 - 2 - HA LEU 55 - HG3 GLN 105 lone 0 23 - 2 - HA LYS 109 - HG2 GLN 105 lone 0 28 - 1 - HA LYS 109 - HG3 GLN 105 lone 0 27 - 1 - HA PHE 107 - HG2 GLN 105 lone 0 22 - 1 - HA PHE 107 - HG3 GLN 105 lone 0 21 - 1 - HA SER 112 - HG2 GLN 105 lone 0 22 - 1 - HA SER 112 - HG3 GLN 105 lone 0 21 - 1 - Peak 1960 from cnoeabs.peaks (2.08, 2.30, 33.89 ppm; 2.89 A): 2 out of 45 assignments used, quality = 0.99: * HB2 GLN 16 + HG2 GLN 16 OK 92 100 - 92 - 3.0=88, 3.0/1938=10...(6) HB3 GLN 16 + HG2 GLN 16 OK 92 100 - 92 - 3.0=88, 3.0/1938=10...(6) HB2 GLN 105 - HG2 GLN 105 OK 37 40 - 93 - 3.0=88, 4775/1.8=14...(12) HB2 GLN 105 - HG3 GLN 105 OK 36 39 - 93 - 3.0=88, 4775/1.8=14...(12) HB2 GLU 15 - HG2 GLN 16 OK 20 99 - 21 - 4.6/1958=5, 1969/1.8=3...(5) HB2 GLN 105 - HG2 GLN 16 OK 16 100 - 16 - 1969/1.8=2, 4774=2...(6) HB2 GLN 16 - HG2 GLN 105 OK 11 40 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB3 GLN 16 - HG2 GLN 105 OK 11 40 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB2 GLN 16 - HG3 GLN 105 OK 10 39 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB3 GLN 16 - HG3 GLN 105 OK 10 39 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB2 ARG 57 - HG2 GLN 16 lone 10 99 - 10 - ~7046=3, 1969/1.8=1, 730/3.5=1 HB2 LEU 114 - HG2 GLN 16 lone 7 100 - 7 - ~6326=1 HB ILE 63 - HG2 GLN 16 lone 5 92 - 6 - 4.0/1958=1 HG3 GLU 69 - HG2 GLN 105 poor 5 35 - 13 - 3785/3.0=1, ~3779=1...(4) HG3 GLU 69 - HG3 GLN 105 poor 4 34 - 13 - 3785/3.0=1, ~3779=1...(4) HG3 PRO 37 - HG2 GLN 16 lone 4 60 - 6 - 2.3/1959=1 HG LEU 21 - HG2 GLN 16 lone 3 100 - 3 - HB2 ARG 57 - HG2 GLN 105 lone 3 39 - 8 - HB2 ARG 57 - HG3 GLN 105 lone 3 37 - 8 - HB2 LEU 101 - HG2 GLN 16 lone 3 81 - 3 - HG3 GLU 69 - HG2 GLN 16 lone 2 96 - 2 - HB3 PRO 70 - HG2 GLN 16 lone 2 71 - 2 - HB3 ARG 81 - HG2 GLN 16 lone 2 65 - 2 - HB ILE 63 - HG2 GLN 105 lone 2 33 - 5 - HB3 PRO 70 - HG2 GLN 105 lone 1 23 - 7 - 8319/4.1=1 HB ILE 63 - HG3 GLN 105 lone 1 32 - 4 - HB3 PRO 70 - HG3 GLN 105 lone 1 22 - 7 - 8319/4.1=1 HB3 GLU 38 - HG2 GLN 16 lone 1 85 - 2 - HB2 GLU 15 - HG2 GLN 105 lone 1 38 - 3 - 4.6/814=1 HG2 GLU 64 - HG2 GLN 16 lone 1 99 - 1 - HB2 GLU 15 - HG3 GLN 105 lone 1 37 - 3 - 4.6/814=1 HB2 LEU 114 - HG2 GLN 105 lone 1 40 - 2 - HB2 LEU 114 - HG3 GLN 105 lone 1 38 - 2 - HG LEU 21 - HG2 GLN 105 lone 1 40 - 2 - HG LEU 21 - HG3 GLN 105 lone 1 38 - 2 - HB3 GLU 38 - HG2 GLN 105 lone 1 29 - 2 - HB3 GLU 38 - HG3 GLN 105 lone 1 28 - 2 - HB2 LEU 101 - HG2 GLN 105 lone 0 27 - 1 - HB2 LEU 101 - HG3 GLN 105 lone 0 26 - 1 - HG2 GLU 64 - HG2 GLN 105 lone 0 39 - 1 - HG2 GLU 64 - HG3 GLN 105 lone 0 37 - 1 - HB3 ARG 81 - HG2 GLN 105 lone 0 21 - 1 - HB3 ARG 81 - HG3 GLN 105 lone 0 20 - 1 - HG3 PRO 37 - HG2 GLN 105 lone 0 19 - 1 - HG3 PRO 37 - HG3 GLN 105 lone 0 18 - 1 - Peak 1961 from cnoeabs.peaks (2.08, 2.30, 33.89 ppm; 2.89 A): 2 out of 42 assignments used, quality = 0.99: * HB3 GLN 16 + HG2 GLN 16 OK 92 100 - 92 - 3.0=88, 3.0/1938=10...(6) HB2 GLN 16 + HG2 GLN 16 OK 92 100 - 92 - 3.0=88, 3.0/1938=10...(6) HB2 GLN 105 - HG2 GLN 105 OK 37 40 - 93 - 3.0=88, 4775/1.8=14...(12) HB2 GLN 105 - HG3 GLN 105 OK 36 38 - 93 - 3.0=88, 4775/1.8=14...(12) HB2 GLU 15 - HG2 GLN 16 OK 20 99 - 21 - 4.6/1958=5, 1969/1.8=3...(5) HB2 GLN 105 - HG2 GLN 16 OK 16 100 - 16 - 1969/1.8=2, 4774=2...(6) HB3 GLN 16 - HG2 GLN 105 OK 11 40 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB2 GLN 16 - HG2 GLN 105 OK 11 40 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB3 GLN 16 - HG3 GLN 105 OK 10 39 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB2 GLN 16 - HG3 GLN 105 OK 10 39 - 27 - 3.0/1970=3, 3.0/1938=2...(12) HB2 ARG 57 - HG2 GLN 16 lone 10 99 - 10 - ~7046=3, 1969/1.8=1, 730/3.5=1 HB2 LEU 114 - HG2 GLN 16 lone 7 100 - 7 - ~6326=1 HB ILE 63 - HG2 GLN 16 lone 5 90 - 6 - 4.0/1958=1 HG3 GLU 69 - HG2 GLN 105 poor 5 36 - 13 - 3785/3.0=1, ~3779=1...(4) HG3 GLU 69 - HG3 GLN 105 poor 4 35 - 13 - 3785/3.0=1, ~3779=1...(4) HG LEU 21 - HG2 GLN 16 lone 3 100 - 3 - HB2 ARG 57 - HG2 GLN 105 lone 3 38 - 8 - HB2 ARG 57 - HG3 GLN 105 lone 3 37 - 8 - HB2 LEU 101 - HG2 GLN 16 lone 3 83 - 3 - HG3 GLU 69 - HG2 GLN 16 lone 2 97 - 2 - HB3 PRO 70 - HG2 GLN 16 lone 2 73 - 2 - HB3 PRO 70 - HG2 GLN 105 lone 2 24 - 7 - 8319/4.1=1 HB3 PRO 70 - HG3 GLN 105 lone 2 23 - 7 - 8319/4.1=1 HB ILE 63 - HG2 GLN 105 lone 1 32 - 5 - HB3 ARG 81 - HG2 GLN 16 lone 1 63 - 2 - HB ILE 63 - HG3 GLN 105 lone 1 31 - 4 - HB3 GLU 38 - HG2 GLN 16 lone 1 83 - 2 - HB2 GLU 15 - HG2 GLN 105 lone 1 39 - 3 - 4.6/814=1 HG2 GLU 64 - HG2 GLN 16 lone 1 99 - 1 - HB2 GLU 15 - HG3 GLN 105 lone 1 37 - 3 - 4.6/814=1 HB2 LEU 114 - HG2 GLN 105 lone 1 40 - 2 - HB2 LEU 114 - HG3 GLN 105 lone 1 39 - 2 - HG LEU 21 - HG2 GLN 105 lone 1 40 - 2 - HG LEU 21 - HG3 GLN 105 lone 1 38 - 2 - HB3 GLU 38 - HG2 GLN 105 lone 1 28 - 2 - HB3 GLU 38 - HG3 GLN 105 lone 1 27 - 2 - HB2 LEU 101 - HG2 GLN 105 lone 0 28 - 1 - HB2 LEU 101 - HG3 GLN 105 lone 0 27 - 1 - HG2 GLU 64 - HG2 GLN 105 lone 0 38 - 1 - HG2 GLU 64 - HG3 GLN 105 lone 0 37 - 1 - HB3 ARG 81 - HG2 GLN 105 lone 0 20 - 1 - HB3 ARG 81 - HG3 GLN 105 lone 0 19 - 1 - Peak 1962 from cnoeabs.peaks (2.30, 2.30, 33.89 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 16 + HG2 GLN 16 OK 100 100 - 100 HG2 GLN 105 - HG2 GLN 105 OK 26 26 - 100 HG3 GLN 105 - HG3 GLN 105 OK 24 24 - 100 Peak 1963 from cnoeabs.peaks (2.40, 2.30, 33.89 ppm; 2.53 A): 1 out of 12 assignments used, quality = 1.00: * HG3 GLN 16 + HG2 GLN 16 OK 100 100 - 100 - 1.8=100 HG2 GLU 15 - HG2 GLN 16 poor 9 60 - 16 - 1939/4.0=2, 815/4.9=2...(7) HG3 GLN 16 - HG2 GLN 105 poor 9 40 - 23 - 1970=6, 1970/1.8=3...(8) HG3 GLN 16 - HG3 GLN 105 poor 9 39 - 23 - 1970=5, 1970/1.8=3...(8) HG2 MET 11 - HG2 GLN 16 lone 2 85 - 3 - HB2 GLN 103 - HG2 GLN 16 lone 2 71 - 2 - HG2 MET 11 - HG2 GLN 105 lone 0 29 - 1 - HG2 MET 11 - HG3 GLN 105 lone 0 28 - 1 - HG2 GLU 15 - HG2 GLN 105 lone 0 19 - 1 - HG2 GLU 15 - HG3 GLN 105 lone 0 18 - 1 - HB2 GLN 103 - HG2 GLN 105 lone 0 23 - 1 - HB2 GLN 103 - HG3 GLN 105 lone 0 22 - 1 - Peak 1964 from cnoeabs.peaks (7.37, 2.30, 33.89 ppm; 4.18 A): 1 out of 9 assignments used, quality = 1.00: * HE21 GLN 16 + HG2 GLN 16 OK 100 100 - 100 - 3.5=100 HE21 GLN 16 - HG2 GLN 105 OK 19 40 - 47 - 723=8, 1.7/731=7...(17) HE21 GLN 16 - HG3 GLN 105 OK 18 39 - 47 - 723=8, 723/1.8=7...(17) H GLU 75 - HG2 GLN 16 lone 3 73 - 3 - H PHE 96 - HG2 GLN 16 lone 2 81 - 2 - H GLU 75 - HG2 GLN 105 lone 1 24 - 3 - 1132/3.0=1 H GLU 75 - HG3 GLN 105 lone 1 23 - 3 - 1132/3.0=1 H PHE 96 - HG2 GLN 105 lone 0 27 - 1 - H PHE 96 - HG3 GLN 105 lone 0 26 - 1 - Peak 1965 from cnoeabs.peaks (6.71, 2.30, 33.89 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 16 + HG2 GLN 16 OK 100 100 - 100 - 3.5=100 HE22 GLN 16 - HG2 GLN 105 OK 21 40 - 52 - 731=8, 1.7/723=8...(19) HE22 GLN 16 - HG3 GLN 105 OK 20 39 - 52 - 731=8, 731/1.8=8...(19) Peak 1966 from cnoeabs.peaks (8.45, 2.40, 33.89 ppm; 3.95 A): 3 out of 5 assignments used, quality = 0.88: * H GLN 16 + HG3 GLN 16 OK 84 100 - 84 - 4.9=52, 1958/1.8=20...(12) H ILE 63 + HG3 GLN 16 OK 14 96 - 15 - 1958/1.8=4, 1934/4.0=2...(5) H GLU 82 + HG3 GLN 16 OK 10 100 - 10 - 1958/1.8=3, 1934/4.0=2...(5) H TYR 102 - HG3 GLN 16 poor 7 60 - 11 - 2.9/1967=2, 1958/1.8=2...(6) H LEU 51 - HG3 GLN 16 lone 2 65 - 3 - Peak 1967 from cnoeabs.peaks (4.03, 2.40, 33.89 ppm; 3.87 A): 1 out of 8 assignments used, quality = 0.97: * HA GLN 16 + HG3 GLN 16 OK 97 100 - 97 - 4.0=90, 1938/1.8=23...(15) HA ALA 14 - HG3 GLN 16 OK 31 97 - 32 - 5951/5.0=8, 1959/1.8=6...(9) HD3 PRO 37 - HG3 GLN 16 OK 11 97 - 11 - 1959/1.8=2, 811/4.9=1...(4) HA TYR 102 - HG3 GLN 16 OK 10 93 - 11 - 1959/1.8=2, 2.9/1966=2...(5) HA LYS 109 - HG3 GLN 16 lone 4 83 - 5 - 7837/4.9=1 HA SER 112 - HG3 GLN 16 lone 2 68 - 3 - HA LEU 55 - HG3 GLN 16 lone 2 73 - 3 - HA PHE 107 - HG3 GLN 16 lone 1 68 - 2 - Peak 1968 from cnoeabs.peaks (2.08, 2.40, 33.89 ppm; 3.24 A): 2 out of 15 assignments used, quality = 1.00: * HB2 GLN 16 + HG3 GLN 16 OK 100 100 - 100 - 3.0=100 HB3 GLN 16 + HG3 GLN 16 OK 100 100 - 100 - 3.0=100 HB2 GLU 15 - HG3 GLN 16 OK 28 99 - 29 - 4.6/1966=9, 1937/4.0=3...(14) HB2 GLN 105 - HG3 GLN 16 OK 24 100 - 24 - 3.0/1970=3, 3.0/1970=3...(9) HB2 ARG 57 - HG3 GLN 16 OK 12 99 - 12 - ~7046=5, 730/3.5=1, 722/3.5=1 HB2 LEU 114 - HG3 GLN 16 lone 9 100 - 9 - ~6326=2 HB ILE 63 - HG3 GLN 16 lone 7 92 - 7 - 4.0/1966=2, 3505/4.9=1 HG LEU 21 - HG3 GLN 16 lone 4 100 - 4 - HG3 PRO 37 - HG3 GLN 16 lone 4 60 - 7 - 2.3/1967=2 HB2 LEU 101 - HG3 GLN 16 lone 4 81 - 4 - HG3 GLU 69 - HG3 GLN 16 lone 3 96 - 3 - HB3 PRO 70 - HG3 GLN 16 lone 2 71 - 3 - HB3 ARG 81 - HG3 GLN 16 lone 2 65 - 3 - 4.3/1966=1 HG2 GLU 64 - HG3 GLN 16 lone 2 99 - 2 - HB3 GLU 38 - HG3 GLN 16 lone 2 85 - 2 - Peak 1969 from cnoeabs.peaks (2.08, 2.40, 33.89 ppm; 3.24 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 16 + HG3 GLN 16 OK 100 100 - 100 - 3.0=100 HB2 GLN 16 + HG3 GLN 16 OK 100 100 - 100 - 3.0=100 HB2 GLU 15 - HG3 GLN 16 OK 28 99 - 29 - 4.6/1966=9, 1937/4.0=3...(14) HB2 GLN 105 - HG3 GLN 16 OK 24 100 - 24 - 3.0/1970=3, 3.0/1970=3...(9) HB2 ARG 57 - HG3 GLN 16 OK 12 99 - 12 - ~7046=5, 730/3.5=1, 722/3.5=1 HB2 LEU 114 - HG3 GLN 16 lone 9 100 - 9 - ~6326=2 HB ILE 63 - HG3 GLN 16 lone 7 90 - 7 - 4.0/1966=2, 3505/4.9=1 HG LEU 21 - HG3 GLN 16 lone 4 100 - 4 - HB2 LEU 101 - HG3 GLN 16 lone 4 83 - 4 - HG3 GLU 69 - HG3 GLN 16 lone 3 97 - 3 - HB3 PRO 70 - HG3 GLN 16 lone 2 73 - 3 - HB3 ARG 81 - HG3 GLN 16 lone 2 63 - 3 - 4.3/1966=1 HG2 GLU 64 - HG3 GLN 16 lone 2 99 - 2 - HB3 GLU 38 - HG3 GLN 16 lone 1 83 - 2 - Peak 1970 from cnoeabs.peaks (2.30, 2.40, 33.89 ppm; 2.53 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 16 + HG3 GLN 16 OK 100 100 - 100 - 1.8=100 HG2 GLN 105 - HG3 GLN 16 OK 16 78 - 21 - 1963=3, 1.8/1963=2...(8) HG3 GLN 105 - HG3 GLN 16 OK 15 76 - 20 - 1963=3, 1.8/1963=2...(8) HG3 GLU 56 - HG3 GLN 16 lone 4 97 - 4 - HB VAL 120 - HG3 GLN 16 lone 3 99 - 3 - HB3 PRO 60 - HG3 GLN 16 lone 3 92 - 3 - HB2 LEU 54 - HG3 GLN 16 lone 1 68 - 2 - Peak 1971 from cnoeabs.peaks (2.40, 2.40, 33.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 16 + HG3 GLN 16 OK 100 100 - 100 Peak 1972 from cnoeabs.peaks (7.37, 2.40, 33.89 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 16 + HG3 GLN 16 OK 100 100 - 100 - 3.5=100 H GLU 75 - HG3 GLN 16 lone 2 73 - 3 - H PHE 96 - HG3 GLN 16 lone 1 81 - 2 - Peak 1973 from cnoeabs.peaks (6.71, 2.40, 33.89 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 16 + HG3 GLN 16 OK 100 100 - 100 - 3.5=100 Peak 1974 from cnoeabs.peaks (7.99, 4.23, 67.21 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * H THR 17 + HA THR 17 OK 100 100 - 100 - 3.0=100 H THR 19 - HA THR 17 OK 36 73 - 49 - 46/3.5=16, 4.6/5966=11...(11) H THR 116 - HA THR 17 OK 27 73 - 36 - 4.3/7975=7, 8467/4.1=7...(7) H LEU 114 - HA THR 17 OK 16 78 - 21 - 1982/3.2=5, 4.6/6343=3...(7) HE ARG 85 - HA THR 17 lone 5 96 - 6 - Peak 1975 from cnoeabs.peaks (4.23, 4.23, 67.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 17 + HA THR 17 OK 100 100 - 100 Peak 1976 from cnoeabs.peaks (4.33, 4.23, 67.21 ppm; 3.84 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 17 + HA THR 17 OK 100 100 - 100 - 3.0=100 HA PHE 40 - HA THR 17 OK 18 97 - 19 - 6019/3.2=6, 44/3.5=5...(5) HA CYS 76 - HA THR 17 poor 6 60 - 10 - 2.9/6343=3, ~6344=2, 1984/3.2=1 HA ASP 100 - HA THR 17 lone 5 76 - 7 - 44/3.5=2, 1984/3.2=1, 820/3.0=1 HB2 SER 78 - HA THR 17 lone 1 60 - 1 - Peak 1977 from cnoeabs.peaks (1.33, 4.23, 67.21 ppm; 3.70 A): 1 out of 9 assignments used, quality = 1.00: * QG2 THR 17 + HA THR 17 OK 100 100 - 100 - 3.2=100 QB ALA 43 - HA THR 17 OK 18 100 - 18 - 6020/3.0=8, ~1597=3...(4) HG3 LYS 46 - HA THR 17 OK 16 100 - 16 - 1981/3.0=2, ~6338=2...(5) HG2 LYS 46 - HA THR 17 OK 16 100 - 16 - 1981/3.0=2, ~6338=2...(5) HB3 LEU 84 - HA THR 17 OK 12 85 - 14 - 45/3.5=2, ~6340=2...(4) QG2 THR 23 - HA THR 17 OK 10 96 - 11 - 4.0/73=1, 6549/5967=1 HG3 LYS 119 - HA THR 17 lone 6 98 - 6 - HB3 LEU 59 - HA THR 17 lone 5 89 - 5 - HG CYS 87 - HA THR 17 lone 4 90 - 4 - 5.6/5966=1 Peak 1978 from cnoeabs.peaks (7.99, 4.33, 67.65 ppm; 3.70 A): 4 out of 5 assignments used, quality = 0.95: * H THR 17 + HB THR 17 OK 90 100 - 90 - 4.0=76, 8467/2.8=25...(9) H THR 116 + HB THR 17 OK 25 73 - 34 - 820=8, 4.3/7976=7...(8) H THR 19 + HB THR 17 OK 23 73 - 32 - 4.6/44=12, 4.3/8393=7...(7) H LEU 114 + HB THR 17 OK 11 78 - 14 - 1982/2.1=5, 1974/3.0=2...(4) HE ARG 85 - HB THR 17 lone 4 96 - 4 - Peak 1979 from cnoeabs.peaks (4.23, 4.33, 67.65 ppm; 3.75 A): 1 out of 12 assignments used, quality = 1.00: * HA THR 17 + HB THR 17 OK 100 100 - 100 - 3.0=100 HA SER 13 - HB THR 17 OK 21 85 - 25 - 4.9/5952=14, 5949/4.0=5...(5) HA ILE 22 - HB THR 17 OK 19 85 - 22 - 1983/2.1=4, 4.2/6334=3...(10) HB THR 19 - HB THR 17 OK 18 93 - 19 - 2010/4.0=4, 4.0/1978=3...(8) HA VAL 26 - HB THR 17 OK 12 93 - 13 - 5949/4.0=4, 1983/2.1=3, ~8194=2 HA CYS 52 - HB THR 17 OK 10 95 - 11 - ~6344=2, 1983/2.1=2, ~6343=2 HA VAL 66 - HB THR 17 lone 5 83 - 6 - 3.2/6334=1 HA LEU 58 - HB THR 17 lone 3 85 - 4 - HA3 GLY 48 - HB THR 17 lone 3 95 - 3 - HA ALA 89 - HB THR 17 lone 3 99 - 3 - HA GLU 64 - HB THR 17 lone 2 71 - 2 - HA LEU 126 - HB THR 17 lone 1 68 - 2 - Peak 1980 from cnoeabs.peaks (4.33, 4.33, 67.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 17 + HB THR 17 OK 100 100 - 100 Peak 1981 from cnoeabs.peaks (1.33, 4.33, 67.65 ppm; 3.55 A): 1 out of 9 assignments used, quality = 1.00: * QG2 THR 17 + HB THR 17 OK 100 100 - 100 - 2.1=100 QB ALA 43 - HB THR 17 OK 30 100 - 30 - 6020=13, 2.9/1597=5...(9) HG3 LYS 46 - HB THR 17 OK 16 100 - 16 - 1977/3.0=2, ~6338=2, ~1977=1 HG2 LYS 46 - HB THR 17 OK 16 100 - 16 - 1977/3.0=2, ~6338=2, ~1977=1 HB3 LEU 84 - HB THR 17 OK 12 85 - 15 - ~6340=3, ~8461=2...(5) HG3 LYS 119 - HB THR 17 lone 5 98 - 6 - QG2 THR 23 - HB THR 17 lone 5 96 - 5 - 1977/3.0=1 HB3 LEU 59 - HB THR 17 lone 4 89 - 5 - HG CYS 87 - HB THR 17 lone 3 90 - 4 - Peak 1982 from cnoeabs.peaks (7.99, 1.33, 22.28 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.95: * H THR 17 + QG2 THR 17 OK 93 100 - 93 - 4.0=81, 820/2.1=26...(10) H THR 116 + QG2 THR 17 OK 29 73 - 40 - 8467/3.0=7, 820/2.1=6...(10) H THR 19 - QG2 THR 17 OK 26 73 - 35 - 4.6/5456=12, 3.6/8461=11...(6) H LEU 114 - QG2 THR 17 OK 25 78 - 32 - 4.4/6336=5, 7559=4...(11) HE ARG 85 - QG2 THR 17 lone 5 96 - 5 - Peak 1983 from cnoeabs.peaks (4.23, 1.33, 22.28 ppm; 3.33 A): 1 out of 12 assignments used, quality = 1.00: * HA THR 17 + QG2 THR 17 OK 100 100 - 100 - 3.2=100 HA ILE 22 - QG2 THR 17 OK 17 85 - 20 - 3.2/6335=3, 1979/2.1=3...(6) HB THR 19 - QG2 THR 17 OK 16 93 - 17 - 2010/4.0=3, 43/4.4=3...(5) HA SER 13 - QG2 THR 17 OK 13 85 - 16 - 4.9/6295=5, 5949/4.0=4...(4) HA VAL 26 - QG2 THR 17 OK 13 93 - 14 - 5949/4.0=3, 3.2/8194=2 HA CYS 52 - QG2 THR 17 OK 11 95 - 11 - 3.0/6344=3, 1979/2.1=1, ~6343=1 HA VAL 66 - QG2 THR 17 lone 5 83 - 5 - HA LEU 58 - QG2 THR 17 lone 4 85 - 5 - HA ALA 89 - QG2 THR 17 lone 3 99 - 3 - HA3 GLY 48 - QG2 THR 17 lone 3 95 - 3 - HA LEU 126 - QG2 THR 17 lone 1 68 - 2 - HA GLU 64 - QG2 THR 17 lone 1 71 - 2 - Peak 1984 from cnoeabs.peaks (4.33, 1.33, 22.28 ppm; 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 17 + QG2 THR 17 OK 100 100 - 100 - 2.1=100 HA PHE 40 - QG2 THR 17 OK 19 97 - 19 - 6019=7, 44/4.4=3...(6) HA CYS 76 - QG2 THR 17 lone 5 60 - 8 - 2.9/6344=3 HA ASP 100 - QG2 THR 17 lone 5 76 - 6 - 2.9/6346=1 HB2 SER 78 - QG2 THR 17 lone 1 60 - 2 - Peak 1985 from cnoeabs.peaks (1.33, 1.33, 22.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 17 + QG2 THR 17 OK 100 100 - 100 Peak 1986 from cnoeabs.peaks (8.59, 3.48, 68.10 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 18 + HA VAL 18 OK 100 100 - 100 - 3.0=100 H ILE 34 - HA VAL 18 OK 36 100 - 36 - 1996/3.2=10, 1991/3.0=7...(8) H GLY 86 - HA VAL 18 OK 12 65 - 19 - 4.6/5978=3, 3.6/7494=3...(7) H SER 29 - HA VAL 18 poor 7 71 - 10 - 1996/3.2=2, 2001/3.2=1...(4) Peak 1987 from cnoeabs.peaks (3.48, 3.48, 68.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 18 + HA VAL 18 OK 100 100 - 100 Peak 1988 from cnoeabs.peaks (2.36, 3.48, 68.10 ppm; 3.94 A): 2 out of 9 assignments used, quality = 1.00: * HB VAL 18 + HA VAL 18 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 + HA VAL 18 OK 59 98 - 61 - 1.8/3837=9, 2.3/3795=8...(21) HG2 GLU 15 - HA VAL 18 OK 29 97 - 30 - 48/3.6=6, 824/3.0=6...(10) HG2 MET 11 - HA VAL 18 OK 15 83 - 18 - 1992=3, 5.1/5973=2...(10) HB3 ASN 118 - HA VAL 18 OK 11 100 - 11 - 48/3.6=2, ~5181=1...(5) HB3 GLU 82 - HA VAL 18 OK 11 87 - 12 - 3830=1, 824/3.0=1...(4) HB2 GLU 82 - HA VAL 18 OK 11 87 - 12 - 3830=1, 824/3.0=1...(4) HB2 GLN 103 - HA VAL 18 OK 10 93 - 11 - 1998/3.2=1, 48/3.6=1, ~4734=1 HB2 LEU 54 - HA VAL 18 lone 4 65 - 5 - Peak 1989 from cnoeabs.peaks (1.21, 3.48, 68.10 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 18 + HA VAL 18 OK 100 100 - 100 - 3.2=100 HB3 LEU 24 - HA VAL 18 OK 32 95 - 34 - 3.1/6359=7, 1994/3.0=4...(17) HB2 LEU 77 - HA VAL 18 OK 21 92 - 22 - 1994/3.0=3, 825/3.0=3...(9) HB3 LEU 111 - HA VAL 18 OK 20 99 - 20 - 49/3.6=3, 825/3.0=3...(6) HG2 LYS 32 - HA VAL 18 OK 11 97 - 11 - 825/3.0=2, 1994/3.0=2...(4) HG LEU 77 - HA VAL 18 OK 10 63 - 16 - 2.1/6359=2, 4013/3.2=2...(7) Peak 1990 from cnoeabs.peaks (0.98, 3.48, 68.10 ppm; 3.31 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 18 + HA VAL 18 OK 100 100 - 100 - 3.2=100 QD2 LEU 58 - HA VAL 18 OK 30 98 - 31 - 2002=7, 2000/3.2=3...(10) QD1 LEU 58 - HA VAL 18 OK 26 89 - 29 - 2.1/2002=5, 50/3.6=3...(12) HB3 LEU 27 - HA VAL 18 OK 22 78 - 28 - 3.1/6532=8, 3.1/6358=3...(9) QD1 LEU 101 - HA VAL 18 OK 17 100 - 17 - 2000/3.2=2, 2.1/5976=2...(5) HG3 LYS 65 - HA VAL 18 lone 6 100 - 6 - 2000/3.2=1 HG2 LYS 65 - HA VAL 18 lone 6 100 - 6 - 2000/3.2=1 QG2 THR 95 - HA VAL 18 lone 6 97 - 6 - QG2 ILE 124 - HA VAL 18 lone 4 65 - 7 - Peak 1991 from cnoeabs.peaks (8.59, 2.36, 31.57 ppm; 3.49 A): 2 out of 8 assignments used, quality = 0.89: * H VAL 18 + HB VAL 18 OK 85 100 - 85 - 4.0=69, 825/2.1=22...(8) H ILE 34 + HB VAL 18 OK 28 100 - 28 - 1996/2.1=11, 2001/2.1=6...(6) H SER 29 - HB VAL 18 lone 4 71 - 6 - 1996/2.1=2, 2001/2.1=1 H VAL 18 - HG2 MET 11 lone 4 58 - 7 - 824=2, 3.0/1988=1, 4.0/1998=1 H GLY 86 - HB VAL 18 lone 4 65 - 6 - 1986/3.0=2, 1996/2.1=2 H ILE 34 - HG2 MET 11 lone 1 58 - 1 - H SER 29 - HG2 MET 11 lone 0 34 - 1 - H GLY 86 - HG2 MET 11 lone 0 31 - 1 - Peak 1992 from cnoeabs.peaks (3.48, 2.36, 31.57 ppm; 3.99 A): 2 out of 10 assignments used, quality = 1.00: * HA VAL 18 + HB VAL 18 OK 100 100 - 100 - 3.0=100 HD3 PRO 70 + HB VAL 18 OK 50 85 - 59 - 1997/2.1=9, 2002/2.1=7...(20) HB3 SER 44 - HB VAL 18 OK 17 87 - 20 - 1997/2.1=3, 2002/2.1=3...(10) HA LEU 84 - HB VAL 18 OK 16 81 - 20 - 7485/2.1=4, 1997/2.1=3...(9) HB2 SER 44 - HB VAL 18 OK 14 76 - 18 - 1997/2.1=3, 2872/3.0=3...(8) HA VAL 18 - HG2 MET 11 OK 11 58 - 19 - 1988=3, 5973/5.1=3...(10) HD3 PRO 70 - HG2 MET 11 lone 2 43 - 5 - HA LEU 84 - HG2 MET 11 lone 1 40 - 2 - HB3 SER 44 - HG2 MET 11 lone 0 45 - 1 - HB2 SER 44 - HG2 MET 11 lone 0 37 - 1 - Peak 1993 from cnoeabs.peaks (2.36, 2.36, 31.57 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 18 + HB VAL 18 OK 100 100 - 100 HG2 MET 11 - HG2 MET 11 OK 42 42 - 100 Peak 1994 from cnoeabs.peaks (1.21, 2.36, 31.57 ppm; 3.28 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 18 + HB VAL 18 OK 100 100 - 100 - 2.1=100 HB3 LEU 24 - HB VAL 18 OK 34 95 - 36 - 1989/3.0=4, ~7067=4...(17) HB2 LEU 77 - HB VAL 18 OK 23 92 - 25 - 1989/3.0=3, 2004/2.1=3...(12) HB3 LEU 111 - HB VAL 18 OK 21 99 - 21 - 2004/2.1=3, 1989/3.0=3...(10) HG2 LYS 32 - HB VAL 18 OK 13 97 - 13 - 2004/2.1=2, 1989/3.0=1...(7) HG LEU 77 - HB VAL 18 OK 11 63 - 18 - 4013/2.1=2, ~4020=2...(7) QG2 VAL 18 - HG2 MET 11 poor 8 58 - 13 - 1998=2, 8401/3.0=1...(5) HB3 LEU 111 - HG2 MET 11 lone 1 55 - 1 - HB2 LEU 77 - HG2 MET 11 lone 0 48 - 1 - HB3 LEU 24 - HG2 MET 11 lone 0 51 - 1 - HG2 LYS 32 - HG2 MET 11 lone 0 54 - 1 - HG LEU 77 - HG2 MET 11 lone 0 30 - 1 - Peak 1995 from cnoeabs.peaks (0.98, 2.36, 31.57 ppm; 3.21 A): 1 out of 18 assignments used, quality = 1.00: * QG1 VAL 18 + HB VAL 18 OK 100 100 - 100 - 2.1=100 QD2 LEU 58 - HB VAL 18 OK 27 98 - 27 - 2003=5, 2000/2.1=5...(10) QD1 LEU 58 - HB VAL 18 OK 24 89 - 27 - 2000/2.1=4, 2.1/2003=3...(12) HB3 LEU 27 - HB VAL 18 OK 18 78 - 23 - 2000/2.1=3, ~6532=3...(12) QD1 LEU 101 - HB VAL 18 OK 15 100 - 15 - 2000/2.1=3, 1990/3.0=2...(5) QG1 VAL 18 - HG2 MET 11 poor 7 58 - 12 - 2003=2, 2.1/1998=2...(4) HG3 LYS 65 - HB VAL 18 lone 7 100 - 6 - 2000/2.1=1 HG2 LYS 65 - HB VAL 18 lone 7 100 - 6 - 2000/2.1=1 QG2 THR 95 - HB VAL 18 lone 4 97 - 4 - QG2 ILE 124 - HB VAL 18 lone 4 65 - 7 - QD2 LEU 58 - HG2 MET 11 lone 3 55 - 5 - QD1 LEU 58 - HG2 MET 11 lone 2 46 - 4 - QD1 LEU 101 - HG2 MET 11 lone 1 58 - 1 - QG2 ILE 124 - HG2 MET 11 lone 1 31 - 2 - HG2 LYS 65 - HG2 MET 11 lone 1 58 - 1 - HG3 LYS 65 - HG2 MET 11 lone 1 58 - 1 - HB3 LEU 27 - HG2 MET 11 lone 0 39 - 1 - QG2 THR 95 - HG2 MET 11 lone 0 54 - 0 - Peak 1996 from cnoeabs.peaks (8.59, 1.21, 24.60 ppm; 3.24 A): 2 out of 4 assignments used, quality = 0.89: * H VAL 18 + QG2 VAL 18 OK 81 100 - 81 - 4.0=53, 1991/2.1=19...(12) H ILE 34 + QG2 VAL 18 OK 42 100 - 42 - 4.0/8395=13, 5.0/8396=9...(10) H SER 29 - QG2 VAL 18 poor 8 71 - 11 - 3.6/8392=1, 4.4/8405=1 H GLY 86 - QG2 VAL 18 lone 6 65 - 9 - 1986/3.2=2 Peak 1997 from cnoeabs.peaks (3.48, 1.21, 24.60 ppm; 3.19 A): 1 out of 5 assignments used, quality = 0.99: * HA VAL 18 + QG2 VAL 18 OK 99 100 - 99 - 3.2=99 HD3 PRO 70 - QG2 VAL 18 OK 34 85 - 40 - 2.3/1998=6, 1992/2.1=5...(18) HB3 SER 44 - QG2 VAL 18 OK 13 87 - 15 - 1992/2.1=2, 2002/2.1=2...(6) HA LEU 84 - QG2 VAL 18 OK 11 81 - 14 - 7485/2.1=2, 1992/2.1=2...(5) HB2 SER 44 - QG2 VAL 18 OK 10 76 - 13 - 2872/3.2=2, 2002/2.1=1...(6) Peak 1998 from cnoeabs.peaks (2.36, 1.21, 24.60 ppm; 3.14 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 18 + QG2 VAL 18 OK 100 100 - 100 - 2.1=100 HG2 PRO 70 - QG2 VAL 18 OK 39 98 - 40 - 2.3/1997=6, 2003/2.1=4...(18) HG2 GLU 15 - QG2 VAL 18 OK 25 97 - 25 - 4.1/6319=7, 48/4.3=3...(10) HG2 MET 11 - QG2 VAL 18 poor 9 83 - 11 - 1994=2, 3.0/8401=1...(4) HB3 ASN 118 - QG2 VAL 18 lone 8 100 - 8 - ~5181=1, 2003/2.1=1, ~8420=1 HB2 GLN 103 - QG2 VAL 18 lone 8 93 - 8 - 1.8/8401=1, ~4734=1 HB3 GLU 82 - QG2 VAL 18 lone 6 87 - 7 - HB2 GLU 82 - QG2 VAL 18 lone 6 87 - 7 - HB2 LEU 54 - QG2 VAL 18 lone 3 65 - 4 - Peak 1999 from cnoeabs.peaks (1.21, 1.21, 24.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 18 + QG2 VAL 18 OK 100 100 - 100 Peak 2000 from cnoeabs.peaks (0.98, 1.21, 24.60 ppm; 2.88 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 18 + QG2 VAL 18 OK 100 100 - 100 - 2.1=100 QD2 LEU 58 - QG2 VAL 18 OK 27 98 - 28 - 2004=5, 1995/2.1=3...(6) QD1 LEU 58 - QG2 VAL 18 OK 22 89 - 25 - 2.1/2004=3, 1995/2.1=3...(9) HB3 LEU 27 - QG2 VAL 18 OK 21 78 - 26 - 3.1/8397=3, 3.1/8397=3...(10) QD1 LEU 101 - QG2 VAL 18 OK 19 100 - 19 - 1995/2.1=2, 1990/3.2=1 HG3 LYS 65 - QG2 VAL 18 lone 8 100 - 8 - 4.9/6350=1 HG2 LYS 65 - QG2 VAL 18 lone 8 100 - 8 - 4.9/6350=1 QG2 THR 95 - QG2 VAL 18 lone 5 97 - 5 - QG2 ILE 124 - QG2 VAL 18 lone 5 65 - 7 - 2.1/8401=1 Peak 2001 from cnoeabs.peaks (8.59, 0.98, 21.91 ppm; 4.01 A): 2 out of 8 assignments used, quality = 1.00: * H VAL 18 + QG1 VAL 18 OK 100 100 - 100 - 4.0=100 H ILE 34 + QG1 VAL 18 OK 49 100 - 49 - 4.0/8195=16, 1996/2.1=13...(8) H VAL 18 - QD2 LEU 58 OK 31 93 - 33 - 826=7, 3.0/2002=5...(8) H ILE 34 - QD2 LEU 58 OK 11 93 - 11 - 4.0/8195=4, 5.0/6364=3 H SER 29 - QG1 VAL 18 poor 9 71 - 13 - 1996/2.1=2, 1991/2.1=1...(5) H GLY 86 - QG1 VAL 18 poor 8 65 - 12 - 1986/3.2=2, 1996/2.1=2...(5) H SER 29 - QD2 LEU 58 lone 5 60 - 8 - 4.4/101=2, 3.6/8196=1 H GLY 86 - QD2 LEU 58 lone 4 55 - 7 - Peak 2002 from cnoeabs.peaks (3.48, 0.98, 21.91 ppm; 3.39 A): 1 out of 10 assignments used, quality = 1.00: * HA VAL 18 + QG1 VAL 18 OK 100 100 - 100 - 3.2=100 HD3 PRO 70 - QG1 VAL 18 OK 37 85 - 44 - 1997/2.1=7, 1992/2.1=6...(19) HA VAL 18 - QD2 LEU 58 OK 32 93 - 35 - 1990=7, 1990/2.1=4...(11) HA LEU 84 - QG1 VAL 18 OK 16 81 - 19 - 7485=3, 1997/2.1=2...(7) HB3 SER 44 - QG1 VAL 18 OK 14 87 - 16 - 1997/2.1=3, 1992/2.1=2...(7) HB2 SER 44 - QG1 VAL 18 OK 11 76 - 15 - 1997/2.1=2, 2872/3.2=2...(7) HD3 PRO 70 - QD2 LEU 58 lone 4 74 - 6 - HA LEU 84 - QD2 LEU 58 lone 4 70 - 6 - HB3 SER 44 - QD2 LEU 58 lone 3 76 - 3 - HB2 SER 44 - QD2 LEU 58 lone 2 65 - 3 - Peak 2003 from cnoeabs.peaks (2.36, 0.98, 21.91 ppm; 3.19 A): 1 out of 18 assignments used, quality = 1.00: * HB VAL 18 + QG1 VAL 18 OK 100 100 - 100 - 2.1=100 HG2 PRO 70 - QG1 VAL 18 OK 39 98 - 40 - 1998/2.1=6, 2.3/2002=5...(18) HB VAL 18 - QD2 LEU 58 OK 28 93 - 31 - 1995=6, 2.1/2000=4...(11) HG2 GLU 15 - QG1 VAL 18 OK 24 97 - 24 - 4.1/6320=7, 1998/2.1=4...(9) HB2 LEU 54 - QD2 LEU 58 OK 18 55 - 32 - ~7065=9, 3.1/6986=8...(9) HB3 ASN 118 - QD2 LEU 58 OK 13 91 - 15 - 1.8/8420=3, 3.0/8021=3...(6) HB3 ASN 118 - QG1 VAL 18 OK 10 100 - 10 - 1.8/8420=2, ~5181=1...(4) HG2 MET 11 - QG1 VAL 18 poor 10 83 - 12 - 1995=2, 1998/2.1=2...(4) HB2 GLN 103 - QG1 VAL 18 lone 8 93 - 8 - 1998/2.1=1, ~4734=1 HB3 GLU 82 - QG1 VAL 18 lone 6 87 - 7 - 1998/2.1=1 HB2 GLU 82 - QG1 VAL 18 lone 6 87 - 7 - 1998/2.1=1 HG2 MET 11 - QD2 LEU 58 lone 4 72 - 5 - HG2 GLU 15 - QD2 LEU 58 lone 3 88 - 4 - 4.1/6320=1 HG2 PRO 70 - QD2 LEU 58 lone 3 89 - 4 - HB2 LEU 54 - QG1 VAL 18 lone 3 65 - 5 - 3.1/6986=2 HB2 GLN 103 - QD2 LEU 58 lone 3 83 - 3 - HB3 GLU 82 - QD2 LEU 58 lone 2 76 - 3 - HB2 GLU 82 - QD2 LEU 58 lone 2 76 - 3 - Peak 2004 from cnoeabs.peaks (1.21, 0.98, 21.91 ppm; 2.86 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 18 + QG1 VAL 18 OK 100 100 - 100 - 2.1=100 HB3 LEU 24 - QD2 LEU 58 OK 43 84 - 51 - 3.1/7067=10, ~7066=7...(22) HB3 LEU 24 - QG1 VAL 18 OK 28 95 - 30 - 3.1/7067=5, 1994/2.1=4...(13) QG2 VAL 18 - QD2 LEU 58 OK 28 93 - 30 - 2000=6, 2.1/1995=3...(7) HB3 LEU 111 - QG1 VAL 18 OK 20 99 - 20 - 3.1/8420=3, 1994/2.1=2...(8) HB2 LEU 77 - QG1 VAL 18 OK 20 92 - 21 - 1994/2.1=3, 1989/3.2=2...(9) HG2 LYS 32 - QG1 VAL 18 OK 13 97 - 13 - 1994/2.1=2, 1989/3.2=1 HB3 LEU 111 - QD2 LEU 58 OK 12 89 - 13 - 3.1/8420=2, 1.8/6367=2, ~7062=1 HG LEU 77 - QG1 VAL 18 poor 9 63 - 15 - 4013/2.1=2, ~4020=1...(4) HB2 LEU 77 - QD2 LEU 58 lone 3 81 - 4 - HG2 LYS 32 - QD2 LEU 58 lone 3 88 - 3 - HG LEU 77 - QD2 LEU 58 lone 2 53 - 4 - Peak 2005 from cnoeabs.peaks (0.98, 0.98, 21.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 18 + QG1 VAL 18 OK 100 100 - 100 QD2 LEU 58 + QD2 LEU 58 OK 89 89 - 100 Peak 2006 from cnoeabs.peaks (8.02, 3.84, 66.74 ppm; 3.81 A): 2 out of 8 assignments used, quality = 1.00: * H THR 19 + HA THR 19 OK 100 100 - 100 - 3.0=100 H THR 116 + HA THR 116 OK 94 94 - 100 - 3.0=100 H THR 116 - HA THR 19 OK 42 100 - 42 - 2014/3.2=6, 2010/3.0=6...(16) H THR 19 - HA THR 116 OK 40 94 - 43 - 828=7, 5126/3.2=6...(17) H SER 112 - HA THR 116 OK 26 82 - 31 - 5898/4.8=5, 592/3.6=5...(8) H THR 17 - HA THR 19 OK 25 73 - 34 - 51/3.6=6, 2010/3.0=5...(11) H SER 112 - HA THR 19 OK 15 92 - 16 - 2014/3.2=2, 2010/3.0=2...(5) H THR 17 - HA THR 116 OK 11 64 - 18 - 1365=2, 5898/4.8=2...(9) Peak 2007 from cnoeabs.peaks (3.84, 3.84, 66.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 19 + HA THR 19 OK 100 100 - 100 HA THR 116 + HA THR 116 OK 85 85 - 100 Peak 2008 from cnoeabs.peaks (4.25, 3.84, 66.74 ppm; 4.08 A): 1 out of 22 assignments used, quality = 1.00: * HB THR 19 + HA THR 19 OK 100 100 - 100 - 3.0=100 HB THR 19 - HA THR 116 OK 42 94 - 45 - 2011=8, 2.1/2015=7...(16) HA THR 17 - HA THR 19 OK 37 93 - 40 - 5966/3.6=12, 829/3.0=8...(12) HA3 GLY 48 - HA THR 19 OK 28 100 - 28 - 1.8/6893=6, 6887=4...(10) HA LEU 58 - HA THR 19 OK 24 100 - 25 - 829/3.0=3, 4.0/6372=3...(12) HA LEU 58 - HA THR 116 OK 18 92 - 19 - 5645/3.6=4, 4.0/6372=2...(7) HA THR 17 - HA THR 116 OK 17 84 - 20 - 1974/3.0=4, ~820=2...(7) HA GLU 94 - HA THR 116 OK 11 66 - 17 - ~8171=7, ~7615=6, ~459=2 HA3 GLY 48 - HA THR 116 lone 8 93 - 9 - 8423/4.8=1, 1.8/6893=1 HA GLN 103 - HA THR 19 poor 8 65 - 12 - 2.9/7770=2, ~7767=2, 7771=1 HA ALA 122 - HA THR 116 poor 7 66 - 11 - 3.0/1805=5, 3.6/1810=3 HA ALA 122 - HA THR 19 lone 6 76 - 8 - 3.0/1805=2, 3.6/1810=1 HA ALA 89 - HA THR 19 lone 6 99 - 6 - HA ALA 89 - HA THR 116 lone 5 92 - 5 - HA GLU 64 - HA THR 19 lone 4 97 - 4 - HA VAL 26 - HA THR 19 lone 4 63 - 7 - 1555/3.6=1 HA CYS 52 - HA THR 19 lone 3 65 - 5 - 1555/3.6=1 HA GLN 103 - HA THR 116 lone 3 56 - 5 - HA GLU 94 - HA THR 19 lone 3 76 - 3 - HA GLU 64 - HA THR 116 lone 2 87 - 3 - HA CYS 52 - HA THR 116 lone 2 56 - 4 - HA VAL 26 - HA THR 116 lone 2 54 - 3 - Peak 2009 from cnoeabs.peaks (1.26, 3.84, 66.74 ppm; 3.09 A): 2 out of 16 assignments used, quality = 0.99: * QG2 THR 19 + HA THR 19 OK 93 100 - 93 - 3.2=90, 2014/3.0=11...(7) QG2 THR 116 + HA THR 116 OK 81 86 - 94 - 3.2=90, 5126/3.0=11...(8) QG2 ILE 80 - HA THR 116 OK 29 89 - 32 - 3.2/7411=4, 2.1/6109=3...(10) QG2 THR 19 - HA THR 116 OK 28 94 - 30 - 2015=7, 2014/3.0=4...(8) QD1 ILE 80 - HA THR 116 OK 27 87 - 31 - 7411=6, 3.2/6109=3...(10) QD1 ILE 80 - HA THR 19 OK 27 97 - 28 - 7411=5, 2013/3.0=3...(10) QG2 ILE 80 - HA THR 19 OK 27 97 - 28 - 2013/3.0=3, 2.1/6109=3...(9) QG2 THR 116 - HA THR 19 OK 27 96 - 28 - 5127=6, 5126/3.0=4...(10) HG3 LYS 32 - HA THR 116 OK 10 93 - 11 - 5125/3.0=1, 595/3.6=1 HG LEU 77 - HA THR 19 poor 10 73 - 13 - 2.1/4019=3, 2.1/4026=1...(6) HG3 LYS 32 - HA THR 19 lone 8 100 - 8 - HG LEU 54 - HA THR 116 lone 4 61 - 6 - HG LEU 77 - HA THR 116 lone 4 64 - 6 - 2.1/4019=1 HG13 ILE 124 - HA THR 19 lone 3 87 - 3 - HG LEU 54 - HA THR 19 lone 2 71 - 3 - HG13 ILE 124 - HA THR 116 lone 1 77 - 1 - Peak 2010 from cnoeabs.peaks (8.02, 4.25, 68.61 ppm; 3.54 A): 3 out of 4 assignments used, quality = 0.90: * H THR 19 + HB THR 19 OK 82 100 - 82 - 4.0=67, 2014/2.1=18...(10) H THR 116 + HB THR 19 OK 27 100 - 27 - 2014/2.1=7, 3.0/2011=4...(10) H THR 17 + HB THR 19 OK 25 73 - 34 - 3.6/5963=9, 2014/2.1=4...(14) H SER 112 - HB THR 19 lone 9 92 - 9 - 2014/2.1=2, 3.0/5963=2...(5) Peak 2011 from cnoeabs.peaks (3.84, 4.25, 68.61 ppm; 3.91 A): 1 out of 12 assignments used, quality = 1.00: * HA THR 19 + HB THR 19 OK 100 100 - 100 - 3.0=100 HA THR 116 - HB THR 19 OK 39 95 - 41 - 2015/2.1=6, 3.0/2010=6...(16) HA GLU 15 - HB THR 19 OK 33 99 - 34 - 5959/4.0=8, 2015/2.1=5...(11) HA LYS 119 - HB THR 19 OK 21 97 - 22 - 2015/2.1=3, ~6376=2...(11) HA LEU 77 - HB THR 19 OK 14 100 - 14 - 2015/2.1=3, 828/4.0=2 HA THR 33 - HB THR 19 lone 6 87 - 7 - 1551/4.0=1, 2015/2.1=1, 52/4.4=1 HB THR 33 - HB THR 19 lone 5 85 - 5 - 1551/4.0=1 HA3 GLY 104 - HB THR 19 lone 4 95 - 4 - HB2 SER 35 - HB THR 19 lone 2 93 - 2 - HB2 SER 13 - HB THR 19 lone 1 63 - 2 - HA3 GLY 88 - HB THR 19 lone 1 60 - 2 - HB3 SER 29 - HB THR 19 lone 1 57 - 2 - Peak 2012 from cnoeabs.peaks (4.25, 4.25, 68.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 19 + HB THR 19 OK 100 100 - 100 Peak 2013 from cnoeabs.peaks (1.26, 4.25, 68.61 ppm; 3.13 A): 1 out of 8 assignments used, quality = 1.00: * QG2 THR 19 + HB THR 19 OK 100 100 - 100 - 2.1=100 QG2 ILE 80 - HB THR 19 OK 26 97 - 27 - 8351=3, 7408/3.0=2...(14) QD1 ILE 80 - HB THR 19 OK 25 97 - 26 - 7411/3.0=3, 3.2/8351=3...(12) QG2 THR 116 - HB THR 19 OK 19 96 - 20 - 5127/3.0=3, 5126/4.0=3...(8) HG LEU 77 - HB THR 19 lone 6 73 - 8 - 4012/3.0=1 HG3 LYS 32 - HB THR 19 lone 5 100 - 5 - HG13 ILE 124 - HB THR 19 lone 3 87 - 4 - HG LEU 54 - HB THR 19 lone 2 71 - 3 - Peak 2014 from cnoeabs.peaks (8.02, 1.26, 21.73 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.95: * H THR 19 + QG2 THR 19 OK 92 100 - 92 - 4.0=84, 2010/2.1=21...(6) H THR 116 + QG2 THR 19 OK 36 100 - 36 - 2010/2.1=7, 1367=6...(11) H THR 17 - QG2 THR 19 OK 20 73 - 27 - 3.6/6323=8, 2010/2.1=6...(7) H SER 112 - QG2 THR 19 OK 11 92 - 12 - 2010/2.1=2, 3.0/6378=2...(5) Peak 2015 from cnoeabs.peaks (3.84, 1.26, 21.73 ppm; 3.04 A): 4 out of 12 assignments used, quality = 0.95: * HA THR 19 + QG2 THR 19 OK 90 100 - 90 - 3.2=85, 3.0/2014=11...(8) HA THR 116 + QG2 THR 19 OK 25 95 - 26 - 3.0/2014=4, 2011/2.1=4...(8) HA GLU 15 + QG2 THR 19 OK 18 99 - 19 - 5959/4.0=4, 2011/2.1=3...(7) HA LYS 119 + QG2 THR 19 OK 13 97 - 13 - 2011/2.1=2, 3.0/6376=2 HA LEU 77 - QG2 THR 19 lone 10 100 - 10 - 2011/2.1=1, 3994=1 HA THR 33 - QG2 THR 19 lone 4 87 - 4 - HB THR 33 - QG2 THR 19 lone 3 85 - 4 - HA3 GLY 104 - QG2 THR 19 lone 2 95 - 2 - HB2 SER 35 - QG2 THR 19 lone 1 93 - 1 - HB2 SER 13 - QG2 THR 19 lone 1 63 - 2 - HB3 SER 29 - QG2 THR 19 lone 1 57 - 1 - HA3 GLY 88 - QG2 THR 19 lone 1 60 - 1 - Peak 2016 from cnoeabs.peaks (4.25, 1.26, 21.73 ppm; 2.94 A): 1 out of 11 assignments used, quality = 1.00: * HB THR 19 + QG2 THR 19 OK 100 100 - 100 - 2.1=100 HA THR 17 - QG2 THR 19 OK 16 93 - 17 - 5966/4.2=5, 829/4.0=3...(5) HA3 GLY 48 - QG2 THR 19 OK 14 100 - 14 - 6887/3.2=2, ~3023=2...(8) HA LEU 58 - QG2 THR 19 lone 10 100 - 10 - 3.0/6376=1, 829/4.0=1...(4) HA GLN 103 - QG2 THR 19 lone 4 65 - 6 - 2.9/7767=1 HA ALA 89 - QG2 THR 19 lone 2 99 - 2 - HA ALA 122 - QG2 THR 19 lone 2 76 - 2 - HA GLU 64 - QG2 THR 19 lone 2 97 - 2 - HA VAL 26 - QG2 THR 19 lone 2 63 - 3 - HA CYS 52 - QG2 THR 19 lone 1 65 - 2 - HA GLU 94 - QG2 THR 19 lone 1 76 - 1 - Peak 2017 from cnoeabs.peaks (1.26, 1.26, 21.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 19 + QG2 THR 19 OK 100 100 - 100 Peak 2018 from cnoeabs.peaks (8.28, 4.60, 59.75 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * H TRP 20 + HA TRP 20 OK 100 100 - 100 - 3.0=100 H GLU 69 - HA TRP 20 OK 43 92 - 47 - 1101=6, 2038/3.0=6...(15) H ILE 22 - HA TRP 20 OK 35 73 - 47 - 65/3.6=17, 4.6/1570=12...(11) H CYS 87 - HA TRP 20 poor 10 65 - 15 - 1436/3.6=4, 3.6/2020=3...(5) H VAL 49 - HA TRP 20 lone 5 68 - 7 - 4.6/208=1 Peak 2019 from cnoeabs.peaks (4.60, 4.60, 59.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 20 + HA TRP 20 OK 100 100 - 100 Peak 2020 from cnoeabs.peaks (3.70, 4.60, 59.75 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TRP 20 + HA TRP 20 OK 100 100 - 100 - 3.0=100 HD3 PRO 30 - HA TRP 20 OK 32 92 - 35 - 2040/3.0=6, 3.6/5986=6...(11) HA3 GLY 86 - HA TRP 20 OK 16 90 - 18 - 57/3.6=4, 833/3.0=3...(8) HA2 GLY 104 - HA TRP 20 lone 8 98 - 8 - 833/3.0=2, 2040/3.0=2, 57/3.6=1 HB3 SER 90 - HA TRP 20 lone 1 63 - 2 - Peak 2021 from cnoeabs.peaks (3.22, 4.60, 59.75 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TRP 20 + HA TRP 20 OK 100 100 - 100 - 3.0=100 HA GLN 42 - HA TRP 20 OK 16 97 - 16 - 2031/3.0=3, 58/3.6=3...(5) HD2 ARG 71 - HA TRP 20 OK 10 100 - 10 - 2031/3.0=2, 834/3.0=2...(4) HB3 PHE 83 - HA TRP 20 lone 7 92 - 7 - 834/3.0=1, 2031/3.0=1, 58/3.6=1 HD2 ARG 81 - HA TRP 20 lone 4 76 - 5 - Peak 2022 from cnoeabs.peaks (7.29, 4.60, 59.75 ppm; 3.86 A): 1 out of 4 assignments used, quality = 0.78: * HD1 TRP 20 + HA TRP 20 OK 78 100 - 78 - 4.5=62, 2.6/2024=21...(5) HZ PHE 40 - HA TRP 20 poor 10 100 - 10 - 2032/3.0=3, 2042/3.0=3 QD PHE 96 - HA TRP 20 lone 7 90 - 8 - 835/3.0=2, 2042/3.0=2 HE ARG 57 - HA TRP 20 lone 2 71 - 3 - Peak 2024 from cnoeabs.peaks (10.21, 4.60, 59.75 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.76: * HE1 TRP 20 + HA TRP 20 OK 76 100 - 76 - 6.4=46, 2.6/2022=36...(4) Peak 2028 from cnoeabs.peaks (8.28, 3.70, 28.23 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.97: * H TRP 20 + HB2 TRP 20 OK 97 100 - 97 - 4.0=91, 834/1.8=35...(7) H GLU 69 - HB2 TRP 20 OK 24 92 - 27 - 2038/1.8=6, 2018/3.0=6...(7) H ILE 22 - HB2 TRP 20 OK 23 73 - 32 - 4.6/5465=14, 1563/3.0=6...(7) H CYS 87 - HB2 TRP 20 poor 9 65 - 13 - 1436/4.5=3, 428=2...(5) H VAL 49 - HB2 TRP 20 lone 3 68 - 5 - Peak 2029 from cnoeabs.peaks (4.60, 3.70, 28.23 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 20 + HB2 TRP 20 OK 100 100 - 100 - 3.0=100 HA LEU 45 - HB2 TRP 20 OK 40 100 - 40 - 2039/1.8=9, 4532/3.9=7...(11) HA GLU 69 - HB2 TRP 20 OK 36 89 - 41 - 2039/1.8=7, 832/4.0=7...(12) HA ASP 47 - HB2 TRP 20 OK 10 90 - 11 - 2039/1.8=2, 832/4.0=2...(5) Peak 2030 from cnoeabs.peaks (3.70, 3.70, 28.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 20 + HB2 TRP 20 OK 100 100 - 100 Peak 2031 from cnoeabs.peaks (3.22, 3.70, 28.23 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TRP 20 + HB2 TRP 20 OK 100 100 - 100 - 1.8=100 HA GLN 42 - HB2 TRP 20 OK 16 97 - 16 - 2021/3.0=3, 58/4.5=2...(6) HD2 ARG 71 - HB2 TRP 20 OK 10 100 - 10 - 2021/3.0=2, 834/4.0=1 HB3 PHE 83 - HB2 TRP 20 lone 6 92 - 7 - 2021/3.0=1 HD2 ARG 81 - HB2 TRP 20 lone 4 76 - 5 - Peak 2032 from cnoeabs.peaks (7.29, 3.70, 28.23 ppm; 5.10 A): 1 out of 4 assignments used, quality = 1.00: * HD1 TRP 20 + HB2 TRP 20 OK 100 100 - 100 - 3.9=100 HZ PHE 40 - HB2 TRP 20 OK 20 100 - 20 - 2042/1.8=5, 2022/3.0=4...(7) QD PHE 96 - HB2 TRP 20 OK 12 90 - 13 - 2042/1.8=4, 2022/3.0=3...(4) HE ARG 57 - HB2 TRP 20 lone 4 71 - 6 - 2042/1.8=1, 2022/3.0=1 Peak 2033 from cnoeabs.peaks (7.55, 3.70, 28.23 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.99: * HE3 TRP 20 + HB2 TRP 20 OK 99 99 - 100 - 4.2=100 H CYS 52 - HB2 TRP 20 OK 20 90 - 22 - 2043/1.8=5, 60/4.5=5...(8) H CYS 76 - HB2 TRP 20 OK 18 99 - 18 - 2043/1.8=5, 836/4.0=3...(7) H SER 113 - HB2 TRP 20 poor 8 76 - 11 - 836/4.0=2, 2043/1.8=2...(4) Peak 2038 from cnoeabs.peaks (8.28, 3.22, 28.23 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.93: * H TRP 20 + HB3 TRP 20 OK 93 100 - 93 - 4.0=83, 833/1.8=30...(7) H GLU 69 - HB3 TRP 20 OK 23 92 - 25 - 2028/1.8=6, 2018/3.0=5...(7) H ILE 22 - HB3 TRP 20 OK 21 73 - 29 - 4.6/5466=13, 1563/3.0=5...(6) H CYS 87 - HB3 TRP 20 lone 6 65 - 10 - 1436/4.5=3, 3.6/2040=2...(4) H VAL 49 - HB3 TRP 20 lone 3 68 - 4 - Peak 2039 from cnoeabs.peaks (4.60, 3.22, 28.23 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 20 + HB3 TRP 20 OK 100 100 - 100 - 3.0=100 HA LEU 45 - HB3 TRP 20 OK 41 100 - 41 - 2029/1.8=8, 4532/3.9=7...(12) HA GLU 69 - HB3 TRP 20 OK 34 89 - 38 - 2029/1.8=7, 832/4.0=6...(12) HA ASP 47 - HB3 TRP 20 OK 10 90 - 11 - 2029/1.8=2, 832/4.0=2...(4) Peak 2040 from cnoeabs.peaks (3.70, 3.22, 28.23 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TRP 20 + HB3 TRP 20 OK 100 100 - 100 - 1.8=100 HD3 PRO 30 - HB3 TRP 20 OK 28 92 - 31 - 2020/3.0=5, 6589/3.9=4...(12) HA3 GLY 86 - HB3 TRP 20 OK 12 90 - 14 - 57/4.5=3, 2020/3.0=2...(6) HA2 GLY 104 - HB3 TRP 20 lone 7 98 - 7 - 2020/3.0=1, 833/4.0=1 HB3 SER 90 - HB3 TRP 20 lone 1 63 - 2 - Peak 2041 from cnoeabs.peaks (3.22, 3.22, 28.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 20 + HB3 TRP 20 OK 100 100 - 100 Peak 2042 from cnoeabs.peaks (7.29, 3.22, 28.23 ppm; 4.97 A): 1 out of 4 assignments used, quality = 1.00: * HD1 TRP 20 + HB3 TRP 20 OK 100 100 - 100 - 3.9=100 HZ PHE 40 - HB3 TRP 20 OK 17 100 - 17 - 2032/1.8=6, 2022/3.0=4...(5) QD PHE 96 - HB3 TRP 20 OK 12 90 - 13 - 2032/1.8=3, 2022/3.0=3...(4) HE ARG 57 - HB3 TRP 20 lone 4 71 - 6 - 2032/1.8=1, 2022/3.0=1 Peak 2043 from cnoeabs.peaks (7.55, 3.22, 28.23 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.99: * HE3 TRP 20 + HB3 TRP 20 OK 99 99 - 100 - 4.2=100 H CYS 52 - HB3 TRP 20 OK 21 90 - 23 - 60/4.5=5, 2033/1.8=5...(8) H CYS 76 - HB3 TRP 20 OK 17 99 - 17 - 2033/1.8=5, 836/4.0=3...(6) H SER 113 - HB3 TRP 20 lone 8 76 - 10 - 836/4.0=2, 2033/1.8=2...(4) Peak 2049 from cnoeabs.peaks (4.60, 7.29, 127.08 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.93: * HA TRP 20 + HD1 TRP 20 OK 87 100 - 88 - 4.5=77, 2024/2.6=25...(5) HA LEU 45 + HD1 TRP 20 OK 33 100 - 33 - 8387/2.6=6, 2039/3.9=6...(11) HA GLU 69 + HD1 TRP 20 OK 19 87 - 22 - 3.0/4632=5, 2029/3.9=5...(5) HA ASP 47 - HD1 TRP 20 lone 9 89 - 9 - 8387/2.6=2, ~8388=1...(5) Peak 2051 from cnoeabs.peaks (3.22, 7.29, 127.08 ppm; 5.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TRP 20 + HD1 TRP 20 OK 100 100 - 100 - 3.9=100 HA GLN 42 - HD1 TRP 20 OK 20 95 - 21 - 2031/3.9=5, 2021/4.5=4...(5) HD2 ARG 71 - HD1 TRP 20 OK 13 99 - 13 - 2031/3.9=3, 2021/4.5=3...(5) HB3 PHE 83 - HD1 TRP 20 lone 8 91 - 9 - 2031/3.9=2, 2021/4.5=2...(4) HD2 ARG 81 - HD1 TRP 20 lone 4 75 - 6 - 2031/3.9=1, 2021/4.5=1 Peak 2052 from cnoeabs.peaks (7.29, 7.29, 127.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD1 TRP 20 + HD1 TRP 20 OK 99 99 - 100 Peak 2054 from cnoeabs.peaks (10.21, 7.29, 127.08 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 20 + HD1 TRP 20 OK 100 100 - 100 - 2.6=100 Peak 2060 from cnoeabs.peaks (3.70, 7.55, 120.30 ppm; 4.85 A): 1 out of 5 assignments used, quality = 0.97: * HB2 TRP 20 + HE3 TRP 20 OK 97 97 - 100 - 4.2=100 HD3 PRO 30 - HE3 TRP 20 OK 20 87 - 23 - 6589/5.1=7, 2040/4.2=7...(5) HA3 GLY 86 - HE3 TRP 20 OK 12 85 - 14 - 2040/4.2=3, 2020/5.1=3...(7) HA2 GLY 104 - HE3 TRP 20 lone 7 94 - 7 - 2040/4.2=2, 2020/5.1=1...(4) HB3 SER 90 - HE3 TRP 20 lone 2 58 - 3 - Peak 2061 from cnoeabs.peaks (3.22, 7.55, 120.30 ppm; 5.15 A): 1 out of 5 assignments used, quality = 0.97: * HB3 TRP 20 + HE3 TRP 20 OK 97 97 - 100 - 4.2=100 HA GLN 42 - HE3 TRP 20 OK 19 92 - 21 - 2031/4.2=4, 2021/5.1=3...(7) HD2 ARG 71 - HE3 TRP 20 OK 11 97 - 11 - 2031/4.2=3, 2021/5.1=2...(4) HB3 PHE 83 - HE3 TRP 20 lone 8 87 - 9 - 2031/4.2=2, 2021/5.1=2...(4) HD2 ARG 81 - HE3 TRP 20 lone 4 71 - 6 - 2031/4.2=1 Peak 2063 from cnoeabs.peaks (7.55, 7.55, 120.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * HE3 TRP 20 + HE3 TRP 20 OK 96 96 - 100 Peak 2073 from cnoeabs.peaks (7.55, 6.90, 120.64 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.96: * HE3 TRP 20 + HZ3 TRP 20 OK 96 96 - 100 - 2.5=100 H CYS 76 - HZ3 TRP 20 OK 27 95 - 28 - 4560/2.4=6, 4.0/7334=3...(12) H CYS 52 - HZ3 TRP 20 OK 17 86 - 20 - 4560/2.4=3, 2043/6.4=3...(8) H SER 113 - HZ3 TRP 20 poor 9 71 - 12 - 7957/7949=2, 6344/6345=1...(5) Peak 2075 from cnoeabs.peaks (6.90, 6.90, 120.64 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * HZ3 TRP 20 + HZ3 TRP 20 OK 96 96 - 100 Peak 2077 from cnoeabs.peaks (6.79, 6.90, 120.64 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.98: * HH2 TRP 20 + HZ3 TRP 20 OK 98 98 - 100 - 2.4=100 H VAL 110 - HZ3 TRP 20 OK 19 97 - 20 - 2087/4.3=5, 4636/2.5=4...(7) QE TYR 67 - HZ3 TRP 20 OK 18 96 - 18 - 4636/2.5=4, 2087/4.3=3...(6) Peak 2084 from cnoeabs.peaks (10.21, 7.33, 114.08 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 20 + HZ2 TRP 20 OK 100 100 - 100 - 2.8=100 Peak 2086 from cnoeabs.peaks (7.33, 7.33, 114.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 20 + HZ2 TRP 20 OK 100 100 - 100 Peak 2087 from cnoeabs.peaks (6.79, 7.33, 114.08 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HH2 TRP 20 + HZ2 TRP 20 OK 100 100 - 100 - 2.5=100 H VAL 110 - HZ2 TRP 20 OK 21 100 - 21 - 7050/7049=3, 8073/8072=3...(9) QE TYR 67 - HZ2 TRP 20 OK 15 99 - 15 - 2077/4.3=2, ~3708=2...(7) Peak 2095 from cnoeabs.peaks (6.90, 6.79, 122.83 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.99: * HZ3 TRP 20 + HH2 TRP 20 OK 99 99 - 100 - 2.4=100 H LYS 46 - HH2 TRP 20 OK 27 100 - 27 - 4556/2.5=5, 4544/4.3=4...(8) HE22 GLN 103 - HH2 TRP 20 lone 8 100 - 8 - 4556/2.5=2 Peak 2096 from cnoeabs.peaks (7.33, 6.79, 122.83 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 20 + HH2 TRP 20 OK 100 100 - 100 - 2.5=100 Peak 2097 from cnoeabs.peaks (6.79, 6.79, 122.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 20 + HH2 TRP 20 OK 100 100 - 100 Peak 2098 from cnoeabs.peaks (8.21, 3.38, 57.72 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 21 + HA LEU 21 OK 100 100 - 100 - 3.0=100 H MET 11 - HA LEU 21 OK 34 100 - 34 - 2112/3.0=6, 2105/3.0=6...(8) H ASP 100 - HA LEU 21 OK 18 87 - 21 - 2112/3.0=4, 2133/3.7=3...(6) Peak 2099 from cnoeabs.peaks (3.38, 3.38, 57.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 21 + HA LEU 21 OK 100 100 - 100 Peak 2100 from cnoeabs.peaks (1.93, 3.38, 57.72 ppm; 3.91 A): 1 out of 19 assignments used, quality = 1.00: * HB2 LEU 21 + HA LEU 21 OK 100 100 - 100 - 3.0=100 HG LEU 58 - HA LEU 21 OK 40 99 - 41 - 7068/3.7=8, 8507/6403=8...(14) HB ILE 22 - HA LEU 21 OK 40 89 - 45 - 2147/3.6=14, 2.1/6402=5...(16) HB2 LEU 84 - HA LEU 21 OK 24 76 - 32 - 2106=4, 2111/3.7=3...(15) HB ILE 80 - HA LEU 21 OK 23 100 - 23 - 2114/3.0=3, 2128/3.7=2...(10) HB3 MET 11 - HA LEU 21 OK 18 97 - 19 - 4.1/2098=5, 8595/3.0=2...(7) HB3 GLU 69 - HA LEU 21 OK 15 89 - 17 - 843/3.0=2, ~56=2...(8) HB2 GLU 38 - HA LEU 21 OK 12 92 - 13 - 4.4/5990=2, 1.8/2102=1 HB3 GLU 64 - HA LEU 21 OK 12 98 - 12 - 2114/3.0=1, 3.0/2102=1 HB2 GLU 64 - HA LEU 21 OK 11 97 - 12 - 2114/3.0=1, 3.0/2102=1 HB3 LYS 119 - HA LEU 21 OK 11 89 - 12 - 8034/3.0=2, ~8031=2, 2128/3.7=1 HB3 ARG 85 - HA LEU 21 poor 9 81 - 11 - 3.0/5991=2, 67/3.6=1, 4.7/1199=1 HB2 ARG 85 - HA LEU 21 poor 9 81 - 11 - 3.0/5991=2, 67/3.6=1, 4.7/1199=1 HB3 GLU 73 - HA LEU 21 lone 8 92 - 9 - 850/3.6=1 HB3 PRO 30 - HA LEU 21 lone 8 81 - 9 - ~57=1 HB2 ARG 81 - HA LEU 21 lone 6 87 - 7 - HB2 GLU 28 - HA LEU 21 lone 6 78 - 7 - 850/3.6=2, 2142/4.9=1 HB2 LYS 109 - HA LEU 21 lone 5 97 - 5 - HB3 GLU 94 - HA LEU 21 lone 1 65 - 2 - Peak 2101 from cnoeabs.peaks (1.05, 3.38, 57.72 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 21 + HA LEU 21 OK 100 100 - 100 - 3.0=100 QD2 LEU 101 - HA LEU 21 OK 37 87 - 43 - 2108/3.0=5, 2136/3.7=5...(18) HG13 ILE 34 - HA LEU 21 OK 22 95 - 23 - 2108/3.0=3, 2129/3.7=3...(12) QG1 VAL 120 - HA LEU 21 OK 16 85 - 19 - 2108/3.0=3, 2136/3.7=2...(9) QG2 THR 33 - HA LEU 21 OK 15 100 - 15 - 4.0/5990=2, 68/3.6=2...(7) Peak 2102 from cnoeabs.peaks (2.08, 3.38, 57.72 ppm; 4.21 A): 1 out of 13 assignments used, quality = 0.99: * HG LEU 21 + HA LEU 21 OK 99 100 - 99 - 4.3=96, 2.1/2104=32...(12) HB2 LEU 101 - HA LEU 21 OK 40 89 - 45 - 4657/3.0=7, 3.1/2101=7...(15) HB2 ARG 57 - HA LEU 21 OK 24 97 - 25 - 8503/3.7=5, 2130/3.7=4...(9) HB ILE 63 - HA LEU 21 OK 18 85 - 21 - 3.2/7154=6, 845/3.0=2...(9) HG3 GLU 69 - HA LEU 21 OK 17 99 - 17 - 845/3.0=4, 69/3.6=2...(9) HB2 LEU 114 - HA LEU 21 OK 16 100 - 16 - 1.8/5991=3, 2137/3.7=2...(7) HB3 PRO 70 - HA LEU 21 OK 15 81 - 18 - ~1560=3, ~5977=2...(10) HB3 GLN 16 - HA LEU 21 OK 13 100 - 13 - 845/3.0=2, 69/3.6=1...(7) HB2 GLN 16 - HA LEU 21 OK 13 100 - 13 - 845/3.0=2, 69/3.6=1...(7) HG2 GLU 64 - HA LEU 21 OK 11 97 - 12 - 845/3.0=1, 2116/3.0=1...(6) HB3 GLU 38 - HA LEU 21 OK 11 76 - 15 - 4.4/5990=2, 8503/3.7=2...(5) HB2 GLU 15 - HA LEU 21 lone 9 100 - 9 - 845/3.0=2, 69/3.6=1, ~1558=1 HB2 GLN 105 - HA LEU 21 lone 8 99 - 8 - 4.0/5990=2 Peak 2103 from cnoeabs.peaks (0.65, 3.38, 57.72 ppm; 3.35 A): 2 out of 4 assignments used, quality = 0.97: * QD1 LEU 21 + HA LEU 21 OK 91 100 - 91 - 3.7=73, 2.1/2104=25...(17) QD2 LEU 24 + HA LEU 21 OK 65 98 - 67 - 2.1/6403=24, 3.1/5991=10...(13) QG2 VAL 26 - HA LEU 21 OK 33 60 - 54 - 8215=13, 4.0/6497=8...(16) QD1 LEU 45 - HA LEU 21 OK 21 98 - 21 - 846/3.0=3, 2117/3.0=3...(8) Peak 2104 from cnoeabs.peaks (0.23, 3.38, 57.72 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.90: * QD2 LEU 21 + HA LEU 21 OK 83 100 - 83 - 3.7=59, 847/3.0=14...(17) QD1 LEU 54 + HA LEU 21 OK 38 85 - 45 - 6993/6403=7, 6991=6...(12) Peak 2105 from cnoeabs.peaks (8.21, 1.93, 41.51 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.8=100 H MET 11 + HB2 LEU 21 OK 49 100 - 50 - 2112/1.8=10, 2133/3.1=8...(12) H ASP 100 - HB2 LEU 21 OK 26 87 - 30 - 2112/1.8=6, 2119/3.0=5...(8) H LEU 21 - HB2 LEU 84 OK 19 64 - 30 - 1560/3.0=6, 1562/4.3=5...(10) H MET 11 - HB2 LEU 84 lone 5 63 - 7 - H ASP 100 - HB2 LEU 84 lone 2 49 - 5 - 1726/4.0=1 Peak 2106 from cnoeabs.peaks (3.38, 1.93, 41.51 ppm; 4.32 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.0=100 HA VAL 50 + HB2 LEU 21 OK 64 99 - 65 - 2113/1.8=13, 2134/3.1=12...(18) HA LEU 21 - HB2 LEU 84 OK 24 64 - 37 - 3.7/2111=4, 3.0/2108=4...(16) HA2 GLY 86 - HB2 LEU 21 OK 19 65 - 29 - 3.6/5473=4, 2113/1.8=4...(11) HA VAL 50 - HB2 LEU 84 poor 8 61 - 13 - 3049/3.0=1, ~8283=1 HB3 PHE 40 - HB2 LEU 84 poor 6 33 - 19 - ~7479=5, ~7476=3...(6) HA2 GLY 86 - HB2 LEU 84 poor 5 35 - 15 - ~1695=6, ~6149=4, 3.6/5473=4 HB3 PHE 40 - HB2 LEU 21 lone 5 63 - 7 - 2113/1.8=1 Peak 2107 from cnoeabs.peaks (1.93, 1.93, 41.51 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 HB2 LEU 84 - HB2 LEU 84 OK 41 41 - 100 Peak 2108 from cnoeabs.peaks (1.05, 1.93, 41.51 ppm; 3.61 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 1.8=100 QD2 LEU 101 - HB2 LEU 21 OK 44 87 - 51 - 2136/3.1=6, 2129/3.1=6...(23) HG13 ILE 34 - HB2 LEU 21 OK 26 95 - 27 - ~2613=3, 2101/3.0=3...(12) QG1 VAL 120 - HB2 LEU 21 OK 23 85 - 27 - 8046=4, 2136/3.1=3...(14) HB3 LEU 21 - HB2 LEU 84 OK 23 64 - 36 - 5977/3.0=4, 2114=4...(18) QG2 THR 33 - HB2 LEU 21 OK 12 100 - 12 - 2101/3.0=2, 68/4.6=2...(7) QD2 LEU 101 - HB2 LEU 84 poor 9 49 - 19 - 7711/3.1=4, ~7708=3...(5) QG1 VAL 120 - HB2 LEU 84 poor 5 48 - 11 - 2.1/8058=1, 8049/3.1=1, 8046=1 HG13 ILE 34 - HB2 LEU 84 lone 1 56 - 1 - QG2 THR 33 - HB2 LEU 84 lone 1 64 - 1 - Peak 2109 from cnoeabs.peaks (2.08, 1.93, 41.51 ppm; 4.32 A): 2 out of 26 assignments used, quality = 1.00: * HG LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.0=100 HB2 LEU 101 + HB2 LEU 21 OK 55 89 - 62 - 4657/1.8=9, ~4664=7...(24) HB2 ARG 57 - HB2 LEU 21 OK 36 97 - 37 - 8503/3.1=5, ~8502=5...(17) HG LEU 21 - HB2 LEU 84 OK 30 64 - 47 - 6407/1.8=7, 2.1/2111=6...(17) HB2 LEU 114 - HB2 LEU 84 OK 27 64 - 43 - 7942/1.8=6, ~7946=4...(20) HG3 GLU 69 - HB2 LEU 21 OK 24 99 - 24 - 845/3.8=3, 2116/1.8=2...(10) HB2 LEU 114 - HB2 LEU 21 OK 23 100 - 23 - 2137/3.1=3, ~6411=2...(10) HB ILE 63 - HB2 LEU 21 OK 22 85 - 26 - ~7154=4, 2116/1.8=2...(12) HB3 PRO 70 - HB2 LEU 21 OK 19 81 - 23 - 3.0/5975=4, ~5977=3...(9) HB3 GLN 16 - HB2 LEU 21 OK 15 100 - 15 - 845/3.8=2, 2116/1.8=2...(7) HB2 GLN 16 - HB2 LEU 21 OK 15 100 - 15 - 845/3.8=2, 2116/1.8=2...(7) HB3 GLU 38 - HB2 LEU 21 OK 15 76 - 19 - 8503/3.1=2, ~6420=2...(7) HG2 GLU 64 - HB2 LEU 21 OK 14 97 - 14 - 2116/1.8=2, 2130/3.1=1...(5) HB ILE 63 - HB2 LEU 84 OK 12 48 - 24 - ~4252=3, ~4238=2...(15) HB2 GLU 15 - HB2 LEU 21 OK 10 100 - 10 - 845/3.8=2, 69/4.6=1, 2116/1.8=1 HB2 LEU 101 - HB2 LEU 84 poor 10 51 - 19 - ~7708=3, ~7486=3...(6) HB2 GLN 105 - HB2 LEU 21 lone 7 99 - 7 - HB2 GLU 15 - HB2 LEU 84 lone 4 63 - 6 - 1910/4.3=2 HB2 ARG 57 - HB2 LEU 84 lone 3 58 - 5 - HB3 GLU 38 - HB2 LEU 84 lone 2 41 - 4 - HG2 GLU 64 - HB2 LEU 84 lone 2 58 - 3 - HB3 GLN 16 - HB2 LEU 84 lone 1 63 - 2 - HB2 GLN 16 - HB2 LEU 84 lone 1 63 - 2 - HB3 PRO 70 - HB2 LEU 84 lone 1 45 - 3 - HG3 GLU 69 - HB2 LEU 84 lone 1 61 - 2 - HB2 GLN 105 - HB2 LEU 84 lone 1 62 - 2 - Peak 2110 from cnoeabs.peaks (0.65, 1.93, 41.51 ppm; 3.73 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.1=100 QD2 LEU 24 + HB2 LEU 21 OK 82 98 - 84 - ~6415=16, ~6403=15...(26) QG2 VAL 26 - HB2 LEU 21 OK 31 60 - 52 - 8215/3.0=9, 8230/3.8=8...(18) QD1 LEU 45 - HB2 LEU 21 OK 31 98 - 31 - 2117/1.8=5, 2138/3.1=4...(14) QD1 LEU 21 - HB2 LEU 84 OK 26 64 - 42 - 6417/3.0=7, 6416/1.8=6...(15) QD2 LEU 24 - HB2 LEU 84 lone 6 60 - 10 - 8206/1.8=2, 4.8/8200=1 QD1 LEU 45 - HB2 LEU 84 lone 3 60 - 5 - ~6841=1 QG2 VAL 26 - HB2 LEU 84 lone 1 31 - 4 - Peak 2111 from cnoeabs.peaks (0.23, 1.93, 41.51 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.1=100 QD1 LEU 54 + HB2 LEU 21 OK 59 85 - 70 - 2118/1.8=14, 2104/3.0=13...(18) QD2 LEU 21 - HB2 LEU 84 OK 29 64 - 46 - 6413/1.8=7, ~6417=5...(18) QD1 LEU 54 - HB2 LEU 84 poor 6 48 - 12 - 6989=1 Peak 2112 from cnoeabs.peaks (8.21, 1.05, 41.51 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.8=100 H MET 11 - HB3 LEU 21 OK 45 100 - 45 - 2105/1.8=10, 2133/3.1=9...(8) H ASP 100 - HB3 LEU 21 OK 27 87 - 31 - 2105/1.8=5, 2119/3.0=5...(8) Peak 2113 from cnoeabs.peaks (3.38, 1.05, 41.51 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.0=100 HA VAL 50 + HB3 LEU 21 OK 61 99 - 61 - 2134/3.1=12, 2106/1.8=10...(17) HA2 GLY 86 - HB3 LEU 21 OK 19 65 - 29 - 3.6/5474=5, 2106/1.8=3...(12) HB3 PHE 40 - HB3 LEU 21 lone 5 63 - 8 - 6740/2606=1 Peak 2114 from cnoeabs.peaks (1.93, 1.05, 41.51 ppm; 3.62 A): 1 out of 19 assignments used, quality = 1.00: * HB2 LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 1.8=100 HB ILE 22 - HB3 LEU 21 OK 39 89 - 44 - 3.9/68=10, 2.1/6404=4...(20) HG LEU 58 - HB3 LEU 21 OK 37 99 - 37 - 7068/3.1=8, 8506/3.1=6...(17) HB ILE 80 - HB3 LEU 21 OK 30 100 - 30 - ~8344=4, 2.1/7401=3...(14) HB2 LEU 84 - HB3 LEU 21 OK 28 76 - 37 - 2108=5, 3.0/5977=4...(18) HB3 MET 11 - HB3 LEU 21 OK 17 97 - 17 - 4.1/2112=4, ~1841=2...(9) HB3 GLU 69 - HB3 LEU 21 OK 15 89 - 17 - 4.8/5977=2, 843/3.8=2...(7) HB3 LYS 119 - HB3 LEU 21 OK 15 89 - 16 - 8034=2, 1.8/8031=2...(4) HB3 GLU 64 - HB3 LEU 21 OK 13 98 - 13 - HB2 GLU 64 - HB3 LEU 21 OK 13 97 - 13 - HB2 GLU 38 - HB3 LEU 21 OK 12 92 - 13 - ~6420=1 HB3 GLU 73 - HB3 LEU 21 lone 8 92 - 9 - HB3 PRO 30 - HB3 LEU 21 lone 8 81 - 10 - 2.3/8249=1 HB2 ARG 85 - HB3 LEU 21 lone 6 81 - 8 - HB3 ARG 85 - HB3 LEU 21 lone 6 81 - 8 - HB2 ARG 81 - HB3 LEU 21 lone 5 87 - 5 - HB2 LYS 109 - HB3 LEU 21 lone 4 97 - 4 - HB2 GLU 28 - HB3 LEU 21 lone 4 78 - 5 - 850/4.6=1 HB3 GLU 94 - HB3 LEU 21 lone 1 65 - 1 - Peak 2115 from cnoeabs.peaks (1.05, 1.05, 41.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 21 + HB3 LEU 21 OK 100 100 - 100 Peak 2116 from cnoeabs.peaks (2.08, 1.05, 41.51 ppm; 4.48 A): 2 out of 13 assignments used, quality = 1.00: * HG LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.0=100 HB2 LEU 101 + HB3 LEU 21 OK 63 89 - 71 - 4657=10, 1.8/4664=9...(28) HB2 ARG 57 - HB3 LEU 21 OK 34 97 - 36 - 8503/3.1=6, ~8502=5...(16) HB2 LEU 114 - HB3 LEU 21 OK 24 100 - 24 - 2137/3.1=3, ~6411=3...(11) HG3 GLU 69 - HB3 LEU 21 OK 23 99 - 23 - 845/3.8=4, 2109/1.8=2...(9) HB ILE 63 - HB3 LEU 21 OK 22 85 - 26 - ~7154=4, 3.2/6404=2...(12) HB3 PRO 70 - HB3 LEU 21 OK 22 81 - 27 - 3.0/5977=4, ~5975=3...(10) HG2 GLU 64 - HB3 LEU 21 OK 16 97 - 16 - 3.0/2114=1, 3.0/2114=1...(7) HB3 GLN 16 - HB3 LEU 21 OK 16 100 - 16 - 845/3.8=2, 2102/3.0=1...(8) HB2 GLN 16 - HB3 LEU 21 OK 16 100 - 16 - 845/3.8=2, 2102/3.0=1...(8) HB3 GLU 38 - HB3 LEU 21 OK 14 76 - 18 - 8503/3.1=2, ~6420=2...(7) HB2 GLU 15 - HB3 LEU 21 OK 11 100 - 11 - 845/3.8=2, 69/4.6=1, 2102/3.0=1 HB2 GLN 105 - HB3 LEU 21 lone 7 99 - 7 - Peak 2117 from cnoeabs.peaks (0.65, 1.05, 41.51 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.1=100 QD2 LEU 24 + HB3 LEU 21 OK 80 98 - 82 - ~6415=16, ~6403=15...(24) QG2 VAL 26 - HB3 LEU 21 OK 31 60 - 52 - 8215/3.0=9, 8230/3.8=8...(16) QD1 LEU 45 - HB3 LEU 21 OK 30 98 - 31 - 2110/1.8=4, 2138/3.1=4...(14) Peak 2118 from cnoeabs.peaks (0.23, 1.05, 41.51 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.1=100 QD1 LEU 54 + HB3 LEU 21 OK 54 85 - 64 - 2104/3.0=12, 2132/3.1=11...(16) Peak 2119 from cnoeabs.peaks (8.21, 2.08, 26.23 ppm; 3.99 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 21 + HG LEU 21 OK 91 100 - 91 - 4.7=61, 847/2.1=26...(16) H MET 11 + HG LEU 21 OK 37 100 - 37 - 2133/2.1=9, 2126/2.1=9...(8) H ASP 100 - HG LEU 21 OK 23 87 - 26 - 2133/2.1=5, 2126/2.1=5...(7) Peak 2120 from cnoeabs.peaks (3.38, 2.08, 26.23 ppm; 4.98 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 21 + HG LEU 21 OK 100 100 - 100 - 4.3=100 HA VAL 50 + HG LEU 21 OK 68 99 - 69 - 2127/2.1=15, 2134/2.1=15...(12) HA2 GLY 86 - HG LEU 21 OK 17 65 - 26 - 2127/2.1=4, 2113/3.0=4...(8) HB3 PHE 40 - HG LEU 21 lone 4 63 - 7 - 2113/3.0=1 Peak 2121 from cnoeabs.peaks (1.93, 2.08, 26.23 ppm; 4.36 A): 3 out of 19 assignments used, quality = 1.00: * HB2 LEU 21 + HG LEU 21 OK 100 100 - 100 - 3.0=100 HG LEU 58 + HG LEU 21 OK 51 99 - 52 - 7068/2.1=14, 8506/2.1=10...(18) HB ILE 22 + HG LEU 21 OK 46 89 - 52 - 3.9/69=7, 2.1/6406=5...(19) HB ILE 80 - HG LEU 21 OK 41 100 - 41 - ~8344=8, 3.2/8343=4...(17) HB2 LEU 84 - HG LEU 21 OK 36 76 - 48 - 1.8/6407=7, 2111/2.1=6...(17) HB3 MET 11 - HG LEU 21 OK 22 97 - 23 - 4.1/2119=7, ~1841=2...(11) HB3 GLU 69 - HG LEU 21 OK 21 89 - 24 - 3776=2, 843/4.7=2...(13) HB3 GLU 64 - HG LEU 21 OK 20 98 - 20 - 2135/2.1=2, 2128/2.1=2...(7) HB2 GLU 64 - HG LEU 21 OK 19 97 - 20 - 2135/2.1=2, 2128/2.1=2...(7) HB2 GLU 38 - HG LEU 21 OK 18 92 - 19 - ~6420=2, ~8503=2...(7) HB3 LYS 119 - HG LEU 21 OK 17 89 - 19 - 2.9/6407=2, 8034/3.0=2...(7) HB3 GLU 73 - HG LEU 21 OK 11 92 - 12 - ~6420=2, ~8738=1...(5) HB3 PRO 30 - HG LEU 21 poor 9 81 - 11 - 8034/3.0=1, ~8249=1 HB2 ARG 85 - HG LEU 21 lone 7 81 - 9 - HB3 ARG 85 - HG LEU 21 lone 7 81 - 9 - HB2 ARG 81 - HG LEU 21 lone 6 87 - 7 - HB2 LYS 109 - HG LEU 21 lone 6 97 - 6 - HB2 GLU 28 - HG LEU 21 lone 5 78 - 6 - HB3 GLU 94 - HG LEU 21 lone 1 65 - 2 - Peak 2122 from cnoeabs.peaks (1.05, 2.08, 26.23 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 21 + HG LEU 21 OK 100 100 - 100 - 3.0=100 QD2 LEU 101 + HG LEU 21 OK 59 87 - 69 - 2136/2.1=10, 2129/2.1=10...(23) HG13 ILE 34 - HG LEU 21 OK 29 95 - 31 - 2129/2.1=5, 2136/2.1=5...(10) QG1 VAL 120 - HG LEU 21 OK 25 85 - 30 - ~6412=5, 2136/2.1=5...(11) QG2 THR 33 - HG LEU 21 OK 15 100 - 15 - 2136/2.1=3, 2129/2.1=3...(6) Peak 2123 from cnoeabs.peaks (2.08, 2.08, 26.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 21 + HG LEU 21 OK 100 100 - 100 Peak 2124 from cnoeabs.peaks (0.65, 2.08, 26.23 ppm; 3.13 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 21 + HG LEU 21 OK 100 100 - 100 - 2.1=100 QD2 LEU 24 + HG LEU 21 OK 60 98 - 61 - ~6415=15, 6463/2.1=12...(16) QD1 LEU 45 - HG LEU 21 OK 22 98 - 22 - 2138/2.1=4, ~6511=3...(11) QG2 VAL 26 - HG LEU 21 OK 20 60 - 34 - 8213/2.1=7, ~8223=4...(11) Peak 2125 from cnoeabs.peaks (0.23, 2.08, 26.23 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 21 + HG LEU 21 OK 100 100 - 100 - 2.1=100 QD1 LEU 54 + HG LEU 21 OK 50 85 - 59 - 2132/2.1=12, 2118/3.0=9...(15) Peak 2126 from cnoeabs.peaks (8.21, 0.65, 26.22 ppm; 3.72 A): 3 out of 3 assignments used, quality = 0.93: * H LEU 21 + QD1 LEU 21 OK 87 100 - 87 - 4.7=50, 847/2.1=24...(13) H MET 11 + QD1 LEU 21 OK 34 100 - 35 - 2133/2.1=8, 2119/2.1=8...(7) H ASP 100 + QD1 LEU 21 OK 19 87 - 22 - 2133/2.1=5, 2119/2.1=5...(7) Peak 2127 from cnoeabs.peaks (3.38, 0.65, 26.22 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 21 + QD1 LEU 21 OK 100 100 - 100 - 3.7=100 HA VAL 50 + QD1 LEU 21 OK 62 99 - 63 - 2134/2.1=14, 2113/3.1=10...(14) HA2 GLY 86 - QD1 LEU 21 OK 18 65 - 27 - 3.6/5476=5, 2134/2.1=4...(10) HB3 PHE 40 - QD1 LEU 21 lone 3 63 - 5 - Peak 2128 from cnoeabs.peaks (1.93, 0.65, 26.22 ppm; 3.21 A): 1 out of 19 assignments used, quality = 1.00: * HB2 LEU 21 + QD1 LEU 21 OK 100 100 - 100 - 3.1=100 HG LEU 58 - QD1 LEU 21 OK 38 99 - 38 - 7068/2.1=8, 8506=6...(14) HB ILE 22 - QD1 LEU 21 OK 32 89 - 36 - 3.9/5476=7, 2.1/6414=5...(15) HB ILE 80 - QD1 LEU 21 OK 25 100 - 25 - 3.2/8344=7, 2135/2.1=2...(10) HB2 LEU 84 - QD1 LEU 21 OK 24 76 - 32 - 1.8/6416=5, 3.0/6417=5...(13) HB3 MET 11 - QD1 LEU 21 OK 12 97 - 12 - 4.1/2126=4, 2135/2.1=1 HB3 GLU 69 - QD1 LEU 21 OK 11 89 - 13 - 3776/2.1=1, 4.8/6417=1 HB3 LYS 119 - QD1 LEU 21 OK 11 89 - 12 - 2.9/6416=2, 8034/3.1=1 HB3 GLU 64 - QD1 LEU 21 OK 10 98 - 10 - HB2 GLU 64 - QD1 LEU 21 OK 10 97 - 10 - HB2 GLU 38 - QD1 LEU 21 poor 9 92 - 10 - ~6420=1, 1.8/2130=1 HB3 GLU 73 - QD1 LEU 21 lone 8 92 - 8 - HB3 PRO 30 - QD1 LEU 21 lone 5 81 - 6 - HB2 ARG 85 - QD1 LEU 21 lone 4 81 - 5 - HB3 ARG 85 - QD1 LEU 21 lone 4 81 - 5 - HB2 LYS 109 - QD1 LEU 21 lone 4 97 - 4 - HB2 ARG 81 - QD1 LEU 21 lone 4 87 - 4 - HB2 GLU 28 - QD1 LEU 21 lone 3 78 - 4 - HB3 GLU 94 - QD1 LEU 21 lone 1 65 - 1 - Peak 2129 from cnoeabs.peaks (1.05, 0.65, 26.22 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 21 + QD1 LEU 21 OK 100 100 - 100 - 3.1=100 QD2 LEU 101 - QD1 LEU 21 OK 36 87 - 42 - 2136/2.1=7, 2122/2.1=5...(20) HG13 ILE 34 - QD1 LEU 21 OK 18 95 - 19 - 2136/2.1=3, 2108/3.1=2...(10) QG1 VAL 120 - QD1 LEU 21 OK 15 85 - 18 - 2136/2.1=3, ~6412=3...(6) QG2 THR 33 - QD1 LEU 21 lone 9 100 - 9 - 2136/2.1=2, 2101/3.7=1...(6) Peak 2130 from cnoeabs.peaks (2.08, 0.65, 26.22 ppm; 3.12 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 21 + QD1 LEU 21 OK 100 100 - 100 - 2.1=100 HB2 LEU 101 - QD1 LEU 21 OK 32 89 - 37 - 3.1/2129=4, 2137/2.1=4...(20) HB2 ARG 57 - QD1 LEU 21 OK 27 97 - 28 - 2137/2.1=4, 3.0/7039=3...(11) HB2 LEU 114 - QD1 LEU 21 OK 14 100 - 14 - 2137/2.1=2, ~6411=2, ~5072=1 HG3 GLU 69 - QD1 LEU 21 OK 11 99 - 11 - 2137/2.1=1, 845/4.7=1 HB3 PRO 70 - QD1 LEU 21 OK 11 81 - 13 - 3.0/6417=2, 2137/2.1=1 HB ILE 63 - QD1 LEU 21 poor 9 85 - 11 - 2137/2.1=1 HB3 GLN 16 - QD1 LEU 21 lone 9 100 - 9 - 6339/8194=1, 2137/2.1=1 HB2 GLN 16 - QD1 LEU 21 lone 9 100 - 9 - 6339/8194=1, 2137/2.1=1 HG2 GLU 64 - QD1 LEU 21 lone 8 97 - 8 - 2137/2.1=1 HB3 GLU 38 - QD1 LEU 21 lone 7 76 - 9 - ~6420=1 HB2 GLU 15 - QD1 LEU 21 lone 5 100 - 5 - HB2 GLN 105 - QD1 LEU 21 lone 4 99 - 4 - Peak 2131 from cnoeabs.peaks (0.65, 0.65, 26.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 21 + QD1 LEU 21 OK 100 100 - 100 Peak 2132 from cnoeabs.peaks (0.23, 0.65, 26.22 ppm; 2.95 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 21 + QD1 LEU 21 OK 100 100 - 100 - 2.1=100 QD1 LEU 54 - QD1 LEU 21 OK 41 85 - 49 - 2125/2.1=7, 6984=6...(16) Peak 2133 from cnoeabs.peaks (8.21, 0.23, 23.90 ppm; 3.74 A): 3 out of 3 assignments used, quality = 0.93: * H LEU 21 + QD2 LEU 21 OK 86 100 - 87 - 4.7=51, 3.0/2104=23...(13) H MET 11 + QD2 LEU 21 OK 35 100 - 35 - 2126/2.1=9, 2119/2.1=8...(7) H ASP 100 + QD2 LEU 21 OK 19 87 - 22 - 2126/2.1=5, 2119/2.1=5...(7) Peak 2134 from cnoeabs.peaks (3.38, 0.23, 23.90 ppm; 3.03 A): 3 out of 4 assignments used, quality = 0.89: * HA LEU 21 + QD2 LEU 21 OK 80 100 - 80 - 3.7=54, 3.0/847=13...(17) HA VAL 50 + QD2 LEU 21 OK 39 99 - 40 - 3.2/6511=8, 2127/2.1=6...(11) HA2 GLY 86 + QD2 LEU 21 OK 10 65 - 15 - 3.6/5477=3, 2127/2.1=2...(8) HB3 PHE 40 - QD2 LEU 21 lone 2 63 - 3 - Peak 2135 from cnoeabs.peaks (1.93, 0.23, 23.90 ppm; 3.68 A): 2 out of 19 assignments used, quality = 1.00: * HB2 LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 3.1=100 HG LEU 58 + QD2 LEU 21 OK 54 99 - 54 - 7068=9, 8507/6415=8...(19) HB ILE 22 - QD2 LEU 21 OK 42 89 - 48 - 3.9/71=11, 2.9/6411=6...(17) HB ILE 80 - QD2 LEU 21 OK 33 100 - 34 - ~8344=6, 3.0/6411=5...(11) HB2 LEU 84 - QD2 LEU 21 OK 29 76 - 38 - 1.8/6413=5, 2111=5...(15) HB3 MET 11 - QD2 LEU 21 OK 16 97 - 17 - 4.1/2133=5, 2128/2.1=2...(8) HB3 GLU 64 - QD2 LEU 21 OK 14 98 - 14 - 2128/2.1=1, 2121/2.1=1...(4) HB3 LYS 119 - QD2 LEU 21 OK 14 89 - 16 - 2.9/6413=2, 8034/3.1=2...(6) HB2 GLU 64 - QD2 LEU 21 OK 14 97 - 14 - 2128/2.1=1, 2121/2.1=1 HB3 GLU 69 - QD2 LEU 21 OK 13 89 - 15 - 3776/2.1=2, 2128/2.1=1...(5) HB2 GLU 38 - QD2 LEU 21 OK 13 92 - 14 - 3.0/6420=2, 1.8/2137=1...(4) HB3 GLU 73 - QD2 LEU 21 OK 11 92 - 12 - 3.0/6420=2, ~8738=1 HB3 PRO 30 - QD2 LEU 21 lone 7 81 - 9 - 3.0/6420=1 HB2 LYS 109 - QD2 LEU 21 lone 6 97 - 6 - HB3 ARG 85 - QD2 LEU 21 lone 6 81 - 7 - HB2 ARG 85 - QD2 LEU 21 lone 6 81 - 7 - HB2 ARG 81 - QD2 LEU 21 lone 5 87 - 6 - HB2 GLU 28 - QD2 LEU 21 lone 5 78 - 6 - HB3 GLU 94 - QD2 LEU 21 lone 1 65 - 1 - Peak 2136 from cnoeabs.peaks (1.05, 0.23, 23.90 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 3.1=100 QD2 LEU 101 - QD2 LEU 21 OK 41 87 - 47 - 2129/2.1=7, 2122/2.1=6...(20) HG13 ILE 34 - QD2 LEU 21 OK 20 95 - 21 - 2129/2.1=4, 2122/2.1=3...(11) QG1 VAL 120 - QD2 LEU 21 OK 19 85 - 22 - 2.1/6412=5, 2129/2.1=3...(10) QG2 THR 33 - QD2 LEU 21 OK 10 100 - 10 - 2129/2.1=2, 2101/3.7=2...(6) Peak 2137 from cnoeabs.peaks (2.08, 0.23, 23.90 ppm; 3.19 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 2.1=100 HB2 LEU 101 - QD2 LEU 21 OK 34 89 - 38 - 3.1/2136=5, 2130/2.1=4...(20) HB2 ARG 57 - QD2 LEU 21 OK 29 97 - 30 - 4.2/7054=5, 3.0/8502=4...(10) HB2 LEU 114 - QD2 LEU 21 OK 17 100 - 17 - 3.1/6411=3, 2130/2.1=2...(5) HG3 GLU 69 - QD2 LEU 21 OK 11 99 - 11 - 2130/2.1=1, 845/4.7=1 HB3 PRO 70 - QD2 LEU 21 OK 10 81 - 13 - 2130/2.1=1, ~6417=1, ~5977=1 HB ILE 63 - QD2 LEU 21 poor 10 85 - 11 - 2130/2.1=1 HB3 GLN 16 - QD2 LEU 21 lone 9 100 - 9 - 6339/6337=1, 2130/2.1=1 HB2 GLN 16 - QD2 LEU 21 lone 9 100 - 9 - 6339/6337=1, 2130/2.1=1 HG2 GLU 64 - QD2 LEU 21 lone 8 97 - 8 - 2130/2.1=1 HB3 GLU 38 - QD2 LEU 21 poor 8 76 - 11 - 3.0/6420=2 HB2 GLU 15 - QD2 LEU 21 lone 5 100 - 5 - HB2 GLN 105 - QD2 LEU 21 lone 4 99 - 4 - Peak 2138 from cnoeabs.peaks (0.65, 0.23, 23.90 ppm; 2.62 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 2.1=100 QD2 LEU 24 + QD2 LEU 21 OK 53 98 - 54 - 2.1/6415=19, 6463=7...(16) QG2 VAL 26 - QD2 LEU 21 OK 22 60 - 36 - 8213=6, 4.1/6513=4...(12) QD1 LEU 45 - QD2 LEU 21 OK 20 98 - 20 - 2.1/6511=4, 2124/2.1=2...(7) Peak 2139 from cnoeabs.peaks (0.23, 0.23, 23.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 21 + QD2 LEU 21 OK 100 100 - 100 Peak 2140 from cnoeabs.peaks (8.30, 4.21, 64.47 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 22 + HA ILE 22 OK 100 100 - 100 - 3.0=100 H CYS 87 - HA ILE 22 OK 43 100 - 43 - 2154/3.2=8, 1701/3.6=8...(11) H TRP 20 - HA ILE 22 OK 24 73 - 33 - 72/3.6=4, ~1563=4...(14) H THR 62 - HA ILE 22 OK 12 68 - 18 - 2154/3.2=2, 7094/3.9=2...(8) H GLY 125 - HA ILE 22 poor 9 78 - 11 - 4.6/1420=1, 2154/3.2=1...(4) Peak 2141 from cnoeabs.peaks (4.21, 4.21, 64.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 22 + HA ILE 22 OK 100 100 - 100 Peak 2142 from cnoeabs.peaks (1.91, 4.21, 64.47 ppm; 3.61 A): 2 out of 17 assignments used, quality = 1.00: * HB ILE 22 + HA ILE 22 OK 100 100 - 100 - 3.0=100 HB2 LEU 21 + HA ILE 22 OK 47 89 - 53 - ~68=8, 850/3.0=7, ~71=6...(23) HB2 LEU 84 - HA ILE 22 OK 33 99 - 33 - 5764/3.6=5, 4.3/5478=4...(13) HB2 GLU 28 - HA ILE 22 OK 31 100 - 31 - 6564/3.2=7, 2177/4.2=3...(12) HG LEU 55 - HA ILE 22 OK 29 71 - 42 - 2.1/2145=7, 2.1/2143=4...(19) HG LEU 84 - HA ILE 22 OK 16 81 - 20 - 5766/3.6=3, ~6436=2...(8) HB ILE 80 - HA ILE 22 OK 16 95 - 17 - ~6432=2, ~6430=2...(5) HB3 GLU 73 - HA ILE 22 OK 14 100 - 14 - 2156/3.2=1, 2163/3.9=1...(6) HG LEU 58 - HA ILE 22 OK 12 76 - 16 - ~7051=2, 67/3.0=2...(7) HB2 LYS 119 - HA ILE 22 poor 9 73 - 12 - 8030/3.9=1, ~5982=1...(4) HB2 ARG 81 - HA ILE 22 lone 7 100 - 7 - HB VAL 50 - HA ILE 22 lone 7 73 - 10 - 3053/4.9=2, ~66=2 HB3 MET 11 - HA ILE 22 lone 5 99 - 5 - HB3 LYS 31 - HA ILE 22 lone 3 73 - 5 - HB3 GLU 64 - HA ILE 22 lone 3 68 - 4 - HB2 LYS 109 - HA ILE 22 lone 3 63 - 4 - HB2 GLU 64 - HA ILE 22 lone 3 63 - 4 - Peak 2143 from cnoeabs.peaks (0.92, 4.21, 64.47 ppm; 3.00 A): 3 out of 11 assignments used, quality = 0.98: * QG2 ILE 22 + HA ILE 22 OK 93 100 - 93 - 3.2=83, 3.0/2146=10...(21) QD2 LEU 27 + HA ILE 22 OK 48 100 - 48 - 4.4/6423=8, 6537/3.0=6...(20) QD1 LEU 27 + HA ILE 22 OK 47 100 - 47 - 4.4/6423=8, 3.1/6431=5...(21) QD1 LEU 55 - HA ILE 22 OK 31 97 - 32 - 2.1/2145=5, ~7005=3...(15) QG2 VAL 115 - HA ILE 22 OK 30 100 - 30 - 7975=5, 2.1/2145=3...(14) QD1 LEU 41 - HA ILE 22 OK 16 99 - 16 - 2.1/2144=2, 6538/3.0=1...(4) QD1 ILE 63 - HA ILE 22 OK 15 89 - 17 - 7146=3, 7154/4.9=2...(4) QD1 LEU 126 - HA ILE 22 poor 9 90 - 10 - 2.1/5418=2, 5411=1 QG2 VAL 49 - HA ILE 22 lone 8 100 - 8 - HB2 GLN 42 - HA ILE 22 lone 6 99 - 6 - QD1 LEU 117 - HA ILE 22 lone 6 92 - 6 - Peak 2144 from cnoeabs.peaks (1.85, 4.21, 64.47 ppm; 3.61 A): 1 out of 13 assignments used, quality = 0.95: * HG12 ILE 22 + HA ILE 22 OK 95 100 - 95 - 3.9=78, 2.1/2146=18...(19) HB3 GLU 28 - HA ILE 22 OK 23 81 - 29 - 2158/3.2=4, ~6564=4...(11) HG LEU 41 - HA ILE 22 OK 21 92 - 23 - 852/3.0=3, 2158/3.2=2...(9) HG3 GLU 73 - HA ILE 22 OK 19 99 - 20 - 2151/3.0=3, 2158/3.2=2...(11) HG2 GLU 73 - HA ILE 22 OK 19 98 - 20 - 2151/3.0=3, 2158/3.2=2...(11) HG3 ARG 53 - HA ILE 22 OK 13 83 - 16 - 8288/4.9=3, 3.0/8429=2...(6) HG13 ILE 63 - HA ILE 22 OK 11 65 - 17 - 2.1/7146=4, 8311=1...(6) HB2 LEU 58 - HA ILE 22 OK 11 76 - 14 - 2151/3.0=2, 852/3.0=2...(6) HB2 GLU 69 - HA ILE 22 poor 10 93 - 11 - 852/3.0=2, ~1563=2...(4) HG3 PRO 68 - HA ILE 22 lone 7 81 - 9 - 2158/3.2=1 HB3 LYS 109 - HA ILE 22 lone 5 89 - 5 - HB3 GLN 105 - HA ILE 22 lone 2 60 - 4 - HB2 ARG 92 - HA ILE 22 lone 1 65 - 2 - Peak 2145 from cnoeabs.peaks (0.84, 4.21, 64.47 ppm; 3.47 A): 2 out of 8 assignments used, quality = 0.95: * HG13 ILE 22 + HA ILE 22 OK 92 100 - 92 - 3.9=70, 1.8/2144=14...(18) QD2 LEU 55 + HA ILE 22 OK 41 97 - 43 - 7005/3.0=6, 2159/3.2=5...(15) QG1 VAL 115 - HA ILE 22 OK 31 99 - 31 - 2.1/7975=6, 2159/3.2=5...(12) QD1 LEU 59 - HA ILE 22 OK 22 100 - 22 - 2.1/6431=3, 2159/3.2=3...(9) QD1 LEU 93 - HA ILE 22 OK 16 98 - 16 - 2159/3.2=2, 853/3.0=2...(7) QD2 LEU 114 - HA ILE 22 lone 9 93 - 10 - 853/3.0=1, 2159/3.2=1 QD2 LEU 91 - HA ILE 22 lone 6 78 - 7 - HB2 ASN 118 - HA ILE 22 lone 4 90 - 4 - Peak 2146 from cnoeabs.peaks (0.80, 4.21, 64.47 ppm; 3.51 A): 2 out of 7 assignments used, quality = 0.92: * QD1 ILE 22 + HA ILE 22 OK 89 100 - 89 - 4.2=60, 2160/3.2=17...(16) QD1 LEU 111 + HA ILE 22 OK 33 100 - 33 - 2160/3.2=6, 2153/3.0=5...(9) QG2 VAL 66 - HA ILE 22 OK 16 63 - 26 - 2.1/3671=3, 3676=3...(14) QG1 VAL 115 - HA ILE 22 OK 15 60 - 25 - 2.1/7975=6, 2160/3.2=3...(12) QD2 LEU 91 - HA ILE 22 OK 12 92 - 13 - 2160/3.2=2, 854/3.0=2...(6) QD1 LEU 93 - HA ILE 22 poor 7 63 - 12 - 3.1/6431=2, 2153/3.0=1...(6) HB2 ASN 118 - HA ILE 22 lone 4 81 - 5 - Peak 2147 from cnoeabs.peaks (8.30, 1.91, 38.29 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.94: * H ILE 22 + HB ILE 22 OK 90 100 - 90 - 3.9=70, 2154/2.1=16...(17) H CYS 87 + HB ILE 22 OK 42 100 - 42 - 2154/2.1=9, 2175/3.2=6...(10) H TRP 20 - HB ILE 22 OK 17 73 - 24 - 3.6/5982=3, 2154/2.1=3...(9) H THR 62 - HB ILE 22 OK 11 68 - 16 - 2154/2.1=2, 7094/2.9=2...(7) H GLY 125 - HB ILE 22 lone 7 78 - 8 - 2154/2.1=2, 2140/3.0=1 Peak 2148 from cnoeabs.peaks (4.21, 1.91, 38.29 ppm; 4.00 A): 1 out of 10 assignments used, quality = 1.00: * HA ILE 22 + HB ILE 22 OK 100 100 - 100 - 3.0=100 HA VAL 26 - HB ILE 22 OK 43 100 - 43 - ~6422=6, 2155/2.1=6...(15) HA VAL 66 - HB ILE 22 OK 36 100 - 36 - 2155/2.1=5, 2176/3.2=4...(17) HA SER 13 - HB ILE 22 OK 28 100 - 28 - 2155/2.1=4, 2176/3.2=3...(14) HA THR 17 - HB ILE 22 OK 24 85 - 29 - 5966/3.9=4, 2155/2.1=3...(14) HA CYS 52 - HB ILE 22 OK 19 99 - 19 - 6947/2.1=3, 2162/2.9=2...(10) HA LEU 126 - HB ILE 22 OK 17 99 - 17 - 2155/2.1=2, 2176/3.2=2...(9) HA3 GLY 61 - HB ILE 22 lone 8 78 - 9 - 3.6/2147=2 HA ALA 89 - HB ILE 22 lone 6 65 - 9 - 2.1/7563=1, ~7565=1 HA PRO 68 - HB ILE 22 lone 5 60 - 9 - ~7228=1 Peak 2149 from cnoeabs.peaks (1.91, 1.91, 38.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 22 + HB ILE 22 OK 100 100 - 100 Peak 2150 from cnoeabs.peaks (0.92, 1.91, 38.29 ppm; 3.18 A): 3 out of 11 assignments used, quality = 1.00: * QG2 ILE 22 + HB ILE 22 OK 100 100 - 100 - 2.1=100 QD2 LEU 27 + HB ILE 22 OK 62 100 - 63 - 6525=6, 6537/3.9=6...(36) QD1 LEU 27 + HB ILE 22 OK 61 100 - 61 - 2.1/6525=5, 6538/3.9=4...(36) QG2 VAL 115 - HB ILE 22 OK 38 100 - 38 - 2.1/2152=4, 7975/3.0=4...(18) QD1 LEU 55 - HB ILE 22 OK 37 97 - 39 - 2.1/2152=5, ~2159=3...(18) QD1 LEU 41 - HB ILE 22 OK 21 99 - 21 - 2.1/2151=2, 2164/2.9=2...(7) QD1 ILE 63 - HB ILE 22 OK 16 89 - 18 - 7146/3.0=2, 2.1/2151=1...(5) QD1 LEU 126 - HB ILE 22 lone 9 90 - 10 - 5411/3.0=1 QD1 LEU 117 - HB ILE 22 lone 8 92 - 9 - QG2 VAL 49 - HB ILE 22 lone 7 100 - 7 - HB2 GLN 42 - HB ILE 22 lone 5 99 - 6 - Peak 2151 from cnoeabs.peaks (1.85, 1.91, 38.29 ppm; 3.61 A): 1 out of 13 assignments used, quality = 1.00: * HG12 ILE 22 + HB ILE 22 OK 100 100 - 100 - 2.9=100 HB3 GLU 28 - HB ILE 22 OK 44 81 - 55 - 4.2/107=6, ~6564=6...(24) HG3 GLU 73 - HB ILE 22 OK 29 99 - 30 - 2158/2.1=3, 3933=3...(14) HG2 GLU 73 - HB ILE 22 OK 29 98 - 30 - 2158/2.1=3, 3933=3...(14) HG LEU 41 - HB ILE 22 OK 25 92 - 27 - 2158/2.1=3, 2172/2.9=2...(9) HB2 LEU 58 - HB ILE 22 OK 17 76 - 22 - 2172/2.9=2, 2158/2.1=2...(7) HG13 ILE 63 - HB ILE 22 OK 12 65 - 19 - ~7146=2, 2158/2.1=2...(6) HG3 ARG 53 - HB ILE 22 poor 9 83 - 11 - 2144/3.0=1, 2158/2.1=1 HG3 PRO 68 - HB ILE 22 poor 9 81 - 11 - 2158/2.1=1 HB2 GLU 69 - HB ILE 22 lone 9 93 - 9 - 852/3.9=1, 2158/2.1=1 HB3 LYS 109 - HB ILE 22 lone 7 89 - 7 - HB3 GLN 105 - HB ILE 22 lone 2 60 - 3 - HB2 ARG 92 - HB ILE 22 lone 1 65 - 2 - Peak 2152 from cnoeabs.peaks (0.84, 1.91, 38.29 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HG13 ILE 22 + HB ILE 22 OK 100 100 - 100 - 2.9=100 QD2 LEU 55 + HB ILE 22 OK 49 97 - 50 - 2159/2.1=7, 2145/3.0=5...(24) QG1 VAL 115 - HB ILE 22 OK 44 99 - 45 - 2159/2.1=7, 7967=5...(19) QD1 LEU 59 - HB ILE 22 OK 31 100 - 31 - 2159/2.1=4, 2166/2.9=3...(13) QD1 LEU 93 - HB ILE 22 OK 22 98 - 23 - 2159/2.1=3, 2166/2.9=2...(8) QD2 LEU 114 - HB ILE 22 OK 11 93 - 11 - 2159/2.1=2, 2145/3.0=1...(4) QD2 LEU 91 - HB ILE 22 poor 9 78 - 11 - 2180/3.2=1, 2159/2.1=1 HB2 ASN 118 - HB ILE 22 lone 7 90 - 7 - Peak 2153 from cnoeabs.peaks (0.80, 1.91, 38.29 ppm; 3.38 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 22 + HB ILE 22 OK 100 100 - 100 - 3.2=100 QD1 LEU 111 - HB ILE 22 OK 37 100 - 37 - 2160/2.1=7, 2167/2.9=5...(15) QG1 VAL 115 - HB ILE 22 OK 21 60 - 35 - 2160/2.1=4, 2.1/2150=4...(17) QG2 VAL 66 - HB ILE 22 OK 16 63 - 25 - 2160/2.1=3, 3.2/2148=3...(14) QD2 LEU 91 - HB ILE 22 OK 14 92 - 15 - 2160/2.1=3, 2174/2.9=2...(6) QD1 LEU 93 - HB ILE 22 OK 10 63 - 16 - 2160/2.1=2, 2174/2.9=2...(5) HB2 ASN 118 - HB ILE 22 lone 6 81 - 7 - 2174/2.9=1, 2160/2.1=1 Peak 2154 from cnoeabs.peaks (8.30, 0.92, 16.87 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.97: * H ILE 22 + QG2 ILE 22 OK 94 100 - 94 - 4.0=76, 2147/2.1=19...(19) H CYS 87 + QG2 ILE 22 OK 52 100 - 52 - 2147/2.1=9, 2175/3.0=7...(13) H TRP 20 - QG2 ILE 22 OK 19 73 - 26 - 2147/2.1=4, 72/4.1=4...(9) H THR 62 - QG2 ILE 22 OK 15 68 - 21 - 2147/2.1=2, 7094/3.2=2...(9) H GLY 125 - QG2 ILE 22 poor 9 78 - 11 - 2147/2.1=1, 2140/3.2=1...(6) Peak 2155 from cnoeabs.peaks (4.21, 0.92, 16.87 ppm; 3.14 A): 1 out of 10 assignments used, quality = 0.98: * HA ILE 22 + QG2 ILE 22 OK 98 100 - 98 - 3.2=95, 2146/3.0=11...(21) HA VAL 26 - QG2 ILE 22 OK 30 100 - 30 - 2148/2.1=3, ~6422=3...(15) HA VAL 66 - QG2 ILE 22 OK 25 100 - 25 - 2148/2.1=3, 2176/3.0=3...(10) HA SER 13 - QG2 ILE 22 OK 22 100 - 22 - 3.0/6289=3, 3.0/6288=2...(10) HA THR 17 - QG2 ILE 22 OK 18 85 - 22 - 3.5/6426=2, 3.2/6436=2...(12) HA CYS 52 - QG2 ILE 22 OK 16 99 - 16 - 6947=2, 2148/2.1=1...(7) HA LEU 126 - QG2 ILE 22 OK 12 99 - 12 - 5387=1, 2148/2.1=1...(4) HA3 GLY 61 - QG2 ILE 22 lone 5 78 - 6 - 3.6/2154=1, 1.8/6435=1 HA PRO 68 - QG2 ILE 22 lone 5 60 - 8 - 3.6/7240=1 HA ALA 89 - QG2 ILE 22 lone 4 65 - 5 - Peak 2156 from cnoeabs.peaks (1.91, 0.92, 16.87 ppm; 2.97 A): 1 out of 17 assignments used, quality = 1.00: * HB ILE 22 + QG2 ILE 22 OK 100 100 - 100 - 2.1=100 HB2 GLU 28 - QG2 ILE 22 OK 44 100 - 44 - 4.2/6426=8, 6564=6...(17) HB2 LEU 21 - QG2 ILE 22 OK 30 89 - 34 - 4.6/2154=5, 3.1/6414=3...(15) HB2 LEU 84 - QG2 ILE 22 OK 28 99 - 28 - 1.8/6436=5, 4.3/5480=3...(12) HG LEU 55 - QG2 ILE 22 OK 24 71 - 33 - 2.1/2159=6, ~2152=2...(16) HG LEU 84 - QG2 ILE 22 OK 16 81 - 20 - 3.0/6436=4, 5766/4.1=2...(5) HB3 GLU 73 - QG2 ILE 22 OK 15 100 - 15 - 2.9/2158=2, 2.9/2158=2...(4) HG LEU 58 - QG2 ILE 22 OK 12 76 - 16 - ~8420=1, 2.1/6366=1...(6) HB ILE 80 - QG2 ILE 22 OK 11 95 - 11 - ~6432=2 HB2 LYS 119 - QG2 ILE 22 OK 10 73 - 14 - 2.9/6436=2, ~8033=1, 3.0/6435=1 HB2 ARG 81 - QG2 ILE 22 lone 7 100 - 7 - HB VAL 50 - QG2 ILE 22 lone 4 73 - 5 - HB3 MET 11 - QG2 ILE 22 lone 3 99 - 3 - HB3 LYS 31 - QG2 ILE 22 lone 3 73 - 4 - HB2 LYS 109 - QG2 ILE 22 lone 3 63 - 4 - HB3 GLU 64 - QG2 ILE 22 lone 2 68 - 3 - HB2 GLU 64 - QG2 ILE 22 lone 2 63 - 3 - Peak 2157 from cnoeabs.peaks (0.92, 0.92, 16.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 22 + QG2 ILE 22 OK 100 100 - 100 Peak 2158 from cnoeabs.peaks (1.85, 0.92, 16.87 ppm; 3.33 A): 1 out of 13 assignments used, quality = 1.00: * HG12 ILE 22 + QG2 ILE 22 OK 100 100 - 100 - 3.2=100 HB3 GLU 28 - QG2 ILE 22 OK 40 81 - 50 - 4.2/6426=11, 1.8/6564=7...(20) HG LEU 41 - QG2 ILE 22 OK 23 92 - 25 - 2804=3, 2151/2.1=2...(10) HG3 GLU 73 - QG2 ILE 22 OK 22 99 - 22 - 2151/2.1=3, 2179/3.0=2...(13) HG2 GLU 73 - QG2 ILE 22 OK 22 98 - 22 - 2151/2.1=3, 2179/3.0=2...(13) HB2 LEU 58 - QG2 ILE 22 OK 14 76 - 18 - 2151/2.1=2, 2172/3.2=2...(8) HG13 ILE 63 - QG2 ILE 22 OK 13 65 - 19 - 1.8/3525=2, 3532=2...(7) HG3 PRO 68 - QG2 ILE 22 poor 10 81 - 12 - 2.3/6434=1, 2.3/6434=1 HB2 GLU 69 - QG2 ILE 22 poor 10 93 - 10 - 3.6/7240=1, 852/4.0=1 HG3 ARG 53 - QG2 ILE 22 lone 8 83 - 10 - 2144/3.2=1 HB3 LYS 109 - QG2 ILE 22 lone 6 89 - 6 - HB3 GLN 105 - QG2 ILE 22 lone 2 60 - 4 - HB2 ARG 92 - QG2 ILE 22 lone 2 65 - 2 - Peak 2159 from cnoeabs.peaks (0.84, 0.92, 16.87 ppm; 2.76 A): 5 out of 8 assignments used, quality = 0.93: * HG13 ILE 22 + QG2 ILE 22 OK 78 100 - 78 - 3.2=64, 2.1/2178=9...(12) QD2 LEU 55 + QG2 ILE 22 OK 34 97 - 35 - 3259=5, 2152/2.1=4...(13) QG1 VAL 115 + QG2 ILE 22 OK 33 99 - 34 - 5112=7, 2.1/5107=4...(12) QD1 LEU 59 + QG2 ILE 22 OK 19 100 - 19 - 2152/2.1=2, 2166/3.2=2...(6) QD1 LEU 93 + QG2 ILE 22 OK 15 98 - 15 - 2152/2.1=2, 2180/3.0=1...(5) QD2 LEU 114 - QG2 ILE 22 lone 7 93 - 8 - QD2 LEU 91 - QG2 ILE 22 lone 5 78 - 7 - HB2 ASN 118 - QG2 ILE 22 lone 5 90 - 5 - Peak 2160 from cnoeabs.peaks (0.80, 0.92, 16.87 ppm; 2.69 A): 4 out of 7 assignments used, quality = 0.90: * QD1 ILE 22 + QG2 ILE 22 OK 81 100 - 81 - 3.0=69, 2177/2.1=7...(13) QD1 LEU 111 + QG2 ILE 22 OK 27 100 - 28 - 2153/2.1=4, 2167/3.2=3...(11) QG1 VAL 115 + QG2 ILE 22 OK 16 60 - 27 - 5112=4, 2.1/5107=4...(10) QG2 VAL 66 + QG2 ILE 22 OK 12 63 - 20 - 7192=2, 2.1/7178=2...(8) QD2 LEU 91 - QG2 ILE 22 poor 10 92 - 11 - 2153/2.1=1, 2174/3.2=1 QD1 LEU 93 - QG2 ILE 22 poor 7 63 - 11 - 2153/2.1=1 HB2 ASN 118 - QG2 ILE 22 lone 4 81 - 5 - Peak 2161 from cnoeabs.peaks (8.30, 1.85, 28.58 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.94: * H ILE 22 + HG12 ILE 22 OK 89 100 - 89 - 5.0=50, 854/2.1=22...(14) H CYS 87 + HG12 ILE 22 OK 44 100 - 44 - 2175/2.1=11, 2168/1.8=11...(8) H THR 62 - HG12 ILE 22 OK 16 68 - 23 - 7094/1.8=3, 3.9/7106=3...(9) H TRP 20 - HG12 ILE 22 OK 14 73 - 19 - 2175/2.1=4, 2147/2.9=4...(6) H GLY 125 - HG12 ILE 22 lone 7 78 - 9 - 2175/2.1=2, 2154/3.2=2...(5) Peak 2162 from cnoeabs.peaks (4.21, 1.85, 28.58 ppm; 4.18 A): 1 out of 10 assignments used, quality = 1.00: * HA ILE 22 + HG12 ILE 22 OK 100 100 - 100 - 3.9=100 HA VAL 66 - HG12 ILE 22 OK 35 100 - 35 - 2176/2.1=5, 2169/1.8=5...(15) HA VAL 26 - HG12 ILE 22 OK 31 100 - 31 - ~6425=5, 2148/2.9=5...(9) HA SER 13 - HG12 ILE 22 OK 25 100 - 25 - 2176/2.1=4, 2169/1.8=4...(10) HA THR 17 - HG12 ILE 22 OK 21 85 - 25 - 2176/2.1=3, 5966/5.0=3...(9) HA CYS 52 - HG12 ILE 22 OK 18 99 - 18 - 6947/3.2=3, 2169/1.8=3...(7) HA LEU 126 - HG12 ILE 22 OK 14 99 - 14 - 2176/2.1=2, 2169/1.8=2...(4) HA3 GLY 61 - HG12 ILE 22 lone 8 78 - 10 - 3.6/7097=3, 2169/1.8=1 HA PRO 68 - HG12 ILE 22 poor 7 60 - 12 - 3.6/1102=2, 2.3/3735=1 HA ALA 89 - HG12 ILE 22 lone 6 65 - 8 - ~7565=2, 2169/1.8=1 Peak 2163 from cnoeabs.peaks (1.91, 1.85, 28.58 ppm; 3.67 A): 2 out of 17 assignments used, quality = 1.00: * HB ILE 22 + HG12 ILE 22 OK 100 100 - 100 - 2.9=100 HB2 GLU 28 + HG12 ILE 22 OK 51 100 - 52 - ~6563=8, 6564/3.2=7...(20) HB2 LEU 21 - HG12 ILE 22 OK 31 89 - 35 - 4.6/2161=9, ~6411=3...(16) HB2 LEU 84 - HG12 ILE 22 OK 29 99 - 29 - ~6436=4, 2177/2.1=4...(10) HG LEU 55 - HG12 ILE 22 OK 29 71 - 41 - 2.1/2166=6, 2.1/2164=4...(18) HG LEU 58 - HG12 ILE 22 OK 21 76 - 28 - 2.1/8477=4, 2.1/8477=4...(11) HB3 GLU 73 - HG12 ILE 22 OK 21 100 - 21 - 2177/2.1=2, 2170/1.8=2...(9) HG LEU 84 - HG12 ILE 22 OK 18 81 - 22 - ~6444=4, ~6436=3...(8) HB2 LYS 119 - HG12 ILE 22 OK 13 73 - 18 - ~8033=2, 8030/1.8=2...(9) HB ILE 80 - HG12 ILE 22 OK 12 95 - 13 - ~6432=2, 2170/1.8=1...(5) HB2 ARG 81 - HG12 ILE 22 lone 7 100 - 7 - HB2 LYS 109 - HG12 ILE 22 lone 5 63 - 8 - HB3 MET 11 - HG12 ILE 22 lone 4 99 - 4 - HB VAL 50 - HG12 ILE 22 lone 3 73 - 5 - HB3 LYS 31 - HG12 ILE 22 lone 3 73 - 5 - HB3 GLU 64 - HG12 ILE 22 lone 2 68 - 3 - HB2 GLU 64 - HG12 ILE 22 lone 2 63 - 3 - Peak 2164 from cnoeabs.peaks (0.92, 1.85, 28.58 ppm; 3.44 A): 3 out of 11 assignments used, quality = 1.00: * QG2 ILE 22 + HG12 ILE 22 OK 100 100 - 100 - 3.2=100 QD2 LEU 27 + HG12 ILE 22 OK 67 100 - 67 - 6524=9, 3.1/8477=8...(29) QD1 LEU 27 + HG12 ILE 22 OK 66 100 - 66 - 3.1/8477=8, 2.1/6524=7...(30) QG2 VAL 115 - HG12 ILE 22 OK 42 100 - 42 - 5116/1.8=6, 2178/2.1=5...(19) QD1 LEU 55 - HG12 ILE 22 OK 38 97 - 39 - 2.1/2166=6, 2171/1.8=4...(19) QD1 LEU 41 - HG12 ILE 22 OK 27 99 - 27 - 2816=3, 2.1/2809=2...(13) QD1 ILE 63 - HG12 ILE 22 OK 16 89 - 18 - 7146/3.9=2, 2171/1.8=2...(4) QD1 LEU 117 - HG12 ILE 22 poor 10 92 - 10 - 2171/1.8=1, ~8554=1, 2178/2.1=1 QD1 LEU 126 - HG12 ILE 22 lone 7 90 - 8 - 5411/3.9=1 HB2 GLN 42 - HG12 ILE 22 lone 7 99 - 7 - QG2 VAL 49 - HG12 ILE 22 lone 7 100 - 7 - Peak 2165 from cnoeabs.peaks (1.85, 1.85, 28.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 22 + HG12 ILE 22 OK 100 100 - 100 Peak 2166 from cnoeabs.peaks (0.84, 1.85, 28.58 ppm; 3.28 A): 1 out of 8 assignments used, quality = 1.00: * HG13 ILE 22 + HG12 ILE 22 OK 100 100 - 100 - 1.8=100 QD2 LEU 55 - HG12 ILE 22 OK 38 97 - 39 - 2159/3.2=5, 2180/2.1=5...(18) QG1 VAL 115 - HG12 ILE 22 OK 34 99 - 34 - 2159/3.2=5, 2180/2.1=5...(14) QD1 LEU 59 - HG12 ILE 22 OK 24 100 - 24 - 2180/2.1=3, 2152/2.9=3...(12) QD1 LEU 93 - HG12 ILE 22 OK 18 98 - 18 - 2180/2.1=3, 2159/3.2=2...(7) QD2 LEU 114 - HG12 ILE 22 lone 8 93 - 9 - 2180/2.1=1, 2159/3.2=1 QD2 LEU 91 - HG12 ILE 22 lone 8 78 - 10 - 2180/2.1=2 HB2 ASN 118 - HG12 ILE 22 lone 5 90 - 6 - ~5186=1, 2180/2.1=1 Peak 2167 from cnoeabs.peaks (0.80, 1.85, 28.58 ppm; 3.27 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 22 + HG12 ILE 22 OK 100 100 - 100 - 2.1=100 QD1 LEU 111 - HG12 ILE 22 OK 33 100 - 33 - 2174/1.8=6, 2160/3.2=5...(10) QG1 VAL 115 - HG12 ILE 22 OK 18 60 - 30 - 2174/1.8=3, 2.1/2164=3...(13) QG2 VAL 66 - HG12 ILE 22 OK 14 63 - 23 - 2.1/7179=4, 2174/1.8=2...(12) QD2 LEU 91 - HG12 ILE 22 OK 13 92 - 14 - 2174/1.8=3, 2160/3.2=2...(4) QD1 LEU 93 - HG12 ILE 22 poor 9 63 - 15 - 2174/1.8=2, ~8476=1...(6) HB2 ASN 118 - HG12 ILE 22 lone 5 81 - 6 - 2174/1.8=1, ~5186=1 Peak 2168 from cnoeabs.peaks (8.30, 0.84, 28.58 ppm; 4.35 A): 2 out of 5 assignments used, quality = 0.98: * H ILE 22 + HG13 ILE 22 OK 95 100 - 95 - 5.0=64, 854/2.1=24...(15) H CYS 87 + HG13 ILE 22 OK 66 100 - 66 - 2175/2.1=12, 2161/1.8=11...(16) H THR 62 - HG13 ILE 22 OK 21 68 - 31 - 7094=4, 3.0/7101=4...(10) H TRP 20 - HG13 ILE 22 OK 17 73 - 24 - 2175/2.1=4, 2147/2.9=4...(7) H GLY 125 - HG13 ILE 22 poor 9 78 - 12 - 2161/1.8=2, 2154/3.2=2...(5) Peak 2169 from cnoeabs.peaks (4.21, 0.84, 28.58 ppm; 4.23 A): 1 out of 10 assignments used, quality = 1.00: * HA ILE 22 + HG13 ILE 22 OK 100 100 - 100 - 3.9=100 HA VAL 66 - HG13 ILE 22 OK 35 100 - 35 - 2176/2.1=5, 2162/1.8=5...(16) HA VAL 26 - HG13 ILE 22 OK 31 100 - 32 - ~6425=5, 2148/2.9=5...(8) HA SER 13 - HG13 ILE 22 OK 27 100 - 27 - 2176/2.1=4, 2162/1.8=4...(11) HA THR 17 - HG13 ILE 22 OK 22 85 - 26 - 2176/2.1=3, 5966/5.0=3...(9) HA CYS 52 - HG13 ILE 22 OK 18 99 - 18 - 6947/3.2=3, 2162/1.8=3...(6) HA LEU 126 - HG13 ILE 22 OK 16 99 - 16 - 2176/2.1=2, 2162/1.8=2...(4) HA3 GLY 61 - HG13 ILE 22 poor 8 78 - 11 - 3.6/7094=4, 2162/1.8=1 HA ALA 89 - HG13 ILE 22 poor 7 65 - 11 - 2.1/7565=2, 3.6/7568=2 HA PRO 68 - HG13 ILE 22 lone 6 60 - 9 - 2162/1.8=1, ~7228=1, ~3735=1 Peak 2170 from cnoeabs.peaks (1.91, 0.84, 28.58 ppm; 4.01 A): 2 out of 17 assignments used, quality = 1.00: * HB ILE 22 + HG13 ILE 22 OK 100 100 - 100 - 2.9=100 HB2 GLU 28 + HG13 ILE 22 OK 54 100 - 55 - ~6563=9, 6564/3.2=8...(17) HB2 LEU 21 - HG13 ILE 22 OK 36 89 - 41 - 4.6/853=9, 3.1/6411=6...(16) HB2 LEU 84 - HG13 ILE 22 OK 35 99 - 36 - ~6436=5, ~6440=4...(15) HG LEU 55 - HG13 ILE 22 OK 35 71 - 50 - ~2166=5, 2.1/2171=4...(24) HB3 GLU 73 - HG13 ILE 22 OK 25 100 - 25 - 2.9/2172=3, 2.9/2172=3...(13) HG LEU 84 - HG13 ILE 22 OK 22 81 - 27 - ~6444=5, ~6436=3...(11) HG LEU 58 - HG13 ILE 22 OK 22 76 - 29 - ~8420=4, ~8477=4...(11) HB2 LYS 119 - HG13 ILE 22 OK 21 73 - 29 - ~8033=3, 8030=3...(13) HB ILE 80 - HG13 ILE 22 OK 16 95 - 17 - ~6432=3, 2163/1.8=1...(6) HB2 ARG 81 - HG13 ILE 22 lone 9 100 - 8 - HB3 LYS 31 - HG13 ILE 22 lone 5 73 - 7 - HB2 LYS 109 - HG13 ILE 22 lone 5 63 - 8 - 1.8/2172=1 HB3 MET 11 - HG13 ILE 22 lone 5 99 - 5 - HB VAL 50 - HG13 ILE 22 lone 5 73 - 6 - HB3 GLU 64 - HG13 ILE 22 lone 3 68 - 4 - HB2 GLU 64 - HG13 ILE 22 lone 3 63 - 4 - Peak 2171 from cnoeabs.peaks (0.92, 0.84, 28.58 ppm; 3.39 A): 4 out of 11 assignments used, quality = 1.00: * QG2 ILE 22 + HG13 ILE 22 OK 100 100 - 100 - 3.2=100 QD2 LEU 27 + HG13 ILE 22 OK 63 100 - 63 - 2.1/8619=9, 6524/1.8=8...(27) QD1 LEU 27 + HG13 ILE 22 OK 63 100 - 63 - 2.1/8619=9, 2178/2.1=6...(28) QG2 VAL 115 + HG13 ILE 22 OK 49 100 - 50 - 5116=6, 2.1/5106=5...(23) QD1 LEU 55 - HG13 ILE 22 OK 41 97 - 42 - 3253=4, 2178/2.1=4...(21) QD1 LEU 41 - HG13 ILE 22 OK 23 99 - 23 - 2.1/2172=3, 2164/1.8=2...(11) QD1 ILE 63 - HG13 ILE 22 OK 17 89 - 19 - 7146/3.9=2, 2164/1.8=1...(5) QD1 LEU 117 - HG13 ILE 22 OK 13 92 - 14 - 2.1/8554=2, 2178/2.1=1 QD1 LEU 126 - HG13 ILE 22 lone 8 90 - 9 - 5411/3.9=1 QG2 VAL 49 - HG13 ILE 22 lone 7 100 - 7 - HB2 GLN 42 - HG13 ILE 22 lone 6 99 - 6 - Peak 2172 from cnoeabs.peaks (1.85, 0.84, 28.58 ppm; 3.60 A): 1 out of 13 assignments used, quality = 1.00: * HG12 ILE 22 + HG13 ILE 22 OK 100 100 - 100 - 1.8=100 HB3 GLU 28 - HG13 ILE 22 OK 37 81 - 47 - ~6563=7, 2179/2.1=6...(17) HG LEU 41 - HG13 ILE 22 OK 24 92 - 26 - 2179/2.1=3, 2158/3.2=2...(11) HG3 GLU 73 - HG13 ILE 22 OK 23 99 - 24 - 2179/2.1=3, 2151/2.9=3...(11) HG2 GLU 73 - HG13 ILE 22 OK 23 98 - 24 - 2179/2.1=3, 2151/2.9=3...(11) HB2 LEU 58 - HG13 ILE 22 OK 19 76 - 26 - 2179/2.1=2, ~8477=2...(9) HG13 ILE 63 - HG13 ILE 22 OK 11 65 - 16 - 2.1/2171=2, 2158/3.2=1...(6) HG3 PRO 68 - HG13 ILE 22 poor 8 81 - 10 - 2158/3.2=1, 2179/2.1=1 HB2 GLU 69 - HG13 ILE 22 lone 8 93 - 8 - 2179/2.1=1 HG3 ARG 53 - HG13 ILE 22 lone 7 83 - 8 - 2144/3.9=1 HB3 LYS 109 - HG13 ILE 22 lone 6 89 - 7 - HB2 ARG 92 - HG13 ILE 22 lone 3 65 - 4 - 4.2/1236=1 HB3 GLN 105 - HG13 ILE 22 lone 1 60 - 2 - Peak 2173 from cnoeabs.peaks (0.84, 0.84, 28.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 22 + HG13 ILE 22 OK 100 100 - 100 Peak 2174 from cnoeabs.peaks (0.80, 0.84, 28.58 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 22 + HG13 ILE 22 OK 100 100 - 100 - 2.1=100 QD1 LEU 111 - HG13 ILE 22 OK 37 100 - 37 - 2167/1.8=6, 2160/3.2=5...(15) QG1 VAL 115 - HG13 ILE 22 OK 22 60 - 36 - 2.1/5116=5, 2.1/5106=5...(17) QD2 LEU 91 - HG13 ILE 22 OK 19 92 - 20 - 2167/1.8=2, 2160/3.2=2...(5) QG2 VAL 66 - HG13 ILE 22 OK 15 63 - 24 - 2167/1.8=3, ~7179=3...(12) QD1 LEU 93 - HG13 ILE 22 OK 13 63 - 21 - 3.1/8476=2, 2167/1.8=2...(9) HB2 ASN 118 - HG13 ILE 22 poor 9 81 - 11 - 1.8/5186=2, 3.0/5174=1 Peak 2175 from cnoeabs.peaks (8.30, 0.80, 14.61 ppm; 3.68 A): 4 out of 5 assignments used, quality = 0.93: * H ILE 22 + QD1 ILE 22 OK 83 100 - 83 - 4.9=42, 852/2.1=16...(13) H CYS 87 + QD1 ILE 22 OK 44 100 - 44 - 2168/2.1=8, 2161/2.1=8...(10) H TRP 20 + QD1 ILE 22 OK 16 73 - 22 - 2147/3.2=3, 2154/3.0=3...(8) H THR 62 + QD1 ILE 22 OK 11 68 - 16 - 2161/2.1=3, 2168/2.1=3...(7) H GLY 125 - QD1 ILE 22 lone 6 78 - 8 - 2154/3.0=1, 2161/2.1=1...(4) Peak 2176 from cnoeabs.peaks (4.21, 0.80, 14.61 ppm; 3.66 A): 2 out of 10 assignments used, quality = 0.95: * HA ILE 22 + QD1 ILE 22 OK 93 100 - 93 - 4.2=68, 3.2/2160=18...(17) HA VAL 66 + QD1 ILE 22 OK 29 100 - 29 - 2162/2.1=4, 2169/2.1=4...(14) HA VAL 26 - QD1 ILE 22 OK 25 100 - 26 - 3.0/6425=6, 2155/3.0=4...(8) HA SER 13 - QD1 ILE 22 OK 22 100 - 22 - 3.0/6291=3, 3.0/6292=3...(9) HA THR 17 - QD1 ILE 22 OK 18 85 - 21 - 3.0/6334=3, 2155/3.0=2...(7) HA CYS 52 - QD1 ILE 22 OK 13 99 - 13 - 6947/3.0=2, 2162/2.1=2...(4) HA LEU 126 - QD1 ILE 22 OK 12 99 - 12 - 2155/3.0=2, 2169/2.1=2...(4) HA3 GLY 61 - QD1 ILE 22 lone 6 78 - 7 - 3.6/2175=2 HA ALA 89 - QD1 ILE 22 lone 5 65 - 7 - ~7565=1 HA PRO 68 - QD1 ILE 22 lone 4 60 - 7 - Peak 2177 from cnoeabs.peaks (1.91, 0.80, 14.61 ppm; 3.16 A): 1 out of 17 assignments used, quality = 0.97: * HB ILE 22 + QD1 ILE 22 OK 97 100 - 97 - 3.2=94, 2.1/2160=19...(13) HB2 GLU 28 - QD1 ILE 22 OK 45 100 - 45 - 4.2/6424=11, 3.0/6563=8...(15) HB2 LEU 84 - QD1 ILE 22 OK 27 99 - 27 - 3.1/6444=4, 3.0/6440=4...(9) HB2 LEU 21 - QD1 ILE 22 OK 24 89 - 27 - 4.6/854=7, 2156/3.0=3...(9) HG LEU 55 - QD1 ILE 22 OK 22 71 - 31 - 2.1/2180=4, 2.1/2178=3...(16) HG LEU 84 - QD1 ILE 22 OK 16 81 - 20 - 2.1/6444=4, 4.3/6440=3...(6) HB3 GLU 73 - QD1 ILE 22 OK 16 100 - 16 - 2.9/2179=2, 2.9/2179=2...(5) HG LEU 58 - QD1 ILE 22 OK 15 76 - 20 - 2.1/8420=4, ~8477=2...(6) HB2 LYS 119 - QD1 ILE 22 OK 13 73 - 17 - 1.8/8033=2, 3.0/6438=2 HB ILE 80 - QD1 ILE 22 lone 9 95 - 10 - ~6432=2 HB2 ARG 81 - QD1 ILE 22 lone 5 100 - 5 - HB3 LYS 31 - QD1 ILE 22 lone 3 73 - 5 - HB2 LYS 109 - QD1 ILE 22 lone 3 63 - 5 - HB3 MET 11 - QD1 ILE 22 lone 3 99 - 3 - HB VAL 50 - QD1 ILE 22 lone 3 73 - 3 - HB3 GLU 64 - QD1 ILE 22 lone 2 68 - 3 - HB2 GLU 64 - QD1 ILE 22 lone 2 63 - 3 - Peak 2178 from cnoeabs.peaks (0.92, 0.80, 14.61 ppm; 2.68 A): 3 out of 11 assignments used, quality = 0.94: * QG2 ILE 22 + QD1 ILE 22 OK 83 100 - 83 - 3.0=68, 2159/2.1=11...(15) QD2 LEU 27 + QD1 ILE 22 OK 42 100 - 42 - 6524/2.1=4, 2171/2.1=3...(20) QD1 LEU 27 + QD1 ILE 22 OK 42 100 - 42 - 2164/2.1=3, 2171/2.1=3...(21) QG2 VAL 115 - QD1 ILE 22 OK 33 100 - 33 - 5116/2.1=4, 2.1/2180=4...(16) QD1 LEU 55 - QD1 ILE 22 OK 24 97 - 25 - 2.1/2180=4, 3253/2.1=2...(10) QD1 LEU 41 - QD1 ILE 22 OK 14 99 - 15 - 2.1/2179=2, 2816/2.1=1 QD1 ILE 63 - QD1 ILE 22 poor 9 89 - 10 - 7146/4.2=1 QD1 LEU 117 - QD1 ILE 22 lone 7 92 - 8 - HB2 GLN 42 - QD1 ILE 22 lone 5 99 - 5 - QD1 LEU 126 - QD1 ILE 22 lone 5 90 - 6 - QG2 VAL 49 - QD1 ILE 22 lone 4 100 - 4 - Peak 2179 from cnoeabs.peaks (1.85, 0.80, 14.61 ppm; 3.09 A): 1 out of 13 assignments used, quality = 1.00: * HG12 ILE 22 + QD1 ILE 22 OK 100 100 - 100 - 2.1=100 HB3 GLU 28 - QD1 ILE 22 OK 35 81 - 44 - 4.2/6424=10, 3.0/6563=8...(16) HG LEU 41 - QD1 ILE 22 OK 17 92 - 18 - 2172/2.1=2, 2.1/2178=2...(6) HG3 GLU 73 - QD1 ILE 22 OK 17 99 - 17 - 2172/2.1=2, 2151/3.2=2...(7) HG2 GLU 73 - QD1 ILE 22 OK 17 98 - 17 - 2172/2.1=2, 2151/3.2=2...(7) HB2 LEU 58 - QD1 ILE 22 OK 13 76 - 18 - 3.1/8420=3, 2172/2.1=2...(6) HG13 ILE 63 - QD1 ILE 22 poor 8 65 - 11 - 2.1/2178=1, 2158/3.0=1 HB2 GLU 69 - QD1 ILE 22 lone 7 93 - 7 - 4.8/6440=2 HG3 PRO 68 - QD1 ILE 22 lone 6 81 - 7 - HG3 ARG 53 - QD1 ILE 22 lone 5 83 - 5 - HB3 LYS 109 - QD1 ILE 22 lone 5 89 - 5 - HB2 ARG 92 - QD1 ILE 22 lone 2 65 - 3 - HB3 GLN 105 - QD1 ILE 22 lone 1 60 - 2 - Peak 2180 from cnoeabs.peaks (0.84, 0.80, 14.61 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG13 ILE 22 + QD1 ILE 22 OK 100 100 - 100 - 2.1=100 QG1 VAL 115 - QD1 ILE 22 OK 20 99 - 20 - 2.1/2178=3, 2159/3.0=3...(7) QD2 LEU 55 - QD1 ILE 22 OK 20 97 - 20 - 2159/3.0=3, 2166/2.1=3...(7) QD1 LEU 59 - QD1 ILE 22 OK 12 100 - 12 - 2166/2.1=2, 2159/3.0=1 QD1 LEU 93 - QD1 ILE 22 OK 11 98 - 11 - 2166/2.1=1, 2159/3.0=1 QD2 LEU 91 - QD1 ILE 22 lone 6 78 - 8 - QD2 LEU 114 - QD1 ILE 22 lone 5 93 - 5 - HB2 ASN 118 - QD1 ILE 22 lone 4 90 - 5 - Peak 2181 from cnoeabs.peaks (0.80, 0.80, 14.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 22 + QD1 ILE 22 OK 100 100 - 100 Peak 2182 from cnoeabs.peaks (8.74, 3.94, 66.69 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * H THR 23 + HA THR 23 OK 100 100 - 100 - 3.0=100 H ARG 85 + HA THR 23 OK 51 100 - 51 - 1191=12, 2190/3.2=9...(18) H GLU 15 - HA THR 23 lone 4 71 - 6 - ~1571=1 Peak 2183 from cnoeabs.peaks (3.94, 3.94, 66.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 23 + HA THR 23 OK 100 100 - 100 Peak 2184 from cnoeabs.peaks (4.51, 3.94, 66.69 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 23 + HA THR 23 OK 100 100 - 100 - 3.0=100 HA LEU 27 - HA THR 23 OK 12 81 - 15 - 857/3.0=4, 4.0/6453=2...(6) HA LEU 91 - HA THR 23 lone 6 98 - 6 - 81/3.6=2, 857/3.0=2, 2192/3.2=1 HA PRO 30 - HA THR 23 lone 5 95 - 5 - 81/3.6=1, 2192/3.2=1, 857/3.0=1 HA LEU 101 - HA THR 23 lone 2 76 - 2 - Peak 2185 from cnoeabs.peaks (1.32, 3.94, 66.69 ppm; 2.96 A): 4 out of 9 assignments used, quality = 0.93: * QG2 THR 23 + HA THR 23 OK 87 100 - 87 - 3.2=79, 2190/3.0=12...(8) HB3 LEU 84 + HA THR 23 OK 29 99 - 30 - 858/3.0=4, 4.3/2182=4...(13) HG3 LYS 46 + HA THR 23 OK 13 96 - 14 - 82/3.6=2, 2189/3.0=1...(6) HG2 LYS 46 + HA THR 23 OK 13 96 - 14 - 82/3.6=2, 2189/3.0=1...(6) QB ALA 43 - HA THR 23 lone 7 89 - 7 - 2863=2 QG2 THR 17 - HA THR 23 lone 6 96 - 6 - 858/3.0=2, 82/3.6=1 HG3 LYS 119 - HA THR 23 lone 5 100 - 5 - 858/3.0=1 HG CYS 87 - HA THR 23 lone 5 100 - 5 - 5.6/1700=1 HB3 LEU 59 - HA THR 23 lone 1 60 - 2 - Peak 2186 from cnoeabs.peaks (8.74, 4.51, 68.54 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.91: * H THR 23 + HB THR 23 OK 86 100 - 86 - 4.0=73, 2190/2.1=23...(6) H ARG 85 + HB THR 23 OK 33 100 - 33 - 2190/2.1=11, 2182/3.0=9...(6) H GLU 15 - HB THR 23 lone 2 71 - 3 - 2190/2.1=1 Peak 2187 from cnoeabs.peaks (3.94, 4.51, 68.54 ppm; 3.95 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 23 + HB THR 23 OK 100 100 - 100 - 3.0=100 HA2 GLY 25 - HB THR 23 OK 43 100 - 44 - ~6448=8, 2191/2.1=8...(9) HA ARG 85 - HB THR 23 OK 39 100 - 39 - 3.0/2186=9, 4274/4.0=8...(11) HA ALA 43 - HB THR 23 lone 7 93 - 7 - 2191/2.1=1, 2.1/2189=1 HA SER 74 - HB THR 23 lone 4 93 - 5 - 6091/4.4=2 HD3 PRO 68 - HB THR 23 lone 3 83 - 4 - HD2 PRO 68 - HB THR 23 lone 3 78 - 4 - HA2 GLY 125 - HB THR 23 lone 3 87 - 3 - HA3 GLY 125 - HB THR 23 lone 3 87 - 3 - HB THR 62 - HB THR 23 lone 3 83 - 3 - Peak 2188 from cnoeabs.peaks (4.51, 4.51, 68.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 23 + HB THR 23 OK 100 100 - 100 Peak 2189 from cnoeabs.peaks (1.32, 4.51, 68.54 ppm; 3.00 A): 1 out of 9 assignments used, quality = 1.00: * QG2 THR 23 + HB THR 23 OK 100 100 - 100 - 2.1=100 HB3 LEU 84 - HB THR 23 OK 20 99 - 20 - 2185/3.0=4, 5765/4.0=3...(9) HG3 LYS 46 - HB THR 23 poor 10 96 - 10 - 2185/3.0=2, 82/4.4=1 HG2 LYS 46 - HB THR 23 poor 10 96 - 10 - 2185/3.0=2, 82/4.4=1 HG3 LYS 119 - HB THR 23 lone 4 100 - 4 - QG2 THR 17 - HB THR 23 lone 4 96 - 4 - 858/4.0=1 QB ALA 43 - HB THR 23 lone 4 89 - 4 - HG CYS 87 - HB THR 23 lone 3 100 - 3 - HB3 LEU 59 - HB THR 23 lone 1 60 - 1 - Peak 2190 from cnoeabs.peaks (8.74, 1.32, 21.20 ppm; 3.52 A): 2 out of 3 assignments used, quality = 0.92: * H THR 23 + QG2 THR 23 OK 86 100 - 86 - 4.0=67, 857/2.1=27...(9) H ARG 85 + QG2 THR 23 OK 43 100 - 43 - 2186/2.1=9, 414=8...(12) H GLU 15 - QG2 THR 23 lone 4 71 - 6 - Peak 2191 from cnoeabs.peaks (3.94, 1.32, 21.20 ppm; 3.01 A): 3 out of 10 assignments used, quality = 0.94: * HA THR 23 + QG2 THR 23 OK 89 100 - 89 - 3.2=83, 3.0/2190=13...(8) HA2 GLY 25 + QG2 THR 23 OK 28 100 - 29 - 3.0/6448=6, 1.8/6459=5...(9) HA ARG 85 + QG2 THR 23 OK 25 100 - 25 - 3.0/2190=6, 4274/4.0=4...(10) HA ALA 43 - QG2 THR 23 lone 5 93 - 5 - HA SER 74 - QG2 THR 23 lone 3 93 - 3 - 6091/4.3=1 HB THR 62 - QG2 THR 23 lone 2 83 - 3 - HA2 GLY 125 - QG2 THR 23 lone 2 87 - 2 - HA3 GLY 125 - QG2 THR 23 lone 2 87 - 2 - HD3 PRO 68 - QG2 THR 23 lone 2 83 - 2 - HD2 PRO 68 - QG2 THR 23 lone 2 78 - 2 - Peak 2192 from cnoeabs.peaks (4.51, 1.32, 21.20 ppm; 2.87 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 23 + QG2 THR 23 OK 100 100 - 100 - 2.1=100 HA LEU 27 - QG2 THR 23 lone 5 81 - 7 - 857/4.0=2, 2184/3.2=2 HA PRO 30 - QG2 THR 23 lone 4 95 - 4 - 4631/6449=1 HA LEU 91 - QG2 THR 23 lone 4 98 - 4 - HA LEU 101 - QG2 THR 23 lone 1 76 - 2 - Peak 2193 from cnoeabs.peaks (1.32, 1.32, 21.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 23 + QG2 THR 23 OK 100 100 - 100 Peak 2194 from cnoeabs.peaks (8.09, 4.10, 55.54 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 24 + HA LEU 24 OK 100 100 - 100 - 3.0=100 H SER 78 - HA LEU 24 OK 26 92 - 28 - 370/3.0=5, 83/3.6=4...(9) H THR 33 - HA LEU 24 OK 16 95 - 17 - 2208/3.0=3, 2201/3.0=2...(8) H GLY 39 - HA LEU 24 OK 15 99 - 15 - 2208/3.0=2, 2215/4.3=2...(6) H GLN 105 - HA LEU 24 OK 10 100 - 10 - 2208/3.0=2, 2201/3.0=2...(6) HD22 ASN 79 - HA LEU 24 poor 9 85 - 11 - 83/3.6=1, 2208/3.0=1...(6) Peak 2195 from cnoeabs.peaks (4.10, 4.10, 55.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 24 + HA LEU 24 OK 100 100 - 100 Peak 2196 from cnoeabs.peaks (1.51, 4.10, 55.54 ppm; 3.63 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 24 + HA LEU 24 OK 100 100 - 100 - 3.0=100 HB3 LEU 58 - HA LEU 24 OK 36 85 - 42 - 8435/4.0=9, 2210/3.0=6...(14) HD3 LYS 46 - HA LEU 24 OK 24 78 - 31 - 1.8/2198=4, 2.9/8478=4...(14) HG2 ARG 85 - HA LEU 24 OK 15 99 - 15 - 861/3.0=3, 85/3.6=2...(6) HG LEU 91 - HA LEU 24 OK 12 89 - 14 - ~8368=2, 2210/3.0=2...(7) HG LEU 93 - HA LEU 24 lone 9 93 - 10 - 2210/3.0=1, 861/3.0=1 HG3 ARG 92 - HA LEU 24 lone 9 100 - 9 - 2210/3.0=1 HG2 ARG 92 - HA LEU 24 lone 9 100 - 9 - 2210/3.0=1 HB3 LEU 114 - HA LEU 24 lone 8 99 - 8 - HG2 LYS 109 - HA LEU 24 lone 2 68 - 3 - Peak 2197 from cnoeabs.peaks (1.22, 4.10, 55.54 ppm; 3.47 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 24 + HA LEU 24 OK 100 100 - 100 - 3.0=100 HG LEU 77 - HA LEU 24 OK 39 92 - 42 - 2.1/2199=5, 862/3.0=5...(21) QG2 VAL 18 - HA LEU 24 OK 25 95 - 26 - 6369/4.0=5, 8398/4.3=4...(9) HB2 LEU 77 - HA LEU 24 OK 24 63 - 38 - 3.1/2199=4, 862/3.0=3...(24) HG2 LYS 32 - HA LEU 24 OK 16 100 - 15 - 862/3.0=2, 2204/3.0=1...(7) HB3 LEU 111 - HA LEU 24 OK 12 100 - 12 - 2204/3.0=1, 2225/4.0=1...(5) HG13 ILE 124 - HA LEU 24 lone 5 81 - 6 - Peak 2198 from cnoeabs.peaks (1.45, 4.10, 55.54 ppm; 3.50 A): 3 out of 15 assignments used, quality = 0.94: * HG LEU 24 + HA LEU 24 OK 88 100 - 88 - 4.3=55, 2.1/2200=28...(12) HG3 ARG 57 + HA LEU 24 OK 38 89 - 43 - 7039/4.0=5, 2.9/3332=5...(16) HD2 LYS 46 + HA LEU 24 OK 28 99 - 29 - 1.8/2196=4, 2.9/8478=4...(12) HB3 LEU 45 - HA LEU 24 OK 24 100 - 24 - 2897/4.0=3, 3.1/2199=3...(11) HG3 LYS 31 - HA LEU 24 OK 17 95 - 18 - 1.8/2426=3, 2436=2...(7) HG2 LYS 119 - HA LEU 24 OK 12 97 - 13 - 1.8/8478=2, 2436=1...(4) HB3 LEU 91 - HA LEU 24 poor 9 81 - 12 - 3.0/2196=1, ~8368=1...(4) QB ALA 14 - HA LEU 24 lone 9 92 - 10 - 6303/3.0=2, 863/3.0=1, ~6296=1 HB2 LEU 93 - HA LEU 24 lone 8 92 - 9 - 3.0/2196=1, 2212/3.0=1 HB3 GLU 75 - HA LEU 24 lone 8 100 - 8 - 863/3.0=1 HB3 LEU 101 - HA LEU 24 lone 6 97 - 6 - HD3 LYS 65 - HA LEU 24 lone 6 99 - 6 - HD2 LYS 65 - HA LEU 24 lone 6 99 - 6 - QB ALA 89 - HA LEU 24 lone 3 97 - 3 - QB ALA 98 - HA LEU 24 lone 2 65 - 3 - Peak 2199 from cnoeabs.peaks (0.66, 4.10, 55.54 ppm; 2.91 A): 4 out of 4 assignments used, quality = 0.85: * QD2 LEU 24 + HA LEU 24 OK 71 100 - 71 - 4.0=39, 2.1/2200=19...(12) QD1 LEU 21 + HA LEU 24 OK 30 98 - 30 - 2213/3.0=5, 2234/4.0=5...(8) QD1 LEU 77 + HA LEU 24 OK 18 68 - 26 - 2.1/2197=4, 2213/3.0=2...(14) QD1 LEU 45 + HA LEU 24 OK 12 87 - 14 - 2213/3.0=2, 864/3.0=2...(7) Peak 2200 from cnoeabs.peaks (0.06, 4.10, 55.54 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.99: * QD1 LEU 24 + HA LEU 24 OK 99 100 - 99 - 4.0=97, 865/3.0=30...(17) Peak 2201 from cnoeabs.peaks (8.09, 1.51, 43.84 ppm; 3.92 A): 1 out of 12 assignments used, quality = 1.00: * H LEU 24 + HB2 LEU 24 OK 100 100 - 100 - 3.9=100 H SER 78 - HB2 LEU 24 OK 28 92 - 31 - 370/1.8=7, 2222/3.1=5...(8) H THR 33 - HB2 LEU 24 OK 19 95 - 20 - 2208/1.8=5, 2215/3.0=3...(6) H LEU 24 - HB3 LEU 58 OK 18 55 - 33 - 861=6, 3.9/2210=6...(9) H GLY 39 - HB2 LEU 24 OK 18 99 - 18 - 2215/3.0=4, 2208/1.8=3...(6) H GLN 105 - HB2 LEU 24 OK 13 100 - 13 - 2208/1.8=2, 2222/3.1=2...(6) HD22 ASN 79 - HB2 LEU 24 OK 11 85 - 12 - 2208/1.8=2, 2194/3.0=2...(7) H GLY 39 - HB3 LEU 58 lone 2 52 - 4 - H SER 78 - HB3 LEU 58 lone 2 46 - 4 - H THR 33 - HB3 LEU 58 lone 1 48 - 3 - HD22 ASN 79 - HB3 LEU 58 lone 1 41 - 3 - H GLN 105 - HB3 LEU 58 lone 1 55 - 2 - Peak 2202 from cnoeabs.peaks (4.10, 1.51, 43.84 ppm; 4.13 A): 3 out of 14 assignments used, quality = 1.00: * HA LEU 24 + HB2 LEU 24 OK 100 100 - 100 - 3.0=100 HA3 GLY 25 + HB2 LEU 24 OK 64 90 - 71 - 3.6/6496=16, 3.0/85=16...(14) HA ARG 57 + HB2 LEU 24 OK 46 90 - 51 - 2223/3.1=8, 2209/1.8=7...(21) HA LEU 24 - HB3 LEU 58 OK 28 55 - 51 - 4.0/2207=8, 3.0/2210=8...(19) HA VAL 120 - HB3 LEU 58 OK 19 47 - 42 - ~5646=5, 5283/3.1=4...(19) HA LYS 31 - HB2 LEU 24 OK 15 93 - 16 - 2209/1.8=3, 2216/3.0=2...(7) HA ARG 57 - HB3 LEU 58 OK 13 44 - 30 - 3.6/1048=8, 7038/3.1=4...(8) HA VAL 120 - HB2 LEU 24 OK 11 93 - 11 - 2209/1.8=2, 2230/3.1=1...(4) HA LYS 31 - HB3 LEU 58 poor 9 47 - 19 - 2398/1.8=4, 7071/4.6=2...(9) HB3 SER 78 - HB2 LEU 24 poor 9 60 - 14 - 3.9/2201=3, 4.5/5488=2...(5) HA3 GLY 25 - HB3 LEU 58 poor 5 44 - 11 - 3.0/85=3, 3.6/6496=3, 264/3.9=1 HA SER 44 - HB2 LEU 24 lone 2 60 - 4 - HB3 SER 78 - HB3 LEU 58 lone 1 26 - 3 - HA SER 44 - HB3 LEU 58 lone 1 26 - 3 - Peak 2203 from cnoeabs.peaks (1.51, 1.51, 43.84 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 24 + HB2 LEU 24 OK 100 100 - 100 HB3 LEU 58 - HB3 LEU 58 OK 41 41 - 100 Peak 2204 from cnoeabs.peaks (1.22, 1.51, 43.84 ppm; 3.36 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 24 + HB2 LEU 24 OK 100 100 - 100 - 1.8=100 HG LEU 77 - HB2 LEU 24 OK 40 92 - 44 - 2197/3.0=4, 4013/1.8=4...(21) QG2 VAL 18 - HB2 LEU 24 OK 36 95 - 38 - 6369/3.1=6, 8398/3.0=5...(15) HB3 LEU 24 - HB3 LEU 58 OK 35 55 - 63 - 2210=11, ~7066=7...(28) HB2 LEU 77 - HB2 LEU 24 OK 25 63 - 40 - 2197/3.0=3, 4001/1.8=3...(27) HB3 LEU 111 - HB2 LEU 24 OK 15 100 - 15 - 2225/3.1=2, 3.0/6222=2...(7) HG2 LYS 32 - HB2 LEU 24 OK 15 100 - 15 - 2197/3.0=2, 2218/3.0=1...(9) QG2 VAL 18 - HB3 LEU 58 OK 11 48 - 22 - 2000/3.1=3, 2000/3.1=3...(10) HB3 LEU 111 - HB3 LEU 58 poor 8 54 - 14 - 3.0/6222=2, ~8304=2...(7) HG13 ILE 124 - HB2 LEU 24 lone 7 81 - 8 - HG LEU 77 - HB3 LEU 58 lone 2 46 - 4 - HG2 LYS 32 - HB3 LEU 58 lone 1 55 - 3 - HB2 LEU 77 - HB3 LEU 58 lone 1 28 - 4 - HG13 ILE 124 - HB3 LEU 58 lone 1 38 - 1 - Peak 2205 from cnoeabs.peaks (1.45, 1.51, 43.84 ppm; 3.24 A): 1 out of 30 assignments used, quality = 1.00: * HG LEU 24 + HB2 LEU 24 OK 100 100 - 100 - 3.0=100 HG3 ARG 57 - HB2 LEU 24 OK 42 89 - 47 - ~7041=9, 7039/3.1=5...(22) HG LEU 24 - HB3 LEU 58 OK 35 55 - 63 - 2217=11, ~7066=9...(23) HD2 LYS 46 - HB2 LEU 24 OK 29 99 - 29 - 2212/1.8=3, 2976=3...(14) HB3 LEU 45 - HB2 LEU 24 OK 28 100 - 28 - 2897/3.1=4, 2212/1.8=3...(11) HB2 LEU 93 - HB3 LEU 58 OK 13 46 - 28 - 1.8/4488=3, ~8304=3...(13) HB3 LEU 91 - HB2 LEU 24 OK 13 81 - 16 - ~8368=2, 4390=1...(4) HG2 LYS 119 - HB3 LEU 58 OK 10 51 - 21 - 5222/1.8=2, 5223/3.0=2...(8) HG2 LYS 119 - HB2 LEU 24 OK 10 97 - 10 - 2212/1.8=1, 2198/3.0=1 HB2 LEU 93 - HB2 LEU 24 OK 10 92 - 11 - 2212/1.8=1 HG3 LYS 31 - HB2 LEU 24 poor 10 95 - 10 - 2198/3.0=2, 2212/1.8=1, ~2426=1 HG3 LYS 31 - HB3 LEU 58 poor 9 48 - 19 - ~2428=2, ~8304=2...(7) QB ALA 14 - HB2 LEU 24 lone 9 92 - 9 - 6303/1.8=3, ~6296=1 HB3 GLU 75 - HB2 LEU 24 lone 8 100 - 8 - 2212/1.8=1 HD3 LYS 65 - HB2 LEU 24 lone 7 99 - 7 - HD2 LYS 65 - HB2 LEU 24 lone 7 99 - 7 - HB3 LEU 101 - HB2 LEU 24 lone 7 97 - 8 - HB3 LEU 91 - HB3 LEU 58 poor 7 38 - 19 - 4390=2, 1.8/4383=2...(8) HB3 LEU 45 - HB3 LEU 58 lone 5 55 - 9 - 6840/3.1=2, 6840/3.1=2, ~6839=1 HG3 ARG 57 - HB3 LEU 58 poor 5 43 - 12 - 268/3.9=2 QB ALA 89 - HB3 LEU 58 lone 5 51 - 9 - 4358/3.0=1, 5784/3.9=1...(4) HB3 LEU 101 - HB3 LEU 58 lone 5 50 - 9 - 4663/3.1=1, 4663/3.1=1 QB ALA 89 - HB2 LEU 24 lone 4 97 - 4 - HD2 LYS 46 - HB3 LEU 58 lone 2 52 - 4 - HD2 LYS 65 - HB3 LEU 58 lone 2 53 - 4 - HD3 LYS 65 - HB3 LEU 58 lone 2 53 - 4 - QB ALA 98 - HB2 LEU 24 lone 2 65 - 3 - QB ALA 14 - HB3 LEU 58 lone 1 46 - 3 - HB3 GLU 75 - HB3 LEU 58 lone 1 55 - 2 - QB ALA 98 - HB3 LEU 58 lone 1 29 - 2 - Peak 2206 from cnoeabs.peaks (0.66, 1.51, 43.84 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 24 + HB2 LEU 24 OK 100 100 - 100 - 3.1=100 QD1 LEU 21 + HB2 LEU 24 OK 77 98 - 78 - ~6415=17, 2213/1.8=12...(20) QD2 LEU 24 - HB3 LEU 58 OK 43 55 - 79 - ~7066=14, ~8507=13...(22) QD1 LEU 77 - HB2 LEU 24 OK 33 68 - 49 - 2.1/2204=5, 2213/1.8=5...(21) QD1 LEU 45 - HB2 LEU 24 OK 30 87 - 35 - 2213/1.8=5, 2220/3.0=4...(17) QD1 LEU 21 - HB3 LEU 58 OK 22 52 - 42 - ~7068=6, 6365/3.1=5...(16) QD1 LEU 45 - HB3 LEU 58 poor 5 42 - 11 - 6365/3.1=2, 7053/3.9=1, ~6840=1 QD1 LEU 77 - HB3 LEU 58 lone 1 31 - 5 - Peak 2207 from cnoeabs.peaks (0.06, 1.51, 43.84 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 24 + HB2 LEU 24 OK 100 100 - 100 - 3.1=100 QD1 LEU 24 - HB3 LEU 58 OK 44 55 - 81 - 7067/3.1=20, 7066/3.1=19...(23) Peak 2208 from cnoeabs.peaks (8.09, 1.22, 43.84 ppm; 4.15 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 24 + HB3 LEU 24 OK 100 100 - 100 - 3.9=100 H SER 78 - HB3 LEU 24 OK 40 92 - 44 - 370=9, 2222/3.1=5...(11) H THR 33 - HB3 LEU 24 OK 30 95 - 32 - 132=5, 2201/1.8=4...(12) H GLY 39 - HB3 LEU 24 OK 21 99 - 21 - 2215/3.0=4, 2201/1.8=3...(6) H GLN 105 - HB3 LEU 24 OK 14 100 - 14 - 2201/1.8=2, 2222/3.1=2...(6) HD22 ASN 79 - HB3 LEU 24 OK 12 85 - 14 - 2201/1.8=2, 2194/3.0=2...(6) Peak 2209 from cnoeabs.peaks (4.10, 1.22, 43.84 ppm; 3.96 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 24 + HB3 LEU 24 OK 100 100 - 100 - 3.0=100 HA3 GLY 25 + HB3 LEU 24 OK 58 90 - 64 - 3.0/86=13, ~85=10...(15) HA ARG 57 - HB3 LEU 24 OK 42 90 - 46 - 2223/3.1=7, 2216/3.0=6...(20) HA LYS 31 - HB3 LEU 24 OK 16 93 - 17 - 3.6/905=3, 2216/3.0=2...(9) HA VAL 120 - HB3 LEU 24 poor 10 93 - 10 - 2202/1.8=1, 2230/3.1=1...(4) HB3 SER 78 - HB3 LEU 24 poor 8 60 - 13 - 3.9/370=4, 4040/3.9=1 HA SER 44 - HB3 LEU 24 lone 2 60 - 3 - Peak 2210 from cnoeabs.peaks (1.51, 1.22, 43.84 ppm; 3.36 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 24 + HB3 LEU 24 OK 100 100 - 100 - 1.8=100 HB3 LEU 58 + HB3 LEU 24 OK 53 85 - 63 - 8435/3.1=10, ~7066=7...(28) HD3 LYS 46 - HB3 LEU 24 OK 22 78 - 29 - 1.8/2212=3, 2196/3.0=3...(14) HG2 ARG 85 - HB3 LEU 24 OK 15 99 - 15 - 861/3.9=2, 2196/3.0=2...(8) HG LEU 91 - HB3 LEU 24 OK 14 89 - 16 - 2.1/8368=3, 2217/3.0=1...(6) HG LEU 93 - HB3 LEU 24 OK 11 93 - 11 - 2217/3.0=1, 2231/3.1=1...(4) HG3 ARG 92 - HB3 LEU 24 OK 10 100 - 10 - 2217/3.0=1, 2224/3.1=1 HG2 ARG 92 - HB3 LEU 24 OK 10 100 - 10 - 2217/3.0=1, 2224/3.1=1 HB3 LEU 114 - HB3 LEU 24 lone 8 99 - 8 - HG2 LYS 109 - HB3 LEU 24 lone 2 68 - 3 - Peak 2211 from cnoeabs.peaks (1.22, 1.22, 43.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 24 + HB3 LEU 24 OK 100 100 - 100 Peak 2212 from cnoeabs.peaks (1.45, 1.22, 43.84 ppm; 3.50 A): 2 out of 15 assignments used, quality = 1.00: * HG LEU 24 + HB3 LEU 24 OK 100 100 - 100 - 3.0=100 HG3 ARG 57 + HB3 LEU 24 OK 48 89 - 54 - ~7041=10, 7039/3.1=6...(25) HB3 LEU 45 - HB3 LEU 24 OK 33 100 - 33 - 2897/3.1=4, 3.1/2213=3...(17) HD2 LYS 46 - HB3 LEU 24 OK 31 99 - 32 - 1.8/2210=3, 2976/1.8=3...(14) QB ALA 14 - HB3 LEU 24 OK 13 92 - 14 - 6303=4, 2.1/6296=2 HB3 LEU 91 - HB3 LEU 24 OK 13 81 - 16 - 3.1/8368=2, 3.0/2210=2 HG2 LYS 119 - HB3 LEU 24 OK 12 97 - 13 - 2198/3.0=1, 2233/3.1=1...(4) HG3 LYS 31 - HB3 LEU 24 OK 12 95 - 13 - 2198/3.0=2, 4.0/2209=1...(5) HB2 LEU 93 - HB3 LEU 24 OK 12 92 - 13 - 3.0/2210=1, 2205/1.8=1 HB3 GLU 75 - HB3 LEU 24 OK 11 100 - 11 - HB3 LEU 101 - HB3 LEU 24 lone 9 97 - 10 - HD3 LYS 65 - HB3 LEU 24 lone 9 99 - 9 - HD2 LYS 65 - HB3 LEU 24 lone 9 99 - 9 - QB ALA 89 - HB3 LEU 24 lone 4 97 - 5 - QB ALA 98 - HB3 LEU 24 lone 3 65 - 5 - Peak 2213 from cnoeabs.peaks (0.66, 1.22, 43.84 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 24 + HB3 LEU 24 OK 100 100 - 100 - 3.1=100 QD1 LEU 21 + HB3 LEU 24 OK 76 98 - 78 - ~6415=16, 2.1/6462=12...(21) QD1 LEU 77 - HB3 LEU 24 OK 33 68 - 49 - 2.1/4022=5, 2199/3.0=5...(21) QD1 LEU 45 - HB3 LEU 24 OK 32 87 - 36 - 2220/3.0=4, 2234/3.1=4...(19) Peak 2214 from cnoeabs.peaks (0.06, 1.22, 43.84 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 24 + HB3 LEU 24 OK 100 100 - 100 - 3.1=100 Peak 2215 from cnoeabs.peaks (8.09, 1.45, 26.50 ppm; 3.66 A): 4 out of 6 assignments used, quality = 0.91: * H LEU 24 + HG LEU 24 OK 84 100 - 84 - 5.3=33, 865/2.1=31...(11) H SER 78 + HG LEU 24 OK 21 92 - 23 - 2222/2.1=5, 370/3.0=5...(6) H GLY 39 + HG LEU 24 OK 17 99 - 18 - 2222/2.1=3, 2229/2.1=3...(7) H THR 33 + HG LEU 24 OK 15 95 - 16 - 2208/3.0=3, 2222/2.1=3...(6) H GLN 105 - HG LEU 24 lone 10 100 - 9 - 2222/2.1=2, 2229/2.1=2...(5) HD22 ASN 79 - HG LEU 24 lone 7 85 - 9 - 2222/2.1=2, 2229/2.1=2...(5) Peak 2216 from cnoeabs.peaks (4.10, 1.45, 26.50 ppm; 4.26 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 24 + HG LEU 24 OK 99 100 - 99 - 4.3=99 HA3 GLY 25 + HG LEU 24 OK 54 90 - 60 - 3.0/87=10, ~5491=10...(10) HA ARG 57 + HG LEU 24 OK 50 90 - 55 - 2223/2.1=10, 2230/2.1=8...(17) HA LYS 31 - HG LEU 24 OK 17 93 - 18 - 2209/3.0=2, 2400=2...(9) HA VAL 120 - HG LEU 24 OK 10 93 - 11 - 2230/2.1=2, 2223/2.1=2...(4) HB3 SER 78 - HG LEU 24 poor 7 60 - 11 - 3.9/2215=4, 2223/2.1=1...(4) HA SER 44 - HG LEU 24 lone 3 60 - 6 - 3.6/967=2 Peak 2217 from cnoeabs.peaks (1.51, 1.45, 26.50 ppm; 3.02 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 24 + HG LEU 24 OK 100 100 - 100 - 3.0=100 HB3 LEU 58 + HG LEU 24 OK 47 85 - 55 - 8435/2.1=9, ~7066=8...(19) HD3 LYS 46 - HG LEU 24 OK 18 78 - 23 - 2224/2.1=2, 2231/2.1=2...(10) HG LEU 91 - HG LEU 24 OK 11 89 - 12 - 2224/2.1=1, 2231/2.1=1...(5) HG2 ARG 85 - HG LEU 24 OK 11 99 - 11 - 2224/2.1=2, ~6469=2...(4) HG LEU 93 - HG LEU 24 lone 8 93 - 9 - 2224/2.1=1, 2231/2.1=1 HG3 ARG 92 - HG LEU 24 lone 8 100 - 8 - 2224/2.1=1, 2231/2.1=1 HG2 ARG 92 - HG LEU 24 lone 8 100 - 8 - 2224/2.1=1, 2231/2.1=1 HB3 LEU 114 - HG LEU 24 lone 5 99 - 5 - HG2 LYS 109 - HG LEU 24 lone 2 68 - 2 - Peak 2218 from cnoeabs.peaks (1.22, 1.45, 26.50 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 24 + HG LEU 24 OK 100 100 - 100 - 3.0=100 QG2 VAL 18 + HG LEU 24 OK 52 95 - 55 - 8398=10, 6369/2.1=9...(16) HG LEU 77 - HG LEU 24 OK 44 92 - 48 - 2225/2.1=6, 2232/2.1=6...(23) HB2 LEU 77 - HG LEU 24 OK 29 63 - 46 - 2225/2.1=4, 2232/2.1=4...(27) HB3 LEU 111 - HG LEU 24 OK 18 100 - 18 - 2225/2.1=3, 2232/2.1=2...(6) HG2 LYS 32 - HG LEU 24 OK 18 100 - 18 - 2225/2.1=2, 2232/2.1=2...(10) HG13 ILE 124 - HG LEU 24 poor 9 81 - 11 - ~7041=2, 2225/2.1=1, 2232/2.1=1 Peak 2219 from cnoeabs.peaks (1.45, 1.45, 26.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 24 + HG LEU 24 OK 100 100 - 100 Peak 2220 from cnoeabs.peaks (0.66, 1.45, 26.50 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 24 + HG LEU 24 OK 100 100 - 100 - 2.1=100 QD1 LEU 21 + HG LEU 24 OK 65 98 - 66 - ~6415=16, 2234/2.1=11...(19) QD1 LEU 45 - HG LEU 24 OK 29 87 - 33 - 2915=4, 2234/2.1=4...(17) QD1 LEU 77 - HG LEU 24 OK 23 68 - 34 - 2.1/2218=4, 2234/2.1=3...(16) Peak 2221 from cnoeabs.peaks (0.06, 1.45, 26.50 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 24 + HG LEU 24 OK 100 100 - 100 - 2.1=100 Peak 2222 from cnoeabs.peaks (8.09, 0.66, 22.40 ppm; 3.95 A): 2 out of 6 assignments used, quality = 0.96: * H LEU 24 + QD2 LEU 24 OK 94 100 - 94 - 4.8=56, 865/2.1=36...(14) H SER 78 + QD2 LEU 24 OK 32 92 - 35 - 2215/2.1=5, 370/3.1=5...(12) H GLY 39 - QD2 LEU 24 OK 19 99 - 20 - 2215/2.1=4, 2229/2.1=4...(6) H THR 33 - QD2 LEU 24 OK 19 95 - 20 - 2215/2.1=4, 2208/3.1=4...(6) H GLN 105 - QD2 LEU 24 OK 13 100 - 13 - 2215/2.1=2, 2229/2.1=2...(5) HD22 ASN 79 - QD2 LEU 24 OK 11 85 - 13 - 2215/2.1=2, 2229/2.1=2...(6) Peak 2223 from cnoeabs.peaks (4.10, 0.66, 22.40 ppm; 2.97 A): 3 out of 7 assignments used, quality = 0.87: * HA LEU 24 + QD2 LEU 24 OK 73 100 - 73 - 4.0=42, 2200/2.1=19...(12) HA ARG 57 + QD2 LEU 24 OK 30 90 - 34 - 3.6/6478=6, 4.5/6469=5...(13) HA3 GLY 25 + QD2 LEU 24 OK 29 90 - 33 - 3.0/88=7, 2209/3.1=4...(11) HA LYS 31 - QD2 LEU 24 lone 6 93 - 6 - 2216/2.1=1, 2209/3.1=1 HA VAL 120 - QD2 LEU 24 lone 5 93 - 5 - HB3 SER 78 - QD2 LEU 24 lone 4 60 - 6 - 3.9/2222=2, 4.5/5491=1 HA SER 44 - QD2 LEU 24 lone 2 60 - 4 - 3.6/970=2 Peak 2224 from cnoeabs.peaks (1.51, 0.66, 22.40 ppm; 3.41 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 24 + QD2 LEU 24 OK 100 100 - 100 - 3.1=100 HB3 LEU 58 + QD2 LEU 24 OK 60 85 - 71 - 8435/2.1=12, ~7066=10...(21) HD3 LYS 46 - QD2 LEU 24 OK 24 78 - 31 - 1.8/2226=4, 2217/2.1=3...(14) HG2 ARG 85 - QD2 LEU 24 OK 16 99 - 16 - 3.0/6469=3, 2231/2.1=2...(6) HG LEU 91 - QD2 LEU 24 OK 14 89 - 16 - 2217/2.1=2, 2231/2.1=2...(5) HG LEU 93 - QD2 LEU 24 OK 11 93 - 12 - 2217/2.1=1, 2231/2.1=1 HG3 ARG 92 - QD2 LEU 24 OK 11 100 - 10 - 2217/2.1=1, 2231/2.1=1 HG2 ARG 92 - QD2 LEU 24 OK 11 100 - 10 - 2217/2.1=1, 2231/2.1=1 HB3 LEU 114 - QD2 LEU 24 lone 8 99 - 8 - HG2 LYS 109 - QD2 LEU 24 lone 3 68 - 4 - Peak 2225 from cnoeabs.peaks (1.22, 0.66, 22.40 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 24 + QD2 LEU 24 OK 100 100 - 100 - 3.1=100 QG2 VAL 18 - QD2 LEU 24 OK 45 95 - 47 - 6369=7, 3.2/6359=7...(14) HG LEU 77 - QD2 LEU 24 OK 39 92 - 43 - 2232/2.1=4, 4017=4...(21) HB2 LEU 77 - QD2 LEU 24 OK 24 63 - 38 - 2232/2.1=3, 2218/2.1=3...(21) HB3 LEU 111 - QD2 LEU 24 OK 16 100 - 16 - 2218/2.1=2, 2232/2.1=2...(5) HG2 LYS 32 - QD2 LEU 24 OK 14 100 - 14 - 2218/2.1=2, 2232/2.1=2...(6) HG13 ILE 124 - QD2 LEU 24 lone 7 81 - 9 - ~7041=1 Peak 2226 from cnoeabs.peaks (1.45, 0.66, 22.40 ppm; 2.97 A): 1 out of 15 assignments used, quality = 1.00: * HG LEU 24 + QD2 LEU 24 OK 100 100 - 100 - 2.1=100 HG3 ARG 57 - QD2 LEU 24 OK 40 89 - 45 - ~7041=9, 2.9/6469=7...(17) HB3 LEU 45 - QD2 LEU 24 OK 32 100 - 32 - 2897=4, 1.8/2890=3...(13) HD2 LYS 46 - QD2 LEU 24 OK 24 99 - 25 - 1.8/2224=3, 2233/2.1=2...(11) HG2 LYS 119 - QD2 LEU 24 lone 9 97 - 9 - 1.8/8206=1 HB3 LEU 91 - QD2 LEU 24 poor 9 81 - 11 - 3.0/2224=1 HB3 LEU 101 - QD2 LEU 24 lone 9 97 - 9 - 3.1/6470=1 HD3 LYS 65 - QD2 LEU 24 lone 8 99 - 8 - HD2 LYS 65 - QD2 LEU 24 lone 8 99 - 8 - QB ALA 14 - QD2 LEU 24 lone 8 92 - 9 - 6303/3.1=2 HB2 LEU 93 - QD2 LEU 24 lone 8 92 - 8 - HB3 GLU 75 - QD2 LEU 24 lone 8 100 - 8 - HG3 LYS 31 - QD2 LEU 24 lone 6 95 - 6 - QB ALA 89 - QD2 LEU 24 lone 4 97 - 4 - QB ALA 98 - QD2 LEU 24 lone 2 65 - 3 - Peak 2227 from cnoeabs.peaks (0.66, 0.66, 22.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 24 + QD2 LEU 24 OK 100 100 - 100 Peak 2228 from cnoeabs.peaks (0.06, 0.66, 22.40 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 24 + QD2 LEU 24 OK 100 100 - 100 - 2.1=100 Peak 2229 from cnoeabs.peaks (8.09, 0.06, 25.16 ppm; 4.62 A): 1 out of 6 assignments used, quality = 0.99: * H LEU 24 + QD1 LEU 24 OK 99 100 - 99 - 4.8=90, 3.0/2200=38...(17) H SER 78 - QD1 LEU 24 OK 32 92 - 35 - 2222/2.1=8, 370/3.1=7...(8) H GLY 39 - QD1 LEU 24 OK 28 99 - 28 - 2215/2.1=5, 2222/2.1=5...(10) H THR 33 - QD1 LEU 24 OK 25 95 - 26 - 2208/3.1=5, 2215/2.1=5...(9) H GLN 105 - QD1 LEU 24 OK 16 100 - 16 - 2222/2.1=3, 2215/2.1=3...(5) HD22 ASN 79 - QD1 LEU 24 OK 14 85 - 17 - 2222/2.1=3, 2215/2.1=2...(7) Peak 2230 from cnoeabs.peaks (4.10, 0.06, 25.16 ppm; 4.37 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 24 + QD1 LEU 24 OK 100 100 - 100 - 4.0=100 HA3 GLY 25 + QD1 LEU 24 OK 64 90 - 71 - 3.6/6491=24, ~5491=11...(14) HA ARG 57 + QD1 LEU 24 OK 56 90 - 63 - 3.6/7041=23, 2223/2.1=10...(18) HA LYS 31 - QD1 LEU 24 OK 14 93 - 15 - 2216/2.1=3, 2209/3.1=2...(5) HA VAL 120 - QD1 LEU 24 OK 12 93 - 13 - 2216/2.1=2, 2223/2.1=2...(5) HB3 SER 78 - QD1 LEU 24 poor 7 60 - 12 - 3.9/2229=4, 4040/4.8=1...(5) HA SER 44 - QD1 LEU 24 lone 2 60 - 4 - Peak 2231 from cnoeabs.peaks (1.51, 0.06, 25.16 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 24 + QD1 LEU 24 OK 100 100 - 100 - 3.1=100 HB3 LEU 58 + QD1 LEU 24 OK 68 85 - 80 - 3.1/7066=19, 3.1/7067=19...(23) HD3 LYS 46 - QD1 LEU 24 OK 25 78 - 33 - 1.8/2233=4, 2224/2.1=3...(13) HG2 ARG 85 - QD1 LEU 24 OK 17 99 - 17 - ~6469=3, 2224/2.1=2...(6) HG LEU 91 - QD1 LEU 24 OK 16 89 - 18 - 2217/2.1=2, 2224/2.1=2...(7) HG LEU 93 - QD1 LEU 24 OK 13 93 - 14 - 2217/2.1=2, 2224/2.1=2...(4) HG3 ARG 92 - QD1 LEU 24 OK 12 100 - 12 - 2224/2.1=2, 2217/2.1=1 HG2 ARG 92 - QD1 LEU 24 OK 12 100 - 12 - 2224/2.1=2, 2217/2.1=1 HB3 LEU 114 - QD1 LEU 24 lone 9 99 - 9 - 2224/2.1=1, 2217/2.1=1 HG2 LYS 109 - QD1 LEU 24 lone 4 68 - 5 - Peak 2232 from cnoeabs.peaks (1.22, 0.06, 25.16 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 24 + QD1 LEU 24 OK 100 100 - 100 - 3.1=100 QG2 VAL 18 + QD1 LEU 24 OK 49 95 - 52 - 2.1/7067=13, 6369/2.1=9...(17) HG LEU 77 - QD1 LEU 24 OK 43 92 - 47 - 2225/2.1=6, 2218/2.1=6...(21) HB2 LEU 77 - QD1 LEU 24 OK 27 63 - 44 - 2225/2.1=4, 2218/2.1=4...(27) HG2 LYS 32 - QD1 LEU 24 OK 16 100 - 16 - 2225/2.1=2, 2218/2.1=2...(7) HB3 LEU 111 - QD1 LEU 24 OK 16 100 - 16 - 2225/2.1=3, 2218/2.1=2...(5) HG13 ILE 124 - QD1 LEU 24 poor 9 81 - 10 - 1.8/7041=2, 2225/2.1=1 Peak 2233 from cnoeabs.peaks (1.45, 0.06, 25.16 ppm; 3.44 A): 2 out of 15 assignments used, quality = 1.00: * HG LEU 24 + QD1 LEU 24 OK 100 100 - 100 - 2.1=100 HG3 ARG 57 + QD1 LEU 24 OK 47 89 - 53 - 1.8/7041=18, 7039/2.1=7...(17) HB3 LEU 45 - QD1 LEU 24 OK 36 100 - 36 - 2897/2.1=5, 3.1/2234=3...(17) HD2 LYS 46 - QD1 LEU 24 OK 30 99 - 30 - 2226/2.1=3, 1.8/2231=3...(13) HG2 LYS 119 - QD1 LEU 24 OK 12 97 - 13 - 1.8/8205=1, 2226/2.1=1, ~8206=1 HB3 LEU 91 - QD1 LEU 24 OK 12 81 - 14 - 3.0/2231=1, 2226/2.1=1...(4) HB2 LEU 93 - QD1 LEU 24 OK 11 92 - 12 - 3.0/2231=1, 2226/2.1=1 HB3 LEU 101 - QD1 LEU 24 OK 11 97 - 11 - 3.1/6465=1, 2226/2.1=1 HD3 LYS 65 - QD1 LEU 24 lone 10 99 - 10 - 2226/2.1=1 HD2 LYS 65 - QD1 LEU 24 lone 10 99 - 10 - 2226/2.1=1 QB ALA 14 - QD1 LEU 24 poor 10 92 - 11 - 6303/3.1=2, 2226/2.1=1, ~6296=1 HB3 GLU 75 - QD1 LEU 24 lone 10 100 - 10 - 2226/2.1=1 HG3 LYS 31 - QD1 LEU 24 lone 8 95 - 9 - 2198/4.0=1 QB ALA 89 - QD1 LEU 24 lone 5 97 - 5 - QB ALA 98 - QD1 LEU 24 lone 2 65 - 3 - Peak 2234 from cnoeabs.peaks (0.66, 0.06, 25.16 ppm; 2.97 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 24 + QD1 LEU 24 OK 100 100 - 100 - 2.1=100 QD1 LEU 21 + QD1 LEU 24 OK 67 98 - 69 - 2.1/6415=25, 3.7/6403=13...(22) QD1 LEU 45 - QD1 LEU 24 OK 22 87 - 25 - 2220/2.1=4, 2213/3.1=2...(13) QD1 LEU 77 - QD1 LEU 24 OK 19 68 - 28 - 2.1/2232=3, 2220/2.1=3...(15) Peak 2235 from cnoeabs.peaks (0.06, 0.06, 25.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 24 + QD1 LEU 24 OK 100 100 - 100 Peak 2236 from cnoeabs.peaks (7.82, 3.94, 44.97 ppm; 3.52 A): 1 out of 15 assignments used, quality = 1.00: * H GLY 25 + HA2 GLY 25 OK 100 100 - 100 - 3.0=100 HD21 ASN 99 - HA2 GLY 25 OK 22 97 - 23 - 90/3.6=6, 2239/1.8=5...(5) H ASN 79 - HA2 GLY 25 lone 8 81 - 10 - 2239/1.8=2, 90/3.6=2, 4.6/1658=2 HD21 ASN 106 - HA2 GLY 25 lone 4 99 - 4 - 90/3.6=1 H GLY 25 - HA2 GLY 125 lone 3 50 - 5 - 867=1 H GLY 25 - HA3 GLY 125 lone 3 50 - 5 - 867=1 H PHE 83 - HA2 GLY 25 lone 2 60 - 3 - HD21 ASN 99 - HA3 GLY 125 lone 1 46 - 1 - HD21 ASN 99 - HA2 GLY 125 lone 1 46 - 1 - H ASN 79 - HA2 GLY 125 lone 1 34 - 2 - H ASN 79 - HA3 GLY 125 lone 1 34 - 2 - H PHE 83 - HA2 GLY 125 lone 1 24 - 2 - H PHE 83 - HA3 GLY 125 lone 1 24 - 2 - HD21 ASN 106 - HA3 GLY 125 lone 0 48 - 1 - HD21 ASN 106 - HA2 GLY 125 lone 0 48 - 1 - Peak 2237 from cnoeabs.peaks (3.94, 3.94, 44.97 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 25 + HA2 GLY 25 OK 100 100 - 100 HA3 GLY 125 - HA3 GLY 125 OK 38 38 - 100 HA2 GLY 125 - HA2 GLY 125 OK 38 38 - 100 Peak 2238 from cnoeabs.peaks (4.11, 3.94, 44.97 ppm; 3.00 A): 1 out of 30 assignments used, quality = 1.00: * HA3 GLY 25 + HA2 GLY 25 OK 100 100 - 100 - 1.8=100 HA LEU 24 - HA2 GLY 25 OK 30 90 - 33 - 84/3.0=8, ~1439=4...(10) HA ARG 57 - HA2 GLY 25 OK 12 100 - 12 - 3.6/6484=3, 92/3.6=2...(4) HA ILE 124 - HA3 GLY 125 poor 10 26 - 36 - 5935/3.0=9, 3.0/8109=4...(12) HA ILE 124 - HA2 GLY 125 poor 10 26 - 36 - 5935/3.0=9, 3.0/8109=4...(12) HB3 SER 78 - HA2 GLY 25 lone 7 95 - 8 - 3.9/1658=2, 5735/3.0=1 HA ILE 63 - HA2 GLY 25 lone 3 73 - 4 - HA3 GLY 25 - HA3 GLY 125 lone 2 50 - 4 - HA3 GLY 25 - HA2 GLY 125 lone 2 50 - 4 - HA ALA 98 - HA2 GLY 25 lone 2 76 - 2 - HA ILE 124 - HA2 GLY 25 lone 1 65 - 2 - HA PRO 37 - HA2 GLY 25 lone 1 60 - 2 - HA ARG 57 - HA2 GLY 125 lone 1 50 - 2 - HA ARG 57 - HA3 GLY 125 lone 1 50 - 2 - HB3 SER 78 - HA3 GLY 125 lone 1 44 - 2 - HB3 SER 78 - HA2 GLY 125 lone 1 44 - 2 - HA LEU 24 - HA3 GLY 125 lone 1 40 - 2 - HA LEU 24 - HA2 GLY 125 lone 1 40 - 2 - HA ILE 63 - HA3 GLY 125 lone 1 30 - 2 - HA ILE 63 - HA2 GLY 125 lone 1 30 - 2 - HA ASN 108 - HA2 GLY 25 lone 1 60 - 1 - HB3 SER 72 - HA2 GLY 25 lone 0 71 - 1 - HB3 SER 72 - HA3 GLY 125 lone 0 29 - 1 - HB3 SER 72 - HA2 GLY 125 lone 0 29 - 1 - HA ALA 98 - HA2 GLY 125 lone 0 32 - 1 - HA ALA 98 - HA3 GLY 125 lone 0 32 - 1 - HA PRO 37 - HA3 GLY 125 lone 0 24 - 1 - HA PRO 37 - HA2 GLY 125 lone 0 24 - 1 - HA ASN 108 - HA2 GLY 125 lone 0 24 - 1 - HA ASN 108 - HA3 GLY 125 lone 0 24 - 1 - Peak 2239 from cnoeabs.peaks (7.82, 4.11, 44.97 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 25 + HA3 GLY 25 OK 100 100 - 100 - 3.0=100 HD21 ASN 99 - HA3 GLY 25 OK 20 97 - 21 - 90/3.6=5, 2236/1.8=5...(5) H ASN 79 - HA3 GLY 25 poor 9 81 - 11 - 376=2, 90/3.6=2...(5) HD21 ASN 106 - HA3 GLY 25 lone 4 99 - 3 - 90/3.6=1 H PHE 83 - HA3 GLY 25 lone 1 60 - 2 - Peak 2240 from cnoeabs.peaks (3.94, 4.11, 44.97 ppm; 3.01 A): 1 out of 10 assignments used, quality = 1.00: * HA2 GLY 25 + HA3 GLY 25 OK 100 100 - 100 - 1.8=100 HA THR 23 - HA3 GLY 25 OK 34 100 - 34 - 6445/3.0=8, 6458=5...(11) HA ARG 85 - HA3 GLY 25 lone 6 100 - 6 - ~6481=2, 867/3.0=2 HA2 GLY 125 - HA3 GLY 25 lone 3 87 - 3 - HA3 GLY 125 - HA3 GLY 25 lone 3 87 - 3 - HA SER 74 - HA3 GLY 25 lone 2 93 - 3 - HB THR 62 - HA3 GLY 25 lone 1 83 - 1 - HA ALA 43 - HA3 GLY 25 lone 1 93 - 1 - HD3 PRO 68 - HA3 GLY 25 lone 1 83 - 1 - HD2 PRO 68 - HA3 GLY 25 lone 1 78 - 1 - Peak 2241 from cnoeabs.peaks (4.11, 4.11, 44.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 25 + HA3 GLY 25 OK 100 100 - 100 Peak 2242 from cnoeabs.peaks (7.25, 4.22, 60.97 ppm; 3.64 A): 1 out of 14 assignments used, quality = 1.00: * H VAL 26 + HA VAL 26 OK 100 100 - 100 - 3.0=100 HE ARG 57 - HA VAL 26 OK 33 93 - 35 - 2252/3.2=7, 2257/3.2=6...(11) QE PHE 96 - HA VAL 26 OK 31 100 - 31 - 4725/3.2=6, 4725/3.2=6...(11) H VAL 26 - HA SER 13 OK 21 99 - 21 - 870=4, 4.0/2258=2...(8) QD PHE 96 - HA VAL 26 OK 20 76 - 26 - ~4725=4, 2252/3.2=3...(11) HE ARG 71 - HA VAL 26 lone 9 100 - 9 - 2.9/8690=2 QD TYR 102 - HA VAL 26 lone 6 68 - 8 - 93/3.6=2 QE PHE 40 - HA VAL 26 lone 4 60 - 6 - 93/3.6=2 QD TYR 102 - HA SER 13 lone 4 66 - 6 - ~17=1 QE PHE 96 - HA SER 13 lone 2 99 - 2 - HE ARG 57 - HA SER 13 lone 2 92 - 2 - HE ARG 71 - HA SER 13 lone 2 99 - 2 - QE PHE 40 - HA SER 13 lone 2 58 - 3 - QD PHE 96 - HA SER 13 lone 1 74 - 2 - Peak 2243 from cnoeabs.peaks (4.22, 4.22, 60.97 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA VAL 26 + HA VAL 26 OK 100 100 - 100 HA SER 13 + HA SER 13 OK 99 99 - 100 Peak 2244 from cnoeabs.peaks (2.19, 4.22, 60.97 ppm; 3.22 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 26 + HA VAL 26 OK 100 100 - 100 - 3.0=100 HG2 PRO 37 - HA VAL 26 OK 33 99 - 33 - 2259/3.2=4, 2254/3.2=4...(15) HB VAL 49 - HA VAL 26 OK 28 99 - 28 - 2254/3.2=3, 2259/3.2=3...(14) HB3 PRO 37 - HA VAL 26 OK 27 83 - 33 - 2259/3.2=4, 2254/3.2=3...(15) HB VAL 26 - HA SER 13 OK 21 99 - 21 - 2.1/2258=3, 2.1/2253=3...(9) HB2 GLU 73 - HA VAL 26 OK 15 100 - 15 - 2259/3.2=2, 2254/3.2=2...(9) HG2 PRO 37 - HA SER 13 lone 10 98 - 10 - 2691/4.9=2, 5546/2.9=1 HB3 PRO 37 - HA SER 13 poor 8 81 - 10 - 5598/3.6=2, 2684/4.9=1 HB VAL 49 - HA SER 13 lone 8 97 - 8 - 5598/3.6=2 HB2 GLU 73 - HA SER 13 lone 2 99 - 2 - Peak 2245 from cnoeabs.peaks (0.63, 4.22, 60.97 ppm; 2.90 A): 2 out of 10 assignments used, quality = 0.96: * QG2 VAL 26 + HA VAL 26 OK 83 100 - 83 - 3.2=74, 873/3.0=10...(7) QG1 VAL 26 + HA VAL 26 OK 78 95 - 83 - 3.2=74, 873/3.0=11...(7) QD1 LEU 21 - HA VAL 26 OK 19 60 - 32 - ~6490=4, ~8213=3...(14) QG2 VAL 26 - HA SER 13 OK 18 99 - 18 - 2.1/2258=3, 2253=3...(6) QG1 VAL 26 - HA SER 13 OK 18 93 - 19 - 2258=3, 2.1/2253=2...(7) QD1 LEU 51 - HA VAL 26 OK 13 100 - 13 - 97/3.6=2, 873/3.0=2...(4) QD1 LEU 45 - HA VAL 26 lone 7 83 - 8 - QD1 LEU 21 - HA SER 13 lone 2 58 - 3 - QD1 LEU 51 - HA SER 13 lone 2 99 - 2 - QD1 LEU 45 - HA SER 13 lone 1 81 - 1 - Peak 2246 from cnoeabs.peaks (0.61, 4.22, 60.97 ppm; 2.90 A): 2 out of 6 assignments used, quality = 0.96: * QG1 VAL 26 + HA VAL 26 OK 83 100 - 83 - 3.2=74, 873/3.0=11...(7) QG2 VAL 26 + HA VAL 26 OK 78 95 - 83 - 3.2=74, 873/3.0=11...(8) QG1 VAL 26 - HA SER 13 OK 20 99 - 20 - 2258=4, 2.1/2253=2...(7) QG2 VAL 26 - HA SER 13 OK 17 93 - 18 - 2.1/2258=3, 2253=2...(6) QD1 LEU 51 - HA VAL 26 OK 13 97 - 13 - 97/3.6=2, 873/3.0=2...(4) QD1 LEU 51 - HA SER 13 lone 2 96 - 2 - Peak 2247 from cnoeabs.peaks (7.25, 2.19, 31.17 ppm; 4.41 A): 1 out of 21 assignments used, quality = 1.00: * H VAL 26 + HB VAL 26 OK 100 100 - 100 - 3.9=100 HE ARG 57 - HB VAL 26 OK 44 93 - 48 - 8551/2.1=12, ~7043=10...(8) QE PHE 96 - HB VAL 26 OK 44 100 - 44 - 4725/2.1=11, 4725/2.1=11...(9) QD PHE 96 - HB VAL 26 OK 29 76 - 38 - ~4725=7, ~8136=6...(10) H VAL 26 - HB VAL 49 OK 25 82 - 31 - 871=7, 3.0/2244=5...(10) H VAL 26 - HB3 PRO 37 OK 25 83 - 31 - 871/2.3=5, 4.0/2259=5...(9) HE ARG 57 - HB3 PRO 37 OK 12 72 - 17 - 3.5/6680=2, ~3334=2...(9) QE PHE 40 - HB3 PRO 37 OK 10 43 - 24 - ~6699=13, ~4666=7...(4) HE ARG 71 - HB VAL 26 lone 9 100 - 9 - 2257/2.1=2, ~8690=2...(4) QD TYR 102 - HB3 PRO 37 poor 7 49 - 14 - 4608/3.0=3, ~4693=2...(7) QD TYR 102 - HB VAL 26 lone 7 68 - 10 - 93/4.4=2, 2.2/4756=2...(4) QE PHE 96 - HB3 PRO 37 lone 7 82 - 8 - 4716/2.3=2, ~6699=2, ~4707=1 QE PHE 40 - HB VAL 26 lone 4 60 - 7 - 93/4.4=2, 4725/2.1=1, 8136/2.1=1 QE PHE 96 - HB VAL 49 lone 4 81 - 5 - QD PHE 96 - HB3 PRO 37 lone 4 56 - 7 - 4707/2.3=2, ~4716=1 HE ARG 57 - HB VAL 49 lone 3 72 - 4 - QD PHE 96 - HB VAL 49 lone 2 55 - 3 - QE PHE 40 - HB VAL 49 lone 2 43 - 4 - QD TYR 102 - HB VAL 49 lone 2 49 - 3 - HE ARG 71 - HB VAL 49 lone 1 81 - 2 - HE ARG 71 - HB3 PRO 37 lone 1 81 - 2 - Peak 2248 from cnoeabs.peaks (4.22, 2.19, 31.17 ppm; 3.46 A): 1 out of 33 assignments used, quality = 1.00: * HA VAL 26 + HB VAL 26 OK 100 100 - 100 - 3.0=100 HA CYS 52 - HB VAL 49 OK 43 82 - 52 - ~1616=9, ~6041=8...(14) HA ILE 22 - HB VAL 26 OK 35 100 - 35 - 6423/4.4=11, 6422/3.9=7...(10) HA VAL 66 - HB VAL 49 OK 34 80 - 43 - ~7185=8, ~8494=8...(11) HA VAL 26 - HB3 PRO 37 OK 34 83 - 41 - 2244=5, 2244/2.3=4...(19) HA VAL 26 - HB VAL 49 OK 28 82 - 34 - 2244=6, 3.2/2254=3...(14) HA SER 13 - HB VAL 26 OK 25 100 - 25 - 2244=4, 2258/2.1=4...(10) HA CYS 52 - HB VAL 26 OK 20 100 - 21 - 2258/2.1=4, 2253/2.1=4...(7) HA3 GLY 48 - HB VAL 26 OK 16 65 - 24 - ~6886=5, 6891/2.1=4...(7) HA3 GLY 48 - HB VAL 49 OK 14 47 - 30 - 3.6/990=13, ~8495=5...(8) HA LEU 126 - HB VAL 49 OK 13 74 - 18 - 5388/2.1=4, 5387/2.1=2...(8) HA THR 17 - HB VAL 26 OK 11 93 - 12 - ~5949=2, 2253/2.1=2...(5) HA SER 13 - HB3 PRO 37 OK 11 81 - 13 - 2244=2, 3.6/6301=1, 2244/2.3=1 HA VAL 66 - HB VAL 26 lone 9 99 - 9 - 2258/2.1=1, 2253/2.1=1 HA SER 13 - HB VAL 49 lone 7 81 - 9 - 2244=2, 3.6/5598=1, 5439/4.4=1 HA ILE 22 - HB VAL 49 lone 6 81 - 8 - HA LEU 126 - HB VAL 26 lone 5 96 - 6 - HA THR 17 - HB3 PRO 37 lone 3 72 - 5 - ~6341=1, ~5953=1 HB THR 19 - HB3 PRO 37 lone 3 45 - 7 - 5963/3.0=1, ~6378=1 HA CYS 52 - HB3 PRO 37 lone 3 83 - 4 - HA THR 17 - HB VAL 49 lone 3 72 - 4 - HA ILE 22 - HB3 PRO 37 lone 2 81 - 3 - HA ALA 89 - HB3 PRO 37 lone 2 58 - 3 - HA VAL 66 - HB3 PRO 37 lone 2 81 - 2 - HA3 GLY 61 - HB3 PRO 37 lone 2 47 - 4 - ~5654=1, ~282=1 HB THR 19 - HB VAL 26 lone 1 63 - 2 - HB THR 19 - HB VAL 49 lone 1 45 - 3 - HA ALA 89 - HB VAL 26 lone 1 78 - 1 - HA3 GLY 48 - HB3 PRO 37 lone 1 47 - 2 - HA LEU 126 - HB3 PRO 37 lone 1 75 - 1 - HA3 GLY 61 - HB VAL 26 lone 1 65 - 1 - HA ALA 89 - HB VAL 49 lone 1 57 - 1 - HA3 GLY 61 - HB VAL 49 lone 0 47 - 1 - Peak 2249 from cnoeabs.peaks (2.19, 2.19, 31.17 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 26 + HB VAL 26 OK 100 100 - 100 HB VAL 49 + HB VAL 49 OK 79 79 - 100 HB3 PRO 37 + HB3 PRO 37 OK 62 62 - 100 Peak 2250 from cnoeabs.peaks (0.63, 2.19, 31.17 ppm; 2.93 A): 2 out of 15 assignments used, quality = 1.00: * QG2 VAL 26 + HB VAL 26 OK 100 100 - 100 - 2.1=100 QG1 VAL 26 + HB VAL 26 OK 95 95 - 100 - 2.1=100 QG2 VAL 26 - HB3 PRO 37 OK 29 83 - 36 - 2254=5, 2254/2.3=4...(15) QG1 VAL 26 - HB3 PRO 37 OK 27 74 - 37 - 2259=5, 2259/2.3=4...(16) QG2 VAL 26 - HB VAL 49 OK 21 82 - 25 - 2254=5, 2.1/2259=3...(10) QD1 LEU 21 - HB VAL 26 OK 18 60 - 31 - ~8213=5, ~8223=4...(15) QG1 VAL 26 - HB VAL 49 OK 18 73 - 25 - 2259=4, 2.1/2254=3...(10) QD1 LEU 51 - HB VAL 26 OK 13 100 - 13 - ~3101=2, ~3094=2...(7) QD1 LEU 45 - HB VAL 26 poor 9 83 - 10 - 2.1/8535=1 QD1 LEU 21 - HB VAL 49 lone 3 43 - 6 - QD1 LEU 45 - HB VAL 49 lone 2 61 - 3 - QD1 LEU 51 - HB3 PRO 37 lone 2 82 - 2 - ~6674=1 QD1 LEU 51 - HB VAL 49 lone 1 82 - 2 - QD1 LEU 45 - HB3 PRO 37 lone 1 62 - 2 - QD1 LEU 21 - HB3 PRO 37 lone 1 43 - 2 - Peak 2251 from cnoeabs.peaks (0.61, 2.19, 31.17 ppm; 2.93 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 26 + HB VAL 26 OK 100 100 - 100 - 2.1=100 QG2 VAL 26 + HB VAL 26 OK 95 95 - 100 - 2.1=100 QG1 VAL 26 - HB3 PRO 37 OK 32 83 - 38 - 2259=5, 2259/2.3=5...(16) QG2 VAL 26 - HB3 PRO 37 OK 26 74 - 35 - 2254=5, 2254/2.3=4...(15) QG1 VAL 26 - HB VAL 49 OK 21 82 - 25 - 2259=5, 2.1/2254=3...(10) QG2 VAL 26 - HB VAL 49 OK 18 73 - 25 - 2254=4, 2.1/2259=3...(10) QD1 LEU 51 - HB VAL 26 OK 13 97 - 13 - ~3101=2, ~3094=2...(7) QD1 LEU 51 - HB3 PRO 37 lone 2 77 - 2 - ~6674=1 QD1 LEU 51 - HB VAL 49 lone 1 77 - 2 - Peak 2252 from cnoeabs.peaks (7.25, 0.63, 20.28 ppm; 3.29 A): 3 out of 7 assignments used, quality = 0.95: * H VAL 26 + QG2 VAL 26 OK 83 100 - 83 - 4.0=57, 873/2.1=18...(16) HE ARG 57 + QG2 VAL 26 OK 50 93 - 54 - 2.9/7043=8, 2.9/7042=8...(16) QE PHE 96 + QG2 VAL 26 OK 38 100 - 38 - 4725=6, 4725/2.1=6...(10) QD PHE 96 - QG2 VAL 26 OK 24 76 - 32 - 2.2/4725=6, ~4725=4...(12) HE ARG 71 - QG2 VAL 26 lone 5 100 - 5 - QD TYR 102 - QG2 VAL 26 lone 4 68 - 7 - 93/4.1=2 QE PHE 40 - QG2 VAL 26 lone 4 60 - 6 - 93/4.1=1 Peak 2253 from cnoeabs.peaks (4.22, 0.63, 20.28 ppm; 3.69 A): 2 out of 11 assignments used, quality = 1.00: * HA VAL 26 + QG2 VAL 26 OK 100 100 - 100 - 3.2=100 HA ILE 22 + QG2 VAL 26 OK 47 100 - 47 - 6423/4.1=14, 4.9/8215=8...(11) HA CYS 52 - QG2 VAL 26 OK 31 100 - 31 - 3.0/230=5, 2258/2.1=5...(12) HA SER 13 - QG2 VAL 26 OK 29 100 - 29 - 2258/2.1=4, 2245=4...(11) HA3 GLY 48 - QG2 VAL 26 OK 23 65 - 35 - 1.8/6886=7, ~6886=6...(10) HA THR 17 - QG2 VAL 26 OK 16 93 - 17 - ~5949=3, 3.2/8194=2...(7) HA VAL 66 - QG2 VAL 26 OK 12 99 - 12 - 2258/2.1=2 HA LEU 126 - QG2 VAL 26 lone 7 96 - 7 - 2258/2.1=1 HB THR 19 - QG2 VAL 26 lone 3 63 - 4 - HA ALA 89 - QG2 VAL 26 lone 2 78 - 2 - HA3 GLY 61 - QG2 VAL 26 lone 1 65 - 1 - Peak 2254 from cnoeabs.peaks (2.19, 0.63, 20.28 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 26 + QG2 VAL 26 OK 100 100 - 100 - 2.1=100 HG2 PRO 37 - QG2 VAL 26 OK 40 99 - 41 - 2259/2.1=6, 2244/3.2=3...(20) HB3 PRO 37 - QG2 VAL 26 OK 33 83 - 40 - 2259/2.1=5, 2250=4...(21) HB VAL 49 - QG2 VAL 26 OK 30 99 - 30 - 2259/2.1=4, 2250=3...(13) HB2 GLU 73 - QG2 VAL 26 OK 20 100 - 20 - 3.0/6510=3, 2259/2.1=3...(8) Peak 2255 from cnoeabs.peaks (0.63, 0.63, 20.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 26 + QG2 VAL 26 OK 100 100 - 100 Peak 2256 from cnoeabs.peaks (0.61, 0.63, 20.28 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: QG2 VAL 26 + QG2 VAL 26 OK 95 95 - 100 Reference assignment not found: QG1 VAL 26 - QG2 VAL 26 Peak 2257 from cnoeabs.peaks (7.25, 0.61, 21.38 ppm; 3.68 A): 3 out of 7 assignments used, quality = 0.98: * H VAL 26 + QG1 VAL 26 OK 94 100 - 94 - 4.0=80, 873/2.1=20...(15) HE ARG 57 + QG1 VAL 26 OK 55 93 - 59 - 2.9/7043=11, 2.9/7042=10...(14) QE PHE 96 + QG1 VAL 26 OK 47 100 - 47 - 2.2/4732=11, 4725=10...(12) QD PHE 96 - QG1 VAL 26 OK 32 76 - 42 - 2.2/4725=8, 3.8/4732=7...(13) HE ARG 71 - QG1 VAL 26 lone 9 100 - 9 - 2242/3.2=1, 3.6/8219=1 QD TYR 102 - QG1 VAL 26 lone 6 68 - 9 - 93/4.1=2 QE PHE 40 - QG1 VAL 26 lone 5 60 - 9 - 93/4.1=2, 4.4/6508=1, 4725=1 Peak 2258 from cnoeabs.peaks (4.22, 0.61, 21.38 ppm; 3.27 A): 1 out of 11 assignments used, quality = 1.00: * HA VAL 26 + QG1 VAL 26 OK 100 100 - 100 - 3.2=100 HA ILE 22 - QG1 VAL 26 OK 35 100 - 35 - 6423/4.1=11, 6422/4.0=6...(10) HA CYS 52 - QG1 VAL 26 OK 29 100 - 29 - 3.6/6963=7, 3.0/230=4...(9) HA SER 13 - QG1 VAL 26 OK 25 100 - 25 - 2246=5, 2253/2.1=3...(9) HA3 GLY 48 - QG1 VAL 26 OK 18 65 - 28 - 1.8/6886=6, ~6886=4...(9) HA THR 17 - QG1 VAL 26 OK 10 93 - 11 - ~5949=2, 2253/2.1=2, ~8194=1 HA VAL 66 - QG1 VAL 26 lone 10 99 - 10 - 2253/2.1=1 HA LEU 126 - QG1 VAL 26 lone 6 96 - 7 - HB THR 19 - QG1 VAL 26 lone 2 63 - 3 - HA ALA 89 - QG1 VAL 26 lone 1 78 - 2 - HA3 GLY 61 - QG1 VAL 26 lone 1 65 - 1 - Peak 2259 from cnoeabs.peaks (2.19, 0.61, 21.38 ppm; 3.29 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 26 + QG1 VAL 26 OK 100 100 - 100 - 2.1=100 HG2 PRO 37 - QG1 VAL 26 OK 42 99 - 42 - 2254/2.1=6, 1.8/8217=4...(21) HB3 PRO 37 - QG1 VAL 26 OK 35 83 - 42 - 2251=5, 2254/2.1=5...(22) HB VAL 49 - QG1 VAL 26 OK 30 99 - 30 - 2254/2.1=4, 2251=3...(12) HB2 GLU 73 - QG1 VAL 26 OK 21 100 - 21 - 3.0/6506=3, 2254/2.1=3...(9) Peak 2260 from cnoeabs.peaks (0.63, 0.61, 21.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 26 + QG1 VAL 26 OK 95 95 - 100 Reference assignment not found: QG2 VAL 26 - QG1 VAL 26 Peak 2261 from cnoeabs.peaks (0.61, 0.61, 21.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 26 + QG1 VAL 26 OK 100 100 - 100 Peak 2262 from cnoeabs.peaks (6.76, 4.54, 52.61 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 27 + HA LEU 27 OK 100 100 - 100 - 3.0=100 HD22 ASN 99 - HA LEU 27 OK 31 100 - 31 - ~6540=5, 2269/3.0=3...(14) HZ PHE 107 - HA LEU 27 OK 31 100 - 31 - 2269/3.0=5, 2276/3.0=5...(9) HE21 GLN 42 - HA LEU 27 OK 29 99 - 29 - 2276/3.0=5, 2269/3.0=4...(10) Peak 2263 from cnoeabs.peaks (4.54, 4.54, 52.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 27 + HA LEU 27 OK 100 100 - 100 Peak 2264 from cnoeabs.peaks (1.40, 4.54, 52.61 ppm; 3.84 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 27 + HA LEU 27 OK 100 100 - 100 - 3.0=100 QG2 THR 121 - HA LEU 27 OK 40 83 - 49 - 8086/3.0=8, 8084/4.0=6...(17) HG LEU 59 - HA LEU 27 OK 27 100 - 27 - 2278/3.0=4, 2285/4.3=3...(13) HB2 LEU 51 - HA LEU 27 OK 26 76 - 34 - ~6517=3, ~6518=3...(20) HB2 LEU 111 - HA LEU 27 OK 21 99 - 21 - 876/3.0=3, 2278/3.0=2...(9) HB3 LEU 93 - HA LEU 27 OK 19 93 - 21 - 2278/3.0=3, 2299/4.0=2...(9) HB VAL 110 - HA LEU 27 OK 15 100 - 15 - 2278/3.0=2, 876/3.0=2...(9) QB ALA 122 - HA LEU 27 OK 12 90 - 14 - 2.9/626=3, ~8096=2...(5) QB ALA 98 - HA LEU 27 poor 9 68 - 13 - 3.5/1262=2, ~1266=1...(4) HG2 LYS 31 - HA LEU 27 lone 6 68 - 8 - 100/3.6=1 Peak 2265 from cnoeabs.peaks (1.01, 4.54, 52.61 ppm; 3.80 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 27 + HA LEU 27 OK 100 100 - 100 - 3.0=100 QD1 LEU 58 + HA LEU 27 OK 46 100 - 46 - 7062/3.0=7, 8749=5...(18) QD2 LEU 58 - HA LEU 27 OK 42 95 - 45 - 8748=6, 2272/3.0=5...(17) QD1 LEU 101 - HA LEU 27 OK 25 81 - 31 - 7722/3.0=4, 8445/3.0=4...(14) QD2 LEU 101 - HA LEU 27 OK 22 71 - 32 - ~7722=3, 877/3.0=3...(16) QG1 VAL 120 - HA LEU 27 OK 19 73 - 26 - 2.1/8067=5, 3.9/1398=3...(14) QG1 VAL 18 - HA LEU 27 OK 18 78 - 22 - ~8394=3, 2300/4.0=3...(11) HG2 LYS 65 - HA LEU 27 lone 3 68 - 4 - HG3 LYS 65 - HA LEU 27 lone 3 68 - 4 - Peak 2266 from cnoeabs.peaks (1.65, 4.54, 52.61 ppm; 4.24 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 27 + HA LEU 27 OK 99 100 - 99 - 4.3=98, 2.1/2291=15...(12) HB3 LEU 41 + HA LEU 27 OK 55 100 - 55 - 6763/3.0=8, 2301/4.0=6...(22) HB3 GLN 42 - HA LEU 27 OK 45 90 - 50 - 2280/3.0=5, 2273/3.0=5...(21) HG LEU 51 - HA LEU 27 OK 37 87 - 43 - ~6517=6, ~6518=6...(17) HB ILE 34 - HA LEU 27 OK 27 100 - 28 - 2273/3.0=4, 2280/3.0=4...(9) HG3 ARG 85 - HA LEU 27 OK 22 99 - 23 - 4.0/8745=4, 5.0/1698=4...(10) HB2 LEU 59 - HA LEU 27 OK 16 63 - 26 - 3.0/2264=3, ~3407=3...(13) HB3 LYS 32 - HA LEU 27 lone 5 95 - 5 - 102/3.6=1 Peak 2267 from cnoeabs.peaks (0.93, 4.54, 52.61 ppm; 3.20 A): 3 out of 11 assignments used, quality = 0.96: QD2 LEU 27 + HA LEU 27 OK 76 100 - 76 - 4.0=50, 2300/3.0=10...(15) * QD1 LEU 27 + HA LEU 27 OK 72 100 - 72 - 4.0=50, 4.8/99=9...(12) QG2 ILE 22 + HA LEU 27 OK 44 100 - 44 - ~6423=5, 3.2/6523=5...(22) QD1 LEU 41 - HA LEU 27 OK 32 99 - 33 - 2291=4, 3.1/2266=3...(16) HB2 GLN 42 - HA LEU 27 OK 26 98 - 27 - 1.8/2266=3, 2282/3.0=2...(15) QD1 LEU 117 - HA LEU 27 OK 11 89 - 12 - ~8014=2, ~8011=2, 2291=2...(6) QD1 LEU 55 - HA LEU 27 OK 10 98 - 11 - 103/3.6=1, 2281/3.0=1...(5) QD1 ILE 63 - HA LEU 27 poor 9 92 - 10 - 7153=1 QG2 VAL 115 - HA LEU 27 lone 7 100 - 7 - QG2 VAL 49 - HA LEU 27 lone 6 99 - 6 - ~95=1 QD1 LEU 126 - HA LEU 27 lone 2 87 - 2 - Peak 2268 from cnoeabs.peaks (0.92, 4.54, 52.61 ppm; 3.20 A): 3 out of 11 assignments used, quality = 0.96: * QD2 LEU 27 + HA LEU 27 OK 76 100 - 76 - 4.0=50, 2300/3.0=10...(15) QD1 LEU 27 + HA LEU 27 OK 72 100 - 72 - 4.0=50, 4.8/99=9...(12) QG2 ILE 22 + HA LEU 27 OK 44 100 - 44 - ~6423=5, 3.2/6523=5...(22) QD1 LEU 41 - HA LEU 27 OK 32 98 - 33 - 2291=4, 3.1/2266=3...(16) HB2 GLN 42 - HA LEU 27 OK 27 99 - 27 - 1.8/2266=3, 2282/3.0=2...(15) QD1 LEU 117 - HA LEU 27 OK 11 93 - 12 - ~8014=2, ~8011=2, 2291=2...(6) QD1 LEU 55 - HA LEU 27 OK 10 96 - 11 - 103/3.6=1, 2281/3.0=1...(5) QD1 ILE 63 - HA LEU 27 lone 9 87 - 10 - 7153=1 QG2 VAL 115 - HA LEU 27 lone 7 100 - 7 - QG2 VAL 49 - HA LEU 27 lone 6 100 - 6 - ~95=1 QD1 LEU 126 - HA LEU 27 lone 2 92 - 2 - Peak 2269 from cnoeabs.peaks (6.76, 1.40, 47.11 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 4.0=100 HZ PHE 107 + HB2 LEU 27 OK 47 100 - 47 - 2276/1.8=8, 2283/3.0=6...(13) HE21 GLN 42 - HB2 LEU 27 OK 38 99 - 39 - 2276/1.8=8, 2283/3.0=6...(9) HD22 ASN 99 - HB2 LEU 27 OK 30 100 - 30 - 2262/3.0=6, 2276/1.8=5...(9) Peak 2270 from cnoeabs.peaks (4.54, 1.40, 47.11 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.0=100 HB THR 121 - HB2 LEU 27 OK 43 71 - 61 - ~8086=9, 8082/1.8=9...(21) HA GLU 82 - HB2 LEU 27 OK 24 98 - 25 - 2277/1.8=4, 2298/3.1=4...(9) HA ASN 99 - HB2 LEU 27 OK 21 81 - 26 - 2277/1.8=3, 4619/4.0=3...(12) HA ASN 79 - HB2 LEU 27 OK 19 97 - 20 - 2277/1.8=3, 2298/3.1=3...(8) HA THR 95 - HB2 LEU 27 OK 11 95 - 11 - 2277/1.8=2, 875/4.0=1...(4) HB THR 23 - HB2 LEU 27 OK 10 81 - 13 - ~6453=2, 2298/3.1=2...(8) HA LEU 91 - HB2 LEU 27 poor 8 57 - 14 - 3.9/8482=2, ~8362=2...(4) Peak 2271 from cnoeabs.peaks (1.40, 1.40, 47.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 27 + HB2 LEU 27 OK 100 100 - 100 Peak 2272 from cnoeabs.peaks (1.01, 1.40, 47.11 ppm; 3.21 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 1.8=100 QD1 LEU 58 + HB2 LEU 27 OK 47 100 - 48 - 7062=8, 2300/3.1=4...(25) QD2 LEU 58 - HB2 LEU 27 OK 44 95 - 46 - 2.1/7062=6, 6367=5...(24) QD1 LEU 101 - HB2 LEU 27 OK 24 81 - 30 - 8445=4, 4678/1.8=3...(12) QG1 VAL 120 - HB2 LEU 27 OK 20 73 - 28 - 8047=3, 2.1/8055=2...(15) QD2 LEU 101 - HB2 LEU 27 OK 20 71 - 28 - 2.1/8445=5, 4684/1.8=2...(12) QG1 VAL 18 - HB2 LEU 27 OK 20 78 - 25 - 2300/3.1=3, ~6532=3...(15) HG2 LYS 65 - HB2 LEU 27 lone 2 68 - 3 - HG3 LYS 65 - HB2 LEU 27 lone 2 68 - 3 - Peak 2273 from cnoeabs.peaks (1.65, 1.40, 47.11 ppm; 4.00 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.0=100 HB3 LEU 41 + HB2 LEU 27 OK 64 100 - 64 - 2301/3.1=7, 2280/1.8=7...(33) HB3 GLN 42 + HB2 LEU 27 OK 48 90 - 53 - ~6801=5, 2280/1.8=5...(24) HG LEU 51 - HB2 LEU 27 OK 43 87 - 50 - 2.1/6517=10, ~6518=7...(22) HB ILE 34 - HB2 LEU 27 OK 42 100 - 43 - 2.9/8242=5, 2280/1.8=4...(18) HB2 LEU 59 - HB2 LEU 27 OK 26 63 - 42 - 1.8/3407=6, 3.2/8482=4...(17) HG3 ARG 85 - HB2 LEU 27 OK 16 99 - 16 - 2266/3.0=2, 2280/1.8=2...(6) HB3 LYS 32 - HB2 LEU 27 lone 7 95 - 7 - Peak 2274 from cnoeabs.peaks (0.93, 1.40, 47.11 ppm; 3.42 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.1=100 QD2 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.1=100 QG2 ILE 22 + HB2 LEU 27 OK 61 100 - 61 - 3.2/6431=7, 3.2/8482=5...(28) QD1 LEU 41 + HB2 LEU 27 OK 48 99 - 48 - 2.1/8483=5, 2281/1.8=4...(22) HB2 GLN 42 - HB2 LEU 27 OK 38 98 - 39 - 1.8/2273=4, ~6801=4...(19) QD1 LEU 117 - HB2 LEU 27 OK 22 89 - 25 - 2.1/8014=4, ~6526=3...(10) QD1 LEU 55 - HB2 LEU 27 OK 20 98 - 20 - 2.1/8482=2, 4.0/7011=2...(9) QD1 ILE 63 - HB2 LEU 27 OK 16 92 - 17 - 2.1/8483=2, 7153/3.0=2...(7) QG2 VAL 115 - HB2 LEU 27 OK 14 100 - 14 - 2.1/8482=2, ~8481=1...(4) QG2 VAL 49 - HB2 LEU 27 lone 7 99 - 7 - QD1 LEU 126 - HB2 LEU 27 lone 4 87 - 4 - Peak 2275 from cnoeabs.peaks (0.92, 1.40, 47.11 ppm; 3.42 A): 4 out of 11 assignments used, quality = 1.00: * QD2 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.1=100 QD1 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.1=100 QG2 ILE 22 + HB2 LEU 27 OK 61 100 - 61 - 3.2/6431=7, 3.2/8482=5...(28) QD1 LEU 41 + HB2 LEU 27 OK 47 98 - 48 - 2.1/8483=5, 2281/1.8=4...(22) HB2 GLN 42 - HB2 LEU 27 OK 39 99 - 39 - 1.8/2273=4, ~6801=4...(19) QD1 LEU 117 - HB2 LEU 27 OK 23 93 - 25 - 2.1/8014=4, ~6526=3...(10) QD1 LEU 55 - HB2 LEU 27 OK 19 96 - 20 - 2.1/8482=2, 4.0/7011=2...(9) QD1 ILE 63 - HB2 LEU 27 OK 15 87 - 17 - 2.1/8483=2, 7153/3.0=1...(7) QG2 VAL 115 - HB2 LEU 27 OK 14 100 - 14 - 2.1/8482=2, ~8481=1...(4) QG2 VAL 49 - HB2 LEU 27 lone 7 100 - 7 - QD1 LEU 126 - HB2 LEU 27 lone 4 92 - 5 - Peak 2276 from cnoeabs.peaks (6.76, 1.01, 47.11 ppm; 4.29 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 4.0=100 HE21 GLN 42 + HB3 LEU 27 OK 52 99 - 53 - 3.5/6801=9, 6789=8...(13) HZ PHE 107 + HB3 LEU 27 OK 50 100 - 50 - 2269/1.8=9, 2283/3.0=7...(16) HD22 ASN 99 - HB3 LEU 27 OK 32 100 - 32 - 2262/3.0=6, 2269/1.8=6...(10) Peak 2277 from cnoeabs.peaks (4.54, 1.01, 47.11 ppm; 3.98 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.0=100 HB THR 121 - HB3 LEU 27 OK 42 71 - 59 - 2.1/8086=12, 8082=10...(20) HA GLU 82 - HB3 LEU 27 OK 21 98 - 21 - 2270/1.8=3, 2298/3.1=3...(7) HA ASN 99 - HB3 LEU 27 OK 19 81 - 24 - 2270/1.8=3, 4619/4.0=3...(11) HA ASN 79 - HB3 LEU 27 OK 18 97 - 19 - 2270/1.8=3, 2298/3.1=2...(8) HA THR 95 - HB3 LEU 27 poor 10 95 - 10 - 2270/1.8=2, 875/4.0=1 HB THR 23 - HB3 LEU 27 poor 9 81 - 11 - 2270/1.8=1, 2298/3.1=1...(6) HA LEU 91 - HB3 LEU 27 poor 8 57 - 14 - 3.9/8370=3, 3.9/8373=2...(5) Peak 2278 from cnoeabs.peaks (1.40, 1.01, 47.11 ppm; 3.23 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 1.8=100 QG2 THR 121 - HB3 LEU 27 OK 42 83 - 51 - 8086=11, 2.1/8082=7...(20) HG LEU 59 - HB3 LEU 27 OK 29 100 - 29 - 2285/3.0=3, 2.1/8481=2...(14) HB2 LEU 51 - HB3 LEU 27 OK 25 76 - 33 - 3.1/6518=5, 3.1/6930=4...(15) HB3 LEU 93 - HB3 LEU 27 OK 20 93 - 21 - 2299/3.1=2, 2285/3.0=2...(8) HB2 LEU 111 - HB3 LEU 27 OK 17 99 - 18 - 2299/3.1=2, 876/4.0=2...(7) HB VAL 110 - HB3 LEU 27 OK 15 100 - 15 - 2.1/7873=2, 2.1/7872=2...(7) QB ALA 122 - HB3 LEU 27 OK 11 90 - 12 - 2.9/8096=3, ~627=1...(4) QB ALA 98 - HB3 LEU 27 lone 6 68 - 9 - 4.5/2277=1 HG2 LYS 31 - HB3 LEU 27 lone 5 68 - 7 - Peak 2279 from cnoeabs.peaks (1.01, 1.01, 47.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 27 + HB3 LEU 27 OK 100 100 - 100 Peak 2280 from cnoeabs.peaks (1.65, 1.01, 47.11 ppm; 4.20 A): 5 out of 8 assignments used, quality = 1.00: * HG LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.0=100 HB3 LEU 41 + HB3 LEU 27 OK 69 100 - 69 - 2301/3.1=8, 2273/1.8=8...(34) HB3 GLN 42 + HB3 LEU 27 OK 55 90 - 61 - 3.0/6801=9, 2273/1.8=6...(25) HG LEU 51 + HB3 LEU 27 OK 47 87 - 54 - 2.1/6518=11, 2.1/6930=9...(20) HB ILE 34 + HB3 LEU 27 OK 46 100 - 47 - 2.9/8241=6, 2273/1.8=5...(18) HB2 LEU 59 - HB3 LEU 27 OK 26 63 - 42 - ~3407=4, 3.0/2278=4...(19) HG3 ARG 85 - HB3 LEU 27 OK 18 99 - 18 - 2266/3.0=2, 2273/1.8=2...(6) HB3 LYS 32 - HB3 LEU 27 lone 7 95 - 8 - Peak 2281 from cnoeabs.peaks (0.93, 1.01, 47.11 ppm; 3.40 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.1=100 QD2 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.1=100 QG2 ILE 22 + HB3 LEU 27 OK 60 100 - 60 - 3.2/8477=7, 2274/1.8=5...(28) QD1 LEU 41 + HB3 LEU 27 OK 48 99 - 48 - 2.1/8484=5, 2274/1.8=4...(22) HB2 GLN 42 - HB3 LEU 27 OK 41 98 - 42 - 3.0/6801=6, 1.8/2280=4...(20) QD1 LEU 117 - HB3 LEU 27 OK 23 89 - 26 - 2.1/8011=3, ~6526=3...(10) QD1 LEU 55 - HB3 LEU 27 OK 21 98 - 21 - 4.0/8292=3, 2.1/8481=2...(9) QD1 ILE 63 - HB3 LEU 27 OK 16 92 - 17 - 2.1/8484=2, 7153/3.0=2...(7) QG2 VAL 115 - HB3 LEU 27 OK 14 100 - 14 - 2.1/8481=1, ~8482=1...(4) QG2 VAL 49 - HB3 LEU 27 lone 7 99 - 7 - QD1 LEU 126 - HB3 LEU 27 lone 3 87 - 4 - Peak 2282 from cnoeabs.peaks (0.92, 1.01, 47.11 ppm; 3.40 A): 4 out of 11 assignments used, quality = 1.00: * QD2 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.1=100 QD1 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.1=100 QG2 ILE 22 + HB3 LEU 27 OK 60 100 - 60 - 3.2/8477=7, 2275/1.8=5...(28) QD1 LEU 41 + HB3 LEU 27 OK 47 98 - 48 - 2.1/8484=5, 2274/1.8=4...(22) HB2 GLN 42 - HB3 LEU 27 OK 41 99 - 42 - 3.0/6801=6, 1.8/2280=4...(20) QD1 LEU 117 - HB3 LEU 27 OK 24 93 - 26 - 2.1/8011=3, ~6526=3...(10) QD1 LEU 55 - HB3 LEU 27 OK 20 96 - 21 - 4.0/8292=3, 2.1/8481=2...(8) QD1 ILE 63 - HB3 LEU 27 OK 15 87 - 17 - 2.1/8484=2, 7153/3.0=1...(7) QG2 VAL 115 - HB3 LEU 27 OK 14 100 - 14 - 2.1/8481=1, ~8482=1...(4) QG2 VAL 49 - HB3 LEU 27 lone 7 100 - 7 - QD1 LEU 126 - HB3 LEU 27 lone 4 92 - 4 - Peak 2283 from cnoeabs.peaks (6.76, 1.65, 26.55 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.99: * H LEU 27 + HG LEU 27 OK 93 100 - 93 - 5.3=74, 876/3.0=20...(12) HZ PHE 107 + HG LEU 27 OK 58 100 - 58 - 2297/2.1=9, 2269/3.0=8...(15) HE21 GLN 42 + HG LEU 27 OK 51 99 - 52 - 2297/2.1=8, 2276/3.0=8...(12) HD22 ASN 99 - HG LEU 27 OK 29 100 - 29 - 2269/3.0=5, 2262/4.3=5...(7) Peak 2284 from cnoeabs.peaks (4.54, 1.65, 26.55 ppm; 4.63 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 27 + HG LEU 27 OK 100 100 - 100 - 4.3=100 HB THR 121 - HG LEU 27 OK 40 71 - 57 - ~8084=10, 8082/3.0=8...(14) HA GLU 82 - HG LEU 27 OK 24 98 - 24 - 2298/2.1=5, 2291/2.1=4...(6) HA ASN 79 - HG LEU 27 OK 19 97 - 19 - 2298/2.1=4, 2277/3.0=3...(6) HA ASN 99 - HG LEU 27 OK 18 81 - 23 - 2277/3.0=3, 2270/3.0=3...(8) HB THR 23 - HG LEU 27 poor 10 81 - 12 - ~6453=3, 2298/2.1=2...(5) HA THR 95 - HG LEU 27 lone 9 95 - 10 - 2277/3.0=2, 2298/2.1=2...(5) HA LEU 91 - HG LEU 27 poor 7 57 - 11 - 3.9/8619=2, ~8362=2...(5) Peak 2285 from cnoeabs.peaks (1.40, 1.65, 26.55 ppm; 3.83 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 27 + HG LEU 27 OK 100 100 - 100 - 3.0=100 QG2 THR 121 - HG LEU 27 OK 43 83 - 52 - 8084/2.1=10, 8084/2.1=10...(16) HG LEU 59 - HG LEU 27 OK 36 100 - 36 - 2.1/8619=6, 2299/2.1=4...(14) HB2 LEU 51 - HG LEU 27 OK 29 76 - 38 - ~6517=3, ~6518=3...(22) HB3 LEU 93 - HG LEU 27 OK 22 93 - 24 - 2299/2.1=3, 3.1/8619=3...(9) HB2 LEU 111 - HG LEU 27 OK 21 99 - 21 - 2299/2.1=3, 7914/2.1=3...(8) HB VAL 110 - HG LEU 27 OK 15 100 - 15 - 2299/2.1=2, 2278/3.0=2...(8) QB ALA 122 - HG LEU 27 OK 10 90 - 11 - ~8096=2, 2299/2.1=2...(5) QB ALA 98 - HG LEU 27 lone 6 68 - 9 - 4.5/2284=1 HG2 LYS 31 - HG LEU 27 lone 5 68 - 7 - Peak 2286 from cnoeabs.peaks (1.01, 1.65, 26.55 ppm; 3.82 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 27 + HG LEU 27 OK 100 100 - 100 - 3.0=100 QD1 LEU 58 + HG LEU 27 OK 49 100 - 49 - 2300/2.1=7, 7062/3.0=7...(18) QD2 LEU 58 - HG LEU 27 OK 44 95 - 47 - 2300/2.1=6, 2272/3.0=5...(17) QG1 VAL 18 - HG LEU 27 OK 29 78 - 37 - ~6532=6, 2300/2.1=5...(13) QD1 LEU 101 - HG LEU 27 OK 26 81 - 32 - 8445/3.0=4, 2300/2.1=3...(13) QD2 LEU 101 - HG LEU 27 OK 21 71 - 29 - ~8445=3, 2300/2.1=3...(14) QG1 VAL 120 - HG LEU 27 OK 17 73 - 24 - ~6526=4, 2300/2.1=3...(11) HG2 LYS 65 - HG LEU 27 lone 2 68 - 3 - HG3 LYS 65 - HG LEU 27 lone 2 68 - 3 - Peak 2287 from cnoeabs.peaks (1.65, 1.65, 26.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 27 + HG LEU 27 OK 100 100 - 100 Peak 2288 from cnoeabs.peaks (0.93, 1.65, 26.55 ppm; 2.95 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 27 + HG LEU 27 OK 100 100 - 100 - 2.1=100 QD2 LEU 27 + HG LEU 27 OK 100 100 - 100 - 2.1=100 QG2 ILE 22 - HG LEU 27 OK 44 100 - 44 - 3.2/8619=5, 3.2/8485=3...(27) QD1 LEU 41 - HG LEU 27 OK 43 99 - 43 - 2.1/2808=5, 2815=5...(21) HB2 GLN 42 - HG LEU 27 OK 32 98 - 33 - 2830=5, 3.0/2854=2...(18) QD1 LEU 117 - HG LEU 27 OK 15 89 - 17 - ~6526=3, ~5170=1...(7) QD1 LEU 55 - HG LEU 27 OK 12 98 - 13 - 2.1/8619=2 QD1 ILE 63 - HG LEU 27 OK 11 92 - 12 - ~6524=1, 2.1/8485=1, ~3532=1 QG2 VAL 115 - HG LEU 27 lone 9 100 - 9 - 2.1/8619=2 QG2 VAL 49 - HG LEU 27 lone 5 99 - 5 - QD1 LEU 126 - HG LEU 27 lone 2 87 - 2 - Peak 2289 from cnoeabs.peaks (0.92, 1.65, 26.55 ppm; 2.95 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 27 + HG LEU 27 OK 100 100 - 100 - 2.1=100 QD1 LEU 27 + HG LEU 27 OK 100 100 - 100 - 2.1=100 QG2 ILE 22 - HG LEU 27 OK 44 100 - 44 - 3.2/8619=5, 3.2/8485=3...(27) QD1 LEU 41 - HG LEU 27 OK 42 98 - 43 - 2.1/2808=5, 2815=5...(21) HB2 GLN 42 - HG LEU 27 OK 33 99 - 33 - 2830=5, 3.0/2854=2...(18) QD1 LEU 117 - HG LEU 27 OK 16 93 - 17 - ~6526=3, ~5170=1...(7) QD1 LEU 55 - HG LEU 27 OK 12 96 - 13 - 2.1/8619=2 QD1 ILE 63 - HG LEU 27 OK 11 87 - 12 - ~6524=1, 2.1/8485=1, ~3532=1 QG2 VAL 115 - HG LEU 27 lone 9 100 - 9 - 2.1/8619=2 QG2 VAL 49 - HG LEU 27 lone 5 100 - 5 - QD1 LEU 126 - HG LEU 27 lone 2 92 - 2 - Peak 2290 from cnoeabs.peaks (6.76, 0.93, 24.23 ppm; 3.77 A): 3 out of 12 assignments used, quality = 0.96: * H LEU 27 + QD1 LEU 27 OK 87 100 - 87 - 4.4=62, 876/3.1=14...(16) HZ PHE 107 + QD1 LEU 41 OK 55 70 - 79 - 4774/2.1=19, 4778/2.1=13...(19) HZ PHE 107 + QD1 LEU 27 OK 41 100 - 41 - 2283/2.1=6, 2297/2.1=6...(12) HE21 GLN 42 - QD1 LEU 27 OK 39 99 - 39 - 2276/3.1=5, 2297/2.1=5...(13) H LEU 27 - QD1 LEU 41 OK 30 70 - 43 - 6764/2.1=7, 879=6...(13) HE21 GLN 42 - QD1 LEU 41 OK 30 67 - 44 - 6764/2.1=6, 740/3.1=6...(14) HD22 ASN 99 - QD1 LEU 27 OK 21 100 - 21 - 2262/4.0=4, 2269/3.1=3...(6) HD22 ASN 99 - QD1 LEU 41 poor 8 69 - 12 - 6764/2.1=2, 6763/3.1=2...(5) H LEU 27 - QD1 LEU 117 poor 8 62 - 13 - 880=2, 4.0/2282=1...(5) HZ PHE 107 - QD1 LEU 117 poor 7 61 - 11 - ~4789=2, ~7817=1...(6) HE21 GLN 42 - QD1 LEU 117 lone 5 60 - 9 - 739/2.1=1, 3.5/2853=1 HD22 ASN 99 - QD1 LEU 117 lone 1 61 - 2 - Peak 2291 from cnoeabs.peaks (4.54, 0.93, 24.23 ppm; 3.35 A): 6 out of 24 assignments used, quality = 0.94: * HA LEU 27 + QD1 LEU 27 OK 80 100 - 80 - 4.0=57, 99/4.8=10...(13) HB THR 121 + QD1 LEU 27 OK 32 71 - 45 - 2.1/8084=10, ~8084=5...(18) HA LEU 27 + QD1 LEU 41 OK 25 70 - 36 - 2267=5, 2266/3.1=3...(16) HA GLU 82 + QD1 LEU 27 OK 20 98 - 20 - 2298/2.1=3, 2284/2.1=2...(11) HA ASN 79 + QD1 LEU 27 OK 15 97 - 15 - 2298/2.1=2, 2277/3.1=2...(8) HA ASN 99 + QD1 LEU 27 OK 11 81 - 13 - 4619/4.4=2, 2277/3.1=2...(6) HB THR 121 - QD1 LEU 117 poor 10 37 - 26 - 2.1/8084=8, ~8087=5...(7) HB THR 23 - QD1 LEU 27 poor 9 81 - 11 - 3.0/6453=2, 4.0/75=2...(4) HA LEU 27 - QD1 LEU 117 poor 8 62 - 14 - 2268=2, ~8014=2, ~8011=2...(6) HA THR 95 - QD1 LEU 27 lone 6 95 - 6 - HA GLU 82 - QD1 LEU 41 lone 5 66 - 7 - 3.6/7465=1 HA LEU 91 - QD1 LEU 117 poor 4 29 - 15 - ~8365=2, ~5910=2...(7) HA ASN 79 - QD1 LEU 41 lone 3 64 - 5 - HA LEU 91 - QD1 LEU 27 lone 3 57 - 5 - HB THR 121 - QD1 LEU 41 lone 2 42 - 5 - 2.1/8084=1 HA ASN 79 - QD1 LEU 117 lone 2 56 - 3 - HA ASN 99 - QD1 LEU 41 lone 2 49 - 4 - HB THR 23 - QD1 LEU 41 lone 1 49 - 3 - HA GLU 82 - QD1 LEU 117 lone 1 58 - 2 - HA THR 95 - QD1 LEU 41 lone 1 61 - 2 - HA THR 95 - QD1 LEU 117 lone 1 54 - 1 - HA ASN 99 - QD1 LEU 117 lone 1 43 - 1 - HB THR 23 - QD1 LEU 117 lone 1 43 - 1 - HA LEU 91 - QD1 LEU 41 lone 0 33 - 1 - Peak 2292 from cnoeabs.peaks (1.40, 0.93, 24.23 ppm; 3.39 A): 1 out of 30 assignments used, quality = 1.00: * HB2 LEU 27 + QD1 LEU 27 OK 100 100 - 100 - 3.1=100 QG2 THR 121 - QD1 LEU 27 OK 44 83 - 53 - 8084=11, 8084/2.1=9...(20) HB2 LEU 27 - QD1 LEU 41 OK 34 70 - 48 - 2274=5, 8483/2.1=5...(22) HG LEU 59 - QD1 LEU 27 OK 30 100 - 30 - 2285/2.1=3, 2299/2.1=3...(13) HB2 LEU 51 - QD1 LEU 27 OK 22 76 - 29 - 2285/2.1=3, 2299/2.1=3...(15) HB2 LEU 111 - QD1 LEU 27 OK 22 99 - 22 - 2299/2.1=3, 7914=2...(8) HB3 LEU 93 - QD1 LEU 27 OK 20 93 - 22 - 2299/2.1=2, 2285/2.1=2...(5) QG2 THR 121 - QD1 LEU 117 OK 17 45 - 38 - 8087/2.1=9, 8084=8...(9) HB2 LEU 111 - QD1 LEU 41 OK 17 67 - 25 - ~8266=4, ~6751=3...(11) HB2 LEU 27 - QD1 LEU 117 OK 15 62 - 25 - ~6526=3, 8014/2.1=3...(10) HG LEU 59 - QD1 LEU 117 OK 15 61 - 25 - 8014/2.1=3, ~7084=3...(8) HB VAL 110 - QD1 LEU 27 OK 13 100 - 13 - 2299/2.1=2, 2278/3.1=1 HB3 LEU 93 - QD1 LEU 117 OK 12 53 - 24 - 8014/2.1=4, ~8378=4...(10) QB ALA 122 - QD1 LEU 27 OK 11 90 - 12 - 3.6/8099=3, ~8096=2...(4) HB2 LEU 111 - QD1 LEU 117 poor 9 60 - 15 - 8014/2.1=2, 8006/3.8=2...(5) HG LEU 59 - QD1 LEU 41 lone 7 69 - 9 - 3416/2.1=2 QB ALA 98 - QD1 LEU 27 lone 6 68 - 8 - HB3 LEU 93 - QD1 LEU 41 lone 5 60 - 8 - 5803/4.3=1 HG2 LYS 31 - QD1 LEU 27 lone 5 68 - 7 - HB2 LEU 51 - QD1 LEU 41 lone 4 46 - 9 - ~6752=1, 4.6/6945=1 QB ALA 122 - QD1 LEU 117 lone 3 50 - 7 - ~8097=2, 8094/4.6=1, 3.6/8099=1 QG2 THR 121 - QD1 LEU 41 lone 3 51 - 6 - 8084=1 HB VAL 110 - QD1 LEU 117 lone 3 61 - 5 - 6195/3.8=2, 8014/2.1=1 HB VAL 110 - QD1 LEU 41 lone 3 70 - 4 - HB2 LEU 51 - QD1 LEU 117 lone 2 40 - 5 - ~6931=2, ~6054=2 QB ALA 122 - QD1 LEU 41 lone 1 57 - 2 - HG2 LYS 31 - QD1 LEU 117 lone 1 35 - 2 - QB ALA 98 - QD1 LEU 41 lone 1 40 - 2 - HG2 LYS 31 - QD1 LEU 41 lone 1 40 - 2 - QB ALA 98 - QD1 LEU 117 lone 0 35 - 1 - Peak 2293 from cnoeabs.peaks (1.01, 0.93, 24.23 ppm; 2.70 A): 5 out of 27 assignments used, quality = 0.92: * HB3 LEU 27 + QD1 LEU 27 OK 75 100 - 75 - 3.1=64, 2300/2.1=10...(9) QD1 LEU 58 + QD1 LEU 27 OK 29 100 - 29 - 2300/2.1=4, 7062/3.1=3...(12) QD2 LEU 58 + QD1 LEU 27 OK 27 95 - 28 - 2300/2.1=4, 6366=3...(12) HB3 LEU 27 + QD1 LEU 41 OK 21 70 - 31 - 2281=3, 1.8/2274=2...(13) QG1 VAL 18 + QD1 LEU 27 OK 20 78 - 25 - 2.1/8397=4, 2300/2.1=3...(10) QG1 VAL 18 - QD1 LEU 41 OK 19 48 - 40 - 2.1/8397=5, ~8266=4...(17) QD1 LEU 101 - QD1 LEU 27 OK 14 81 - 18 - 8445/3.1=2, 2300/2.1=2...(5) QD2 LEU 101 - QD1 LEU 27 OK 11 71 - 16 - 2300/2.1=2, ~8445=1...(4) QG1 VAL 120 - QD1 LEU 27 OK 10 73 - 14 - ~6526=2, 3.9/8075=2...(4) QG1 VAL 120 - QD1 LEU 117 poor 10 38 - 26 - 5294/2.1=4, 8534/3.8=4...(12) HB3 LEU 27 - QD1 LEU 117 poor 10 62 - 16 - 8011/2.1=2, ~6526=2...(6) QD1 LEU 58 - QD1 LEU 117 poor 8 61 - 12 - 8534/3.8=2, 7061/2.1=2...(6) QD2 LEU 58 - QD1 LEU 117 poor 6 54 - 11 - 8534/3.8=2, 6366=1...(6) QD1 LEU 101 - QD1 LEU 41 lone 4 49 - 7 - QD2 LEU 58 - QD1 LEU 41 lone 3 61 - 4 - QD1 LEU 58 - QD1 LEU 41 lone 2 69 - 3 - QG1 VAL 18 - QD1 LEU 117 lone 2 41 - 5 - QD2 LEU 101 - QD1 LEU 41 lone 2 42 - 4 - HG2 LYS 65 - QD1 LEU 27 lone 2 68 - 2 - HG3 LYS 65 - QD1 LEU 27 lone 2 68 - 2 - QD1 LEU 101 - QD1 LEU 117 lone 1 43 - 3 - QD2 LEU 101 - QD1 LEU 117 lone 1 37 - 3 - QG1 VAL 120 - QD1 LEU 41 lone 1 44 - 2 - HG2 LYS 65 - QD1 LEU 41 lone 1 40 - 1 - HG3 LYS 65 - QD1 LEU 41 lone 1 40 - 1 - HG3 LYS 65 - QD1 LEU 117 lone 0 35 - 1 - HG2 LYS 65 - QD1 LEU 117 lone 0 35 - 1 - Peak 2294 from cnoeabs.peaks (1.65, 0.93, 24.23 ppm; 2.91 A): 3 out of 24 assignments used, quality = 1.00: * HG LEU 27 + QD1 LEU 27 OK 100 100 - 100 - 2.1=100 HB3 LEU 41 + QD1 LEU 41 OK 59 69 - 86 - 3.1=80, ~2806=5...(7) HB3 LEU 41 + QD1 LEU 27 OK 45 100 - 45 - 2301/2.1=5, 2797=3...(24) HB3 GLN 42 - QD1 LEU 27 OK 34 90 - 37 - 2837=4, 2301/2.1=4...(21) HB ILE 34 - QD1 LEU 27 OK 27 100 - 28 - 3.2/6530=4, 2.9/6531=3...(14) HG LEU 27 - QD1 LEU 41 OK 27 70 - 39 - 2288=6, 8485/2.1=4...(18) HB3 GLN 42 - QD1 LEU 41 OK 27 57 - 47 - 2837=5, 2835/4.9=5...(23) HG LEU 51 - QD1 LEU 27 OK 20 87 - 23 - 2301/2.1=2, ~6517=2...(10) HB2 LEU 59 - QD1 LEU 27 OK 11 63 - 18 - 3.0/2292=1, ~8619=1...(7) HG LEU 27 - QD1 LEU 117 OK 11 62 - 17 - ~6526=3, 2289=2, ~5170=1...(7) HG3 ARG 85 - QD1 LEU 27 lone 9 99 - 9 - 2301/2.1=1 HB ILE 34 - QD1 LEU 41 poor 7 69 - 10 - 2801/2.1=1 HG3 ARG 85 - QD1 LEU 41 lone 6 67 - 8 - 945/4.3=1 HB3 GLN 42 - QD1 LEU 117 poor 5 50 - 10 - 2837=1 HG LEU 51 - QD1 LEU 41 lone 5 54 - 9 - HB3 LYS 32 - QD1 LEU 41 lone 4 61 - 7 - HB3 LYS 32 - QD1 LEU 27 lone 4 95 - 4 - HB2 LEU 59 - QD1 LEU 117 poor 4 32 - 11 - ~7084=1, ~8014=1, ~8554=1 HB ILE 34 - QD1 LEU 117 lone 3 61 - 5 - HB3 LEU 41 - QD1 LEU 117 lone 2 61 - 4 - HB2 LEU 59 - QD1 LEU 41 lone 2 37 - 6 - HB3 LYS 32 - QD1 LEU 117 lone 2 54 - 3 - HG LEU 51 - QD1 LEU 117 lone 1 47 - 3 - ~6931=2 HG3 ARG 85 - QD1 LEU 117 lone 0 60 - 1 - Peak 2295 from cnoeabs.peaks (0.93, 0.93, 24.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 27 + QD1 LEU 27 OK 100 100 - 100 QD1 LEU 41 + QD1 LEU 41 OK 68 68 - 100 QD1 LEU 117 + QD1 LEU 117 OK 49 49 - 100 Peak 2296 from cnoeabs.peaks (0.92, 0.93, 24.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 27 + QD1 LEU 27 OK 100 100 - 100 QD1 LEU 41 + QD1 LEU 41 OK 66 66 - 100 QD1 LEU 117 + QD1 LEU 117 OK 53 53 - 100 Reference assignment not found: QD2 LEU 27 - QD1 LEU 27 Peak 2297 from cnoeabs.peaks (6.76, 0.92, 25.98 ppm; 4.79 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 4.4=100 HZ PHE 107 + QD2 LEU 27 OK 62 100 - 62 - 2283/2.1=9, 2269/3.1=8...(21) HE21 GLN 42 + QD2 LEU 27 OK 57 99 - 57 - 2283/2.1=8, 2276/3.1=8...(13) HD22 ASN 99 - QD2 LEU 27 OK 33 100 - 33 - 2262/4.0=6, 2269/3.1=5...(8) Peak 2298 from cnoeabs.peaks (4.54, 0.92, 25.98 ppm; 4.48 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 4.0=100 HB THR 121 + QD2 LEU 27 OK 46 71 - 66 - 2.1/8084=14, ~8084=9...(18) HA GLU 82 - QD2 LEU 27 OK 33 98 - 34 - 2291/2.1=4, 2284/2.1=4...(13) HA ASN 79 - QD2 LEU 27 OK 26 97 - 27 - 2284/2.1=3, 2291/2.1=3...(11) HA ASN 99 - QD2 LEU 27 OK 20 81 - 25 - 4619/4.4=3, 2277/3.1=3...(8) HB THR 23 - QD2 LEU 27 OK 15 81 - 19 - 3.0/6453=4, 4.0/75=4...(8) HA THR 95 - QD2 LEU 27 OK 11 95 - 11 - 2277/3.1=2, 2270/3.1=1...(5) HA LEU 91 - QD2 LEU 27 poor 6 57 - 11 - ~8362=1, ~8364=1...(5) Peak 2299 from cnoeabs.peaks (1.40, 0.92, 25.98 ppm; 3.77 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 3.1=100 QG2 THR 121 + QD2 LEU 27 OK 51 83 - 61 - 8084=11, 8084/2.1=10...(21) HG LEU 59 - QD2 LEU 27 OK 36 100 - 36 - 2285/2.1=4, 2278/3.1=3...(16) HB2 LEU 111 - QD2 LEU 27 OK 28 99 - 29 - 7914=3, 7914/2.1=3...(11) HB2 LEU 51 - QD2 LEU 27 OK 27 76 - 36 - 2285/2.1=3, ~6517=3...(21) HB3 LEU 93 - QD2 LEU 27 OK 26 93 - 28 - 3.8/6533=3, 2285/2.1=3...(10) HB VAL 110 - QD2 LEU 27 OK 17 100 - 17 - 2278/3.1=2, 2285/2.1=2...(9) QB ALA 122 - QD2 LEU 27 OK 14 90 - 16 - 3.6/8099=4, ~8096=2...(6) QB ALA 98 - QD2 LEU 27 poor 7 68 - 11 - 4.5/2298=1 HG2 LYS 31 - QD2 LEU 27 lone 6 68 - 9 - 2425/4.8=1 Peak 2300 from cnoeabs.peaks (1.01, 0.92, 25.98 ppm; 2.95 A): 3 out of 9 assignments used, quality = 0.96: * HB3 LEU 27 + QD2 LEU 27 OK 91 100 - 91 - 3.1=85, 2293/2.1=9...(11) QD1 LEU 58 + QD2 LEU 27 OK 36 100 - 36 - 7062/3.1=4, 2293/2.1=4...(15) QD2 LEU 58 + QD2 LEU 27 OK 34 95 - 36 - 6366=4, 2293/2.1=3...(13) QG1 VAL 18 - QD2 LEU 27 OK 26 78 - 33 - 3.2/6532=7, 2.1/8397=5...(11) QD1 LEU 101 - QD2 LEU 27 OK 18 81 - 22 - 8445/3.1=2, 2286/2.1=2...(6) QG1 VAL 120 - QD2 LEU 27 OK 14 73 - 20 - 2.1/6526=4, 3.9/8075=2...(6) QD2 LEU 101 - QD2 LEU 27 OK 14 71 - 20 - ~8445=2, 2272/3.1=1...(8) HG2 LYS 65 - QD2 LEU 27 lone 2 68 - 3 - HG3 LYS 65 - QD2 LEU 27 lone 2 68 - 3 - Peak 2301 from cnoeabs.peaks (1.65, 0.92, 25.98 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 2.1=100 HB3 LEU 41 + QD2 LEU 27 OK 59 100 - 59 - 3.0/6524=6, 2797=5...(32) HB3 GLN 42 - QD2 LEU 27 OK 42 90 - 46 - 2837=4, 3.0/2853=3...(28) HB ILE 34 - QD2 LEU 27 OK 33 100 - 33 - 2.9/6528=5, ~6530=3...(16) HG LEU 51 - QD2 LEU 27 OK 26 87 - 30 - ~6517=3, ~6518=3...(14) HB2 LEU 59 - QD2 LEU 27 OK 14 63 - 23 - 3.0/2299=2, ~8619=2...(9) HG3 ARG 85 - QD2 LEU 27 OK 11 99 - 12 - 2266/4.0=1 HB3 LYS 32 - QD2 LEU 27 lone 5 95 - 5 - Peak 2302 from cnoeabs.peaks (0.93, 0.92, 25.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 27 + QD2 LEU 27 OK 100 100 - 100 Reference assignment not found: QD1 LEU 27 - QD2 LEU 27 Peak 2303 from cnoeabs.peaks (0.92, 0.92, 25.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 27 + QD2 LEU 27 OK 100 100 - 100 Peak 2304 from cnoeabs.peaks (8.50, 4.16, 55.73 ppm; 3.63 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 H LEU 84 - HA GLU 28 OK 27 100 - 27 - 2310/3.0=4, 2316/3.0=4...(12) H PHE 40 - HA GLU 28 OK 19 97 - 20 - 1581=4, 105/3.6=2...(8) H GLU 38 - HA GLU 28 OK 13 78 - 16 - 3.9/2308=2, 3.9/2671=2...(7) H LYS 31 - HA GLU 28 OK 10 100 - 10 - 2316/3.0=2, 2310/3.0=2 H LEU 77 - HA GLU 28 lone 9 97 - 10 - 2310/3.0=1, ~3990=1...(4) H TYR 102 - HA GLU 28 lone 5 83 - 6 - H SER 13 - HA GLU 28 lone 4 100 - 4 - H GLY 2 - HA GLU 28 lone 2 97 - 2 - Peak 2305 from cnoeabs.peaks (4.16, 4.16, 55.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HA GLU 28 OK 100 100 - 100 Peak 2306 from cnoeabs.peaks (1.90, 4.16, 55.73 ppm; 2.98 A): 1 out of 15 assignments used, quality = 0.98: * HB2 GLU 28 + HA GLU 28 OK 98 100 - 98 - 3.0=97, 5506/3.6=13...(17) HB ILE 22 - HA GLU 28 OK 35 100 - 35 - 3.2/6563=7, 107/3.6=5...(12) HB2 LEU 84 - HA GLU 28 OK 18 100 - 19 - 883/3.0=2, 4.0/2304=2...(6) HG LEU 84 - HA GLU 28 OK 14 90 - 16 - 4253/3.0=2, 2.1/7488=2...(6) HB2 ARG 81 - HA GLU 28 OK 10 100 - 10 - 6114=3 HB VAL 50 - HA GLU 28 poor 10 85 - 12 - ~6543=4, ~6542=3...(4) HG LEU 55 - HA GLU 28 poor 10 83 - 12 - 2.1/7017=2, 2.1/6562=2...(4) HB ILE 80 - HA GLU 28 lone 7 87 - 8 - 883/3.0=1 HB3 LYS 31 - HA GLU 28 lone 7 85 - 8 - 2415/3.0=1 HB3 GLU 73 - HA GLU 28 lone 6 99 - 6 - 6114=1 HG LEU 58 - HA GLU 28 lone 3 63 - 5 - ~101=1 HB2 LYS 119 - HA GLU 28 lone 3 85 - 3 - HB2 LEU 21 - HA GLU 28 lone 3 78 - 3 - HB2 ARG 92 - HA GLU 28 lone 2 63 - 4 - HB3 MET 11 - HA GLU 28 lone 1 96 - 1 - Peak 2307 from cnoeabs.peaks (1.87, 4.16, 55.73 ppm; 3.02 A): 1 out of 12 assignments used, quality = 1.00: * HB3 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 HG12 ILE 22 - HA GLU 28 OK 26 81 - 33 - 2.1/6563=8, 108/3.6=5...(10) HG3 PRO 68 - HA GLU 28 OK 23 100 - 23 - 2313/3.0=3, 2.3/2309=2...(12) HG LEU 84 - HA GLU 28 OK 14 87 - 16 - 4253/3.0=2, 2.1/7488=2...(6) HG LEU 55 - HA GLU 28 OK 12 93 - 13 - 2.1/7017=2, 2.1/6562=2...(4) HB VAL 50 - HA GLU 28 OK 12 92 - 13 - ~6543=4, ~6542=3...(4) HB3 LYS 31 - HA GLU 28 lone 8 92 - 9 - 884/3.0=2 HB2 LEU 58 - HA GLU 28 lone 7 100 - 7 - 884/3.0=1 HB2 ARG 92 - HA GLU 28 lone 5 99 - 5 - HB2 LYS 119 - HA GLU 28 lone 4 92 - 4 - HB3 LYS 109 - HA GLU 28 lone 3 100 - 3 - HG3 GLU 73 - HA GLU 28 lone 2 60 - 3 - Peak 2308 from cnoeabs.peaks (2.23, 4.16, 55.73 ppm; 3.38 A): 2 out of 13 assignments used, quality = 0.98: * HG2 GLU 28 + HA GLU 28 OK 87 100 - 87 - 4.0=60, 3.0/2306=13...(20) HG3 GLU 28 + HA GLU 28 OK 87 100 - 87 - 4.0=60, 3.0/2306=13...(20) HB3 PRO 37 - HA GLU 28 OK 29 92 - 32 - 2678=3, 885/3.0=3...(20) HB2 PRO 68 - HA GLU 28 OK 28 100 - 28 - 3735/3.0=4, 2.3/2307=4...(13) HG2 PRO 37 - HA GLU 28 OK 15 63 - 25 - 2.3/2650=2, 2.3/2678=2...(13) HB3 LEU 117 - HA GLU 28 OK 11 100 - 11 - ~6543=2, 886/3.0=2, 3.1/6562=1 HG2 GLU 38 - HA GLU 28 OK 10 97 - 10 - 886/3.0=1 HG3 GLU 38 - HA GLU 28 OK 10 97 - 10 - 886/3.0=1 HG2 GLU 56 - HA GLU 28 lone 8 90 - 8 - 1.8/3286=1, 3280=1 HB2 PRO 70 - HA GLU 28 lone 3 93 - 4 - HG3 GLU 64 - HA GLU 28 lone 3 99 - 3 - HG2 GLU 94 - HA GLU 28 lone 2 98 - 2 - HG3 GLU 15 - HA GLU 28 lone 1 81 - 1 - Peak 2309 from cnoeabs.peaks (2.23, 4.16, 55.73 ppm; 3.38 A): 2 out of 13 assignments used, quality = 0.98: * HG3 GLU 28 + HA GLU 28 OK 87 100 - 87 - 4.0=60, 3.0/2306=13...(20) HG2 GLU 28 + HA GLU 28 OK 87 100 - 87 - 4.0=60, 3.0/2306=13...(20) HB3 PRO 37 - HA GLU 28 OK 28 89 - 32 - 2678=3, 885/3.0=3...(20) HB2 PRO 68 - HA GLU 28 OK 28 100 - 28 - 3735/3.0=4, 2.3/2307=4...(13) HG2 PRO 37 - HA GLU 28 OK 14 57 - 24 - 2.3/2650=2, 2.3/2678=2...(13) HB3 LEU 117 - HA GLU 28 OK 11 100 - 11 - ~6543=2, 886/3.0=2, 3.1/6562=1 HG2 GLU 38 - HA GLU 28 OK 10 99 - 10 - 886/3.0=1 HG3 GLU 38 - HA GLU 28 OK 10 98 - 10 - 886/3.0=1 HG2 GLU 56 - HA GLU 28 lone 8 93 - 8 - 1.8/3286=1, 3280=1 HB2 PRO 70 - HA GLU 28 lone 4 96 - 4 - HG3 GLU 64 - HA GLU 28 lone 3 100 - 3 - HG2 GLU 94 - HA GLU 28 lone 2 99 - 2 - HG3 GLU 15 - HA GLU 28 lone 1 85 - 1 - Peak 2310 from cnoeabs.peaks (8.50, 1.90, 30.21 ppm; 3.24 A): 2 out of 9 assignments used, quality = 0.87: * H GLU 28 + HB2 GLU 28 OK 83 100 - 83 - 3.8=64, 884/1.8=16...(15) H LEU 84 + HB2 GLU 28 OK 21 100 - 21 - 1185=4, 2304/3.0=3...(8) H LYS 31 - HB2 GLU 28 lone 10 100 - 10 - 894/1.8=1, 2304/3.0=1, 894=1 H PHE 40 - HB2 GLU 28 lone 8 97 - 9 - 2304/3.0=2, 105/4.2=2 H LEU 77 - HB2 GLU 28 lone 7 97 - 7 - 2304/3.0=1 H GLU 38 - HB2 GLU 28 lone 7 78 - 8 - 3.6/2311=2, 2304/3.0=1 H SER 13 - HB2 GLU 28 lone 3 100 - 3 - H TYR 102 - HB2 GLU 28 lone 2 83 - 3 - H GLY 2 - HB2 GLU 28 lone 1 97 - 1 - Peak 2311 from cnoeabs.peaks (4.16, 1.90, 30.21 ppm; 3.22 A): 1 out of 13 assignments used, quality = 1.00: * HA GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 68 - HB2 GLU 28 OK 15 60 - 26 - 2.3/2315=4, ~3735=3...(10) HA PRO 37 - HB2 GLU 28 OK 15 92 - 16 - 5997/3.8=3, 2.3/2314=2...(7) HA PHE 83 - HB2 GLU 28 OK 11 97 - 11 - 3.6/2310=3, 882/3.8=2 HA GLU 56 - HB2 GLU 28 lone 8 97 - 8 - HA ILE 63 - HB2 GLU 28 lone 5 83 - 6 - HA ARG 92 - HB2 GLU 28 lone 4 63 - 6 - HA SER 78 - HB2 GLU 28 lone 4 97 - 4 - HB2 SER 113 - HB2 GLU 28 lone 3 100 - 3 - HA ALA 98 - HB2 GLU 28 lone 3 81 - 3 - HA ASN 108 - HB2 GLU 28 lone 2 92 - 2 - HA ILE 124 - HB2 GLU 28 lone 2 89 - 2 - HB3 SER 72 - HB2 GLU 28 lone 2 85 - 2 - Peak 2312 from cnoeabs.peaks (1.90, 1.90, 30.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 Peak 2313 from cnoeabs.peaks (1.87, 1.90, 30.21 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HB3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 1.8=100 HG12 ILE 22 - HB2 GLU 28 OK 18 81 - 23 - 2.1/2177=3, ~6563=3...(10) HG3 PRO 68 - HB2 GLU 28 OK 18 100 - 18 - 2.3/2315=2, 2307/3.0=2...(9) HG LEU 55 - HB2 GLU 28 lone 7 93 - 8 - 2.1/6564=1 HG LEU 84 - HB2 GLU 28 lone 7 87 - 8 - 4253/3.8=1 HB3 LYS 31 - HB2 GLU 28 lone 5 92 - 6 - HB VAL 50 - HB2 GLU 28 lone 5 92 - 5 - HB2 LEU 58 - HB2 GLU 28 lone 4 100 - 4 - HB2 ARG 92 - HB2 GLU 28 lone 3 99 - 3 - HB2 LYS 119 - HB2 GLU 28 lone 2 92 - 3 - HB3 LYS 109 - HB2 GLU 28 lone 1 100 - 1 - HG3 GLU 73 - HB2 GLU 28 lone 1 60 - 2 - Peak 2314 from cnoeabs.peaks (2.23, 1.90, 30.21 ppm; 2.91 A): 2 out of 13 assignments used, quality = 1.00: * HG2 GLU 28 + HB2 GLU 28 OK 95 100 - 95 - 3.0=91, 1.8/2324=11...(15) HG3 GLU 28 + HB2 GLU 28 OK 95 100 - 95 - 3.0=91, 1.8/2324=11...(15) HB2 PRO 68 - HB2 GLU 28 OK 28 100 - 28 - 3735/1.8=4, 2.3/2313=3...(10) HB3 PRO 37 - HB2 GLU 28 OK 14 92 - 15 - 2.3/2311=2, 2308/3.0=2...(4) HG2 PRO 37 - HB2 GLU 28 poor 7 63 - 11 - 3.8/2311=1, 2685/3.0=1 HB3 LEU 117 - HB2 GLU 28 lone 6 100 - 6 - HG2 GLU 56 - HB2 GLU 28 lone 5 90 - 5 - HG2 GLU 38 - HB2 GLU 28 lone 4 97 - 4 - HG3 GLU 38 - HB2 GLU 28 lone 4 97 - 4 - HG3 GLU 64 - HB2 GLU 28 lone 3 99 - 3 - HB2 PRO 70 - HB2 GLU 28 lone 2 93 - 3 - HG2 GLU 94 - HB2 GLU 28 lone 2 98 - 2 - HG3 GLU 15 - HB2 GLU 28 lone 1 81 - 1 - Peak 2315 from cnoeabs.peaks (2.23, 1.90, 30.21 ppm; 2.91 A): 2 out of 13 assignments used, quality = 1.00: * HG3 GLU 28 + HB2 GLU 28 OK 95 100 - 95 - 3.0=91, 1.8/2324=11...(15) HG2 GLU 28 + HB2 GLU 28 OK 95 100 - 95 - 3.0=91, 1.8/2324=11...(15) HB2 PRO 68 - HB2 GLU 28 OK 28 100 - 28 - 3735/1.8=4, 2.3/2313=3...(10) HB3 PRO 37 - HB2 GLU 28 OK 13 89 - 15 - 2.3/2311=2, 2308/3.0=2...(4) HG2 PRO 37 - HB2 GLU 28 poor 6 57 - 11 - 3.8/2311=1 HB3 LEU 117 - HB2 GLU 28 lone 6 100 - 6 - HG2 GLU 56 - HB2 GLU 28 lone 5 93 - 5 - HG2 GLU 38 - HB2 GLU 28 lone 4 99 - 4 - HG3 GLU 38 - HB2 GLU 28 lone 4 98 - 4 - HG3 GLU 64 - HB2 GLU 28 lone 3 100 - 3 - HB2 PRO 70 - HB2 GLU 28 lone 2 96 - 3 - HG2 GLU 94 - HB2 GLU 28 lone 2 99 - 2 - HG3 GLU 15 - HB2 GLU 28 lone 1 85 - 1 - Peak 2316 from cnoeabs.peaks (8.50, 1.87, 30.21 ppm; 3.39 A): 3 out of 9 assignments used, quality = 0.90: * H GLU 28 + HB3 GLU 28 OK 86 100 - 86 - 3.8=74, 883/1.8=15...(10) H LEU 84 + HB3 GLU 28 OK 22 100 - 22 - 2304/3.0=3, 1185/1.8=3...(9) H LYS 31 + HB3 GLU 28 OK 11 100 - 11 - 894=1, 2304/3.0=1...(4) H PHE 40 - HB3 GLU 28 lone 7 97 - 8 - 2304/3.0=2, 105/4.2=2...(4) H GLU 38 - HB3 GLU 28 lone 7 78 - 9 - 3.6/2317=2, 2304/3.0=2 H LEU 77 - HB3 GLU 28 lone 6 97 - 6 - 2304/3.0=1 H SER 13 - HB3 GLU 28 lone 2 100 - 2 - H TYR 102 - HB3 GLU 28 lone 2 83 - 2 - H GLY 2 - HB3 GLU 28 lone 1 97 - 1 - Peak 2317 from cnoeabs.peaks (4.16, 1.87, 30.21 ppm; 3.29 A): 1 out of 13 assignments used, quality = 1.00: * HA GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 68 - HB3 GLU 28 OK 18 60 - 30 - 2.3/3742=5, 2.3/3735=5...(14) HA PRO 37 - HB3 GLU 28 OK 15 92 - 16 - 5997/3.8=3, 2.3/2320=2...(9) HA PHE 83 - HB3 GLU 28 poor 10 97 - 10 - 3.6/2316=3, 882/3.8=2 HA GLU 56 - HB3 GLU 28 lone 8 97 - 8 - HA ARG 92 - HB3 GLU 28 lone 5 63 - 8 - HA ILE 63 - HB3 GLU 28 lone 4 83 - 5 - HA SER 78 - HB3 GLU 28 lone 4 97 - 4 - HB2 SER 113 - HB3 GLU 28 lone 3 100 - 3 - 106/4.2=1 HA ALA 98 - HB3 GLU 28 lone 3 81 - 3 - HA ASN 108 - HB3 GLU 28 lone 2 92 - 3 - HA ILE 124 - HB3 GLU 28 lone 2 89 - 2 - HB3 SER 72 - HB3 GLU 28 lone 1 85 - 2 - Peak 2318 from cnoeabs.peaks (1.90, 1.87, 30.21 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 1.8=100 HB ILE 22 - HB3 GLU 28 OK 24 100 - 24 - 107/4.2=2, 2306/3.0=2...(13) HB2 LEU 84 - HB3 GLU 28 OK 10 100 - 10 - 4.0/2316=1, 2306/3.0=1 HG LEU 84 - HB3 GLU 28 lone 8 90 - 9 - 4253/3.8=1 HG LEU 55 - HB3 GLU 28 lone 6 83 - 8 - HB3 LYS 31 - HB3 GLU 28 lone 5 85 - 6 - HB VAL 50 - HB3 GLU 28 lone 4 85 - 5 - HB2 ARG 81 - HB3 GLU 28 lone 4 100 - 4 - HB3 GLU 73 - HB3 GLU 28 lone 2 99 - 2 - HB ILE 80 - HB3 GLU 28 lone 2 87 - 3 - HB2 LYS 119 - HB3 GLU 28 lone 2 85 - 3 - HG LEU 58 - HB3 GLU 28 lone 2 63 - 3 - HB2 ARG 92 - HB3 GLU 28 lone 2 63 - 3 - HB2 LEU 21 - HB3 GLU 28 lone 2 78 - 2 - HB3 MET 11 - HB3 GLU 28 lone 1 96 - 1 - Peak 2319 from cnoeabs.peaks (1.87, 1.87, 30.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 Peak 2320 from cnoeabs.peaks (2.23, 1.87, 30.21 ppm; 3.12 A): 2 out of 13 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 HB2 PRO 68 - HB3 GLU 28 OK 35 100 - 36 - 3735=7, 1.8/3742=5...(15) HB3 PRO 37 - HB3 GLU 28 OK 16 92 - 17 - 2.3/2317=2, 2308/3.0=2...(5) HG2 PRO 37 - HB3 GLU 28 poor 8 63 - 13 - 3.8/2317=1, 2685/3.0=1...(4) HB3 LEU 117 - HB3 GLU 28 lone 6 100 - 6 - 886/3.8=1 HG2 GLU 56 - HB3 GLU 28 lone 5 90 - 6 - HG2 GLU 38 - HB3 GLU 28 lone 5 97 - 5 - HG3 GLU 38 - HB3 GLU 28 lone 5 97 - 5 - HG3 GLU 64 - HB3 GLU 28 lone 4 99 - 4 - HB2 PRO 70 - HB3 GLU 28 lone 3 93 - 3 - HG2 GLU 94 - HB3 GLU 28 lone 2 98 - 2 - HG3 GLU 15 - HB3 GLU 28 lone 1 81 - 1 - Peak 2321 from cnoeabs.peaks (2.23, 1.87, 30.21 ppm; 3.12 A): 2 out of 13 assignments used, quality = 1.00: * HG3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HG2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 PRO 68 - HB3 GLU 28 OK 35 100 - 36 - 3735=7, 1.8/3742=5...(15) HB3 PRO 37 - HB3 GLU 28 OK 15 89 - 17 - 2.3/2317=2, 2308/3.0=2...(5) HG2 PRO 37 - HB3 GLU 28 poor 7 57 - 12 - 3.8/2317=1, 2308/3.0=1...(4) HB3 LEU 117 - HB3 GLU 28 lone 6 100 - 6 - 886/3.8=1 HG2 GLU 56 - HB3 GLU 28 lone 5 93 - 6 - HG2 GLU 38 - HB3 GLU 28 lone 5 99 - 5 - HG3 GLU 38 - HB3 GLU 28 lone 5 98 - 5 - HG3 GLU 64 - HB3 GLU 28 lone 4 100 - 4 - HB2 PRO 70 - HB3 GLU 28 lone 3 96 - 3 - HG2 GLU 94 - HB3 GLU 28 lone 2 99 - 2 - HG3 GLU 15 - HB3 GLU 28 lone 1 85 - 1 - Peak 2322 from cnoeabs.peaks (8.50, 2.23, 36.06 ppm; 3.41 A): 4 out of 36 assignments used, quality = 0.93: * H GLU 28 + HG2 GLU 28 OK 70 100 - 70 - 5.1=30, 2310/3.0=16...(11) H GLU 28 + HG3 GLU 28 OK 70 100 - 70 - 5.1=30, 2310/3.0=16...(11) H LEU 84 + HG2 GLU 28 OK 13 100 - 13 - 2310/3.0=4, 2316/3.0=4 H LEU 84 + HG3 GLU 28 OK 13 100 - 13 - 2310/3.0=4, 2316/3.0=4 H PHE 40 - HG2 GLU 28 lone 10 97 - 10 - 2304/4.0=2, 2310/3.0=2...(5) H PHE 40 - HG3 GLU 28 lone 10 97 - 10 - 2304/4.0=2, 2310/3.0=2...(5) H GLU 38 - HG2 GLU 28 poor 9 78 - 12 - 930=1, 2310/3.0=1...(6) H GLU 38 - HG3 GLU 28 poor 9 78 - 12 - 930=1, 2310/3.0=1...(6) H GLU 38 - HG3 GLU 64 poor 8 74 - 10 - 930=1, 3.0/2703=1...(5) H GLU 38 - HG2 GLU 94 poor 7 67 - 11 - 930=2, 928/3.0=2...(4) H LYS 31 - HG2 GLU 28 lone 6 100 - 6 - 2316/3.0=2, 2310/3.0=2 H LYS 31 - HG3 GLU 28 lone 6 100 - 6 - 2316/3.0=2, 2310/3.0=2 H LEU 77 - HG2 GLU 28 lone 5 97 - 5 - 2310/3.0=1, 2316/3.0=1 H LEU 77 - HG3 GLU 28 lone 5 96 - 5 - 2310/3.0=1, 2316/3.0=1 H PHE 40 - HG2 GLU 94 lone 3 88 - 4 - H GLU 28 - HG3 GLU 64 lone 3 98 - 3 - H LEU 84 - HG2 GLU 94 lone 3 92 - 3 - 1689/4.9=1 H SER 13 - HG3 GLU 28 lone 3 100 - 3 - H SER 13 - HG2 GLU 28 lone 3 100 - 3 - H PHE 40 - HG3 GLU 64 lone 2 94 - 2 - H TYR 102 - HG2 GLU 28 lone 2 83 - 2 - H TYR 102 - HG3 GLU 28 lone 2 83 - 2 - H GLU 28 - HG2 GLU 94 lone 2 93 - 2 - H TYR 102 - HG3 GLU 64 lone 2 78 - 2 - H LEU 84 - HG3 GLU 64 lone 1 98 - 1 - H SER 13 - HG3 GLU 64 lone 1 98 - 1 - H LYS 31 - HG3 GLU 64 lone 1 98 - 1 - H LEU 77 - HG3 GLU 64 lone 1 93 - 1 - H GLY 2 - HG2 GLU 28 lone 1 97 - 1 - H GLY 2 - HG3 GLU 28 lone 1 96 - 1 - H LEU 77 - HG2 GLU 94 lone 1 87 - 1 - H SER 13 - HG2 GLU 94 lone 1 93 - 1 - H LYS 31 - HG2 GLU 94 lone 1 93 - 1 - H TYR 102 - HG2 GLU 94 lone 1 72 - 1 - H GLY 2 - HG3 GLU 64 lone 0 93 - 0 - H GLY 2 - HG2 GLU 94 lone 0 87 - 0 - Peak 2323 from cnoeabs.peaks (4.16, 2.23, 36.06 ppm; 3.19 A): 2 out of 52 assignments used, quality = 0.97: * HA GLU 28 + HG2 GLU 28 OK 82 100 - 82 - 4.0=51, 2306/3.0=11...(20) HA GLU 28 + HG3 GLU 28 OK 82 100 - 82 - 4.0=51, 2306/3.0=11...(20) HA ILE 63 - HG3 GLU 64 OK 27 78 - 34 - 5663/5.0=10, 3.0/3568=3...(14) HA PRO 68 - HG2 GLU 28 OK 17 60 - 28 - 2.3/3739=4, 3725=3...(17) HA PRO 68 - HG3 GLU 28 OK 17 60 - 28 - 2.3/3739=4, 3725=3...(17) HA PRO 37 - HG2 GLU 28 OK 15 92 - 16 - 2311/3.0=2, 2317/3.0=2...(5) HA PRO 37 - HG3 GLU 28 OK 15 92 - 16 - 2311/3.0=2, 2317/3.0=2...(5) HA GLU 56 - HG3 GLU 28 lone 9 96 - 10 - 2311/3.0=1, 2317/3.0=1 HA GLU 56 - HG2 GLU 28 lone 9 97 - 10 - 2311/3.0=1, 2317/3.0=1 HA ILE 63 - HG2 GLU 28 lone 7 83 - 9 - 3.6/3564=2 HA ILE 63 - HG3 GLU 28 lone 7 83 - 9 - 3.6/3564=2 HA PRO 68 - HG2 GLU 94 poor 7 51 - 14 - 2.3/3739=2, 3725=2, ~4538=1 HA PHE 83 - HG2 GLU 28 lone 6 97 - 7 - 2311/3.0=1, 2317/3.0=1 HA PHE 83 - HG3 GLU 28 lone 6 97 - 7 - 2311/3.0=1, 2317/3.0=1 HA PRO 37 - HG3 GLU 64 lone 4 88 - 5 - HA ILE 63 - HG2 GLU 94 lone 4 72 - 6 - 3.6/3564=2 HA GLU 28 - HG3 GLU 64 lone 3 98 - 3 - HB2 SER 113 - HG2 GLU 94 lone 3 92 - 3 - HA PRO 37 - HG2 GLU 94 lone 3 81 - 3 - 3.6/930=1 HA SER 78 - HG2 GLU 28 lone 2 97 - 2 - HA SER 78 - HG3 GLU 28 lone 2 97 - 2 - HB2 SER 113 - HG3 GLU 28 lone 2 100 - 2 - HB2 SER 113 - HG2 GLU 28 lone 2 100 - 2 - HA GLU 56 - HG2 GLU 94 lone 2 87 - 3 - HA GLU 56 - HG3 GLU 64 lone 2 93 - 2 - HA ARG 92 - HG2 GLU 28 lone 2 63 - 3 - HA ARG 92 - HG3 GLU 28 lone 2 63 - 3 - HA ILE 124 - HG3 GLU 64 lone 2 84 - 2 - HB2 SER 113 - HG3 GLU 64 lone 2 97 - 2 - HA PHE 83 - HG3 GLU 64 lone 2 94 - 2 - HA SER 78 - HG3 GLU 64 lone 2 94 - 2 - HA GLU 28 - HG2 GLU 94 lone 2 93 - 2 - HA ALA 98 - HG2 GLU 28 lone 2 81 - 2 - HA ALA 98 - HG3 GLU 28 lone 2 80 - 2 - HA ILE 124 - HG2 GLU 94 lone 2 78 - 2 - HA PHE 83 - HG2 GLU 94 lone 2 88 - 2 - HA PRO 68 - HG3 GLU 64 lone 2 56 - 3 - HA ILE 124 - HG2 GLU 28 lone 1 89 - 2 - HA ILE 124 - HG3 GLU 28 lone 1 88 - 2 - HA ASN 108 - HG2 GLU 28 lone 1 92 - 1 - HA ASN 108 - HG3 GLU 28 lone 1 92 - 1 - HA ALA 98 - HG3 GLU 64 lone 1 76 - 1 - HA ASN 108 - HG3 GLU 64 lone 1 88 - 1 - HB3 SER 72 - HG2 GLU 28 lone 1 85 - 1 - HB3 SER 72 - HG3 GLU 28 lone 1 85 - 1 - HA SER 78 - HG2 GLU 94 lone 1 88 - 1 - HB3 SER 72 - HG3 GLU 64 lone 0 81 - 1 - HA ASN 108 - HG2 GLU 94 lone 0 81 - 0 - HA ALA 98 - HG2 GLU 94 lone 0 70 - 1 - HB3 SER 72 - HG2 GLU 94 lone 0 74 - 0 - HA ARG 92 - HG2 GLU 94 lone 0 53 - 1 - HA ARG 92 - HG3 GLU 64 lone 0 59 - 0 - Peak 2324 from cnoeabs.peaks (1.90, 2.23, 36.06 ppm; 2.57 A): 2 out of 60 assignments used, quality = 0.93: * HB2 GLU 28 + HG2 GLU 28 OK 74 100 - 74 - 3.0=62, 2315/1.8=9...(12) HB2 GLU 28 + HG3 GLU 28 OK 74 100 - 74 - 3.0=62, 2315/1.8=9...(12) HB ILE 22 - HG2 GLU 28 OK 16 100 - 16 - 2318/3.0=3, 2306/4.0=2...(4) HB ILE 22 - HG3 GLU 28 OK 16 100 - 16 - 2318/3.0=3, 2306/4.0=2...(4) HB2 LEU 84 - HG2 GLU 28 lone 6 100 - 6 - 2318/3.0=1 HB2 LEU 84 - HG3 GLU 28 lone 6 100 - 6 - 2318/3.0=1 HG LEU 55 - HG2 GLU 28 lone 5 83 - 6 - HG LEU 55 - HG3 GLU 28 lone 5 83 - 6 - HG LEU 84 - HG2 GLU 28 lone 4 90 - 5 - HG LEU 84 - HG3 GLU 28 lone 4 90 - 5 - HB2 ARG 81 - HG2 GLU 28 lone 3 100 - 3 - HB2 ARG 81 - HG3 GLU 28 lone 3 100 - 3 - HB3 LYS 31 - HG2 GLU 28 lone 3 85 - 3 - HB3 LYS 31 - HG3 GLU 28 lone 3 85 - 3 - HB2 LEU 21 - HG3 GLU 64 lone 2 74 - 3 - HB VAL 50 - HG2 GLU 28 lone 2 85 - 3 - HB VAL 50 - HG3 GLU 28 lone 2 85 - 3 - HB2 GLU 28 - HG3 GLU 64 lone 2 98 - 2 - HB2 ARG 81 - HG3 GLU 64 lone 2 98 - 2 - HB3 GLU 73 - HG2 GLU 28 lone 2 99 - 2 - HB3 GLU 73 - HG3 GLU 28 lone 2 99 - 2 - HG LEU 55 - HG2 GLU 94 lone 2 72 - 2 - HB ILE 80 - HG2 GLU 28 lone 2 87 - 2 - HB ILE 80 - HG3 GLU 28 lone 2 87 - 2 - HG LEU 58 - HG3 GLU 64 lone 1 59 - 2 - HB2 GLU 28 - HG2 GLU 94 lone 1 93 - 1 - HG LEU 58 - HG2 GLU 28 lone 1 63 - 2 - HG LEU 58 - HG3 GLU 28 lone 1 63 - 2 - HB2 LYS 119 - HG2 GLU 28 lone 1 85 - 1 - HB2 LYS 119 - HG3 GLU 28 lone 1 85 - 1 - HB2 LEU 21 - HG2 GLU 28 lone 1 78 - 1 - HB2 LEU 21 - HG3 GLU 28 lone 1 78 - 1 - HB2 ARG 92 - HG2 GLU 28 lone 1 63 - 2 - HB2 ARG 92 - HG3 GLU 28 lone 1 63 - 2 - HB ILE 22 - HG3 GLU 64 lone 1 97 - 1 - HB ILE 80 - HG3 GLU 64 lone 1 83 - 1 - HB VAL 50 - HG2 GLU 94 lone 1 74 - 1 - HG LEU 58 - HG2 GLU 94 lone 1 53 - 2 - HB2 LEU 84 - HG2 GLU 94 lone 1 93 - 1 - HB3 MET 11 - HG2 GLU 28 lone 1 96 - 1 - HB3 MET 11 - HG2 GLU 94 lone 1 85 - 1 - HB3 MET 11 - HG3 GLU 28 lone 1 95 - 1 - HB2 LYS 119 - HG3 GLU 64 lone 1 81 - 1 - HB2 LEU 84 - HG3 GLU 64 lone 1 98 - 1 - HB ILE 80 - HG2 GLU 94 lone 1 76 - 1 - HG LEU 55 - HG3 GLU 64 lone 1 78 - 1 - HG LEU 84 - HG3 GLU 64 lone 1 86 - 1 - HB3 GLU 73 - HG3 GLU 64 lone 0 96 - 0 - HB3 MET 11 - HG3 GLU 64 lone 0 92 - 0 - HB ILE 22 - HG2 GLU 94 lone 0 92 - 0 - HB2 LYS 119 - HG2 GLU 94 lone 0 74 - 0 - HB2 ARG 81 - HG2 GLU 94 lone 0 92 - 0 - HG LEU 84 - HG2 GLU 94 lone 0 79 - 0 - HB3 LYS 31 - HG3 GLU 64 lone 0 81 - 0 - HB3 LYS 31 - HG2 GLU 94 lone 0 74 - 0 - HB2 LEU 21 - HG2 GLU 94 lone 0 67 - 0 - HB VAL 50 - HG3 GLU 64 lone 0 81 - 0 - HB3 GLU 73 - HG2 GLU 94 lone 0 90 - 0 - HB2 ARG 92 - HG2 GLU 94 lone 0 53 - 0 - HB2 ARG 92 - HG3 GLU 64 lone 0 59 - 0 - Peak 2325 from cnoeabs.peaks (1.87, 2.23, 36.06 ppm; 2.72 A): 2 out of 48 assignments used, quality = 0.97: * HB3 GLU 28 + HG2 GLU 28 OK 84 100 - 84 - 3.0=74, 1.8/2315=11...(12) HB3 GLU 28 + HG3 GLU 28 OK 84 100 - 84 - 3.0=74, 1.8/2315=11...(12) HG3 PRO 68 - HG2 GLU 28 OK 25 100 - 26 - 2.3/3739=3, 3753=3...(11) HG3 PRO 68 - HG3 GLU 28 OK 25 100 - 26 - 2.3/3739=3, 3753=3...(11) HG12 ILE 22 - HG2 GLU 28 OK 13 81 - 17 - 2313/3.0=2, 2307/4.0=2...(9) HG12 ILE 22 - HG3 GLU 28 OK 13 80 - 17 - 2313/3.0=2, 2307/4.0=2...(9) HG3 PRO 68 - HG2 GLU 94 OK 11 93 - 11 - 2.3/3739=2, 3753=1 HG LEU 55 - HG2 GLU 28 lone 8 93 - 8 - HG LEU 55 - HG3 GLU 28 lone 8 93 - 8 - HB2 LEU 58 - HG3 GLU 64 lone 7 98 - 7 - 3355/3.9=1 HB2 LEU 58 - HG2 GLU 94 lone 5 93 - 5 - HG LEU 84 - HG2 GLU 28 lone 5 87 - 6 - HG LEU 84 - HG3 GLU 28 lone 5 87 - 6 - HB2 LEU 58 - HG2 GLU 28 lone 3 100 - 3 - HB2 LEU 58 - HG3 GLU 28 lone 3 100 - 3 - HB3 LYS 31 - HG2 GLU 28 lone 3 92 - 4 - HB3 LYS 31 - HG3 GLU 28 lone 3 92 - 4 - HB VAL 50 - HG2 GLU 28 lone 3 92 - 3 - HB VAL 50 - HG3 GLU 28 lone 3 92 - 3 - HB2 ARG 92 - HG2 GLU 28 lone 3 99 - 3 - HB2 ARG 92 - HG3 GLU 28 lone 3 99 - 3 - HB3 GLU 28 - HG3 GLU 64 lone 3 98 - 3 - HG LEU 55 - HG2 GLU 94 lone 3 83 - 3 - HG3 PRO 68 - HG3 GLU 64 lone 2 98 - 2 - HB2 LYS 119 - HG2 GLU 28 lone 2 92 - 2 - HB2 LYS 119 - HG3 GLU 28 lone 2 92 - 2 - HB3 GLU 28 - HG2 GLU 94 lone 1 93 - 2 - HB VAL 50 - HG2 GLU 94 lone 1 81 - 2 - HB3 LYS 109 - HG3 GLU 64 lone 1 98 - 1 - HB3 LYS 109 - HG2 GLU 28 lone 1 100 - 1 - HB3 LYS 109 - HG3 GLU 28 lone 1 100 - 1 - HG LEU 55 - HG3 GLU 64 lone 1 89 - 1 - HB2 LYS 119 - HG3 GLU 64 lone 1 88 - 1 - HG12 ILE 22 - HG3 GLU 64 lone 1 76 - 1 - HG LEU 84 - HG3 GLU 64 lone 1 83 - 1 - HB3 LYS 109 - HG2 GLU 94 lone 1 92 - 1 - HG3 GLU 73 - HG2 GLU 28 lone 1 60 - 1 - HG3 GLU 73 - HG3 GLU 28 lone 1 60 - 1 - HB2 LYS 119 - HG2 GLU 94 lone 1 81 - 1 - HB2 ARG 92 - HG2 GLU 94 lone 0 91 - 1 - HB3 LYS 31 - HG2 GLU 94 lone 0 81 - 0 - HG LEU 84 - HG2 GLU 94 lone 0 76 - 0 - HB2 ARG 92 - HG3 GLU 64 lone 0 97 - 0 - HG12 ILE 22 - HG2 GLU 94 lone 0 70 - 1 - HB3 LYS 31 - HG3 GLU 64 lone 0 88 - 0 - HB VAL 50 - HG3 GLU 64 lone 0 88 - 0 - HG3 GLU 73 - HG3 GLU 64 lone 0 56 - 0 - HG3 GLU 73 - HG2 GLU 94 lone 0 51 - 0 - Peak 2326 from cnoeabs.peaks (2.23, 2.23, 36.06 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG3 GLU 64 + HG3 GLU 64 OK 96 96 - 100 HG2 GLU 94 + HG2 GLU 94 OK 89 89 - 100 Peak 2327 from cnoeabs.peaks (2.23, 2.23, 36.06 ppm; diagonal): 4 out of 4 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 HG3 GLU 64 + HG3 GLU 64 OK 97 97 - 100 HG2 GLU 94 + HG2 GLU 94 OK 90 90 - 100 Reference assignment not found: HG3 GLU 28 - HG2 GLU 28 Peak 2328 from cnoeabs.peaks (8.50, 2.23, 36.06 ppm; 3.41 A): 4 out of 36 assignments used, quality = 0.93: * H GLU 28 + HG3 GLU 28 OK 70 100 - 70 - 5.1=30, 2310/3.0=16...(11) H GLU 28 + HG2 GLU 28 OK 70 100 - 70 - 5.1=30, 2310/3.0=16...(11) H LEU 84 + HG3 GLU 28 OK 13 100 - 13 - 2310/3.0=4, 2316/3.0=4 H LEU 84 + HG2 GLU 28 OK 13 100 - 13 - 2310/3.0=4, 2316/3.0=4 H PHE 40 - HG3 GLU 28 lone 10 97 - 10 - 2304/4.0=2, 2310/3.0=2...(5) H PHE 40 - HG2 GLU 28 lone 10 97 - 10 - 2304/4.0=2, 2310/3.0=2...(5) H GLU 38 - HG2 GLU 28 poor 9 78 - 12 - 930=1, 2310/3.0=1...(6) H GLU 38 - HG3 GLU 28 poor 9 78 - 12 - 930=1, 2310/3.0=1...(5) H GLU 38 - HG3 GLU 64 poor 8 75 - 10 - 930=1, 3.0/2703=1...(5) H GLU 38 - HG2 GLU 94 poor 8 69 - 11 - 931=2, 928/3.0=2...(4) H LYS 31 - HG3 GLU 28 lone 6 100 - 6 - 2316/3.0=2, 2310/3.0=2 H LYS 31 - HG2 GLU 28 lone 6 100 - 6 - 2316/3.0=2, 2310/3.0=2 H LEU 77 - HG3 GLU 28 lone 5 97 - 5 - 2310/3.0=1, 2316/3.0=1 H LEU 77 - HG2 GLU 28 lone 5 96 - 5 - 2310/3.0=1, 2316/3.0=1 H PHE 40 - HG2 GLU 94 lone 3 89 - 4 - H GLU 28 - HG3 GLU 64 lone 3 99 - 3 - H LEU 84 - HG2 GLU 94 lone 3 94 - 3 - 1689/4.9=1 H SER 13 - HG3 GLU 28 lone 3 100 - 3 - H SER 13 - HG2 GLU 28 lone 3 100 - 3 - H PHE 40 - HG3 GLU 64 lone 2 95 - 2 - H TYR 102 - HG3 GLU 28 lone 2 83 - 2 - H TYR 102 - HG2 GLU 28 lone 2 83 - 2 - H GLU 28 - HG2 GLU 94 lone 2 94 - 2 - H TYR 102 - HG3 GLU 64 lone 2 80 - 2 - H SER 13 - HG3 GLU 64 lone 1 99 - 1 - H LEU 84 - HG3 GLU 64 lone 1 99 - 1 - H LYS 31 - HG3 GLU 64 lone 1 99 - 1 - H LEU 77 - HG3 GLU 64 lone 1 94 - 1 - H GLY 2 - HG3 GLU 28 lone 1 97 - 1 - H GLY 2 - HG2 GLU 28 lone 1 96 - 1 - H LEU 77 - HG2 GLU 94 lone 1 88 - 1 - H LYS 31 - HG2 GLU 94 lone 1 94 - 1 - H SER 13 - HG2 GLU 94 lone 1 94 - 1 - H TYR 102 - HG2 GLU 94 lone 1 73 - 1 - H GLY 2 - HG3 GLU 64 lone 0 94 - 0 - H GLY 2 - HG2 GLU 94 lone 0 88 - 0 - Peak 2329 from cnoeabs.peaks (4.16, 2.23, 36.06 ppm; 3.19 A): 2 out of 52 assignments used, quality = 0.97: * HA GLU 28 + HG3 GLU 28 OK 82 100 - 82 - 4.0=51, 2306/3.0=11...(20) HA GLU 28 + HG2 GLU 28 OK 82 100 - 82 - 4.0=51, 2306/3.0=11...(20) HA ILE 63 - HG3 GLU 64 OK 27 80 - 34 - 5663/5.0=10, 3.0/3568=3...(14) HA PRO 68 - HG3 GLU 28 OK 17 60 - 28 - 2.3/3739=4, 3725=3...(17) HA PRO 68 - HG2 GLU 28 OK 17 60 - 28 - 2.3/3739=4, 3725=3...(17) HA PRO 37 - HG3 GLU 28 OK 14 92 - 16 - 2311/3.0=2, 2317/3.0=2...(5) HA PRO 37 - HG2 GLU 28 OK 14 92 - 16 - 2311/3.0=2, 2317/3.0=2...(5) HA GLU 56 - HG3 GLU 28 lone 9 97 - 10 - 2311/3.0=1, 2317/3.0=1 HA GLU 56 - HG2 GLU 28 lone 9 96 - 10 - 2311/3.0=1, 2317/3.0=1 HA ILE 63 - HG3 GLU 28 lone 7 83 - 9 - 3.6/3564=2 HA ILE 63 - HG2 GLU 28 lone 7 83 - 9 - 3.6/3564=2 HA PRO 68 - HG2 GLU 94 poor 7 52 - 14 - 2.3/3739=2, 3725=2, ~4538=1 HA PHE 83 - HG3 GLU 28 lone 6 97 - 7 - 2311/3.0=1, 2317/3.0=1 HA PHE 83 - HG2 GLU 28 lone 6 97 - 7 - 2311/3.0=1, 2317/3.0=1 HA ILE 63 - HG2 GLU 94 lone 4 73 - 6 - 3.6/3564=2 HA PRO 37 - HG3 GLU 64 lone 4 89 - 5 - HB2 SER 113 - HG2 GLU 94 lone 3 93 - 3 - HA GLU 28 - HG3 GLU 64 lone 3 99 - 3 - HA PRO 37 - HG2 GLU 94 lone 3 83 - 3 - 3.6/931=1 HA SER 78 - HG3 GLU 28 lone 2 97 - 3 - HB2 SER 113 - HG3 GLU 28 lone 2 100 - 2 - HA SER 78 - HG2 GLU 28 lone 2 97 - 2 - HB2 SER 113 - HG2 GLU 28 lone 2 100 - 2 - HA GLU 56 - HG2 GLU 94 lone 2 88 - 3 - HA GLU 56 - HG3 GLU 64 lone 2 94 - 2 - HA ILE 124 - HG3 GLU 64 lone 2 86 - 2 - HB2 SER 113 - HG3 GLU 64 lone 2 98 - 2 - HA ARG 92 - HG3 GLU 28 lone 2 63 - 3 - HA ARG 92 - HG2 GLU 28 lone 2 63 - 3 - HA PHE 83 - HG3 GLU 64 lone 2 95 - 2 - HA SER 78 - HG3 GLU 64 lone 2 95 - 2 - HA GLU 28 - HG2 GLU 94 lone 2 94 - 2 - HA ILE 124 - HG2 GLU 94 lone 2 79 - 2 - HA ALA 98 - HG3 GLU 28 lone 2 81 - 2 - HA ALA 98 - HG2 GLU 28 lone 2 80 - 2 - HA PHE 83 - HG2 GLU 94 lone 2 89 - 2 - HA PRO 68 - HG3 GLU 64 lone 2 57 - 3 - HA ILE 124 - HG3 GLU 28 lone 1 89 - 2 - HA ILE 124 - HG2 GLU 28 lone 1 88 - 2 - HA ASN 108 - HG3 GLU 28 lone 1 92 - 1 - HA ASN 108 - HG2 GLU 28 lone 1 92 - 1 - HA ALA 98 - HG3 GLU 64 lone 1 78 - 1 - HA ASN 108 - HG3 GLU 64 lone 1 89 - 1 - HB3 SER 72 - HG3 GLU 28 lone 1 85 - 1 - HB3 SER 72 - HG2 GLU 28 lone 1 85 - 1 - HA SER 78 - HG2 GLU 94 lone 1 89 - 1 - HB3 SER 72 - HG3 GLU 64 lone 0 82 - 1 - HA ASN 108 - HG2 GLU 94 lone 0 83 - 0 - HA ALA 98 - HG2 GLU 94 lone 0 71 - 1 - HB3 SER 72 - HG2 GLU 94 lone 0 75 - 0 - HA ARG 92 - HG2 GLU 94 lone 0 55 - 1 - HA ARG 92 - HG3 GLU 64 lone 0 60 - 0 - Peak 2330 from cnoeabs.peaks (1.90, 2.23, 36.06 ppm; 2.57 A): 2 out of 60 assignments used, quality = 0.93: * HB2 GLU 28 + HG3 GLU 28 OK 74 100 - 74 - 3.0=62, 2315/1.8=9...(12) HB2 GLU 28 + HG2 GLU 28 OK 74 100 - 74 - 3.0=62, 2315/1.8=9...(12) HB ILE 22 - HG3 GLU 28 OK 16 100 - 16 - 2318/3.0=3, 2306/4.0=2...(4) HB ILE 22 - HG2 GLU 28 OK 16 100 - 16 - 2318/3.0=3, 2306/4.0=2...(4) HB2 LEU 84 - HG3 GLU 28 lone 6 100 - 6 - 2318/3.0=1 HB2 LEU 84 - HG2 GLU 28 lone 6 100 - 6 - 2318/3.0=1 HG LEU 55 - HG3 GLU 28 lone 5 83 - 6 - HG LEU 55 - HG2 GLU 28 lone 5 83 - 6 - HG LEU 84 - HG3 GLU 28 lone 4 90 - 5 - HG LEU 84 - HG2 GLU 28 lone 4 90 - 5 - HB2 ARG 81 - HG3 GLU 28 lone 3 100 - 3 - HB2 ARG 81 - HG2 GLU 28 lone 3 100 - 3 - HB3 LYS 31 - HG3 GLU 28 lone 3 85 - 3 - HB3 LYS 31 - HG2 GLU 28 lone 3 85 - 3 - HB2 LEU 21 - HG3 GLU 64 lone 2 75 - 3 - HB VAL 50 - HG3 GLU 28 lone 2 85 - 3 - HB VAL 50 - HG2 GLU 28 lone 2 85 - 3 - HB2 GLU 28 - HG3 GLU 64 lone 2 99 - 2 - HB2 ARG 81 - HG3 GLU 64 lone 2 98 - 2 - HB3 GLU 73 - HG3 GLU 28 lone 2 99 - 2 - HB3 GLU 73 - HG2 GLU 28 lone 2 99 - 2 - HG LEU 55 - HG2 GLU 94 lone 2 73 - 2 - HB ILE 80 - HG3 GLU 28 lone 2 87 - 2 - HB ILE 80 - HG2 GLU 28 lone 2 87 - 2 - HG LEU 58 - HG3 GLU 64 lone 1 60 - 2 - HB2 GLU 28 - HG2 GLU 94 lone 1 94 - 1 - HG LEU 58 - HG3 GLU 28 lone 1 63 - 2 - HG LEU 58 - HG2 GLU 28 lone 1 63 - 2 - HB2 LYS 119 - HG3 GLU 28 lone 1 85 - 1 - HB2 LYS 119 - HG2 GLU 28 lone 1 85 - 1 - HB2 LEU 21 - HG3 GLU 28 lone 1 78 - 1 - HB2 LEU 21 - HG2 GLU 28 lone 1 78 - 1 - HB2 ARG 92 - HG3 GLU 28 lone 1 63 - 2 - HB2 ARG 92 - HG2 GLU 28 lone 1 63 - 2 - HB ILE 22 - HG3 GLU 64 lone 1 98 - 1 - HB ILE 80 - HG3 GLU 64 lone 1 84 - 1 - HB VAL 50 - HG2 GLU 94 lone 1 75 - 1 - HG LEU 58 - HG2 GLU 94 lone 1 55 - 2 - HB2 LEU 84 - HG2 GLU 94 lone 1 94 - 1 - HB3 MET 11 - HG2 GLU 94 lone 1 87 - 1 - HB3 MET 11 - HG3 GLU 28 lone 1 96 - 1 - HB3 MET 11 - HG2 GLU 28 lone 1 95 - 1 - HB2 LYS 119 - HG3 GLU 64 lone 1 82 - 1 - HB ILE 80 - HG2 GLU 94 lone 1 77 - 1 - HB2 LEU 84 - HG3 GLU 64 lone 1 99 - 1 - HG LEU 55 - HG3 GLU 64 lone 1 80 - 1 - HG LEU 84 - HG3 GLU 64 lone 1 87 - 1 - HB3 GLU 73 - HG3 GLU 64 lone 0 97 - 0 - HB3 MET 11 - HG3 GLU 64 lone 0 93 - 0 - HB ILE 22 - HG2 GLU 94 lone 0 93 - 0 - HB2 LYS 119 - HG2 GLU 94 lone 0 75 - 1 - HB2 ARG 81 - HG2 GLU 94 lone 0 93 - 0 - HG LEU 84 - HG2 GLU 94 lone 0 81 - 0 - HB3 LYS 31 - HG3 GLU 64 lone 0 82 - 0 - HB3 LYS 31 - HG2 GLU 94 lone 0 75 - 0 - HB2 LEU 21 - HG2 GLU 94 lone 0 69 - 0 - HB VAL 50 - HG3 GLU 64 lone 0 82 - 0 - HB3 GLU 73 - HG2 GLU 94 lone 0 92 - 0 - HB2 ARG 92 - HG2 GLU 94 lone 0 55 - 0 - HB2 ARG 92 - HG3 GLU 64 lone 0 60 - 0 - Peak 2331 from cnoeabs.peaks (1.87, 2.23, 36.06 ppm; 2.72 A): 2 out of 48 assignments used, quality = 0.97: * HB3 GLU 28 + HG3 GLU 28 OK 84 100 - 84 - 3.0=74, 1.8/2315=11...(12) HB3 GLU 28 + HG2 GLU 28 OK 84 100 - 84 - 3.0=74, 1.8/2315=11...(12) HG3 PRO 68 - HG2 GLU 28 OK 25 100 - 26 - 2.3/3739=3, 3753=3...(11) HG3 PRO 68 - HG3 GLU 28 OK 25 100 - 26 - 2.3/3739=3, 3753=3...(11) HG12 ILE 22 - HG3 GLU 28 OK 13 81 - 17 - 2313/3.0=2, 2307/4.0=2...(9) HG12 ILE 22 - HG2 GLU 28 OK 13 80 - 17 - 2313/3.0=2, 2307/4.0=2...(9) HG3 PRO 68 - HG2 GLU 94 OK 11 94 - 11 - 2.3/3739=2, 3753=1 HG LEU 55 - HG3 GLU 28 lone 8 93 - 8 - HG LEU 55 - HG2 GLU 28 lone 8 93 - 8 - HB2 LEU 58 - HG3 GLU 64 lone 7 99 - 7 - 3355/3.9=1 HB2 LEU 58 - HG2 GLU 94 lone 5 94 - 5 - HG LEU 84 - HG3 GLU 28 lone 5 87 - 6 - HG LEU 84 - HG2 GLU 28 lone 5 87 - 6 - HB2 LEU 58 - HG2 GLU 28 lone 3 100 - 3 - HB2 LEU 58 - HG3 GLU 28 lone 3 100 - 3 - HB3 LYS 31 - HG3 GLU 28 lone 3 92 - 4 - HB3 LYS 31 - HG2 GLU 28 lone 3 92 - 4 - HB VAL 50 - HG3 GLU 28 lone 3 92 - 3 - HB VAL 50 - HG2 GLU 28 lone 3 92 - 3 - HB2 ARG 92 - HG3 GLU 28 lone 3 99 - 3 - HG LEU 55 - HG2 GLU 94 lone 3 84 - 3 - HB2 ARG 92 - HG2 GLU 28 lone 3 99 - 3 - HB3 GLU 28 - HG3 GLU 64 lone 3 99 - 3 - HG3 PRO 68 - HG3 GLU 64 lone 2 99 - 2 - HB2 LYS 119 - HG3 GLU 28 lone 2 92 - 2 - HB2 LYS 119 - HG2 GLU 28 lone 2 92 - 2 - HB3 GLU 28 - HG2 GLU 94 lone 2 94 - 2 - HB VAL 50 - HG2 GLU 94 lone 1 83 - 2 - HB3 LYS 109 - HG3 GLU 64 lone 1 98 - 1 - HB3 LYS 109 - HG3 GLU 28 lone 1 100 - 1 - HB3 LYS 109 - HG2 GLU 28 lone 1 100 - 1 - HG LEU 55 - HG3 GLU 64 lone 1 91 - 1 - HB2 LYS 119 - HG3 GLU 64 lone 1 89 - 1 - HG12 ILE 22 - HG3 GLU 64 lone 1 78 - 1 - HG LEU 84 - HG3 GLU 64 lone 1 84 - 1 - HB3 LYS 109 - HG2 GLU 94 lone 1 93 - 1 - HG3 GLU 73 - HG3 GLU 28 lone 1 60 - 1 - HG3 GLU 73 - HG2 GLU 28 lone 1 60 - 1 - HB2 LYS 119 - HG2 GLU 94 lone 1 83 - 1 - HB2 ARG 92 - HG2 GLU 94 lone 0 93 - 1 - HG LEU 84 - HG2 GLU 94 lone 0 77 - 0 - HB3 LYS 31 - HG2 GLU 94 lone 0 83 - 0 - HG12 ILE 22 - HG2 GLU 94 lone 0 71 - 1 - HB2 ARG 92 - HG3 GLU 64 lone 0 98 - 0 - HB3 LYS 31 - HG3 GLU 64 lone 0 89 - 0 - HB VAL 50 - HG3 GLU 64 lone 0 89 - 0 - HG3 GLU 73 - HG3 GLU 64 lone 0 57 - 0 - HG3 GLU 73 - HG2 GLU 94 lone 0 52 - 0 - Peak 2332 from cnoeabs.peaks (2.23, 2.23, 36.06 ppm; diagonal): 4 out of 4 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 HG3 GLU 64 + HG3 GLU 64 OK 97 97 - 100 HG2 GLU 94 + HG2 GLU 94 OK 90 90 - 100 Reference assignment not found: HG2 GLU 28 - HG3 GLU 28 Peak 2333 from cnoeabs.peaks (2.23, 2.23, 36.06 ppm; diagonal): 4 out of 4 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 HG3 GLU 64 + HG3 GLU 64 OK 98 98 - 100 HG2 GLU 94 + HG2 GLU 94 OK 92 92 - 100 Peak 2334 from cnoeabs.peaks (8.61, 4.43, 56.13 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * H SER 29 + HA SER 29 OK 100 100 - 100 - 2.9=100 H ILE 34 - HA SER 29 OK 11 73 - 14 - 4.6/129=3, 6590/3.8=3...(6) H VAL 18 - HA SER 29 lone 6 71 - 8 - 6588/3.8=1, 6590/3.8=1 H ASN 106 - HA SER 29 lone 2 73 - 3 - Peak 2335 from cnoeabs.peaks (4.43, 4.43, 56.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 29 + HA SER 29 OK 100 100 - 100 Peak 2336 from cnoeabs.peaks (3.81, 4.43, 56.13 ppm; 3.05 A): 2 out of 10 assignments used, quality = 1.00: * HB2 SER 29 + HA SER 29 OK 100 100 - 100 - 3.0=100 HB3 SER 29 + HA SER 29 OK 100 100 - 100 - 3.0=100 HA THR 116 - HA SER 29 poor 10 87 - 11 - 3.0/1775=3, 3.0/6233=3 HA LYS 119 - HA SER 29 lone 5 81 - 6 - HB2 SER 90 - HA SER 29 lone 4 93 - 4 - HA3 GLY 88 - HA SER 29 lone 3 100 - 3 - HA2 GLY 88 - HA SER 29 lone 3 100 - 2 - HA3 GLY 39 - HA SER 29 lone 2 100 - 2 - HA LEU 77 - HA SER 29 lone 1 68 - 2 - HA2 GLY 61 - HA SER 29 lone 1 85 - 1 - Peak 2337 from cnoeabs.peaks (3.81, 4.43, 56.13 ppm; 3.05 A): 2 out of 11 assignments used, quality = 1.00: * HB3 SER 29 + HA SER 29 OK 100 100 - 100 - 3.0=100 HB2 SER 29 + HA SER 29 OK 100 100 - 100 - 3.0=100 HA THR 116 - HA SER 29 poor 10 89 - 11 - 3.0/1775=3, 3.0/6233=3 HA LYS 119 - HA SER 29 lone 5 83 - 6 - HB2 SER 90 - HA SER 29 lone 4 92 - 4 - HA3 GLY 88 - HA SER 29 lone 3 100 - 3 - HA2 GLY 88 - HA SER 29 lone 3 100 - 2 - HA3 GLY 39 - HA SER 29 lone 2 99 - 2 - HA LEU 77 - HA SER 29 lone 1 71 - 2 - HA THR 19 - HA SER 29 lone 1 57 - 2 - HA2 GLY 61 - HA SER 29 lone 1 83 - 1 - Peak 2338 from cnoeabs.peaks (8.61, 3.81, 63.22 ppm; 2.86 A): 2 out of 8 assignments used, quality = 0.79: * H SER 29 + HB2 SER 29 OK 55 100 - 55 - 3.9=39, 889/1.8=14...(6) H SER 29 + HB3 SER 29 OK 55 100 - 55 - 3.9=39, 889/1.8=14...(6) H ILE 34 - HB3 SER 29 lone 5 73 - 6 - 5.0/8186=2, 2334/3.0=1...(4) H ILE 34 - HB2 SER 29 lone 5 73 - 6 - 5.0/8186=2, 2334/3.0=1...(4) H VAL 18 - HB3 SER 29 lone 2 71 - 3 - H VAL 18 - HB2 SER 29 lone 2 71 - 3 - H ASN 106 - HB2 SER 29 lone 1 73 - 1 - H ASN 106 - HB3 SER 29 lone 1 73 - 1 - Peak 2339 from cnoeabs.peaks (4.43, 3.81, 63.22 ppm; 3.00 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 29 + HB2 SER 29 OK 100 100 - 100 - 3.0=100 HA SER 29 + HB3 SER 29 OK 100 100 - 100 - 3.0=100 HA LYS 32 - HB2 SER 29 OK 18 97 - 19 - 6609/4.8=4, 6608/4.8=4...(7) HA LYS 32 - HB3 SER 29 OK 18 97 - 19 - 6609/4.8=4, 6608/4.8=4...(7) HA SER 113 - HB3 SER 29 lone 7 100 - 7 - 888/3.9=1 HA SER 113 - HB2 SER 29 lone 7 100 - 7 - 888/3.9=1 HA SER 90 - HB2 SER 29 lone 3 60 - 6 - HA SER 90 - HB3 SER 29 lone 3 60 - 6 - HA THR 121 - HB3 SER 29 lone 2 73 - 3 - HA THR 121 - HB2 SER 29 lone 2 73 - 3 - Peak 2340 from cnoeabs.peaks (3.81, 3.81, 63.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 29 + HB2 SER 29 OK 100 100 - 100 HB3 SER 29 + HB3 SER 29 OK 100 100 - 100 Peak 2341 from cnoeabs.peaks (3.81, 3.81, 63.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 29 + HB3 SER 29 OK 100 100 - 100 HB2 SER 29 + HB2 SER 29 OK 100 100 - 100 Reference assignment not found: HB3 SER 29 - HB2 SER 29 Peak 2342 from cnoeabs.peaks (8.61, 3.81, 63.22 ppm; 2.86 A): 2 out of 8 assignments used, quality = 0.79: H SER 29 + HB2 SER 29 OK 55 100 - 55 - 3.9=39, 889/1.8=14...(6) * H SER 29 + HB3 SER 29 OK 55 100 - 55 - 3.9=39, 889/1.8=14...(6) H ILE 34 - HB3 SER 29 lone 5 73 - 6 - 5.0/8186=2, 2334/3.0=1...(4) H ILE 34 - HB2 SER 29 lone 5 73 - 6 - 5.0/8186=2, 2334/3.0=1...(4) H VAL 18 - HB3 SER 29 lone 2 71 - 3 - H VAL 18 - HB2 SER 29 lone 2 71 - 3 - H ASN 106 - HB2 SER 29 lone 1 73 - 1 - H ASN 106 - HB3 SER 29 lone 1 73 - 1 - Peak 2343 from cnoeabs.peaks (4.43, 3.81, 63.22 ppm; 3.00 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 29 + HB3 SER 29 OK 100 100 - 100 - 3.0=100 HA SER 29 + HB2 SER 29 OK 100 100 - 100 - 3.0=100 HA LYS 32 - HB3 SER 29 OK 18 97 - 19 - 6609/4.8=4, 6608/4.8=4...(7) HA LYS 32 - HB2 SER 29 OK 18 97 - 19 - 6609/4.8=4, 6608/4.8=4...(7) HA SER 113 - HB3 SER 29 lone 7 100 - 7 - 888/3.9=1 HA SER 113 - HB2 SER 29 lone 7 100 - 7 - 888/3.9=1 HA SER 90 - HB2 SER 29 lone 3 60 - 6 - HA SER 90 - HB3 SER 29 lone 3 60 - 6 - HA THR 121 - HB3 SER 29 lone 2 73 - 3 - HA THR 121 - HB2 SER 29 lone 2 73 - 3 - Peak 2344 from cnoeabs.peaks (3.81, 3.81, 63.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 29 + HB3 SER 29 OK 100 100 - 100 HB2 SER 29 + HB2 SER 29 OK 100 100 - 100 Reference assignment not found: HB2 SER 29 - HB3 SER 29 Peak 2345 from cnoeabs.peaks (3.81, 3.81, 63.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 29 + HB3 SER 29 OK 100 100 - 100 HB2 SER 29 + HB2 SER 29 OK 100 100 - 100 Peak 2346 from cnoeabs.peaks (4.50, 3.77, 50.49 ppm; 4.61 A): 3 out of 6 assignments used, quality = 1.00: * HA PRO 30 + HD2 PRO 30 OK 100 100 - 100 - 3.6=100 HA LEU 91 + HD2 PRO 30 OK 47 100 - 47 - 3.9/6596=8, 3.0/7584=7...(14) HA ARG 71 + HD2 PRO 30 OK 47 87 - 54 - 2367/3.0=8, 2381/2.3=6...(27) HA LEU 101 - HD2 PRO 30 OK 24 97 - 25 - 2367/3.0=5, 2381/2.3=4...(8) HA PRO 70 - HD2 PRO 30 lone 7 87 - 8 - 2367/3.0=1, 2374/3.0=1 HB THR 23 - HD2 PRO 30 lone 6 95 - 6 - 4631/6587=1 Peak 2347 from cnoeabs.peaks (2.13, 3.77, 50.49 ppm; 4.65 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 30 + HD2 PRO 30 OK 100 100 - 100 - 3.0=100 HB VAL 115 + HD2 PRO 30 OK 67 100 - 67 - 2.1/7972=17, 2354/1.8=10...(18) HG2 GLU 69 - HD2 PRO 30 OK 43 95 - 45 - 3780/3.0=7, 2354/1.8=6...(17) HB3 GLU 15 - HD2 PRO 30 OK 36 100 - 36 - 2354/1.8=5, 2382/2.3=5...(12) HG12 ILE 80 - HD2 PRO 30 OK 19 65 - 29 - 2354/1.8=3, 2382/2.3=2...(16) Peak 2348 from cnoeabs.peaks (1.95, 3.77, 50.49 ppm; 4.58 A): 3 out of 15 assignments used, quality = 1.00: * HB3 PRO 30 + HD2 PRO 30 OK 100 100 - 100 - 3.0=100 HB3 LYS 119 + HD2 PRO 30 OK 50 100 - 50 - 2380/1.8=7, 2379=5...(21) HB3 GLU 69 + HD2 PRO 30 OK 45 100 - 45 - 3775/3.0=8, 3.0/2347=5...(17) HB2 GLU 38 - HD2 PRO 30 OK 44 99 - 45 - 2706=5, 3.8/927=4...(18) HB2 ARG 71 - HD2 PRO 30 OK 43 68 - 63 - 3.0/2346=6, 3.0/2350=4...(35) HB2 LYS 109 - HD2 PRO 30 OK 29 97 - 30 - 4897/2.3=3, 2355/1.8=3...(17) HG LEU 45 - HD2 PRO 30 OK 23 73 - 31 - ~8248=5, ~8246=3...(16) HB ILE 80 - HD2 PRO 30 OK 19 71 - 26 - 3.0/2347=2, 2355/1.8=2...(13) HB2 ARG 85 - HD2 PRO 30 OK 16 100 - 16 - 2706=2, 1.8/2706=2...(6) HB3 ARG 85 - HD2 PRO 30 OK 16 100 - 16 - 2706=2, 1.8/2706=2...(6) HG LEU 58 - HD2 PRO 30 OK 13 92 - 14 - 5.0/7069=2, ~7061=2...(4) HB2 LEU 21 - HD2 PRO 30 OK 10 81 - 13 - ~8249=1, 3.1/6420=1, 2355/1.8=1 HB2 GLU 64 - HD2 PRO 30 lone 7 97 - 7 - HB3 GLU 64 - HD2 PRO 30 lone 7 96 - 7 - HB3 GLU 94 - HD2 PRO 30 lone 4 99 - 4 - Peak 2349 from cnoeabs.peaks (1.61, 3.77, 50.49 ppm; 3.80 A): 3 out of 17 assignments used, quality = 1.00: * HG2 PRO 30 + HD2 PRO 30 OK 100 100 - 100 - 2.3=100 HD2 LYS 32 + HD2 PRO 30 OK 54 100 - 55 - 5.0/6608=6, ~6605=4...(34) HD3 LYS 32 + HD2 PRO 30 OK 54 100 - 55 - 5.0/6608=6, ~6605=4...(34) HB3 LYS 32 - HD2 PRO 30 OK 42 68 - 63 - 3.0/6608=11, ~6609=7...(32) HG LEU 51 - HD2 PRO 30 OK 32 81 - 40 - 2.1/6597=8, ~6600=6...(16) HB3 GLN 42 - HD2 PRO 30 OK 29 76 - 39 - 4.0/1593=4, 1.8/6595=3...(20) HG LEU 101 - HD2 PRO 30 OK 29 99 - 29 - ~8249=3, ~8247=2...(17) HD3 LYS 119 - HD2 PRO 30 OK 24 90 - 27 - 3.7/2348=2, 2356/1.8=2...(9) HD2 LYS 119 - HD2 PRO 30 OK 23 89 - 27 - 3.7/2348=2, 2356/1.8=2...(9) HB3 LEU 126 - HD2 PRO 30 OK 20 97 - 20 - 3.0/2386=2, 3.1/6595=2...(6) HB2 LEU 126 - HD2 PRO 30 OK 20 97 - 20 - 3.0/2386=2, 3.1/6595=2...(7) HG LEU 126 - HD2 PRO 30 OK 20 87 - 23 - 2387/1.8=3, 2386=3...(7) HD3 LYS 31 - HD2 PRO 30 OK 16 99 - 16 - 2370/3.0=1, 2363/3.6=1 HD2 LYS 31 - HD2 PRO 30 OK 16 99 - 16 - 2370/3.0=1, 2363/3.6=1 HB2 LEU 59 - HD2 PRO 30 OK 15 97 - 15 - 3.2/7083=4, 3.2/7086=3 HG2 ARG 53 - HD2 PRO 30 OK 11 100 - 11 - HG12 ILE 63 - HD2 PRO 30 lone 7 97 - 7 - Peak 2350 from cnoeabs.peaks (1.76, 3.77, 50.49 ppm; 3.87 A): 4 out of 17 assignments used, quality = 1.00: * HG3 PRO 30 + HD2 PRO 30 OK 100 100 - 100 - 2.3=100 HG3 ARG 71 + HD2 PRO 30 OK 58 99 - 58 - 2394/1.8=6, 2393=5...(37) HG2 ARG 71 + HD2 PRO 30 OK 48 83 - 58 - 2394/1.8=5, 1.8/2393=4...(37) HB2 LYS 32 + HD2 PRO 30 OK 47 76 - 62 - 3.0/6608=12, ~6609=7...(29) HG LEU 117 - HD2 PRO 30 OK 36 100 - 36 - 2.1/7086=6, 2394/1.8=4...(16) HB2 LEU 117 - HD2 PRO 30 OK 35 97 - 36 - 3.1/7086=5, 2357/1.8=3...(18) HG2 GLN 42 - HD2 PRO 30 OK 31 100 - 31 - 3.0/6595=3, 5.2/1593=3...(15) HB2 LEU 91 - HD2 PRO 30 OK 27 60 - 45 - 3.1/6596=7, 1.8/7585=5...(21) HB2 LEU 45 - HD2 PRO 30 OK 23 97 - 24 - ~8248=3, 2357/1.8=2...(11) HD3 LYS 109 - HD2 PRO 30 OK 20 100 - 20 - 2357/1.8=2, 2371/3.0=1...(7) HD2 LYS 109 - HD2 PRO 30 OK 20 100 - 20 - 2357/1.8=2, 2371/3.0=1...(7) HB2 GLU 75 - HD2 PRO 30 OK 16 96 - 17 - 7319/3.6=3, 3.0/7308=2...(7) HB2 ARG 53 - HD2 PRO 30 poor 8 78 - 10 - 3133/2.3=1 HB3 LYS 46 - HD2 PRO 30 lone 8 96 - 8 - HB2 PRO 37 - HD2 PRO 30 lone 6 76 - 9 - 3.9/927=3 HB VAL 66 - HD2 PRO 30 lone 5 90 - 6 - HB3 GLU 56 - HD2 PRO 30 lone 2 60 - 3 - Peak 2351 from cnoeabs.peaks (3.77, 3.77, 50.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 30 + HD2 PRO 30 OK 100 100 - 100 Peak 2352 from cnoeabs.peaks (3.69, 3.77, 50.49 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 30 + HD2 PRO 30 OK 100 100 - 100 - 1.8=100 HB2 TRP 20 - HD2 PRO 30 OK 19 92 - 21 - 2387/2.3=4, 2373/3.0=3...(7) HA2 GLY 104 - HD2 PRO 30 lone 6 73 - 9 - 2373/3.0=1, 2387/2.3=1...(4) Peak 2354 from cnoeabs.peaks (2.13, 3.69, 50.49 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 30 + HD3 PRO 30 OK 100 100 - 100 - 3.0=100 HB VAL 115 + HD3 PRO 30 OK 68 100 - 68 - ~7972=13, 2347/1.8=10...(19) HG2 GLU 69 - HD3 PRO 30 OK 43 95 - 46 - 3780/3.0=7, 2347/1.8=6...(17) HB3 GLU 15 - HD3 PRO 30 OK 36 100 - 36 - 2347/1.8=5, 2382/2.3=5...(12) HG12 ILE 80 - HD3 PRO 30 OK 19 65 - 28 - 2347/1.8=3, 2382/2.3=2...(16) Peak 2355 from cnoeabs.peaks (1.95, 3.69, 50.49 ppm; 4.53 A): 2 out of 15 assignments used, quality = 1.00: * HB3 PRO 30 + HD3 PRO 30 OK 100 100 - 100 - 3.0=100 HB3 LYS 119 + HD3 PRO 30 OK 50 100 - 50 - 2380=9, 2369/3.0=5...(22) HB3 GLU 69 - HD3 PRO 30 OK 45 100 - 45 - 3775/3.0=8, 3.0/2354=5...(17) HB2 ARG 71 - HD3 PRO 30 OK 41 68 - 60 - 3.0/2394=6, 2380=5...(33) HB2 GLU 38 - HD3 PRO 30 OK 38 99 - 39 - 3.0/2358=6, 2706/1.8=5...(16) HB2 LYS 109 - HD3 PRO 30 OK 29 97 - 30 - 4897/2.3=3, 2348/1.8=3...(17) HG LEU 45 - HD3 PRO 30 OK 22 73 - 30 - ~8248=5, ~8246=3...(16) HB ILE 80 - HD3 PRO 30 OK 18 71 - 26 - 3.0/2354=2, 4073/3.0=2...(13) HB2 ARG 85 - HD3 PRO 30 OK 14 100 - 14 - 2706/1.8=2, ~2706=1...(6) HB3 ARG 85 - HD3 PRO 30 OK 14 100 - 14 - 2706/1.8=2, ~2706=1...(6) HB2 LEU 21 - HD3 PRO 30 OK 12 81 - 15 - 3.8/57=3, ~8249=1, ~6420=1 HG LEU 58 - HD3 PRO 30 OK 11 92 - 12 - ~7061=1, 2348/1.8=1, ~8011=1 HB2 GLU 64 - HD3 PRO 30 lone 7 97 - 7 - HB3 GLU 64 - HD3 PRO 30 lone 7 96 - 7 - HB3 GLU 94 - HD3 PRO 30 lone 3 99 - 3 - Peak 2356 from cnoeabs.peaks (1.61, 3.69, 50.49 ppm; 3.82 A): 3 out of 17 assignments used, quality = 1.00: * HG2 PRO 30 + HD3 PRO 30 OK 100 100 - 100 - 2.3=100 HD2 LYS 32 + HD3 PRO 30 OK 55 100 - 55 - 5.0/6609=7, ~6605=5...(35) HD3 LYS 32 + HD3 PRO 30 OK 55 100 - 55 - 5.0/6609=7, ~6605=5...(35) HB3 LYS 32 - HD3 PRO 30 OK 43 68 - 63 - 3.0/6609=12, ~6608=7...(32) HG LEU 51 - HD3 PRO 30 OK 32 81 - 40 - 2.1/6600=8, ~6597=6...(16) HB3 GLN 42 - HD3 PRO 30 OK 28 76 - 37 - 2387=4, 1.8/6598=4...(19) HG LEU 101 - HD3 PRO 30 OK 27 99 - 27 - ~8249=3, ~8247=2...(16) HD3 LYS 119 - HD3 PRO 30 OK 25 90 - 28 - 3.7/2380=4, 2349/1.8=2...(9) HD2 LYS 119 - HD3 PRO 30 OK 24 89 - 28 - 3.7/2380=4, 2349/1.8=2...(9) HB3 LEU 126 - HD3 PRO 30 OK 20 97 - 21 - 3.0/2387=3, 3.1/6598=2...(6) HB2 LEU 126 - HD3 PRO 30 OK 20 97 - 21 - 3.0/2387=3, 3.1/6598=2...(7) HG LEU 126 - HD3 PRO 30 OK 20 87 - 23 - 2387=4, 2386/1.8=2...(7) HD3 LYS 31 - HD3 PRO 30 OK 16 99 - 16 - 2370/3.0=1, 2363/3.6=1 HD2 LYS 31 - HD3 PRO 30 OK 16 99 - 16 - 2370/3.0=1, 2363/3.6=1 HB2 LEU 59 - HD3 PRO 30 OK 13 97 - 13 - ~7083=2, ~7086=2, 2349/1.8=1 HG2 ARG 53 - HD3 PRO 30 OK 10 100 - 10 - HG12 ILE 63 - HD3 PRO 30 lone 6 97 - 7 - Peak 2357 from cnoeabs.peaks (1.76, 3.69, 50.49 ppm; 3.75 A): 2 out of 17 assignments used, quality = 1.00: * HG3 PRO 30 + HD3 PRO 30 OK 100 100 - 100 - 2.3=100 HG3 ARG 71 + HD3 PRO 30 OK 52 99 - 52 - 2394=7, 1.8/2394=4...(29) HB2 LYS 32 - HD3 PRO 30 OK 45 76 - 59 - 3.0/6609=12, ~6608=6...(29) HG2 ARG 71 - HD3 PRO 30 OK 43 83 - 52 - 1.8/2394=6, 2394=6...(30) HG LEU 117 - HD3 PRO 30 OK 35 100 - 35 - 2394=5, ~7086=4...(17) HB2 LEU 117 - HD3 PRO 30 OK 33 97 - 34 - 3.0/2394=3, ~7086=3...(18) HG2 GLN 42 - HD3 PRO 30 OK 27 100 - 28 - 3.0/6598=3, 3.0/2387=2...(13) HB2 LEU 91 - HD3 PRO 30 OK 24 60 - 40 - 3.1/6599=5, ~6596=4...(21) HB2 LEU 45 - HD3 PRO 30 OK 22 97 - 23 - ~8248=2, 2350/1.8=2...(10) HD3 LYS 109 - HD3 PRO 30 OK 18 100 - 18 - 2350/1.8=1, 2371/3.0=1...(6) HD2 LYS 109 - HD3 PRO 30 OK 18 100 - 18 - 2350/1.8=1, 2371/3.0=1...(6) HB2 GLU 75 - HD3 PRO 30 OK 12 96 - 13 - 7319/3.6=2, ~7308=1...(6) HB2 ARG 53 - HD3 PRO 30 lone 7 78 - 9 - HB3 LYS 46 - HD3 PRO 30 lone 6 96 - 7 - HB VAL 66 - HD3 PRO 30 lone 5 90 - 5 - HB2 PRO 37 - HD3 PRO 30 lone 4 76 - 5 - HB3 GLU 56 - HD3 PRO 30 lone 1 60 - 2 - Peak 2358 from cnoeabs.peaks (3.77, 3.69, 50.49 ppm; 2.97 A): 1 out of 11 assignments used, quality = 1.00: * HD2 PRO 30 + HD3 PRO 30 OK 100 100 - 100 - 1.8=100 HA GLU 38 - HD3 PRO 30 OK 21 99 - 22 - 2386/2.3=3, 2701/3.0=3...(8) HB2 SER 72 - HD3 PRO 30 OK 10 97 - 10 - 7286/2.3=3, 2372/3.0=1...(5) HA CYS 87 - HD3 PRO 30 lone 6 98 - 6 - HB3 SER 13 - HD3 PRO 30 lone 6 100 - 6 - HB3 SER 74 - HD3 PRO 30 lone 5 92 - 6 - HB2 SER 74 - HD3 PRO 30 lone 5 90 - 6 - HA LEU 54 - HD3 PRO 30 lone 5 85 - 5 - HB3 SER 35 - HD3 PRO 30 lone 4 99 - 4 - HA GLU 73 - HD3 PRO 30 lone 2 76 - 3 - HA2 GLY 61 - HD3 PRO 30 lone 1 63 - 1 - Peak 2359 from cnoeabs.peaks (3.69, 3.69, 50.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 30 + HD3 PRO 30 OK 100 100 - 100 Peak 2360 from cnoeabs.peaks (4.50, 4.50, 62.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 30 + HA PRO 30 OK 100 100 - 100 Peak 2361 from cnoeabs.peaks (2.13, 4.50, 62.52 ppm; 2.99 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 30 + HA PRO 30 OK 100 100 - 100 - 2.3=100 HB VAL 115 - HA PRO 30 OK 21 100 - 21 - 2375/2.3=4, 2354/3.6=3...(9) HG2 GLU 69 - HA PRO 30 OK 20 95 - 21 - 3780/2.3=5, 3.0/2362=2...(10) HB3 GLU 15 - HA PRO 30 OK 14 100 - 14 - 2375/2.3=2, ~1913=2...(9) HG12 ILE 80 - HA PRO 30 poor 7 65 - 11 - 2375/2.3=1 Peak 2362 from cnoeabs.peaks (1.95, 4.50, 62.52 ppm; 3.25 A): 1 out of 15 assignments used, quality = 1.00: * HB3 PRO 30 + HA PRO 30 OK 100 100 - 100 - 2.3=100 HB3 LYS 119 - HA PRO 30 OK 26 100 - 26 - 2369/2.3=4, 2374=4...(10) HB2 ARG 71 - HA PRO 30 OK 26 68 - 38 - 4.3/6581=4, 1.8/3855=3...(19) HB3 GLU 69 - HA PRO 30 OK 25 100 - 25 - 3775/2.3=5, 3.0/2361=3...(12) HB2 GLU 38 - HA PRO 30 OK 18 99 - 18 - 3.0/2365=3, 2369/2.3=2...(10) HB2 LYS 109 - HA PRO 30 OK 13 97 - 13 - 2369/2.3=2, 4897/3.8=1...(4) HG LEU 45 - HA PRO 30 poor 9 73 - 12 - 3.0/8245=2, 2369/2.3=1 HB ILE 80 - HA PRO 30 poor 9 71 - 12 - 3.0/2361=1, 2369/2.3=1 HB2 ARG 85 - HA PRO 30 lone 6 100 - 6 - HB3 ARG 85 - HA PRO 30 lone 6 100 - 6 - HG LEU 58 - HA PRO 30 lone 5 92 - 5 - 113/3.6=1 HB2 LEU 21 - HA PRO 30 lone 3 81 - 4 - HB2 GLU 64 - HA PRO 30 lone 3 97 - 3 - HB3 GLU 64 - HA PRO 30 lone 3 96 - 3 - HB3 GLU 94 - HA PRO 30 lone 2 99 - 2 - Peak 2363 from cnoeabs.peaks (1.61, 4.50, 62.52 ppm; 4.18 A): 1 out of 17 assignments used, quality = 1.00: * HG2 PRO 30 + HA PRO 30 OK 100 100 - 100 - 3.8=100 HG LEU 101 - HA PRO 30 OK 38 99 - 38 - 3.0/8245=7, 2.1/4673=6...(14) HD2 LYS 32 - HA PRO 30 OK 37 100 - 37 - 5.9/6581=7, 2370/2.3=4...(17) HD3 LYS 32 - HA PRO 30 OK 37 100 - 37 - 5.9/6581=7, 2370/2.3=4...(17) HB3 LYS 32 - HA PRO 30 OK 26 68 - 38 - 4.0/6581=11, 2507/3.8=4...(15) HD3 LYS 119 - HA PRO 30 OK 24 90 - 27 - 3.7/2362=3, 2370/2.3=2...(17) HD2 LYS 119 - HA PRO 30 OK 24 89 - 27 - 3.7/2362=3, 2370/2.3=2...(17) HD2 LYS 31 - HA PRO 30 OK 23 99 - 23 - 6.0/111=10, 3.4/3855=2...(4) HD3 LYS 31 - HA PRO 30 OK 23 99 - 23 - 6.0/111=10, 3.4/3855=2...(4) HG LEU 51 - HA PRO 30 OK 22 81 - 27 - ~6604=6, ~6603=6...(9) HB3 GLN 42 - HA PRO 30 OK 15 76 - 19 - 2387/3.6=3, 2382/2.3=2...(8) HG LEU 126 - HA PRO 30 OK 12 87 - 14 - 2387/3.6=3, 2382/2.3=2...(6) HB3 LEU 126 - HA PRO 30 OK 12 97 - 12 - 2370/2.3=1, 3.0/2381=1...(5) HB2 LEU 126 - HA PRO 30 OK 12 97 - 12 - 2370/2.3=1, 3.0/2381=1...(5) HG2 ARG 53 - HA PRO 30 lone 8 100 - 8 - HB2 LEU 59 - HA PRO 30 lone 7 97 - 7 - 897/3.6=1 HG12 ILE 63 - HA PRO 30 lone 4 97 - 4 - Peak 2364 from cnoeabs.peaks (1.76, 4.50, 62.52 ppm; 3.73 A): 2 out of 17 assignments used, quality = 0.96: * HG3 PRO 30 + HA PRO 30 OK 91 100 - 91 - 3.8=91, 115/3.6=3 HG3 ARG 71 + HA PRO 30 OK 50 99 - 51 - 4.7/6581=4, 2371/2.3=4...(26) HG2 ARG 71 - HA PRO 30 OK 41 83 - 50 - 4.7/6581=4, 2371/2.3=4...(26) HB2 LYS 32 - HA PRO 30 OK 26 76 - 34 - 4.0/6581=9, 2371/2.3=3...(13) HB2 LEU 91 - HA PRO 30 OK 23 60 - 39 - 1.8/8245=9, 3.1/4401=6...(14) HB2 LEU 45 - HA PRO 30 OK 17 97 - 17 - 1.8/8245=3, 2888/2.3=2...(8) HB2 GLU 75 - HA PRO 30 OK 16 96 - 17 - 7319=3, 4.0/6581=3...(5) HG LEU 117 - HA PRO 30 OK 16 100 - 16 - 2394/3.6=2, ~8035=2...(7) HD3 LYS 109 - HA PRO 30 OK 15 100 - 15 - 2371/2.3=1, 115/3.6=1...(4) HD2 LYS 109 - HA PRO 30 OK 15 100 - 15 - 2371/2.3=1, 115/3.6=1...(4) HB2 LEU 117 - HA PRO 30 OK 15 97 - 15 - 2371/2.3=2, ~8035=2...(6) HG2 GLN 42 - HA PRO 30 OK 13 100 - 13 - 2371/2.3=2, 2350/3.6=1...(5) HB3 LYS 46 - HA PRO 30 lone 5 96 - 5 - HB2 ARG 53 - HA PRO 30 lone 5 78 - 6 - HB2 PRO 37 - HA PRO 30 lone 4 76 - 6 - 3.9/5512=2 HB VAL 66 - HA PRO 30 lone 3 90 - 4 - HB3 GLU 56 - HA PRO 30 lone 1 60 - 1 - Peak 2365 from cnoeabs.peaks (3.77, 4.50, 62.52 ppm; 4.64 A): 1 out of 11 assignments used, quality = 1.00: * HD2 PRO 30 + HA PRO 30 OK 100 100 - 100 - 3.6=100 HA GLU 38 - HA PRO 30 OK 40 99 - 41 - 2372/2.3=7, 2701/2.3=6...(13) HB2 SER 72 - HA PRO 30 OK 25 97 - 26 - 3.9/6581=8, 7286/3.8=7...(6) HB3 SER 74 - HA PRO 30 OK 14 92 - 15 - 4.6/6581=4, 2372/2.3=2...(7) HA CYS 87 - HA PRO 30 OK 14 98 - 14 - 2372/2.3=2, 2358/3.6=2...(5) HB2 SER 74 - HA PRO 30 OK 14 90 - 15 - 4.6/6581=4, 2372/2.3=2...(7) HB3 SER 13 - HA PRO 30 OK 11 100 - 11 - 2372/2.3=2, 2358/3.6=2...(5) HB3 SER 35 - HA PRO 30 lone 8 99 - 8 - 2372/2.3=1, 2358/3.6=1 HA LEU 54 - HA PRO 30 lone 7 85 - 9 - 2372/2.3=2, 2379/2.3=1...(4) HA GLU 73 - HA PRO 30 lone 5 76 - 6 - 6084/3.6=1 HA2 GLY 61 - HA PRO 30 lone 1 63 - 2 - Peak 2367 from cnoeabs.peaks (4.50, 2.13, 31.87 ppm; 3.29 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 30 + HB2 PRO 30 OK 100 100 - 100 - 2.3=100 HA ARG 71 - HB2 PRO 30 OK 34 87 - 39 - 3840/1.8=4, 3.6/6582=4...(16) HA LEU 91 - HB2 PRO 30 OK 27 100 - 27 - 2374/1.8=3, 2346/3.0=3...(12) HA LEU 101 - HB2 PRO 30 OK 21 97 - 21 - 2374/1.8=3, ~8245=2...(11) HA PRO 70 - HB2 PRO 30 lone 6 87 - 7 - 4.8/3763=1 HB THR 23 - HB2 PRO 30 lone 4 95 - 4 - Peak 2368 from cnoeabs.peaks (2.13, 2.13, 31.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 30 + HB2 PRO 30 OK 100 100 - 100 Peak 2369 from cnoeabs.peaks (1.95, 2.13, 31.87 ppm; 2.75 A): 1 out of 15 assignments used, quality = 1.00: * HB3 PRO 30 + HB2 PRO 30 OK 100 100 - 100 - 1.8=100 HB3 GLU 69 - HB2 PRO 30 OK 27 100 - 28 - 3775=5, 1.8/3769=3...(13) HB3 LYS 119 - HB2 PRO 30 OK 26 100 - 26 - 2375=5, 2362/2.3=2...(10) HB2 ARG 71 - HB2 PRO 30 OK 23 68 - 34 - 3.0/2367=3, 2375=3...(14) HB2 GLU 38 - HB2 PRO 30 OK 18 99 - 18 - 3.0/2372=2, 2362/2.3=2...(7) HB2 LYS 109 - HB2 PRO 30 OK 13 97 - 13 - 4897/2.3=1, 2362/2.3=1 HG LEU 45 - HB2 PRO 30 poor 10 73 - 13 - ~8248=1 HB ILE 80 - HB2 PRO 30 poor 9 71 - 12 - HB2 ARG 85 - HB2 PRO 30 lone 6 100 - 6 - HB3 ARG 85 - HB2 PRO 30 lone 6 100 - 6 - HG LEU 58 - HB2 PRO 30 lone 5 92 - 6 - HB2 LEU 21 - HB2 PRO 30 lone 4 81 - 5 - HB2 GLU 64 - HB2 PRO 30 lone 4 97 - 4 - HB3 GLU 64 - HB2 PRO 30 lone 3 96 - 4 - HB3 GLU 94 - HB2 PRO 30 lone 2 99 - 1 - Peak 2370 from cnoeabs.peaks (1.61, 2.13, 31.87 ppm; 3.67 A): 3 out of 17 assignments used, quality = 1.00: * HG2 PRO 30 + HB2 PRO 30 OK 100 100 - 100 - 2.3=100 HD2 LYS 32 + HB2 PRO 30 OK 53 100 - 54 - 5.9/6611=7, ~6605=4...(34) HD3 LYS 32 + HB2 PRO 30 OK 53 100 - 54 - 5.9/6611=7, ~6605=4...(34) HB3 LYS 32 - HB2 PRO 30 OK 42 68 - 62 - 4.0/6611=13, ~6607=5...(33) HG LEU 101 - HB2 PRO 30 OK 37 99 - 37 - ~8245=3, ~8034=3...(23) HG LEU 51 - HB2 PRO 30 OK 31 81 - 39 - 2.1/6603=7, ~6604=5...(15) HD3 LYS 119 - HB2 PRO 30 OK 27 90 - 30 - 3.7/2369=3, ~5215=2...(14) HD2 LYS 119 - HB2 PRO 30 OK 26 89 - 30 - 3.7/2369=3, ~5215=2...(14) HB3 GLN 42 - HB2 PRO 30 OK 25 76 - 33 - 2382=3, 2387/3.0=2...(16) HD2 LYS 31 - HB2 PRO 30 OK 22 99 - 22 - 2446/5.0=4, 114/3.9=3...(4) HD3 LYS 31 - HB2 PRO 30 OK 22 99 - 22 - 2446/5.0=4, 114/3.9=3...(4) HB3 LEU 126 - HB2 PRO 30 OK 18 97 - 18 - 3.0/2382=2, 2356/3.0=1 HB2 LEU 126 - HB2 PRO 30 OK 18 97 - 18 - 3.0/2382=2, 2356/3.0=1 HG LEU 126 - HB2 PRO 30 OK 17 87 - 20 - 2382=3, 2387/3.0=2...(5) HB2 LEU 59 - HB2 PRO 30 OK 12 97 - 12 - ~7083=1, ~7086=1, 2401/5.0=1 HG2 ARG 53 - HB2 PRO 30 OK 11 100 - 10 - HG12 ILE 63 - HB2 PRO 30 lone 6 97 - 6 - Peak 2371 from cnoeabs.peaks (1.76, 2.13, 31.87 ppm; 3.62 A): 3 out of 17 assignments used, quality = 1.00: * HG3 PRO 30 + HB2 PRO 30 OK 100 100 - 100 - 2.3=100 HG3 ARG 71 + HB2 PRO 30 OK 63 99 - 64 - 2389=6, 2364/2.3=4...(38) HG2 ARG 71 + HB2 PRO 30 OK 53 83 - 64 - 1.8/2389=4, 2389=4...(38) HB2 LYS 32 - HB2 PRO 30 OK 45 76 - 59 - 4.0/6611=13, ~6607=5...(32) HG LEU 117 - HB2 PRO 30 OK 32 100 - 32 - 2389=3, 2394/3.0=3...(13) HB2 LEU 117 - HB2 PRO 30 OK 31 97 - 32 - 2357/3.0=2, ~8035=2...(15) HB2 LEU 91 - HB2 PRO 30 OK 27 60 - 45 - ~8245=5, 3.0/2367=4...(24) HG2 GLN 42 - HB2 PRO 30 OK 25 100 - 25 - 2846/2.3=2, ~2855=2...(13) HB2 LEU 45 - HB2 PRO 30 OK 25 97 - 25 - ~8248=2, 2888/1.8=2...(11) HD3 LYS 109 - HB2 PRO 30 OK 21 100 - 21 - 4942/1.8=1, 3.9/2369=1...(8) HD2 LYS 109 - HB2 PRO 30 OK 21 100 - 21 - 4942/1.8=1, 3.9/2369=1...(8) HB2 GLU 75 - HB2 PRO 30 OK 19 96 - 20 - 4.0/7304=3, 7319/2.3=3...(6) HB2 ARG 53 - HB2 PRO 30 lone 7 78 - 9 - HB3 LYS 46 - HB2 PRO 30 lone 7 96 - 7 - HB2 PRO 37 - HB2 PRO 30 lone 7 76 - 9 - 3.9/5513=2, 6654/8489=1 HB VAL 66 - HB2 PRO 30 lone 4 90 - 5 - HB3 GLU 56 - HB2 PRO 30 lone 1 60 - 2 - Peak 2372 from cnoeabs.peaks (3.77, 2.13, 31.87 ppm; 4.33 A): 2 out of 11 assignments used, quality = 1.00: * HD2 PRO 30 + HB2 PRO 30 OK 100 100 - 100 - 3.0=100 HA GLU 38 + HB2 PRO 30 OK 47 99 - 48 - 2701/1.8=6, 2386/2.3=6...(23) HB2 SER 72 - HB2 PRO 30 OK 27 97 - 28 - 7286/2.3=8, 3.9/6582=6...(8) HB3 SER 74 - HB2 PRO 30 OK 16 92 - 17 - 4.6/7304=4, 2365/2.3=2...(7) HB2 SER 74 - HB2 PRO 30 OK 15 90 - 17 - 4.6/7304=4, 2365/2.3=2...(8) HB3 SER 13 - HB2 PRO 30 OK 13 100 - 13 - 2358/3.0=2, 4.0/5513=2...(6) HA CYS 87 - HB2 PRO 30 OK 13 98 - 13 - 2365/2.3=2, 2358/3.0=2...(5) HA LEU 54 - HB2 PRO 30 OK 11 85 - 12 - 2386/2.3=1, 2379/1.8=1 HB3 SER 35 - HB2 PRO 30 lone 8 99 - 8 - 2365/2.3=1, 2358/3.0=1 HA GLU 73 - HB2 PRO 30 lone 6 76 - 8 - HA2 GLY 61 - HB2 PRO 30 lone 1 63 - 2 - Peak 2373 from cnoeabs.peaks (3.69, 2.13, 31.87 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 30 + HB2 PRO 30 OK 100 100 - 100 - 3.0=100 HB2 TRP 20 - HB2 PRO 30 OK 39 92 - 42 - 2387/2.3=7, 2352/3.0=7...(13) HA2 GLY 104 - HB2 PRO 30 OK 16 73 - 21 - ~8568=4, 2380/1.8=3...(8) Peak 2374 from cnoeabs.peaks (4.50, 1.95, 31.87 ppm; 3.41 A): 1 out of 18 assignments used, quality = 1.00: * HA PRO 30 + HB3 PRO 30 OK 100 100 - 100 - 2.3=100 HA ARG 71 - HB3 PRO 30 OK 36 87 - 42 - 2367/1.8=7, 3840=4...(17) HA LEU 91 - HB3 PRO 30 OK 32 100 - 32 - 2367/1.8=5, 2346/3.0=3...(12) HA ARG 71 - HB2 ARG 71 OK 31 31 - 100 - 3.0=100 HA PRO 30 - HB3 LYS 119 OK 26 88 - 29 - 2362=5, 2.3/2369=4...(13) HA LEU 101 - HB3 PRO 30 OK 25 97 - 25 - 2367/1.8=4, ~8245=3...(10) HA PRO 30 - HB2 ARG 71 OK 16 41 - 40 - 2362=5, 6581/4.3=4...(19) HA PRO 70 - HB3 PRO 30 lone 8 87 - 9 - 3.5/1108=1, 4.8/3762=1 HA PRO 70 - HB2 ARG 71 poor 7 31 - 23 - 3.5/1108=6, 3855/1.8=3...(9) HA LEU 101 - HB3 LYS 119 lone 7 83 - 8 - 4.0/7715=2 HA LEU 91 - HB2 ARG 71 poor 5 40 - 13 - 4374/1.8=3, 4374/3.0=1...(4) HB THR 23 - HB3 PRO 30 lone 4 95 - 5 - HA LEU 101 - HB2 ARG 71 poor 4 37 - 12 - 3855/1.8=1, 1107/4.0=1 HA LEU 91 - HB3 LYS 119 lone 4 87 - 5 - 3.9/8033=1 HB THR 23 - HB3 LYS 119 lone 3 79 - 4 - HA ARG 71 - HB3 LYS 119 lone 1 71 - 2 - HA PRO 70 - HB3 LYS 119 lone 1 71 - 2 - HB THR 23 - HB2 ARG 71 lone 0 35 - 1 - Peak 2375 from cnoeabs.peaks (2.13, 1.95, 31.87 ppm; 2.71 A): 1 out of 15 assignments used, quality = 1.00: * HB2 PRO 30 + HB3 PRO 30 OK 100 100 - 100 - 1.8=100 HB VAL 115 - HB3 PRO 30 OK 29 100 - 29 - 2382/2.3=3, 2361/2.3=3...(15) HG2 GLU 69 - HB3 PRO 30 OK 25 95 - 27 - 3780=6, 2361/2.3=3...(12) HB2 PRO 30 - HB3 LYS 119 OK 22 88 - 25 - 2369=5, 2.3/2362=2...(10) HB3 GLU 15 - HB3 PRO 30 OK 16 100 - 16 - 2361/2.3=2, 2382/2.3=2...(9) HB2 PRO 30 - HB2 ARG 71 OK 14 41 - 34 - 2369=4, 2367/3.0=3...(12) HB VAL 115 - HB3 LYS 119 OK 12 88 - 13 - ~8030=2, ~7965=2...(6) HG12 ILE 80 - HB3 PRO 30 poor 8 65 - 13 - 2361/2.3=1 HG12 ILE 80 - HB3 LYS 119 poor 5 52 - 10 - ~8457=2, 2.1/8456=1...(4) HB3 GLU 15 - HB3 LYS 119 lone 3 88 - 4 - HG2 GLU 69 - HB3 LYS 119 lone 2 79 - 2 - HB VAL 115 - HB2 ARG 71 lone 0 41 - 1 - HB3 GLU 15 - HB2 ARG 71 lone 0 41 - 1 - HG2 GLU 69 - HB2 ARG 71 lone 0 35 - 1 - HG12 ILE 80 - HB2 ARG 71 lone 0 21 - 0 - Peak 2376 from cnoeabs.peaks (1.95, 1.95, 31.87 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 30 + HB3 PRO 30 OK 100 100 - 100 HB3 LYS 119 + HB3 LYS 119 OK 87 87 - 100 HB2 ARG 71 - HB2 ARG 71 OK 22 22 - 100 Peak 2377 from cnoeabs.peaks (1.61, 1.95, 31.87 ppm; 3.43 A): 5 out of 51 assignments used, quality = 1.00: * HG2 PRO 30 + HB3 PRO 30 OK 100 100 - 100 - 2.3=100 HD3 LYS 119 + HB3 LYS 119 OK 70 75 - 93 - 3.7=80, 5207/1.8=6...(34) HD2 LYS 119 + HB3 LYS 119 OK 68 73 - 93 - 3.7=80, 5207/1.8=6...(34) HD3 LYS 32 + HB3 PRO 30 OK 48 100 - 48 - 5.9/6610=4, ~6605=3...(28) HD2 LYS 32 + HB3 PRO 30 OK 48 100 - 48 - 5.9/6610=4, ~6605=3...(28) HB3 LYS 32 - HB3 PRO 30 OK 38 68 - 56 - 4.0/6610=9, ~6607=4...(32) HD3 LYS 31 - HB3 LYS 119 OK 34 85 - 41 - 2458/1.8=2, 3.0/5223=2...(23) HD2 LYS 31 - HB3 LYS 119 OK 34 85 - 41 - 2458/1.8=2, 3.0/5223=2...(23) HG LEU 101 - HB3 PRO 30 OK 32 99 - 32 - 2.1/7715=3, ~8245=3...(20) HG2 PRO 30 - HB3 LYS 119 OK 29 88 - 33 - 2383=4, 2.3/2369=4...(14) HG LEU 51 - HB3 PRO 30 OK 27 81 - 34 - 2.1/6604=6, ~6603=4...(15) HD3 LYS 119 - HB3 PRO 30 OK 25 90 - 28 - 3.7/5203=3, 3.0/5223=2...(13) HD2 LYS 119 - HB3 PRO 30 OK 24 89 - 28 - 3.7/5203=3, 3.0/5223=2...(13) HB2 LEU 59 - HB3 LYS 119 OK 22 82 - 26 - 3.7/275=3, ~7080=3...(12) HB3 GLN 42 - HB3 PRO 30 OK 21 76 - 28 - 2387/3.0=2, 2382/1.8=2...(10) HD3 LYS 32 - HB3 LYS 119 OK 20 88 - 23 - ~8457=2, 5207/1.8=2...(8) HD2 LYS 32 - HB3 LYS 119 OK 20 88 - 23 - ~8457=2, 5207/1.8=2...(8) HD3 LYS 31 - HB3 PRO 30 OK 19 99 - 20 - 2446/5.0=3, 114/3.9=3...(5) HD2 LYS 31 - HB3 PRO 30 OK 19 99 - 20 - 2446/5.0=3, 114/3.9=3...(5) HG2 PRO 30 - HB2 ARG 71 OK 18 41 - 44 - 2383=4, 2.3/2369=3...(24) HB3 LEU 126 - HB3 PRO 30 OK 16 97 - 16 - 2370/1.8=1 HB2 LEU 126 - HB3 PRO 30 OK 15 97 - 16 - 2370/1.8=1 HG LEU 126 - HB3 PRO 30 OK 15 87 - 17 - 2387/3.0=2, 2382/1.8=2...(4) HB2 LEU 59 - HB3 PRO 30 OK 11 97 - 12 - ~7083=1 HG LEU 101 - HB3 LYS 119 OK 11 86 - 13 - ~8031=3, 2.1/7715=2 HG2 ARG 53 - HB3 PRO 30 lone 9 100 - 9 - HB3 LYS 32 - HB3 LYS 119 poor 8 54 - 15 - 4.0/6610=2, ~8457=2, 3.0/8456=1 HG2 ARG 53 - HB2 ARG 71 poor 7 41 - 18 - 3151/3.6=3, ~3861=2...(10) HD2 LYS 31 - HB2 ARG 71 poor 7 39 - 19 - ~2409=2, ~2427=2...(7) HD3 LYS 31 - HB2 ARG 71 poor 7 39 - 19 - ~2409=2, ~2427=2...(7) HG LEU 101 - HB2 ARG 71 poor 7 40 - 17 - ~4673=2, 2.1/7704=2...(12) HG12 ILE 63 - HB3 PRO 30 lone 5 97 - 5 - HB3 GLN 42 - HB2 ARG 71 poor 5 25 - 21 - ~3860=2, 2836/3.6=2...(9) HB3 LEU 126 - HB3 LYS 119 lone 4 83 - 5 - HB2 LEU 126 - HB3 LYS 119 lone 4 82 - 5 - HG12 ILE 63 - HB3 LYS 119 lone 3 82 - 4 - HG LEU 126 - HB3 LYS 119 lone 3 71 - 4 - HG2 ARG 53 - HB3 LYS 119 lone 2 88 - 2 - HG LEU 51 - HB3 LYS 119 lone 2 65 - 3 - HB3 GLN 42 - HB3 LYS 119 lone 1 61 - 2 - HD2 LYS 32 - HB2 ARG 71 lone 1 41 - 3 - HD3 LYS 32 - HB2 ARG 71 lone 1 41 - 3 - HB3 LYS 32 - HB2 ARG 71 lone 1 22 - 3 - 4.0/6610=2 HG12 ILE 63 - HB2 ARG 71 lone 1 37 - 2 - HG LEU 51 - HB2 ARG 71 lone 1 28 - 2 - HD3 LYS 119 - HB2 ARG 71 lone 0 33 - 1 - HD2 LYS 119 - HB2 ARG 71 lone 0 32 - 1 - HB2 LEU 59 - HB2 ARG 71 lone 0 37 - 1 - HB3 LEU 126 - HB2 ARG 71 lone 0 37 - 1 - HB2 LEU 126 - HB2 ARG 71 lone 0 37 - 1 - HG LEU 126 - HB2 ARG 71 lone 0 31 - 1 - Peak 2378 from cnoeabs.peaks (1.76, 1.95, 31.87 ppm; 3.08 A): 2 out of 51 assignments used, quality = 1.00: * HG3 PRO 30 + HB3 PRO 30 OK 100 100 - 100 - 2.3=100 HG3 ARG 71 + HB3 PRO 30 OK 47 99 - 48 - 2371/1.8=3, 2390=3...(26) HG2 ARG 71 - HB3 PRO 30 OK 39 83 - 48 - 2371/1.8=3, 2364/2.3=3...(28) HG3 ARG 71 - HB2 ARG 71 OK 39 39 - 100 - 3.0=100 HB2 LYS 32 - HB3 PRO 30 OK 32 76 - 43 - 4.0/6610=7, ~6607=3...(22) HG2 ARG 71 - HB2 ARG 71 OK 29 29 - 100 - 3.0=100 HG3 PRO 30 - HB3 LYS 119 OK 25 88 - 29 - 2.3/2369=3, 2.3/2380=3...(11) HG LEU 117 - HB3 PRO 30 OK 24 100 - 24 - 2394/3.0=2, 2371/1.8=2...(10) HB2 LEU 117 - HB3 PRO 30 OK 23 97 - 24 - 2371/1.8=2, 3.1/8035=1...(8) HB3 LYS 46 - HB3 LYS 119 OK 21 81 - 26 - 2.9/5215=2, 2.9/5215=2...(12) HB2 LEU 91 - HB3 PRO 30 OK 20 60 - 33 - ~8245=4, ~4387=3...(19) HG2 GLN 42 - HB3 PRO 30 OK 19 100 - 19 - 2846/2.3=2, 2371/1.8=1...(6) HB2 LEU 45 - HB3 PRO 30 OK 18 97 - 19 - ~8248=1, 2371/1.8=1...(5) HD2 LYS 109 - HB3 LYS 119 OK 18 88 - 20 - 3.0/4922=2, 3.9/4902=2...(7) HD3 LYS 109 - HB3 LYS 119 OK 18 88 - 20 - 3.0/4922=2, 3.9/4902=2...(7) HD3 LYS 109 - HB3 PRO 30 OK 17 100 - 17 - 3.0/4922=1, 4942=1...(5) HD2 LYS 109 - HB3 PRO 30 OK 17 100 - 17 - 3.0/4922=1, 4942=1...(5) HG3 PRO 30 - HB2 ARG 71 OK 14 41 - 35 - 2.3/2369=3, 2390=2...(24) HB2 GLU 75 - HB3 PRO 30 OK 12 96 - 12 - 7319/2.3=2, 115/3.9=1...(4) HG LEU 117 - HB3 LYS 119 poor 9 88 - 10 - ~8032=2, 5151/4.7=2...(4) HB2 LEU 45 - HB2 ARG 71 poor 9 37 - 24 - 6032/3.6=5, 6032/3.6=3...(8) HB2 LEU 117 - HB3 LYS 119 poor 8 83 - 10 - 5137/4.7=3, 4.0/5916=2...(4) HB2 LYS 32 - HB3 LYS 119 poor 8 61 - 13 - 4.0/6610=2, ~8457=1, 3.0/8456=1 HB2 GLU 75 - HB2 ARG 71 poor 7 36 - 21 - 8335/4.0=9, 7319/3.0=4...(5) HB3 LYS 46 - HB3 PRO 30 lone 6 96 - 6 - HB2 ARG 53 - HB3 PRO 30 lone 5 78 - 7 - HB2 LEU 45 - HB3 LYS 119 lone 5 83 - 6 - HB2 PRO 37 - HB3 PRO 30 lone 5 76 - 6 - 3.9/928=2 HG2 GLN 42 - HB2 ARG 71 lone 4 40 - 10 - 2844/3.6=2, 2844/3.6=1 HB VAL 66 - HB3 PRO 30 lone 3 90 - 3 - HB2 LEU 91 - HB3 LYS 119 lone 3 47 - 7 - ~8030=1 HB2 ARG 53 - HB2 ARG 71 lone 2 27 - 9 - 3135/3.6=2 HB2 PRO 37 - HB3 LYS 119 lone 2 61 - 4 - HB3 LYS 46 - HB2 ARG 71 lone 2 36 - 6 - HB2 GLU 75 - HB3 LYS 119 lone 2 81 - 3 - HB2 LEU 91 - HB2 ARG 71 poor 2 19 - 10 - ~4388=1 HB3 GLU 56 - HB3 LYS 119 lone 2 47 - 4 - 4.6/5210=2 HG3 ARG 71 - HB3 LYS 119 lone 2 86 - 2 - HG2 GLN 42 - HB3 LYS 119 lone 2 87 - 2 - HB2 ARG 53 - HB3 LYS 119 lone 1 63 - 2 - HG2 ARG 71 - HB3 LYS 119 lone 1 67 - 2 - HB3 GLU 56 - HB3 PRO 30 lone 1 60 - 2 - HG LEU 117 - HB2 ARG 71 lone 1 41 - 2 - HD2 LYS 109 - HB2 ARG 71 lone 1 41 - 2 - HD3 LYS 109 - HB2 ARG 71 lone 1 41 - 2 - HB VAL 66 - HB3 LYS 119 lone 1 75 - 1 - HB2 LEU 117 - HB2 ARG 71 lone 1 37 - 2 - HB2 LYS 32 - HB2 ARG 71 lone 1 25 - 3 - 4.0/6610=1 HB VAL 66 - HB2 ARG 71 lone 1 33 - 2 - HB2 PRO 37 - HB2 ARG 71 lone 0 25 - 1 - HB3 GLU 56 - HB2 ARG 71 lone 0 19 - 1 - Peak 2379 from cnoeabs.peaks (3.77, 1.95, 31.87 ppm; 4.37 A): 2 out of 33 assignments used, quality = 1.00: * HD2 PRO 30 + HB3 PRO 30 OK 100 100 - 100 - 3.0=100 HA GLU 38 + HB3 PRO 30 OK 53 99 - 54 - 2372/1.8=7, 2701=6...(26) HD2 PRO 30 - HB3 LYS 119 OK 41 88 - 47 - 1.8/2380=7, 2348=5...(21) HB2 SER 72 - HB3 PRO 30 OK 25 97 - 25 - 7286/2.3=8, 2372/1.8=4...(8) HD2 PRO 30 - HB2 ARG 71 OK 24 41 - 60 - 2346/3.0=6, 2348=4...(34) HA CYS 87 - HB3 PRO 30 OK 14 98 - 14 - 2372/1.8=2, 2365/2.3=2...(7) HB3 SER 74 - HB3 PRO 30 OK 14 92 - 15 - 2372/1.8=2, 2365/2.3=2...(7) HB2 SER 74 - HB3 PRO 30 OK 13 90 - 15 - 2372/1.8=2, 2365/2.3=2...(7) HB3 SER 13 - HB3 PRO 30 OK 13 100 - 13 - 2372/1.8=2, 2358/3.0=2...(5) HA LEU 54 - HB3 PRO 30 OK 12 85 - 14 - 2372/1.8=2, 2386/2.3=1...(5) HA CYS 87 - HB3 LYS 119 OK 11 84 - 13 - 7532/2.9=2, 7531/2.9=2...(4) HA GLU 38 - HB3 LYS 119 OK 11 85 - 12 - 6707/2.9=1, 2701=1 HB3 SER 35 - HB3 PRO 30 lone 9 99 - 9 - 2372/1.8=1, 2365/2.3=1 HA GLU 73 - HB3 PRO 30 lone 6 76 - 8 - HA LEU 54 - HB3 LYS 119 lone 5 69 - 8 - 6072/4.0=3 HB2 SER 72 - HB2 ARG 71 poor 4 37 - 11 - 3.9/336=7, 7286/3.0=3 HB3 SER 13 - HB3 LYS 119 lone 2 88 - 3 - HB3 SER 35 - HB3 LYS 119 lone 2 85 - 3 - HB3 SER 74 - HB2 ARG 71 lone 2 34 - 6 - 1116/4.3=2, ~6089=1 HA GLU 38 - HB2 ARG 71 lone 2 39 - 5 - HB2 SER 74 - HB2 ARG 71 lone 2 33 - 6 - 1116/4.3=2, ~6089=1 HA GLU 73 - HB3 LYS 119 lone 2 61 - 3 - HB2 SER 72 - HB3 LYS 119 lone 2 83 - 2 - HA CYS 87 - HB2 ARG 71 lone 1 38 - 3 - HA2 GLY 61 - HB3 PRO 30 lone 1 63 - 2 - HB3 SER 74 - HB3 LYS 119 lone 1 76 - 1 - HB2 SER 74 - HB3 LYS 119 lone 1 75 - 1 - HB3 SER 13 - HB2 ARG 71 lone 1 41 - 2 - HA LEU 54 - HB2 ARG 71 lone 1 30 - 2 - HB3 SER 35 - HB2 ARG 71 lone 1 39 - 1 - HA2 GLY 61 - HB3 LYS 119 lone 0 49 - 1 - HA GLU 73 - HB2 ARG 71 lone 0 25 - 1 - HA2 GLY 61 - HB2 ARG 71 lone 0 20 - 2 - Peak 2380 from cnoeabs.peaks (3.69, 1.95, 31.87 ppm; 4.52 A): 1 out of 9 assignments used, quality = 1.00: * HD3 PRO 30 + HB3 PRO 30 OK 100 100 - 100 - 3.0=100 HD3 PRO 30 - HB3 LYS 119 OK 42 88 - 48 - 2355=6, 3.0/2369=5...(22) HB2 TRP 20 - HB3 PRO 30 OK 36 92 - 40 - 2373/1.8=10, 2387/2.3=7...(10) HD3 PRO 30 - HB2 ARG 71 OK 24 41 - 59 - 2394/3.0=6, 2355=5...(33) HA2 GLY 104 - HB3 PRO 30 OK 16 73 - 21 - ~8568=4, 2373/1.8=4...(8) HB2 TRP 20 - HB3 LYS 119 lone 3 76 - 5 - HB2 TRP 20 - HB2 ARG 71 lone 3 34 - 10 - 2031/3.6=2, ~3860=1, ~3844=1 HA2 GLY 104 - HB3 LYS 119 lone 2 59 - 3 - HA2 GLY 104 - HB2 ARG 71 lone 1 24 - 5 - ~8568=2 Peak 2381 from cnoeabs.peaks (4.50, 1.61, 26.76 ppm; 4.31 A): 1 out of 18 assignments used, quality = 1.00: * HA PRO 30 + HG2 PRO 30 OK 100 100 - 100 - 3.8=100 HA ARG 71 - HG2 PRO 30 OK 43 87 - 50 - 2367/2.3=8, 2346/2.3=6...(25) HA LEU 91 - HG2 PRO 30 OK 35 100 - 35 - 2346/2.3=7, 2367/2.3=6...(13) HA LEU 101 - HG2 PRO 30 OK 32 97 - 33 - 2367/2.3=5, 4648=5...(11) HA LEU 101 - HB3 GLN 42 OK 14 42 - 34 - ~6773=5, 4648=4, ~6779=4...(12) HA PRO 30 - HG LEU 126 OK 12 72 - 16 - 3.6/2387=3, 2.3/2382=2...(6) HA PRO 30 - HB3 GLN 42 poor 9 45 - 20 - 3.6/2387=3, 2.3/2382=2...(10) HA ARG 71 - HB3 GLN 42 poor 8 34 - 23 - 3844/3.0=5, ~3860=3...(8) HA PRO 70 - HG2 PRO 30 lone 7 87 - 8 - 2367/2.3=1, 2374/2.3=1 HB THR 23 - HG2 PRO 30 lone 6 95 - 6 - 4631/6593=1, 2367/2.3=1 HA LEU 91 - HG LEU 126 lone 3 71 - 4 - HA LEU 101 - HG LEU 126 lone 3 66 - 4 - HA LEU 91 - HB3 GLN 42 lone 2 45 - 4 - HA PRO 70 - HB3 GLN 42 lone 1 34 - 4 - HA PRO 70 - HG LEU 126 lone 1 56 - 2 - HB THR 23 - HB3 GLN 42 lone 1 39 - 3 - HA ARG 71 - HG LEU 126 lone 1 56 - 2 - HB THR 23 - HG LEU 126 lone 1 63 - 1 - Peak 2382 from cnoeabs.peaks (2.13, 1.61, 26.76 ppm; 3.68 A): 2 out of 15 assignments used, quality = 1.00: * HB2 PRO 30 + HG2 PRO 30 OK 100 100 - 100 - 2.3=100 HB VAL 115 + HG2 PRO 30 OK 50 100 - 50 - ~7972=8, 2354/2.3=6...(17) HG2 GLU 69 - HG2 PRO 30 OK 33 95 - 35 - 3780/2.3=6, 2354/2.3=4...(15) HB3 GLU 15 - HG2 PRO 30 OK 27 100 - 27 - 2347/2.3=3, 2354/2.3=3...(12) HB2 PRO 30 - HG LEU 126 OK 15 72 - 21 - 3.0/2387=2, 3.0/2386=2...(5) HB2 PRO 30 - HB3 GLN 42 OK 15 45 - 33 - 2370=2, 3.0/2387=2...(17) HG12 ILE 80 - HG2 PRO 30 OK 14 65 - 21 - 2.1/7417=2, 2347/2.3=2...(9) HB VAL 115 - HB3 GLN 42 lone 4 45 - 9 - ~6013=2, 5107/1.8=2, ~5102=1 HB VAL 115 - HG LEU 126 lone 3 71 - 4 - HG12 ILE 80 - HG LEU 126 lone 2 39 - 6 - HG2 GLU 69 - HG LEU 126 lone 1 63 - 1 - HB3 GLU 15 - HG LEU 126 lone 1 71 - 1 - HB3 GLU 15 - HB3 GLN 42 lone 0 45 - 1 - HG2 GLU 69 - HB3 GLN 42 lone 0 39 - 1 - HG12 ILE 80 - HB3 GLN 42 lone 0 24 - 1 - Peak 2383 from cnoeabs.peaks (1.95, 1.61, 26.76 ppm; 3.44 A): 1 out of 45 assignments used, quality = 1.00: * HB3 PRO 30 + HG2 PRO 30 OK 100 100 - 100 - 2.3=100 HB3 GLU 69 - HG2 PRO 30 OK 32 100 - 32 - 3775/2.3=6, 3.0/2382=3...(16) HB3 LYS 119 - HG2 PRO 30 OK 31 100 - 32 - 2369/2.3=4, 2380/2.3=4...(15) HB2 ARG 71 - HG2 PRO 30 OK 28 68 - 42 - 2369/2.3=3, 3.0/2381=3...(24) HB2 GLU 38 - HG2 PRO 30 OK 27 99 - 27 - 3.0/2386=3, 2706/2.3=3...(15) HB2 LYS 109 - HG2 PRO 30 OK 20 97 - 21 - 4897/1.8=2, 2369/2.3=2...(8) HG LEU 45 - HG2 PRO 30 OK 15 73 - 21 - 2.1/8248=3, ~8246=2...(8) HB3 PRO 30 - HG LEU 126 OK 13 72 - 17 - 3.0/2387=2, 1.8/2382=2 HB3 PRO 30 - HB3 GLN 42 OK 13 45 - 28 - 3.0/2387=2, 1.8/2382=2...(9) HB ILE 80 - HG2 PRO 30 OK 12 71 - 18 - 3.2/7417=2, 2369/2.3=1...(5) HB2 ARG 85 - HG2 PRO 30 lone 10 100 - 9 - HB3 ARG 85 - HG2 PRO 30 lone 10 100 - 9 - HG LEU 58 - HG2 PRO 30 lone 8 92 - 9 - 2.1/6368=1 HG LEU 45 - HB3 GLN 42 poor 7 27 - 27 - ~6786=5, ~6032=3...(13) HB2 LEU 21 - HG2 PRO 30 lone 6 81 - 8 - 1.8/8249=1 HB2 GLU 64 - HG2 PRO 30 lone 5 97 - 5 - HB3 GLU 64 - HG2 PRO 30 lone 5 96 - 5 - HB2 ARG 71 - HB3 GLN 42 poor 5 25 - 19 - 3852/3.0=2, ~3860=2...(5) HB2 LYS 109 - HB3 GLN 42 poor 5 42 - 11 - 4890/4.6=3, 5868/4.4=1 HB3 LYS 119 - HG LEU 126 lone 3 71 - 4 - HB2 GLU 38 - HB3 GLN 42 lone 3 44 - 6 - ~6708=2 HB2 ARG 85 - HB3 GLN 42 lone 3 45 - 6 - HB3 ARG 85 - HB3 GLN 42 lone 3 45 - 6 - HB3 GLU 94 - HG2 PRO 30 lone 2 99 - 2 - HG LEU 58 - HG LEU 126 lone 2 60 - 4 - HG LEU 58 - HB3 GLN 42 lone 2 37 - 6 - 2.1/6368=1 HB ILE 80 - HG LEU 126 lone 2 43 - 4 - HB2 LEU 21 - HB3 GLN 42 lone 2 31 - 6 - ~6786=1 HB2 LEU 21 - HG LEU 126 lone 2 51 - 3 - HB3 LYS 119 - HB3 GLN 42 lone 1 45 - 2 - HB2 GLU 38 - HG LEU 126 lone 1 70 - 1 - HG LEU 45 - HG LEU 126 lone 1 45 - 2 - HB3 GLU 69 - HG LEU 126 lone 1 71 - 1 - HB2 LYS 109 - HG LEU 126 lone 1 66 - 1 - HB ILE 80 - HB3 GLN 42 lone 1 26 - 2 - ~6129=1 HB2 GLU 64 - HG LEU 126 lone 1 66 - 1 - HB3 GLU 64 - HG LEU 126 lone 1 64 - 1 - HB2 ARG 85 - HG LEU 126 lone 0 72 - 1 - HB3 ARG 85 - HG LEU 126 lone 0 72 - 1 - HB2 GLU 64 - HB3 GLN 42 lone 0 42 - 1 - HB3 GLU 69 - HB3 GLN 42 lone 0 45 - 1 - HB2 ARG 71 - HG LEU 126 lone 0 41 - 1 - HB3 GLU 64 - HB3 GLN 42 lone 0 40 - 1 - HB3 GLU 94 - HG LEU 126 lone 0 70 - 1 - HB3 GLU 94 - HB3 GLN 42 lone 0 44 - 1 - Peak 2384 from cnoeabs.peaks (1.61, 1.61, 26.76 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 PRO 30 + HG2 PRO 30 OK 100 100 - 100 HG LEU 126 + HG LEU 126 OK 56 56 - 100 HB3 GLN 42 - HB3 GLN 42 OK 28 28 - 100 Peak 2385 from cnoeabs.peaks (1.76, 1.61, 26.76 ppm; 2.66 A): 1 out of 51 assignments used, quality = 1.00: * HG3 PRO 30 + HG2 PRO 30 OK 100 100 - 100 - 1.8=100 HG2 GLN 42 - HB3 GLN 42 OK 34 45 - 77 - 3.0=69, 2844/3.0=5...(9) HG3 ARG 71 - HG2 PRO 30 OK 29 99 - 30 - 2394/2.3=3, 2371/2.3=2...(11) HB2 LYS 32 - HG2 PRO 30 OK 26 76 - 35 - 3.0/6607=4, 2502=4...(17) HG2 ARG 71 - HG2 PRO 30 OK 24 83 - 29 - 2394/2.3=2, 2371/2.3=2...(15) HG LEU 117 - HG2 PRO 30 OK 18 100 - 18 - 2394/2.3=2, ~7086=1...(6) HB2 LEU 117 - HG2 PRO 30 OK 17 97 - 17 - 2357/2.3=1, 2371/2.3=1 HG2 GLN 42 - HG2 PRO 30 OK 15 100 - 15 - 2846=1, 1.8/2854=1, ~2855=1 HB2 LEU 45 - HG2 PRO 30 OK 12 97 - 13 - 3.1/8248=2 HB2 LEU 91 - HG2 PRO 30 OK 12 60 - 20 - ~7585=2, ~6596=1...(9) HD3 LYS 109 - HG2 PRO 30 OK 10 100 - 10 - HD2 LYS 109 - HG2 PRO 30 OK 10 100 - 10 - HG3 ARG 71 - HB3 GLN 42 poor 9 43 - 20 - 2831/1.8=2, 3876/3.0=1...(5) HG3 PRO 30 - HB3 GLN 42 poor 8 45 - 19 - 2831/1.8=2, 2.3/2387=1...(8) HG3 PRO 30 - HG LEU 126 poor 8 72 - 11 - 2.3/2387=1, 2.3/2386=1 HB2 LEU 45 - HB3 GLN 42 poor 8 42 - 20 - 6032/3.0=6, 2831/1.8=2...(8) HB3 LYS 46 - HB3 GLN 42 poor 7 40 - 17 - 2850/4.4=2, 2848/3.0=2...(8) HB2 GLU 75 - HG2 PRO 30 lone 6 96 - 7 - HG2 ARG 71 - HB3 GLN 42 poor 6 32 - 20 - 2831/1.8=2, ~2828=1...(5) HB2 ARG 53 - HG2 PRO 30 lone 5 78 - 6 - HB3 LYS 46 - HG2 PRO 30 lone 4 96 - 4 - HB2 ARG 53 - HG LEU 126 lone 4 49 - 8 - HG LEU 117 - HB3 GLN 42 lone 4 45 - 8 - 2831/1.8=1 HB2 LEU 117 - HB3 GLN 42 lone 3 42 - 7 - HD2 LYS 109 - HB3 GLN 42 lone 3 45 - 6 - HD3 LYS 109 - HB3 GLN 42 lone 3 45 - 6 - HB2 PRO 37 - HG2 PRO 30 lone 3 76 - 4 - HG LEU 117 - HG LEU 126 lone 3 71 - 4 - HB2 LEU 117 - HG LEU 126 lone 2 66 - 4 - HB VAL 66 - HG2 PRO 30 lone 2 90 - 2 - HB2 GLU 75 - HB3 GLN 42 lone 2 40 - 5 - HB2 ARG 53 - HB3 GLN 42 lone 2 30 - 5 - HB VAL 66 - HG LEU 126 lone 1 59 - 2 - HB2 LYS 32 - HB3 GLN 42 lone 1 28 - 4 - HB VAL 66 - HB3 GLN 42 lone 1 36 - 3 - HB2 LYS 32 - HG LEU 126 lone 1 47 - 2 - HB3 GLU 56 - HG2 PRO 30 lone 1 60 - 1 - HG3 ARG 71 - HG LEU 126 lone 0 69 - 1 - HG2 GLN 42 - HG LEU 126 lone 0 71 - 1 - HB3 GLU 56 - HG LEU 126 lone 0 36 - 1 - HB3 LYS 46 - HG LEU 126 lone 0 64 - 1 - HB2 LEU 45 - HG LEU 126 lone 0 66 - 1 - HG2 ARG 71 - HG LEU 126 lone 0 52 - 1 - HB2 PRO 37 - HB3 GLN 42 lone 0 28 - 1 - HB2 LEU 91 - HB3 GLN 42 lone 0 21 - 1 - HD2 LYS 109 - HG LEU 126 lone 0 71 - 0 - HD3 LYS 109 - HG LEU 126 lone 0 71 - 0 - HB2 LEU 91 - HG LEU 126 lone 0 36 - 1 - HB2 GLU 75 - HG LEU 126 lone 0 64 - 0 - HB2 PRO 37 - HG LEU 126 lone 0 47 - 0 - HB3 GLU 56 - HB3 GLN 42 lone 0 21 - 1 - Peak 2386 from cnoeabs.peaks (3.77, 1.61, 26.76 ppm; 3.50 A): 1 out of 33 assignments used, quality = 1.00: * HD2 PRO 30 + HG2 PRO 30 OK 100 100 - 100 - 2.3=100 HA GLU 38 - HG2 PRO 30 OK 33 99 - 33 - 2358/2.3=5, 2372/2.3=4...(15) HB2 SER 72 - HG2 PRO 30 OK 15 97 - 15 - 7286/1.8=5, 2372/2.3=2...(7) HD2 PRO 30 - HB3 GLN 42 OK 15 45 - 33 - 1593/4.0=3, 1.8/2387=3...(11) HD2 PRO 30 - HG LEU 126 OK 14 72 - 20 - 1.8/2387=3, 2349=2...(5) HA CYS 87 - HG2 PRO 30 lone 9 98 - 9 - 2358/2.3=1, 2372/2.3=1 HA GLU 38 - HB3 GLN 42 poor 8 43 - 20 - 6009/4.0=9, 6708/1.8=4...(4) HB3 SER 13 - HG2 PRO 30 lone 8 100 - 8 - 2358/2.3=1, 2372/2.3=1 HB3 SER 74 - HG2 PRO 30 lone 8 92 - 9 - 2372/2.3=1, 2358/2.3=1 HB2 SER 74 - HG2 PRO 30 lone 8 90 - 9 - 2372/2.3=1, 2358/2.3=1 HA LEU 54 - HG2 PRO 30 lone 8 85 - 9 - 2358/2.3=1 HB3 SER 35 - HG2 PRO 30 lone 5 99 - 5 - HA GLU 73 - HG2 PRO 30 lone 4 76 - 5 - HB3 SER 13 - HG LEU 126 lone 3 71 - 4 - HB3 SER 13 - HB3 GLN 42 lone 2 45 - 5 - 6289/1.8=1, 1593/4.0=1 HA CYS 87 - HG LEU 126 lone 2 67 - 2 - HA CYS 87 - HB3 GLN 42 lone 1 42 - 3 - 1593/4.0=1 HA GLU 38 - HG LEU 126 lone 1 68 - 2 - HA2 GLY 61 - HG2 PRO 30 lone 1 63 - 2 - HB3 SER 74 - HB3 GLN 42 lone 1 37 - 3 - HB2 SER 74 - HB3 GLN 42 lone 1 36 - 3 - HB3 SER 35 - HB3 GLN 42 lone 1 43 - 2 - HA LEU 54 - HG LEU 126 lone 1 54 - 2 - HA2 GLY 61 - HG LEU 126 lone 1 38 - 2 - HB3 SER 35 - HG LEU 126 lone 1 68 - 1 - HA LEU 54 - HB3 GLN 42 lone 1 33 - 2 - HB2 SER 72 - HB3 GLN 42 lone 1 42 - 1 - HB2 SER 72 - HG LEU 126 lone 0 66 - 1 - HA GLU 73 - HB3 GLN 42 lone 0 28 - 2 - HA GLU 73 - HG LEU 126 lone 0 47 - 1 - HB3 SER 74 - HG LEU 126 lone 0 60 - 1 - HB2 SER 74 - HG LEU 126 lone 0 59 - 1 - HA2 GLY 61 - HB3 GLN 42 lone 0 22 - 1 - Peak 2387 from cnoeabs.peaks (3.69, 1.61, 26.76 ppm; 3.59 A): 1 out of 9 assignments used, quality = 1.00: * HD3 PRO 30 + HG2 PRO 30 OK 100 100 - 100 - 2.3=100 HB2 TRP 20 - HG2 PRO 30 OK 27 92 - 29 - 2352/2.3=6, 2373/2.3=6...(9) HD3 PRO 30 - HG LEU 126 OK 15 72 - 20 - 1.8/2386=2, 6598/2.1=2...(7) HD3 PRO 30 - HB3 GLN 42 OK 14 45 - 32 - 6598/1.8=3, ~6595=2...(12) HA2 GLY 104 - HG2 PRO 30 poor 9 73 - 13 - 2373/2.3=2, 2352/2.3=2...(7) HA2 GLY 104 - HB3 GLN 42 poor 7 27 - 25 - 8390/4.4=7, ~5568=4...(9) HB2 TRP 20 - HB3 GLN 42 lone 3 37 - 8 - 2031/3.0=3, ~2828=1, ~2021=1 HB2 TRP 20 - HG LEU 126 lone 1 60 - 1 - HA2 GLY 104 - HG LEU 126 lone 0 45 - 1 - Peak 2388 from cnoeabs.peaks (4.50, 1.76, 26.76 ppm; 3.31 A): 5 out of 24 assignments used, quality = 0.95: * HA PRO 30 + HG3 PRO 30 OK 66 100 - 66 - 3.8=64, 3.6/115=3 HA ARG 71 + HG3 ARG 71 OK 52 57 - 91 - 4.0=59, 3844/3.0=13...(31) HA ARG 71 + HG2 ARG 71 OK 39 43 - 91 - 4.0=59, 3844/3.0=13...(31) HA PRO 30 + HG3 ARG 71 OK 32 73 - 44 - 2364=5, 2.3/2371=4...(25) HA ARG 71 + HG3 PRO 30 OK 29 87 - 34 - 2367/2.3=5, 3840/2.3=4...(13) HA LEU 91 - HG3 PRO 30 OK 26 100 - 26 - 2367/2.3=4, 2346/2.3=4...(9) HA PRO 30 - HG2 ARG 71 OK 24 56 - 42 - 2364/1.8=4, 2364=4...(25) HA LEU 101 - HG3 PRO 30 OK 18 97 - 19 - 2367/2.3=3, 2381/1.8=2...(8) HA LEU 91 - HG LEU 117 OK 13 69 - 20 - ~8365=2, ~5910=2...(9) HA PRO 70 - HG3 ARG 71 OK 10 57 - 18 - 3.5/1111=6, 3847/3.0=2...(7) HA PRO 30 - HG LEU 117 poor 10 69 - 14 - 3.6/2394=2, 2.3/2371=2...(6) HA LEU 91 - HG3 ARG 71 poor 10 72 - 13 - 4374/1.8=2, 4374/3.0=2, 4374=1 HA PRO 70 - HG LEU 117 poor 8 54 - 15 - ~7254=2, 2.3/7256=2...(8) HA PRO 70 - HG2 ARG 71 poor 7 43 - 18 - 3.5/1111=5, 3847/3.0=2...(7) HA LEU 91 - HG2 ARG 71 poor 7 55 - 13 - 4374/3.0=2, 4374=1, 4374/1.8=1 HA LEU 101 - HG3 ARG 71 lone 6 68 - 9 - 4.0/8247=1, 4.0/7705=1 HA PRO 70 - HG3 PRO 30 lone 6 87 - 6 - 3.5/1111=1 HA LEU 101 - HG2 ARG 71 lone 4 51 - 9 - 4.0/7705=1 HB THR 23 - HG3 PRO 30 lone 3 95 - 3 - HA LEU 101 - HG LEU 117 lone 2 64 - 3 - HA ARG 71 - HG LEU 117 lone 2 54 - 3 - HB THR 23 - HG LEU 117 lone 0 61 - 1 - HB THR 23 - HG3 ARG 71 lone 0 65 - 1 - HB THR 23 - HG2 ARG 71 lone 0 49 - 1 - Peak 2389 from cnoeabs.peaks (2.13, 1.76, 26.76 ppm; 3.79 A): 3 out of 20 assignments used, quality = 1.00: * HB2 PRO 30 + HG3 PRO 30 OK 100 100 - 100 - 2.3=100 HB VAL 115 + HG3 PRO 30 OK 54 100 - 54 - ~7972=8, 2382/1.8=7...(19) HB2 PRO 30 + HG3 ARG 71 OK 49 73 - 68 - 2371=6, 2.3/2364=5...(45) HB2 PRO 30 - HG2 ARG 71 OK 38 56 - 68 - 2371=5, 2371/1.8=5...(44) HG2 GLU 69 - HG3 PRO 30 OK 35 95 - 37 - 3780/2.3=6, 2382/1.8=5...(15) HB3 GLU 15 - HG3 PRO 30 OK 30 100 - 30 - 2382/1.8=4, 2347/2.3=3...(13) HB2 PRO 30 - HG LEU 117 OK 25 69 - 36 - 2371=3, 3.0/2394=3...(17) HG12 ILE 80 - HG3 PRO 30 OK 15 65 - 22 - 2382/1.8=2, ~7417=2...(10) HB VAL 115 - HG LEU 117 OK 10 69 - 15 - 5107/2.1=2, ~8554=2...(5) HB3 GLU 15 - HG LEU 117 poor 10 69 - 14 - 3.0/6322=2, 1921/3.0=1...(5) HB VAL 115 - HG3 ARG 71 lone 2 73 - 2 - HB3 GLU 15 - HG3 ARG 71 lone 2 73 - 2 - HG2 GLU 69 - HG3 ARG 71 lone 1 65 - 2 - HB VAL 115 - HG2 ARG 71 lone 1 56 - 2 - HG2 GLU 69 - HG LEU 117 lone 1 61 - 2 - HG12 ILE 80 - HG LEU 117 lone 1 38 - 3 - HB3 GLU 15 - HG2 ARG 71 lone 1 56 - 2 - HG2 GLU 69 - HG2 ARG 71 lone 1 49 - 2 - HG12 ILE 80 - HG3 ARG 71 lone 1 41 - 1 - HG12 ILE 80 - HG2 ARG 71 lone 0 30 - 1 - Peak 2390 from cnoeabs.peaks (1.95, 1.76, 26.76 ppm; 2.75 A): 1 out of 60 assignments used, quality = 1.00: * HB3 PRO 30 + HG3 PRO 30 OK 100 100 - 100 - 2.3=100 HB2 ARG 71 - HG3 ARG 71 OK 38 43 - 89 - 3.0=81, 3849/1.8=6...(23) HB2 ARG 71 - HG2 ARG 71 OK 28 31 - 89 - 3.0=81, 3851/1.8=5...(24) HB3 PRO 30 - HG3 ARG 71 OK 28 73 - 38 - 2378=3, 1.8/2371=3...(13) HB3 LYS 119 - HG3 PRO 30 OK 22 100 - 22 - 2369/2.3=3, 2380/2.3=2...(8) HB3 PRO 30 - HG2 ARG 71 OK 21 56 - 38 - 2378=2, 1.8/2371=2...(15) HB3 GLU 69 - HG3 PRO 30 OK 20 100 - 20 - 3775/2.3=4, 2383/1.8=2...(10) HB2 ARG 71 - HG3 PRO 30 OK 19 68 - 28 - 2369/2.3=2, 3851=2...(12) HB2 GLU 38 - HG3 PRO 30 OK 17 99 - 18 - 2369/2.3=2, 2706/2.3=2...(7) HB3 PRO 30 - HG LEU 117 OK 14 69 - 20 - 3.0/2394=2, 8035/2.1=1...(7) HB2 LYS 109 - HG3 PRO 30 OK 14 97 - 14 - 4897=1, 2369/2.3=1...(4) HG LEU 45 - HG3 ARG 71 OK 10 46 - 23 - 2.1/2914=2, 3.0/2893=2...(9) HG LEU 45 - HG3 PRO 30 OK 10 73 - 14 - ~8248=2, 2.1/2914=1, 2369/2.3=1 HG LEU 45 - HG2 ARG 71 poor 8 34 - 23 - 2.1/2914=2, 3.0/2893=2...(9) HB ILE 80 - HG3 PRO 30 poor 7 71 - 10 - HB3 ARG 85 - HG3 PRO 30 lone 6 100 - 6 - HB2 ARG 85 - HG3 PRO 30 lone 6 100 - 6 - HB3 LYS 119 - HG LEU 117 lone 5 69 - 8 - ~8032=2, 5916/4.8=1, 8035/2.1=1 HG LEU 58 - HG3 PRO 30 lone 5 92 - 5 - HB2 LYS 109 - HG LEU 117 lone 5 64 - 8 - HG LEU 58 - HG LEU 117 lone 4 58 - 7 - 2.1/7061=2, 5648/4.8=1 HB2 LEU 21 - HG3 PRO 30 lone 4 81 - 5 - HB2 GLU 38 - HG LEU 117 lone 3 68 - 5 - HB2 GLU 64 - HG3 PRO 30 lone 3 97 - 3 - HB3 GLU 64 - HG3 PRO 30 lone 3 96 - 3 - HB2 LEU 21 - HG LEU 117 lone 3 49 - 6 - ~8013=1, ~6412=1 HB2 LYS 109 - HG3 ARG 71 lone 3 68 - 4 - HB2 LYS 109 - HG2 ARG 71 lone 2 51 - 4 - HG LEU 45 - HG LEU 117 lone 2 44 - 5 - HB3 GLU 94 - HG3 PRO 30 lone 1 99 - 1 - HB3 GLU 94 - HG LEU 117 lone 1 68 - 2 - HB3 LYS 119 - HG3 ARG 71 lone 1 72 - 1 - HB2 GLU 64 - HG LEU 117 lone 1 64 - 2 - HB3 GLU 64 - HG LEU 117 lone 1 62 - 2 - HB2 GLU 38 - HG3 ARG 71 lone 1 71 - 1 - HB3 LYS 119 - HG2 ARG 71 lone 1 55 - 1 - HB3 GLU 94 - HG3 ARG 71 lone 1 71 - 1 - HB3 GLU 69 - HG3 ARG 71 lone 1 72 - 1 - HB3 ARG 85 - HG3 ARG 71 lone 1 73 - 1 - HB2 ARG 85 - HG3 ARG 71 lone 1 73 - 1 - HB2 ARG 71 - HG LEU 117 lone 1 40 - 2 - HB2 ARG 85 - HG LEU 117 lone 1 69 - 1 - HB3 ARG 85 - HG LEU 117 lone 1 69 - 1 - HG LEU 58 - HG3 ARG 71 lone 1 62 - 1 - HB3 GLU 69 - HG LEU 117 lone 1 69 - 1 - HB3 GLU 94 - HG2 ARG 71 lone 1 54 - 1 - HB2 GLU 38 - HG2 ARG 71 lone 0 54 - 1 - HB2 ARG 85 - HG2 ARG 71 lone 0 56 - 1 - HB3 ARG 85 - HG2 ARG 71 lone 0 56 - 1 - HB ILE 80 - HG LEU 117 lone 0 42 - 1 - HB3 GLU 69 - HG2 ARG 71 lone 0 55 - 1 - HG LEU 58 - HG2 ARG 71 lone 0 46 - 1 - HB ILE 80 - HG3 ARG 71 lone 0 44 - 1 - HB2 GLU 64 - HG3 ARG 71 lone 0 68 - 0 - HB2 LEU 21 - HG3 ARG 71 lone 0 52 - 1 - HB3 GLU 64 - HG3 ARG 71 lone 0 66 - 0 - HB ILE 80 - HG2 ARG 71 lone 0 33 - 1 - HB2 GLU 64 - HG2 ARG 71 lone 0 51 - 0 - HB2 LEU 21 - HG2 ARG 71 lone 0 38 - 1 - HB3 GLU 64 - HG2 ARG 71 lone 0 50 - 0 - Peak 2391 from cnoeabs.peaks (1.61, 1.76, 26.76 ppm; 2.76 A): 1 out of 68 assignments used, quality = 1.00: * HG2 PRO 30 + HG3 PRO 30 OK 100 100 - 100 - 1.8=100 HD2 LYS 32 - HG3 PRO 30 OK 33 100 - 33 - ~6605=2, 3.5/2507=2...(14) HD3 LYS 32 - HG3 PRO 30 OK 33 100 - 33 - ~6605=2, 3.5/2507=2...(14) HB3 LYS 32 - HG3 PRO 30 OK 28 68 - 41 - 2507=4, ~6607=3...(20) HG2 PRO 30 - HG3 ARG 71 OK 26 73 - 35 - 2385=4, 2.3/2394=3...(15) HG2 PRO 30 - HG2 ARG 71 OK 19 56 - 35 - 2385=3, 2385/1.8=2...(16) HG LEU 51 - HG3 PRO 30 OK 18 81 - 22 - 2.1/6601=3, ~6600=3...(11) HG LEU 101 - HG3 PRO 30 OK 16 99 - 16 - 2.1/8247=2, ~8249=1...(6) HB3 GLN 42 - HG3 PRO 30 OK 16 76 - 21 - 1.8/2831=2, 2387/2.3=2...(10) HG2 ARG 53 - HG3 ARG 71 OK 15 73 - 21 - 3151/3.0=2, 1.8/3155=1...(7) HG2 PRO 30 - HG LEU 117 OK 14 69 - 21 - 2385=2, 2.3/2394=2...(6) HD3 LYS 119 - HG3 PRO 30 OK 13 90 - 15 - HD2 LYS 119 - HG3 PRO 30 OK 13 89 - 15 - HG2 ARG 53 - HG2 ARG 71 OK 12 55 - 21 - 3151/3.0=2, 1.8/3155=2...(8) HB3 GLN 42 - HG3 ARG 71 OK 12 48 - 24 - 1.8/2831=2, 2839=2...(9) HB2 LEU 59 - HG LEU 117 OK 12 63 - 18 - 3.2/7084=2, ~3427=1...(7) HG LEU 126 - HG3 PRO 30 OK 10 87 - 12 - 2387/2.3=2, 2386/2.3=1...(4) HB3 LEU 126 - HG3 PRO 30 poor 10 97 - 10 - HB2 LEU 126 - HG3 PRO 30 lone 10 97 - 10 - HD2 LYS 31 - HG3 PRO 30 lone 9 99 - 9 - HD3 LYS 31 - HG3 PRO 30 lone 9 99 - 9 - HB3 GLN 42 - HG2 ARG 71 poor 8 36 - 24 - 1.8/2831=2, ~2828=1...(8) HG LEU 101 - HG3 ARG 71 poor 8 71 - 11 - 2.1/7705=1, ~7703=1, 2.1/8247=1 HD3 LYS 31 - HG3 ARG 71 lone 7 70 - 10 - HD2 LYS 31 - HG3 ARG 71 lone 7 70 - 10 - HB2 LEU 59 - HG3 PRO 30 lone 6 97 - 7 - HG2 ARG 53 - HG3 PRO 30 lone 6 100 - 6 - HG LEU 101 - HG2 ARG 71 poor 6 54 - 11 - 2.1/7705=1, ~7703=1 HD2 LYS 31 - HG2 ARG 71 poor 5 53 - 10 - HD3 LYS 31 - HG2 ARG 71 poor 5 53 - 10 - HB3 GLN 42 - HG LEU 117 lone 4 45 - 9 - 1.8/2831=1 HG12 ILE 63 - HG3 PRO 30 lone 3 97 - 3 - HG2 ARG 53 - HG LEU 117 lone 3 69 - 4 - HD3 LYS 32 - HG LEU 117 lone 3 69 - 4 - HD2 LYS 32 - HG LEU 117 lone 3 69 - 4 - HB3 LEU 126 - HG LEU 117 lone 2 64 - 4 - HB2 LEU 126 - HG LEU 117 lone 2 63 - 4 - HG LEU 126 - HG LEU 117 lone 2 54 - 4 - HB3 LYS 32 - HG LEU 117 lone 2 40 - 4 - HG LEU 51 - HG LEU 117 lone 1 49 - 3 - ~6931=1 HG LEU 101 - HG LEU 117 lone 1 68 - 2 - HD3 LYS 119 - HG LEU 117 lone 1 57 - 2 - HD2 LYS 119 - HG LEU 117 lone 1 55 - 2 - HG12 ILE 63 - HG3 ARG 71 lone 1 67 - 2 - HG LEU 51 - HG3 ARG 71 lone 1 52 - 2 - HD3 LYS 32 - HG3 ARG 71 lone 1 73 - 1 - HD2 LYS 32 - HG3 ARG 71 lone 1 73 - 1 - HD2 LYS 31 - HG LEU 117 lone 1 66 - 1 - HD3 LYS 31 - HG LEU 117 lone 1 66 - 1 - HG12 ILE 63 - HG2 ARG 71 lone 1 51 - 2 - HG12 ILE 63 - HG LEU 117 lone 1 63 - 1 - HG LEU 51 - HG2 ARG 71 lone 1 38 - 2 - HD2 LYS 32 - HG2 ARG 71 lone 1 55 - 1 - HD3 LYS 32 - HG2 ARG 71 lone 1 55 - 1 - HD3 LYS 119 - HG3 ARG 71 lone 1 60 - 1 - HB3 LYS 32 - HG3 ARG 71 lone 1 43 - 1 - HD2 LYS 119 - HG3 ARG 71 lone 1 59 - 1 - HB2 LEU 59 - HG3 ARG 71 lone 0 67 - 1 - HG LEU 126 - HG3 ARG 71 lone 0 57 - 1 - HB3 LEU 126 - HG3 ARG 71 lone 0 68 - 1 - HB2 LEU 126 - HG3 ARG 71 lone 0 67 - 1 - HD3 LYS 119 - HG2 ARG 71 lone 0 45 - 1 - HB3 LYS 32 - HG2 ARG 71 lone 0 31 - 1 - HD2 LYS 119 - HG2 ARG 71 lone 0 44 - 1 - HB2 LEU 59 - HG2 ARG 71 lone 0 51 - 1 - HB3 LEU 126 - HG2 ARG 71 lone 0 51 - 1 - HG LEU 126 - HG2 ARG 71 lone 0 43 - 1 - HB2 LEU 126 - HG2 ARG 71 lone 0 51 - 1 - Peak 2392 from cnoeabs.peaks (1.76, 1.76, 26.76 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HG3 PRO 30 + HG3 PRO 30 OK 100 100 - 100 HG3 ARG 71 + HG3 ARG 71 OK 71 71 - 100 HG LEU 117 + HG LEU 117 OK 69 69 - 100 HG2 ARG 71 - HG2 ARG 71 OK 40 40 - 100 Peak 2393 from cnoeabs.peaks (3.77, 1.76, 26.76 ppm; 3.63 A): 1 out of 44 assignments used, quality = 1.00: * HD2 PRO 30 + HG3 PRO 30 OK 100 100 - 100 - 2.3=100 HD2 PRO 30 - HG3 ARG 71 OK 39 73 - 54 - 1.8/2394=5, 2350=5...(28) HA GLU 38 - HG3 PRO 30 OK 36 99 - 37 - 2358/2.3=5, 2386/1.8=5...(17) HD2 PRO 30 - HG2 ARG 71 OK 30 56 - 53 - 1.8/2394=4, 2350=4...(30) HD2 PRO 30 - HG LEU 117 OK 23 69 - 34 - 7086/2.1=5, 1.8/2394=4...(14) HB2 SER 72 - HG3 PRO 30 OK 19 97 - 20 - 7286=6, 2372/2.3=3...(9) HA LEU 54 - HG LEU 117 OK 14 52 - 27 - 3180/2.1=6, 7086/2.1=5...(10) HA CYS 87 - HG3 PRO 30 OK 11 98 - 11 - 2358/2.3=2, 2386/1.8=1 HB3 SER 74 - HG3 PRO 30 OK 11 92 - 11 - 2372/2.3=2, 4.6/1130=1...(5) HB2 SER 74 - HG3 PRO 30 OK 10 90 - 11 - 2372/2.3=1, 4.6/1130=1...(5) HB3 SER 13 - HG3 PRO 30 lone 9 100 - 9 - 2358/2.3=1, 2372/2.3=1 HA LEU 54 - HG3 PRO 30 poor 9 85 - 10 - 2386/1.8=1, 2358/2.3=1 HA GLU 38 - HG LEU 117 poor 7 66 - 11 - 7086/2.1=2 HB3 SER 35 - HG3 PRO 30 lone 6 99 - 6 - HB2 SER 72 - HG3 ARG 71 lone 5 68 - 8 - 3.9/339=5, 7286=2 HA GLU 73 - HG3 PRO 30 lone 5 76 - 6 - HB2 SER 72 - HG2 ARG 71 lone 4 51 - 7 - 3.9/339=4, 7286/1.8=2 HA CYS 87 - HG LEU 117 lone 4 65 - 5 - HA GLU 38 - HG3 ARG 71 lone 3 70 - 5 - HB3 SER 74 - HG3 ARG 71 lone 3 62 - 5 - 4.6/1130=1, 1116/4.7=1 HB2 SER 74 - HG3 ARG 71 lone 3 60 - 5 - 4.6/1130=1, 1116/4.7=1 HA GLU 38 - HG2 ARG 71 lone 2 53 - 4 - HB3 SER 13 - HG LEU 117 lone 2 69 - 3 - HA CYS 87 - HG3 ARG 71 lone 2 69 - 3 - HB2 SER 72 - HG LEU 117 lone 2 64 - 3 - HB3 SER 74 - HG LEU 117 lone 2 58 - 3 - HB2 SER 74 - HG LEU 117 lone 2 57 - 3 - HB3 SER 74 - HG2 ARG 71 lone 2 46 - 3 - 1116/4.7=1 HA CYS 87 - HG2 ARG 71 lone 1 52 - 3 - HB2 SER 74 - HG2 ARG 71 lone 1 45 - 3 - 1116/4.7=1 HA LEU 54 - HG3 ARG 71 lone 1 55 - 3 - HB3 SER 13 - HG3 ARG 71 lone 1 73 - 2 - HB3 SER 35 - HG LEU 117 lone 1 66 - 2 - HB3 SER 13 - HG2 ARG 71 lone 1 56 - 2 - HA LEU 54 - HG2 ARG 71 lone 1 41 - 2 - HA2 GLY 61 - HG3 PRO 30 lone 1 63 - 1 - HA GLU 73 - HG LEU 117 lone 1 45 - 2 - HB3 SER 35 - HG3 ARG 71 lone 1 70 - 1 - HA GLU 73 - HG3 ARG 71 lone 1 48 - 1 - HB3 SER 35 - HG2 ARG 71 lone 1 53 - 1 - HA GLU 73 - HG2 ARG 71 lone 0 36 - 1 - HA2 GLY 61 - HG3 ARG 71 lone 0 39 - 1 - HA2 GLY 61 - HG LEU 117 lone 0 36 - 1 - HA2 GLY 61 - HG2 ARG 71 lone 0 28 - 1 - Peak 2394 from cnoeabs.peaks (3.69, 1.76, 26.76 ppm; 3.58 A): 1 out of 12 assignments used, quality = 1.00: * HD3 PRO 30 + HG3 PRO 30 OK 100 100 - 100 - 2.3=100 HD3 PRO 30 - HG3 ARG 71 OK 35 73 - 48 - 2357=5, 1.8/2350=4...(22) HD3 PRO 30 - HG2 ARG 71 OK 26 56 - 47 - 2357=4, 2357/1.8=4...(24) HB2 TRP 20 - HG3 PRO 30 OK 26 92 - 28 - 2352/2.3=6, 2373/2.3=6...(7) HD3 PRO 30 - HG LEU 117 OK 23 69 - 33 - ~7086=3, 2357=3...(14) HA2 GLY 104 - HG3 PRO 30 OK 11 73 - 14 - 2373/2.3=2, 2352/2.3=2...(8) HB2 TRP 20 - HG3 ARG 71 lone 5 62 - 8 - 2031/3.0=2 HB2 TRP 20 - HG2 ARG 71 lone 4 46 - 8 - 2031/3.0=2 HB2 TRP 20 - HG LEU 117 lone 3 58 - 6 - 6.5/6591=3, 7.3/4659=2 HA2 GLY 104 - HG3 ARG 71 lone 1 46 - 3 - HA2 GLY 104 - HG2 ARG 71 lone 1 34 - 3 - HA2 GLY 104 - HG LEU 117 lone 1 44 - 2 - Peak 2395 from cnoeabs.peaks (8.49, 4.08, 56.62 ppm; 3.82 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 31 + HA LYS 31 OK 100 100 - 100 - 2.9=100 H LEU 77 - HA LYS 31 OK 25 95 - 26 - 1141/3.0=5, 118/3.6=5...(9) H GLU 28 - HA LYS 31 OK 17 100 - 17 - 2415/3.0=3, 2425/4.0=2...(6) H SER 13 - HA LYS 31 OK 13 100 - 13 - 2415/3.0=2, 2425/4.0=2...(6) H LEU 84 - HA LYS 31 OK 13 100 - 13 - 2415/3.0=2, 2425/4.0=1...(4) H TYR 102 - HA LYS 31 OK 12 87 - 14 - 2415/3.0=2, 118/3.6=1...(6) H PHE 40 - HA LYS 31 OK 10 99 - 10 - 5513/5.0=2, 118/3.6=2...(4) H GLU 38 - HA LYS 31 poor 8 73 - 10 - 5513/5.0=2, 928/5.0=2...(4) H GLY 2 - HA LYS 31 lone 3 98 - 3 - Peak 2396 from cnoeabs.peaks (4.08, 4.08, 56.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + HA LYS 31 OK 100 100 - 100 Peak 2397 from cnoeabs.peaks (1.73, 4.08, 56.62 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.0=100 HB3 LEU 55 - HA LYS 31 OK 37 99 - 38 - 2417/3.0=5, 3.0/2398=3...(21) HB3 ARG 71 - HA LYS 31 OK 29 100 - 30 - 2406=6, 893/2.9=3...(12) HB3 LEU 77 - HA LYS 31 OK 22 93 - 24 - 120/3.6=3, 893/2.9=2...(10) HG2 ARG 71 - HA LYS 31 OK 20 85 - 24 - 3.0/2406=3, 893/2.9=2...(9) HB2 LEU 91 - HA LYS 31 OK 12 97 - 13 - 893/2.9=1, 2417/3.0=1 HB2 ARG 53 - HA LYS 31 poor 9 89 - 10 - 2417/3.0=1 HB2 LEU 45 - HA LYS 31 lone 5 60 - 7 - 1.8/2400=1 HB3 LYS 46 - HA LYS 31 lone 3 65 - 5 - HB VAL 66 - HA LYS 31 lone 2 76 - 2 - Peak 2398 from cnoeabs.peaks (1.88, 4.08, 56.62 ppm; 3.08 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.0=100 HB2 LYS 119 - HA LYS 31 OK 28 100 - 28 - 2.9/2400=3, 2408/3.0=3...(12) HG LEU 55 - HA LYS 31 OK 28 100 - 28 - 3.0/2397=3, 2408/3.0=3...(13) HB2 LEU 58 - HA LYS 31 OK 19 95 - 20 - 2408/3.0=2, 1.8/2400=2...(7) HG LEU 84 - HA LYS 31 lone 10 100 - 10 - 4253/2.9=2 HB3 LYS 109 - HA LYS 31 poor 10 85 - 11 - 2.9/2400=1 HB3 GLU 28 - HA LYS 31 poor 9 92 - 10 - 2316/2.9=2, 3.8/2395=1 HB2 GLU 28 - HA LYS 31 lone 8 85 - 10 - 2310/2.9=1, 3.8/2395=1 HB2 LEU 84 - HA LYS 31 lone 8 87 - 10 - 894/2.9=1 HB VAL 50 - HA LYS 31 lone 4 100 - 4 - HG3 PRO 68 - HA LYS 31 lone 3 92 - 3 - HB2 ARG 92 - HA LYS 31 lone 3 98 - 3 - HB ILE 22 - HA LYS 31 lone 2 73 - 3 - HB2 ARG 81 - HA LYS 31 lone 2 76 - 2 - HB3 GLU 73 - HA LYS 31 lone 1 68 - 1 - Peak 2399 from cnoeabs.peaks (1.37, 4.08, 56.62 ppm; 3.33 A): 4 out of 7 assignments used, quality = 0.89: * HG2 LYS 31 + HA LYS 31 OK 79 100 - 79 - 4.0=59, 1.8/2400=10...(16) HB3 LEU 93 + HA LYS 31 OK 24 96 - 26 - 2419/3.0=4, 2409/3.0=4...(9) HB3 LEU 59 + HA LYS 31 OK 18 76 - 24 - 2419/3.0=3, 2409/3.0=3...(10) QG2 THR 121 + HA LYS 31 OK 17 99 - 17 - 8090/3.0=3, 122/3.6=2...(7) HB VAL 110 - HA LYS 31 poor 8 76 - 11 - 2419/3.0=2, 2409/3.0=1 HB2 LEU 111 - HA LYS 31 lone 6 85 - 7 - 2419/3.0=1 HB2 LEU 27 - HA LYS 31 lone 6 68 - 9 - 4.3/2395=1, 895/2.9=1 Peak 2400 from cnoeabs.peaks (1.46, 4.08, 56.62 ppm; 3.54 A): 3 out of 17 assignments used, quality = 0.94: * HG3 LYS 31 + HA LYS 31 OK 87 100 - 87 - 4.0=72, 1.8/2399=19...(15) HG2 LYS 119 + HA LYS 31 OK 36 100 - 37 - 2436=5, 2420/3.0=4...(15) HB2 LEU 93 + HA LYS 31 OK 28 100 - 28 - 1.8/2399=6, 2420/3.0=3...(9) HB3 LEU 58 - HA LYS 31 OK 17 73 - 23 - 1.8/2398=3, 2420/3.0=2...(10) HB3 LEU 101 - HA LYS 31 OK 15 73 - 21 - 5834/2.9=2, ~5833=1...(8) HG2 LYS 109 - HA LYS 31 OK 14 89 - 15 - 2436=2, 2420/3.0=2...(7) HG LEU 24 - HA LYS 31 OK 12 95 - 13 - 2216=2, 2.1/2223=2...(5) HG LEU 93 - HA LYS 31 OK 11 60 - 19 - 3.0/2399=4, ~2419=2...(8) HB3 GLU 75 - HA LYS 31 OK 11 95 - 12 - 3960/3.6=2, 4.0/5517=2...(5) HB3 LEU 45 - HA LYS 31 lone 9 95 - 10 - HD2 LYS 46 - HA LYS 31 lone 8 100 - 7 - HG LEU 91 - HA LYS 31 poor 7 68 - 10 - 3.0/2397=2 QB ALA 14 - HA LYS 31 lone 6 100 - 6 - 6314/2.9=1 HG3 ARG 57 - HA LYS 31 lone 4 100 - 4 - HD2 LYS 65 - HA LYS 31 lone 2 83 - 2 - HD3 LYS 65 - HA LYS 31 lone 2 83 - 2 - QB ALA 89 - HA LYS 31 lone 1 76 - 2 - Peak 2401 from cnoeabs.peaks (1.62, 4.08, 56.62 ppm; 3.52 A): 3 out of 19 assignments used, quality = 0.94: HD3 LYS 31 + HA LYS 31 OK 71 100 - 71 - 5.2=32, 3.0/2399=14...(22) * HD2 LYS 31 + HA LYS 31 OK 71 100 - 71 - 5.2=32, 3.0/2399=14...(22) HB2 LEU 59 + HA LYS 31 OK 23 100 - 24 - 1.8/2399=4, 3.7/7071=2...(10) HB3 LYS 32 - HA LYS 31 OK 22 87 - 25 - 4.0/119=15, ~115=1...(5) HD3 LYS 119 - HA LYS 31 OK 21 73 - 28 - 3.0/2400=4, 3.7/2398=3...(12) HD2 LYS 119 - HA LYS 31 OK 20 71 - 28 - 3.0/2400=4, 3.7/2398=3...(11) HD2 LYS 32 - HA LYS 31 OK 19 97 - 20 - 5.9/119=7, 2370/5.0=1...(4) HD3 LYS 32 - HA LYS 31 OK 19 97 - 20 - 5.9/119=7, 2370/5.0=1...(4) HG LEU 101 - HA LYS 31 OK 16 100 - 16 - 5835/2.9=2, 3.0/2400=2...(7) HG2 PRO 30 - HA LYS 31 OK 13 99 - 13 - 124/3.6=4, 5515/2.9=2...(4) HG2 ARG 53 - HA LYS 31 lone 10 97 - 10 - 3.0/2397=1 HB3 GLN 42 - HA LYS 31 lone 4 92 - 4 - HB3 LEU 126 - HA LYS 31 lone 4 87 - 4 - HB2 LEU 126 - HA LYS 31 lone 3 85 - 4 - HG LEU 51 - HA LYS 31 lone 3 95 - 3 - HG12 ILE 63 - HA LYS 31 lone 3 85 - 3 - HG LEU 126 - HA LYS 31 lone 3 68 - 4 - HB ILE 34 - HA LYS 31 lone 2 68 - 3 - ~6628=1 HG3 ARG 85 - HA LYS 31 lone 2 73 - 2 - Peak 2402 from cnoeabs.peaks (1.62, 4.08, 56.62 ppm; 3.52 A): 3 out of 19 assignments used, quality = 0.94: * HD3 LYS 31 + HA LYS 31 OK 71 100 - 71 - 5.2=32, 3.0/2399=14...(22) HD2 LYS 31 + HA LYS 31 OK 71 100 - 71 - 5.2=32, 3.0/2399=14...(22) HB2 LEU 59 + HA LYS 31 OK 23 100 - 24 - 1.8/2399=4, 3.7/7071=2...(10) HB3 LYS 32 - HA LYS 31 OK 22 87 - 25 - 4.0/119=15, ~115=1...(5) HD3 LYS 119 - HA LYS 31 OK 21 73 - 28 - 3.0/2400=4, 3.7/2398=3...(12) HD2 LYS 119 - HA LYS 31 OK 20 71 - 28 - 3.0/2400=4, 3.7/2398=3...(11) HD2 LYS 32 - HA LYS 31 OK 19 97 - 20 - 5.9/119=7, 2370/5.0=1...(4) HD3 LYS 32 - HA LYS 31 OK 19 97 - 20 - 5.9/119=7, 2370/5.0=1...(4) HG LEU 101 - HA LYS 31 OK 16 100 - 16 - 5835/2.9=2, 3.0/2400=2...(7) HG2 PRO 30 - HA LYS 31 OK 13 99 - 13 - 124/3.6=4, 5515/2.9=2...(4) HG2 ARG 53 - HA LYS 31 lone 10 97 - 10 - 3.0/2397=1 HB3 GLN 42 - HA LYS 31 lone 4 92 - 4 - HB3 LEU 126 - HA LYS 31 lone 4 87 - 4 - HB2 LEU 126 - HA LYS 31 lone 3 85 - 4 - HG LEU 51 - HA LYS 31 lone 3 95 - 3 - HG12 ILE 63 - HA LYS 31 lone 3 85 - 3 - HG LEU 126 - HA LYS 31 lone 3 68 - 4 - HB ILE 34 - HA LYS 31 lone 2 68 - 3 - ~6628=1 HG3 ARG 85 - HA LYS 31 lone 2 73 - 2 - Peak 2405 from cnoeabs.peaks (8.49, 1.73, 31.56 ppm; 4.24 A): 2 out of 18 assignments used, quality = 1.00: * H LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 4.0=100 H LYS 31 + HB3 ARG 71 OK 45 100 - 46 - 893=7, 111/3.0=5...(14) H LEU 77 - HB2 LYS 31 OK 40 95 - 42 - 1141=8, 2415/1.8=5...(17) H GLU 28 - HB2 LYS 31 OK 22 100 - 22 - 2415/1.8=4, 2395/3.0=3...(8) H SER 13 - HB2 LYS 31 OK 18 100 - 18 - 2415/1.8=3, 2425/2.9=2...(9) H TYR 102 - HB2 LYS 31 OK 17 87 - 20 - 2415/1.8=2, 2425/2.9=2...(9) H LEU 84 - HB2 LYS 31 OK 17 100 - 17 - 2415/1.8=3, 2395/3.0=2...(5) H PHE 40 - HB2 LYS 31 OK 11 99 - 11 - 2395/3.0=2, 2415/1.8=2...(4) H TYR 102 - HB3 ARG 71 poor 9 86 - 11 - 500/3.0=2, 3.6/3855=2...(4) H LEU 77 - HB3 ARG 71 lone 9 94 - 9 - 1141=1, 1651/4.3=1 H GLU 38 - HB2 LYS 31 lone 7 73 - 9 - 2395/3.0=1, 118/4.7=1 H LEU 84 - HB3 ARG 71 lone 7 100 - 7 - 407/3.6=1, 407/3.6=1 H GLY 2 - HB2 LYS 31 lone 4 98 - 4 - H PHE 40 - HB3 ARG 71 lone 4 98 - 4 - H GLU 28 - HB3 ARG 71 lone 3 100 - 3 - H SER 13 - HB3 ARG 71 lone 3 99 - 3 - H GLU 38 - HB3 ARG 71 lone 2 72 - 3 - H GLY 2 - HB3 ARG 71 lone 1 97 - 1 - Peak 2406 from cnoeabs.peaks (4.08, 1.73, 31.56 ppm; 3.42 A): 1 out of 12 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.0=100 HA VAL 120 - HB2 LYS 31 OK 34 100 - 34 - 2416/1.8=7, 2426/2.9=5...(16) HA LYS 31 - HB3 ARG 71 OK 32 100 - 33 - 2397=6, 2.9/893=3...(13) HA LEU 55 - HB2 LYS 31 OK 31 68 - 46 - 2416/1.8=6, 3222=4...(21) HA LEU 24 - HB2 LYS 31 OK 15 93 - 16 - 2416/1.8=3, 2426/2.9=2...(5) HA LEU 55 - HB3 ARG 71 lone 6 67 - 9 - HA SER 44 - HB2 LYS 31 lone 5 92 - 6 - HA SER 112 - HB2 LYS 31 lone 5 73 - 6 - HA SER 44 - HB3 ARG 71 lone 2 91 - 2 - HA VAL 120 - HB3 ARG 71 lone 2 100 - 2 - HA LEU 24 - HB3 ARG 71 lone 1 92 - 2 - HA SER 112 - HB3 ARG 71 lone 1 72 - 1 - Peak 2407 from cnoeabs.peaks (1.73, 1.73, 31.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 99 99 - 100 Peak 2408 from cnoeabs.peaks (1.88, 1.73, 31.56 ppm; 2.55 A): 1 out of 30 assignments used, quality = 1.00: * HB3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 1.8=100 HG LEU 55 - HB2 LYS 31 OK 26 100 - 27 - 2.1/3250=3, 2.1/3257=2...(10) HB2 LYS 119 - HB2 LYS 31 OK 22 100 - 23 - 2428/2.9=2, 5204/2.9=2...(6) HB3 LYS 31 - HB3 ARG 71 OK 19 100 - 19 - 2417=4, 3.0/2406=2...(7) HB2 LEU 58 - HB2 LYS 31 OK 16 95 - 17 - 2428/2.9=2, 2398/3.0=1 HB3 LYS 109 - HB2 LYS 31 lone 8 85 - 10 - HB3 GLU 28 - HB2 LYS 31 lone 6 92 - 7 - HG LEU 84 - HB2 LYS 31 lone 6 100 - 6 - HB2 GLU 28 - HB2 LYS 31 lone 6 85 - 7 - HG LEU 55 - HB3 ARG 71 lone 5 100 - 5 - HB2 LEU 84 - HB2 LYS 31 lone 5 87 - 5 - HB2 ARG 81 - HB3 ARG 71 lone 4 75 - 6 - HB VAL 50 - HB2 LYS 31 lone 3 100 - 3 - HG3 PRO 68 - HB2 LYS 31 lone 3 92 - 3 - HB2 ARG 92 - HB2 LYS 31 lone 3 98 - 3 - HG3 PRO 68 - HB3 ARG 71 lone 2 91 - 2 - HB ILE 22 - HB2 LYS 31 lone 2 73 - 2 - HB3 LYS 109 - HB3 ARG 71 lone 1 84 - 2 - HB2 LYS 119 - HB3 ARG 71 lone 1 100 - 1 - HB2 ARG 81 - HB2 LYS 31 lone 1 76 - 2 - HB2 ARG 92 - HB3 ARG 71 lone 1 97 - 1 - HB VAL 50 - HB3 ARG 71 lone 1 100 - 1 - HB2 LEU 58 - HB3 ARG 71 lone 1 94 - 1 - HG LEU 84 - HB3 ARG 71 lone 1 100 - 1 - HB2 LEU 84 - HB3 ARG 71 lone 1 86 - 1 - HB3 GLU 73 - HB2 LYS 31 lone 1 68 - 1 - HB3 GLU 28 - HB3 ARG 71 lone 0 91 - 1 - HB2 GLU 28 - HB3 ARG 71 lone 0 84 - 1 - HB ILE 22 - HB3 ARG 71 lone 0 72 - 0 - HB3 GLU 73 - HB3 ARG 71 lone 0 67 - 0 - Peak 2409 from cnoeabs.peaks (1.37, 1.73, 31.56 ppm; 3.58 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 2.9=100 HB3 LEU 93 - HB2 LYS 31 OK 40 96 - 42 - 2419/1.8=7, 2399/3.0=4...(16) HG2 LYS 31 - HB3 ARG 71 OK 30 100 - 30 - 2427=5, 2.9/2417=3...(12) HB3 LEU 59 - HB2 LYS 31 OK 29 76 - 39 - 2419/1.8=5, 2399/3.0=3...(19) QG2 THR 121 - HB2 LYS 31 OK 18 99 - 18 - 8090/1.8=4, 2399/3.0=3...(6) HB VAL 110 - HB2 LYS 31 OK 15 76 - 20 - 2419/1.8=3, 2399/3.0=2...(7) HB2 LEU 111 - HB2 LYS 31 poor 10 85 - 11 - 2419/1.8=2, 2399/3.0=1 HB2 LEU 27 - HB2 LYS 31 lone 6 68 - 9 - 2419/1.8=1, 2399/3.0=1...(4) HB3 LEU 93 - HB3 ARG 71 lone 3 95 - 3 - HB VAL 110 - HB3 ARG 71 lone 3 75 - 4 - ~7867=1 QG2 THR 121 - HB3 ARG 71 lone 2 99 - 2 - HB2 LEU 111 - HB3 ARG 71 lone 2 84 - 2 - HB3 LEU 59 - HB3 ARG 71 lone 1 75 - 2 - HB2 LEU 27 - HB3 ARG 71 lone 1 67 - 2 - Peak 2410 from cnoeabs.peaks (1.46, 1.73, 31.56 ppm; 3.44 A): 2 out of 34 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 2.9=100 HG2 LYS 119 + HB2 LYS 31 OK 46 100 - 46 - 2437=5, 2420/1.8=5...(21) HB2 LEU 93 - HB2 LYS 31 OK 39 100 - 39 - 1.8/2409=5, 2420/1.8=4...(16) HB3 LEU 45 - HB3 ARG 71 OK 28 94 - 30 - 2893/3.0=3, 2893/3.0=3...(13) HG3 LYS 31 - HB3 ARG 71 OK 28 100 - 28 - 1.8/2409=4, 2437=3...(14) HB3 GLU 75 - HB3 ARG 71 OK 27 94 - 29 - 8334/4.0=12, 7318/3.0=4...(7) HB3 LEU 58 - HB2 LYS 31 OK 23 73 - 32 - 1.8/2408=3, 2420/1.8=3...(13) HG LEU 93 - HB2 LYS 31 OK 18 60 - 31 - 3.0/2409=4, ~2419=3...(11) HG2 LYS 109 - HB2 LYS 31 OK 18 89 - 20 - 2420/1.8=2, 2437=2...(6) HB3 LEU 101 - HB3 ARG 71 OK 15 72 - 20 - 7279/4.0=2, ~7704=2...(9) HB3 LEU 101 - HB2 LYS 31 OK 14 73 - 19 - 2420/1.8=1, 2400/3.0=1...(6) HG LEU 91 - HB2 LYS 31 OK 12 68 - 17 - 2.1/4402=2, 2.1/4409=2...(7) HG LEU 91 - HB3 ARG 71 OK 12 67 - 17 - 2.1/4402=2, 3.0/4388=2...(5) HD2 LYS 46 - HB3 ARG 71 OK 12 99 - 12 - HG LEU 24 - HB2 LYS 31 OK 11 95 - 11 - 2216/3.0=1, 2420/1.8=1 HB3 LEU 45 - HB2 LYS 31 OK 11 95 - 11 - 2420/1.8=1 HD2 LYS 46 - HB2 LYS 31 OK 10 100 - 10 - 2420/1.8=1 HB3 GLU 75 - HB2 LYS 31 poor 10 95 - 10 - 3960/4.7=1, 896/4.0=1 QB ALA 14 - HB2 LYS 31 lone 5 100 - 5 - HG3 ARG 57 - HB2 LYS 31 lone 4 100 - 4 - HB2 LEU 93 - HB3 ARG 71 lone 4 100 - 4 - HG2 LYS 119 - HB3 ARG 71 lone 3 100 - 3 - HG2 LYS 109 - HB3 ARG 71 lone 3 88 - 4 - QB ALA 89 - HB2 LYS 31 lone 2 76 - 3 - HG3 ARG 57 - HB3 ARG 71 lone 2 99 - 2 - HD2 LYS 65 - HB2 LYS 31 lone 2 83 - 2 - HD3 LYS 65 - HB2 LYS 31 lone 2 83 - 2 - HG LEU 24 - HB3 ARG 71 lone 2 94 - 2 - QB ALA 89 - HB3 ARG 71 lone 2 75 - 2 - QB ALA 14 - HB3 ARG 71 lone 2 100 - 2 - HG LEU 93 - HB3 ARG 71 lone 1 59 - 2 - HD3 LYS 65 - HB3 ARG 71 lone 1 82 - 1 - HD2 LYS 65 - HB3 ARG 71 lone 1 82 - 1 - HB3 LEU 58 - HB3 ARG 71 lone 1 72 - 1 - Peak 2411 from cnoeabs.peaks (1.62, 1.73, 31.56 ppm; 3.81 A): 3 out of 38 assignments used, quality = 1.00: * HD2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.4=100 HD3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.4=100 HG2 PRO 30 + HB3 ARG 71 OK 50 98 - 51 - 2.3/3856=4, 2381/3.0=4...(34) HB2 LEU 59 - HB2 LYS 31 OK 38 100 - 39 - 1.8/2409=4, ~2419=4...(18) HD3 LYS 119 - HB2 LYS 31 OK 33 73 - 45 - 3.0/2437=3, 3.7/2408=3...(30) HD2 LYS 119 - HB2 LYS 31 OK 31 71 - 45 - 3.0/2437=3, 3.7/2408=3...(30) HG2 ARG 53 - HB3 ARG 71 OK 30 96 - 32 - 3.0/3861=4, 3151/3.6=3...(17) HD3 LYS 31 - HB3 ARG 71 OK 28 100 - 28 - 3.0/2409=4, 3.4/2417=3...(12) HD2 LYS 31 - HB3 ARG 71 OK 28 100 - 28 - 3.0/2409=4, 3.4/2417=3...(12) HB3 GLN 42 - HB3 ARG 71 OK 26 91 - 29 - 3.0/3860=4, 2836/3.6=3...(14) HG LEU 101 - HB3 ARG 71 OK 25 100 - 25 - ~7704=3, ~4673=2...(16) HB3 LYS 32 - HB2 LYS 31 OK 24 87 - 28 - 4.0/120=10, 2401/3.0=2...(5) HD2 LYS 32 - HB2 LYS 31 OK 24 97 - 25 - 5.9/120=5, 2421/1.8=2...(9) HD3 LYS 32 - HB2 LYS 31 OK 24 97 - 25 - 5.9/120=5, 2422/1.8=2...(9) HG LEU 101 - HB2 LYS 31 OK 21 100 - 21 - 5835/4.0=2, ~8445=2...(8) HG2 ARG 53 - HB2 LYS 31 OK 20 97 - 20 - 3.0/3861=2, 1.8/3155=2...(7) HG2 PRO 30 - HB2 LYS 31 OK 18 99 - 18 - 125/4.7=3, 5515/4.0=2...(6) HG12 ILE 63 - HB2 LYS 31 lone 6 85 - 7 - 2.1/8310=2, 3.2/7138=1 HB3 LYS 32 - HB3 ARG 71 lone 5 86 - 5 - 4.0/120=3 HB3 GLN 42 - HB2 LYS 31 lone 5 92 - 5 - HB3 LEU 126 - HB2 LYS 31 lone 4 87 - 5 - HB2 LEU 126 - HB2 LYS 31 lone 4 85 - 5 - HB ILE 34 - HB3 ARG 71 lone 4 67 - 6 - HD3 LYS 32 - HB3 ARG 71 lone 3 96 - 3 - 5.9/120=2 HD2 LYS 32 - HB3 ARG 71 lone 3 96 - 3 - 5.9/120=2 HG12 ILE 63 - HB3 ARG 71 lone 3 84 - 4 - 2.1/8310=1 HG LEU 51 - HB2 LYS 31 lone 3 95 - 3 - HG LEU 126 - HB2 LYS 31 lone 3 68 - 4 - HG LEU 51 - HB3 ARG 71 lone 3 94 - 3 - HG3 ARG 85 - HB2 LYS 31 lone 2 73 - 3 - HB2 LEU 59 - HB3 ARG 71 lone 2 100 - 2 - HB ILE 34 - HB2 LYS 31 lone 2 68 - 3 - HD3 LYS 119 - HB3 ARG 71 lone 2 72 - 2 - HD2 LYS 119 - HB3 ARG 71 lone 2 70 - 2 - HB3 LEU 126 - HB3 ARG 71 lone 1 86 - 1 - HG3 ARG 85 - HB3 ARG 71 lone 1 72 - 1 - HB2 LEU 126 - HB3 ARG 71 lone 1 84 - 1 - HG LEU 126 - HB3 ARG 71 lone 1 67 - 1 - Peak 2412 from cnoeabs.peaks (1.62, 1.73, 31.56 ppm; 3.81 A): 3 out of 38 assignments used, quality = 1.00: HD2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.4=100 * HD3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.4=100 HG2 PRO 30 + HB3 ARG 71 OK 50 98 - 51 - 2.3/3856=4, 2381/3.0=4...(34) HB2 LEU 59 - HB2 LYS 31 OK 38 100 - 39 - 1.8/2409=4, ~2419=4...(18) HD3 LYS 119 - HB2 LYS 31 OK 33 73 - 45 - 3.0/2437=3, 3.7/2408=3...(30) HD2 LYS 119 - HB2 LYS 31 OK 31 71 - 45 - 3.0/2437=3, 3.7/2408=3...(30) HG2 ARG 53 - HB3 ARG 71 OK 30 96 - 32 - 3.0/3861=4, 3151/3.6=3...(17) HD3 LYS 31 - HB3 ARG 71 OK 28 100 - 28 - 3.0/2409=4, 3.4/2417=3...(12) HD2 LYS 31 - HB3 ARG 71 OK 28 100 - 28 - 3.0/2409=4, 3.4/2417=3...(12) HB3 GLN 42 - HB3 ARG 71 OK 26 91 - 29 - 3.0/3860=4, 2836/3.6=3...(14) HG LEU 101 - HB3 ARG 71 OK 25 100 - 25 - ~7704=3, ~4673=2...(16) HB3 LYS 32 - HB2 LYS 31 OK 24 87 - 28 - 4.0/120=10, 2401/3.0=2...(5) HD2 LYS 32 - HB2 LYS 31 OK 24 97 - 25 - 5.9/120=5, 2421/1.8=2...(9) HD3 LYS 32 - HB2 LYS 31 OK 24 97 - 25 - 5.9/120=5, 2422/1.8=2...(9) HG LEU 101 - HB2 LYS 31 OK 21 100 - 21 - 5835/4.0=2, ~8445=2...(8) HG2 ARG 53 - HB2 LYS 31 OK 20 97 - 20 - 3.0/3861=2, 1.8/3155=2...(7) HG2 PRO 30 - HB2 LYS 31 OK 18 99 - 18 - 125/4.7=3, 5515/4.0=2...(6) HG12 ILE 63 - HB2 LYS 31 lone 6 85 - 7 - 2.1/8310=2, 3.2/7138=1 HB3 LYS 32 - HB3 ARG 71 lone 5 86 - 5 - 4.0/120=3 HB3 GLN 42 - HB2 LYS 31 lone 5 92 - 5 - HB3 LEU 126 - HB2 LYS 31 lone 4 87 - 5 - HB2 LEU 126 - HB2 LYS 31 lone 4 85 - 5 - HB ILE 34 - HB3 ARG 71 lone 4 67 - 6 - HD3 LYS 32 - HB3 ARG 71 lone 3 96 - 3 - 5.9/120=2 HD2 LYS 32 - HB3 ARG 71 lone 3 96 - 3 - 5.9/120=2 HG12 ILE 63 - HB3 ARG 71 lone 3 84 - 4 - 2.1/8310=1 HG LEU 51 - HB2 LYS 31 lone 3 95 - 3 - HG LEU 126 - HB2 LYS 31 lone 3 68 - 4 - HG LEU 51 - HB3 ARG 71 lone 3 94 - 3 - HG3 ARG 85 - HB2 LYS 31 lone 2 73 - 3 - HB2 LEU 59 - HB3 ARG 71 lone 2 100 - 2 - HB ILE 34 - HB2 LYS 31 lone 2 68 - 3 - HD3 LYS 119 - HB3 ARG 71 lone 2 72 - 2 - HD2 LYS 119 - HB3 ARG 71 lone 2 70 - 2 - HB3 LEU 126 - HB3 ARG 71 lone 1 86 - 1 - HG3 ARG 85 - HB3 ARG 71 lone 1 72 - 1 - HB2 LEU 126 - HB3 ARG 71 lone 1 84 - 1 - HG LEU 126 - HB3 ARG 71 lone 1 67 - 1 - Peak 2414 from cnoeabs.peaks (2.97, 1.73, 31.56 ppm; 5.30 A): 2 out of 12 assignments used, quality = 1.00: HE2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 4.6=100 * HE3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 4.6=100 HA VAL 110 - HB2 LYS 31 OK 32 96 - 33 - 2424/1.8=5, 2434/2.9=4...(14) HE3 LYS 31 - HB3 ARG 71 OK 29 100 - 30 - 3.8/2409=5, 4.6/2417=4...(14) HE2 LYS 31 - HB3 ARG 71 OK 29 100 - 30 - 3.8/2409=5, 4.6/2417=4...(14) HB2 ASN 12 - HB2 LYS 31 OK 15 95 - 16 - 2424/1.8=2, 8250/3.0=2...(6) HA VAL 110 - HB3 ARG 71 lone 9 95 - 9 - ~7867=2, ~7882=2, ~7877=1 HB3 TYR 102 - HB2 LYS 31 poor 9 65 - 13 - 4.0/2405=2, 7349/4021=2...(5) HB3 TYR 102 - HB3 ARG 71 lone 4 64 - 7 - 4.0/2405=1 HG3 GLU 82 - HB2 LYS 31 lone 3 76 - 4 - HB2 ASN 12 - HB3 ARG 71 lone 2 94 - 2 - HG3 GLU 82 - HB3 ARG 71 lone 2 75 - 2 - Peak 2415 from cnoeabs.peaks (8.49, 1.88, 31.56 ppm; 4.38 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 4.0=100 H LEU 77 - HB3 LYS 31 OK 35 95 - 37 - 1141/1.8=8, 1651/4.7=5...(14) H GLU 28 - HB3 LYS 31 OK 25 100 - 25 - 2395/3.0=3, 2425/2.9=3...(11) H SER 13 - HB3 LYS 31 OK 19 100 - 19 - 2425/2.9=3, 17/4.6=2...(9) H LEU 84 - HB3 LYS 31 OK 19 100 - 19 - 2395/3.0=2, 2425/2.9=2...(7) H TYR 102 - HB3 LYS 31 OK 16 87 - 18 - 2425/2.9=2, 2395/3.0=2...(8) H PHE 40 - HB3 LYS 31 OK 10 99 - 10 - 2395/3.0=2, 118/4.7=2...(4) H GLU 38 - HB3 LYS 31 lone 7 73 - 9 - 2395/3.0=1, 118/4.7=1 H GLY 2 - HB3 LYS 31 lone 4 98 - 4 - Peak 2416 from cnoeabs.peaks (4.08, 1.88, 31.56 ppm; 3.25 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.0=100 HA VAL 120 - HB3 LYS 31 OK 32 100 - 32 - 2426/2.9=5, 2406/1.8=5...(15) HA LEU 55 - HB3 LYS 31 OK 27 68 - 39 - 3.0/2417=5, 2406/1.8=4...(19) HA LEU 24 - HB3 LYS 31 OK 13 93 - 14 - 2406/1.8=2, 2426/2.9=2...(5) HA SER 44 - HB3 LYS 31 lone 5 92 - 5 - HA SER 112 - HB3 LYS 31 lone 5 73 - 6 - Peak 2417 from cnoeabs.peaks (1.73, 1.88, 31.56 ppm; 2.55 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 1.8=100 HB3 LEU 55 - HB3 LYS 31 OK 30 99 - 30 - 2427/2.9=2, 2397/3.0=2...(15) HB3 ARG 71 - HB3 LYS 31 OK 17 100 - 17 - 2408=4, 2406/3.0=2...(6) HB3 LEU 77 - HB3 LYS 31 OK 13 93 - 14 - 2397/3.0=1, ~4000=1...(6) HG2 ARG 71 - HB3 LYS 31 OK 12 85 - 14 - 3.0/2408=2, 2397/3.0=1...(4) HB2 LEU 91 - HB3 LYS 31 lone 9 97 - 9 - HB2 ARG 53 - HB3 LYS 31 lone 7 89 - 8 - HB3 LYS 46 - HB3 LYS 31 lone 3 65 - 4 - HB2 LEU 45 - HB3 LYS 31 lone 3 60 - 4 - HB VAL 66 - HB3 LYS 31 lone 1 76 - 1 - Peak 2418 from cnoeabs.peaks (1.88, 1.88, 31.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 Peak 2419 from cnoeabs.peaks (1.37, 1.88, 31.56 ppm; 3.48 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 2.9=100 HB3 LEU 93 - HB3 LYS 31 OK 38 96 - 40 - 2409/1.8=5, 2399/3.0=4...(16) HB3 LEU 59 - HB3 LYS 31 OK 29 76 - 39 - 2409/1.8=4, 2399/3.0=3...(19) QG2 THR 121 - HB3 LYS 31 OK 21 99 - 21 - 8090=4, 2399/3.0=3...(7) HB VAL 110 - HB3 LYS 31 OK 15 76 - 20 - 2409/1.8=2, 3.0/2424=2...(7) HB2 LEU 111 - HB3 LYS 31 poor 9 85 - 11 - 2409/1.8=1, 2399/3.0=1 HB2 LEU 27 - HB3 LYS 31 poor 7 68 - 10 - 4.3/2415=2, 2399/3.0=1 Peak 2420 from cnoeabs.peaks (1.46, 1.88, 31.56 ppm; 3.48 A): 2 out of 17 assignments used, quality = 1.00: * HG3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 2.9=100 HG2 LYS 119 + HB3 LYS 31 OK 48 100 - 48 - 2430/2.9=4, 5222=4...(22) HB2 LEU 93 - HB3 LYS 31 OK 40 100 - 40 - 1.8/2419=6, 2430/2.9=4...(16) HB3 LEU 58 - HB3 LYS 31 OK 27 73 - 37 - 3363=3, 3.0/3370=2...(17) HG2 LYS 109 - HB3 LYS 31 OK 20 89 - 22 - 1.8/4923=2, 2430/2.9=2...(7) HG LEU 93 - HB3 LYS 31 OK 18 60 - 30 - 3.0/2419=5, ~2409=2...(12) HB3 LEU 101 - HB3 LYS 31 OK 14 73 - 19 - 2400/3.0=1, 5834/4.0=1...(4) HG LEU 24 - HB3 LYS 31 OK 11 95 - 12 - 4.3/2416=1, 2216/3.0=1 HD2 LYS 46 - HB3 LYS 31 OK 11 100 - 11 - HB3 LEU 45 - HB3 LYS 31 OK 10 95 - 11 - HG LEU 91 - HB3 LYS 31 poor 10 68 - 15 - 3.0/2417=2, ~4402=1...(4) HB3 GLU 75 - HB3 LYS 31 lone 9 95 - 10 - 4.0/5519=2, 3960/4.7=2...(4) QB ALA 14 - HB3 LYS 31 lone 5 100 - 5 - HG3 ARG 57 - HB3 LYS 31 lone 5 100 - 5 - HD2 LYS 65 - HB3 LYS 31 lone 2 83 - 2 - HD3 LYS 65 - HB3 LYS 31 lone 2 83 - 2 - QB ALA 89 - HB3 LYS 31 lone 2 76 - 2 - Peak 2421 from cnoeabs.peaks (1.62, 1.88, 31.56 ppm; 3.51 A): 2 out of 19 assignments used, quality = 1.00: HD3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.4=100 * HD2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.4=100 HB2 LEU 59 - HB3 LYS 31 OK 34 100 - 34 - 1.8/2419=5, 3.0/8414=3...(14) HD3 LYS 119 - HB3 LYS 31 OK 30 73 - 41 - 3.0/2420=4, 3.7/5212=2...(18) HD2 LYS 119 - HB3 LYS 31 OK 29 71 - 41 - 3.0/2420=4, 3.7/5212=2...(22) HB3 LYS 32 - HB3 LYS 31 OK 21 87 - 24 - 4.0/5519=9, 2402/3.0=2...(4) HD2 LYS 32 - HB3 LYS 31 OK 21 97 - 21 - 5.9/5519=5, 2401/3.0=2...(5) HD3 LYS 32 - HB3 LYS 31 OK 21 97 - 21 - 5.9/5519=5, 2401/3.0=2...(5) HG LEU 101 - HB3 LYS 31 OK 16 100 - 16 - 5835/4.0=1, 2401/3.0=1...(6) HG2 ARG 53 - HB3 LYS 31 OK 15 97 - 15 - 1.8/4432=1, 3.0/2417=1, ~3861=1 HG2 PRO 30 - HB3 LYS 31 OK 14 99 - 14 - 125/4.7=2, 5515/4.0=2...(4) HG12 ILE 63 - HB3 LYS 31 lone 4 85 - 4 - HB3 LEU 126 - HB3 LYS 31 lone 4 87 - 4 - HB3 GLN 42 - HB3 LYS 31 lone 4 92 - 4 - HB2 LEU 126 - HB3 LYS 31 lone 4 85 - 4 - HG LEU 51 - HB3 LYS 31 lone 3 95 - 3 - HG3 ARG 85 - HB3 LYS 31 lone 2 73 - 3 - HG LEU 126 - HB3 LYS 31 lone 2 68 - 3 - HB ILE 34 - HB3 LYS 31 lone 2 68 - 2 - Peak 2422 from cnoeabs.peaks (1.62, 1.88, 31.56 ppm; 3.51 A): 2 out of 19 assignments used, quality = 1.00: * HD3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.4=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.4=100 HB2 LEU 59 - HB3 LYS 31 OK 34 100 - 34 - 1.8/2419=5, 3.0/8414=3...(14) HD3 LYS 119 - HB3 LYS 31 OK 30 73 - 41 - 3.0/2420=4, 3.7/5212=2...(18) HD2 LYS 119 - HB3 LYS 31 OK 29 71 - 41 - 3.0/2420=4, 3.7/5212=2...(22) HB3 LYS 32 - HB3 LYS 31 OK 21 87 - 24 - 4.0/5519=9, 2402/3.0=2...(4) HD2 LYS 32 - HB3 LYS 31 OK 21 97 - 21 - 5.9/5519=5, 2401/3.0=2...(5) HD3 LYS 32 - HB3 LYS 31 OK 21 97 - 21 - 5.9/5519=5, 2401/3.0=2...(5) HG LEU 101 - HB3 LYS 31 OK 16 100 - 16 - 5835/4.0=1, 2401/3.0=1...(6) HG2 ARG 53 - HB3 LYS 31 OK 15 97 - 15 - 1.8/4432=1, 3.0/2417=1, ~3861=1 HG2 PRO 30 - HB3 LYS 31 OK 14 99 - 14 - 125/4.7=2, 5515/4.0=2...(4) HG12 ILE 63 - HB3 LYS 31 lone 4 85 - 4 - HB3 LEU 126 - HB3 LYS 31 lone 4 87 - 4 - HB3 GLN 42 - HB3 LYS 31 lone 4 92 - 4 - HB2 LEU 126 - HB3 LYS 31 lone 4 85 - 4 - HG LEU 51 - HB3 LYS 31 lone 3 95 - 3 - HG3 ARG 85 - HB3 LYS 31 lone 2 73 - 3 - HG LEU 126 - HB3 LYS 31 lone 2 68 - 3 - HB ILE 34 - HB3 LYS 31 lone 2 68 - 2 - Peak 2424 from cnoeabs.peaks (2.97, 1.88, 31.56 ppm; 5.00 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 4.6=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 4.6=100 HA VAL 110 - HB3 LYS 31 OK 30 96 - 31 - 2434/2.9=4, 3.0/553=4...(13) HB2 ASN 12 - HB3 LYS 31 OK 14 95 - 15 - 4.6/2415=2, 8250/3.0=2...(6) HB3 TYR 102 - HB3 LYS 31 poor 8 65 - 12 - 4.0/2415=2, 4698/4.0=1 HG3 GLU 82 - HB3 LYS 31 lone 2 76 - 3 - Peak 2425 from cnoeabs.peaks (8.49, 1.37, 24.75 ppm; 4.72 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 4.7=100 H LEU 77 - HG2 LYS 31 OK 31 95 - 33 - 1141/2.9=7, 2415/2.9=5...(12) H GLU 28 - HG2 LYS 31 OK 25 100 - 25 - 2415/2.9=4, 2395/4.0=3...(11) H SER 13 - HG2 LYS 31 OK 21 100 - 21 - 17/3.8=3, 17/3.8=3...(9) H TYR 102 - HG2 LYS 31 OK 18 87 - 21 - 2415/2.9=2, 4.9/8445=2...(10) H LEU 84 - HG2 LYS 31 OK 18 100 - 18 - 2415/2.9=3, 2395/4.0=2...(7) H PHE 40 - HG2 LYS 31 OK 10 99 - 10 - 2395/4.0=2, 2415/2.9=2...(4) H GLU 38 - HG2 LYS 31 lone 7 73 - 9 - 6704/1.8=1, 2395/4.0=1...(4) H GLY 2 - HG2 LYS 31 lone 4 98 - 4 - Peak 2426 from cnoeabs.peaks (4.08, 1.37, 24.75 ppm; 3.60 A): 2 out of 6 assignments used, quality = 0.93: * HA LYS 31 + HG2 LYS 31 OK 89 100 - 89 - 4.0=75, 2400/1.8=12...(16) HA VAL 120 + HG2 LYS 31 OK 38 100 - 38 - 2416/2.9=5, 2406/2.9=4...(19) HA LEU 55 - HG2 LYS 31 OK 26 68 - 38 - 3.0/2427=5, 2416/2.9=5...(17) HA LEU 24 - HG2 LYS 31 OK 14 93 - 15 - 2198/1.8=2, 2416/2.9=2...(6) HA SER 112 - HG2 LYS 31 lone 5 73 - 7 - 3.0/567=1 HA SER 44 - HG2 LYS 31 lone 5 92 - 6 - Peak 2427 from cnoeabs.peaks (1.73, 1.37, 24.75 ppm; 3.49 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 2.9=100 HB3 LEU 55 - HG2 LYS 31 OK 45 99 - 46 - 2417/2.9=5, 2437/1.8=4...(25) HB3 ARG 71 - HG2 LYS 31 OK 27 100 - 28 - 2409=5, 2417/2.9=3...(11) HG2 ARG 71 - HG2 LYS 31 OK 21 85 - 24 - 3.0/2409=3, 2417/2.9=2...(7) HB3 LEU 77 - HG2 LYS 31 OK 20 93 - 22 - 2417/2.9=2, 2397/4.0=2...(10) HB2 LEU 91 - HG2 LYS 31 OK 18 97 - 18 - 3.1/8371=2, 2437/1.8=2...(5) HB2 ARG 53 - HG2 LYS 31 OK 13 89 - 14 - 2417/2.9=1, 3133/3.0=1...(4) HB2 LEU 45 - HG2 LYS 31 lone 5 60 - 9 - 1.8/2430=1 HB3 LYS 46 - HG2 LYS 31 lone 5 65 - 8 - HB VAL 66 - HG2 LYS 31 lone 2 76 - 2 - Peak 2428 from cnoeabs.peaks (1.88, 1.37, 24.75 ppm; 3.52 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 2.9=100 HB2 LYS 119 - HG2 LYS 31 OK 44 100 - 45 - 5204/1.8=5, 2.9/2430=4...(21) HG LEU 55 - HG2 LYS 31 OK 37 100 - 37 - 3.0/2427=5, 3243/2.9=4...(19) HB2 LEU 58 - HG2 LYS 31 OK 33 95 - 35 - 1.8/8306=4, 3.1/6367=3...(14) HB3 LYS 109 - HG2 LYS 31 OK 17 85 - 20 - 4904/1.8=2, 2.9/2430=2...(4) HG LEU 84 - HG2 LYS 31 OK 11 100 - 11 - 4253/4.7=2 HB3 GLU 28 - HG2 LYS 31 OK 11 92 - 11 - 3.8/2425=2, 2316/4.7=1 HB2 GLU 28 - HG2 LYS 31 poor 10 85 - 11 - 3.8/2425=2, 2310/4.7=1 HB2 LEU 84 - HG2 LYS 31 poor 9 87 - 10 - 4.0/2425=1 HB VAL 50 - HG2 LYS 31 lone 6 100 - 6 - HB2 ARG 92 - HG2 LYS 31 lone 5 98 - 5 - 4.2/1233=2 HG3 PRO 68 - HG2 LYS 31 lone 4 92 - 4 - HB ILE 22 - HG2 LYS 31 lone 4 73 - 5 - HB2 ARG 81 - HG2 LYS 31 lone 2 76 - 3 - HB3 GLU 73 - HG2 LYS 31 lone 1 68 - 1 - Peak 2429 from cnoeabs.peaks (1.37, 1.37, 24.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 Peak 2430 from cnoeabs.peaks (1.46, 1.37, 24.75 ppm; 2.40 A): 1 out of 17 assignments used, quality = 1.00: * HG3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 1.8=100 HG2 LYS 119 - HG2 LYS 31 OK 23 100 - 24 - 2439=5, 2.9/2428=2...(8) HB2 LEU 93 - HG2 LYS 31 OK 21 100 - 21 - 4480=3, 2420/2.9=1...(8) HB3 LEU 58 - HG2 LYS 31 OK 12 73 - 16 - 8306=2, 1.8/2428=2...(4) HG2 LYS 109 - HG2 LYS 31 poor 9 89 - 10 - 2439=2 HG LEU 93 - HG2 LYS 31 poor 9 60 - 15 - 2.1/4508=2, 3.0/4480=2 HB3 LEU 101 - HG2 LYS 31 lone 6 73 - 8 - HG LEU 91 - HG2 LYS 31 lone 5 68 - 7 - 2.1/8371=1 HB3 LEU 45 - HG2 LYS 31 lone 4 95 - 4 - HG LEU 24 - HG2 LYS 31 lone 4 95 - 4 - HD2 LYS 46 - HG2 LYS 31 lone 4 100 - 4 - HB3 GLU 75 - HG2 LYS 31 lone 4 95 - 4 - QB ALA 14 - HG2 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HG2 LYS 31 lone 2 100 - 2 - HD2 LYS 65 - HG2 LYS 31 lone 1 83 - 1 - HD3 LYS 65 - HG2 LYS 31 lone 1 83 - 1 - QB ALA 89 - HG2 LYS 31 lone 1 76 - 1 - Peak 2431 from cnoeabs.peaks (1.62, 1.37, 24.75 ppm; 3.02 A): 2 out of 19 assignments used, quality = 1.00: HD3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 * HD2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HB2 LEU 59 - HG2 LYS 31 OK 28 100 - 28 - 3399=3, 3.0/3413=2...(16) HD3 LYS 119 - HG2 LYS 31 OK 20 73 - 28 - 3.0/2430=3, 3.7/2428=2...(5) HD2 LYS 119 - HG2 LYS 31 OK 20 71 - 28 - 3.0/2430=3, 3.7/2428=2...(5) HD3 LYS 32 - HG2 LYS 31 OK 13 97 - 14 - 5.9/5520=3 HD2 LYS 32 - HG2 LYS 31 OK 13 97 - 14 - 5.9/5520=3 HB3 LYS 32 - HG2 LYS 31 OK 13 87 - 15 - 4.0/122=4, 2422/2.9=1 HG LEU 101 - HG2 LYS 31 OK 12 100 - 12 - 2.1/8445=2 HG2 ARG 53 - HG2 LYS 31 lone 9 97 - 9 - 3.0/2427=1 HG2 PRO 30 - HG2 LYS 31 lone 9 99 - 9 - 5515/4.7=1 HB3 GLN 42 - HG2 LYS 31 lone 3 92 - 3 - HB3 LEU 126 - HG2 LYS 31 lone 3 87 - 3 - HB2 LEU 126 - HG2 LYS 31 lone 2 85 - 3 - HG12 ILE 63 - HG2 LYS 31 lone 2 85 - 2 - HG LEU 51 - HG2 LYS 31 lone 2 95 - 2 - HG3 ARG 85 - HG2 LYS 31 lone 1 73 - 2 - HG LEU 126 - HG2 LYS 31 lone 1 68 - 2 - HB ILE 34 - HG2 LYS 31 lone 1 68 - 1 - Peak 2432 from cnoeabs.peaks (1.62, 1.37, 24.75 ppm; 3.02 A): 2 out of 19 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HB2 LEU 59 - HG2 LYS 31 OK 28 100 - 28 - 3399=3, 3.0/3413=2...(16) HD3 LYS 119 - HG2 LYS 31 OK 20 73 - 28 - 3.0/2430=3, 3.7/2428=2...(5) HD2 LYS 119 - HG2 LYS 31 OK 20 71 - 28 - 3.0/2430=3, 3.7/2428=2...(5) HD3 LYS 32 - HG2 LYS 31 OK 13 97 - 14 - 5.9/5520=3 HD2 LYS 32 - HG2 LYS 31 OK 13 97 - 14 - 5.9/5520=3 HB3 LYS 32 - HG2 LYS 31 OK 13 87 - 15 - 4.0/122=4, 2422/2.9=1 HG LEU 101 - HG2 LYS 31 OK 12 100 - 12 - 2.1/8445=2 HG2 ARG 53 - HG2 LYS 31 lone 9 97 - 9 - 3.0/2427=1 HG2 PRO 30 - HG2 LYS 31 lone 9 99 - 9 - 5515/4.7=1 HB3 GLN 42 - HG2 LYS 31 lone 3 92 - 3 - HB3 LEU 126 - HG2 LYS 31 lone 3 87 - 3 - HB2 LEU 126 - HG2 LYS 31 lone 2 85 - 3 - HG12 ILE 63 - HG2 LYS 31 lone 2 85 - 2 - HG LEU 51 - HG2 LYS 31 lone 2 95 - 2 - HG3 ARG 85 - HG2 LYS 31 lone 1 73 - 2 - HG LEU 126 - HG2 LYS 31 lone 1 68 - 2 - HB ILE 34 - HG2 LYS 31 lone 1 68 - 1 - Peak 2433 from cnoeabs.peaks (2.97, 1.37, 24.75 ppm; 3.92 A): 2 out of 6 assignments used, quality = 1.00: HE3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.8=100 * HE2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.8=100 HA VAL 110 - HG2 LYS 31 OK 21 96 - 22 - 2424/2.9=2, 4972=2...(12) HB2 ASN 12 - HG2 LYS 31 lone 9 95 - 10 - 4.6/2425=1, 2424/2.9=1 HB3 TYR 102 - HG2 LYS 31 lone 5 65 - 7 - 4.0/2425=1 HG3 GLU 82 - HG2 LYS 31 lone 1 76 - 1 - Peak 2434 from cnoeabs.peaks (2.97, 1.37, 24.75 ppm; 3.92 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.8=100 HE2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.8=100 HA VAL 110 - HG2 LYS 31 OK 21 96 - 22 - 2424/2.9=2, 4972=2...(12) HB2 ASN 12 - HG2 LYS 31 lone 9 95 - 10 - 4.6/2425=1, 2424/2.9=1 HB3 TYR 102 - HG2 LYS 31 lone 5 65 - 7 - 4.0/2425=1 HG3 GLU 82 - HG2 LYS 31 lone 1 76 - 1 - Peak 2435 from cnoeabs.peaks (8.49, 1.46, 24.75 ppm; 4.63 A): 1 out of 27 assignments used, quality = 1.00: * H LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 4.7=99, 895/1.8=21...(16) H LYS 31 - HG2 LYS 119 OK 39 92 - 43 - 896=6, 2.9/2400=6...(16) H LEU 77 - HG3 LYS 31 OK 31 95 - 33 - 1141/2.9=7, 2415/2.9=5...(11) H SER 13 - HG3 LYS 31 OK 22 100 - 22 - 2425/1.8=3, 17/3.8=3...(8) H GLU 28 - HG3 LYS 31 OK 22 100 - 22 - 2425/1.8=4, 2415/2.9=4...(8) H TYR 102 - HG2 LYS 109 OK 21 55 - 38 - ~4921=7, 1280/3.5=6...(12) H TYR 102 - HG3 LYS 31 OK 19 87 - 22 - 2425/1.8=3, 2415/2.9=2...(9) H LEU 84 - HG3 LYS 31 OK 17 100 - 17 - 2425/1.8=3, 2415/2.9=3...(6) H LYS 31 - HG2 LYS 109 OK 16 71 - 23 - 896=3, 113/2.9=2...(11) H LEU 84 - HG2 LYS 119 OK 15 92 - 16 - 1186/1.8=4, ~4235=2...(7) H LEU 77 - HG2 LYS 119 OK 14 83 - 16 - 1139/4.0=2, 7356/2.9=2...(6) H TYR 102 - HG2 LYS 119 OK 13 75 - 18 - ~7748=3, ~7737=3...(5) H PHE 40 - HG3 LYS 31 OK 12 99 - 12 - 2425/1.8=2, 2395/4.0=2...(4) H GLU 38 - HG3 LYS 31 poor 10 73 - 13 - 6704=1, 3.0/6707=1...(4) H SER 13 - HG2 LYS 119 lone 9 91 - 9 - 4.7/5917=1, 18/3.9=1...(5) H GLU 38 - HG2 LYS 119 poor 7 62 - 11 - 3.0/6707=1, 6704=1 H GLU 28 - HG2 LYS 119 lone 7 91 - 7 - 884/2.9=1 H PHE 40 - HG2 LYS 119 lone 5 88 - 6 - H GLU 38 - HG2 LYS 109 poor 5 45 - 10 - 151/3.7=2, 928/2.9=1...(4) H LEU 84 - HG2 LYS 109 lone 5 71 - 6 - ~7846=1, 4.7/1194=1 H GLY 2 - HG3 LYS 31 lone 4 98 - 4 - H GLU 28 - HG2 LYS 109 lone 3 71 - 4 - H LEU 77 - HG2 LYS 109 lone 3 62 - 4 - H SER 13 - HG2 LYS 109 lone 2 70 - 3 - H PHE 40 - HG2 LYS 109 lone 2 68 - 3 - H GLY 2 - HG2 LYS 119 lone 1 88 - 1 - H GLY 2 - HG2 LYS 109 lone 1 67 - 1 - Peak 2436 from cnoeabs.peaks (4.08, 1.46, 24.75 ppm; 3.63 A): 3 out of 18 assignments used, quality = 0.97: * HA LYS 31 + HG3 LYS 31 OK 90 100 - 90 - 4.0=77, 2399/1.8=20...(15) HA VAL 120 + HG2 LYS 119 OK 45 92 - 49 - 3.2/8178=5, ~5915=5...(19) HA VAL 120 + HG3 LYS 31 OK 37 100 - 37 - 2426/1.8=8, 2416/2.9=6...(16) HA LYS 31 - HG2 LYS 119 OK 35 92 - 39 - 2400=7, 3.0/2420=4...(16) HA LEU 55 - HG3 LYS 31 OK 26 68 - 38 - 2426/1.8=5, 2416/2.9=5...(18) HA LEU 24 - HG3 LYS 31 OK 19 93 - 20 - 2426/1.8=3, 2198=3...(9) HA LYS 31 - HG2 LYS 109 OK 12 71 - 17 - 2400=3, 3.0/2420=2...(7) HA LEU 24 - HG2 LYS 119 OK 11 81 - 13 - 2198=2, 8478/1.8=2...(5) HA VAL 120 - HG2 LYS 109 poor 10 71 - 14 - ~8056=5, 3.2/8178=2, 3.2/8179=1 HA LEU 55 - HG2 LYS 119 poor 7 57 - 12 - 6077/4.9=2, 3223/2.9=1 HA SER 44 - HG3 LYS 31 lone 6 92 - 6 - 2426/1.8=1 HA SER 112 - HG3 LYS 31 lone 6 73 - 8 - 2426/1.8=1 HA LEU 55 - HG2 LYS 109 lone 4 41 - 10 - 7012=1, 3223/2.9=1 HA SER 44 - HG2 LYS 119 lone 4 80 - 5 - HA SER 44 - HG2 LYS 109 lone 4 60 - 6 - HA SER 112 - HG2 LYS 119 lone 3 62 - 5 - 5886/4.9=1 HA SER 112 - HG2 LYS 109 lone 3 45 - 6 - 1323/4.7=1, 4891/2.9=1 HA LEU 24 - HG2 LYS 109 lone 1 61 - 2 - Peak 2437 from cnoeabs.peaks (1.73, 1.46, 24.75 ppm; 3.40 A): 1 out of 30 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 2.9=100 HB3 LEU 55 - HG3 LYS 31 OK 43 99 - 44 - 2427/1.8=6, 2417/2.9=5...(26) HB2 LYS 31 - HG2 LYS 119 OK 41 92 - 45 - 1.8/2420=5, 2410=5...(21) HB3 ARG 71 - HG3 LYS 31 OK 26 100 - 26 - 2409/1.8=4, 2417/2.9=3...(11) HB3 LYS 46 - HG2 LYS 119 OK 23 55 - 42 - 2.9/5225=4, 2.9/5225=4...(20) HG2 ARG 71 - HG3 LYS 31 OK 20 85 - 23 - 2427/1.8=3, 2417/2.9=2...(8) HB3 LEU 77 - HG3 LYS 31 OK 19 93 - 21 - 2427/1.8=3, 2417/2.9=2...(10) HB2 LEU 91 - HG3 LYS 31 OK 17 97 - 18 - 2427/1.8=2, 2417/2.9=2...(5) HB2 LYS 31 - HG2 LYS 109 OK 14 71 - 19 - 1.8/2420=2, 2410=2...(6) HB3 LYS 46 - HG2 LYS 109 OK 14 39 - 35 - 3.5/2985=2, ~2936=2...(15) HB2 ARG 53 - HG3 LYS 31 OK 12 89 - 14 - 2427/1.8=2, 2417/2.9=1...(4) HB3 LEU 55 - HG2 LYS 119 OK 10 89 - 12 - 5629/4.9=1 HB2 LEU 91 - HG2 LYS 119 lone 7 87 - 8 - HB3 LEU 55 - HG2 LYS 109 lone 7 68 - 10 - 3.0/7012=1, ~4921=1 HB3 LYS 46 - HG3 LYS 31 lone 6 65 - 10 - HB3 LEU 77 - HG2 LYS 119 lone 6 81 - 8 - HB2 LEU 45 - HG3 LYS 31 lone 6 60 - 9 - HB2 LEU 45 - HG2 LYS 119 lone 4 50 - 9 - 4.3/977=1 HB3 ARG 71 - HG2 LYS 119 lone 3 91 - 3 - HB2 LEU 91 - HG2 LYS 109 lone 3 66 - 4 - HB2 ARG 53 - HG2 LYS 119 lone 2 76 - 3 - HB3 ARG 71 - HG2 LYS 109 lone 2 70 - 3 - HG2 ARG 71 - HG2 LYS 109 lone 2 53 - 3 - HB VAL 66 - HG3 LYS 31 lone 2 76 - 2 - HG2 ARG 71 - HG2 LYS 119 lone 2 73 - 2 - HB3 LEU 77 - HG2 LYS 109 lone 1 61 - 2 - HB2 LEU 45 - HG2 LYS 109 lone 1 35 - 3 - HB2 ARG 53 - HG2 LYS 109 lone 1 57 - 2 - HB VAL 66 - HG2 LYS 119 lone 1 64 - 1 - HB VAL 66 - HG2 LYS 109 lone 1 46 - 2 - Peak 2438 from cnoeabs.peaks (1.88, 1.46, 24.75 ppm; 3.26 A): 3 out of 45 assignments used, quality = 1.00: * HB3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 2.9=100 HB2 LYS 119 + HG2 LYS 119 OK 92 92 - 100 - 2.9=100 HB3 LYS 109 + HG2 LYS 109 OK 53 53 - 100 - 2.9=100 HB2 LYS 119 - HG3 LYS 31 OK 43 100 - 43 - 5204=6, 2428/1.8=5...(20) HB3 LYS 31 - HG2 LYS 119 OK 40 92 - 44 - 2420=6, 2.9/2430=4...(18) HG LEU 55 - HG3 LYS 31 OK 32 100 - 32 - 2428/1.8=4, 2408/2.9=3...(16) HB2 LEU 58 - HG3 LYS 31 OK 29 95 - 31 - 2428/1.8=3, ~8306=2...(13) HB2 LEU 58 - HG2 LYS 109 OK 29 62 - 47 - 4923/1.8=5, 4893/2.9=4...(27) HB2 LEU 58 - HG2 LYS 119 OK 26 83 - 32 - 5212/2.9=2, 5192/4.0=2...(13) HB2 LYS 119 - HG2 LYS 109 OK 20 71 - 29 - 5204=3, 5203/2.9=3...(8) HB3 LYS 109 - HG2 LYS 119 OK 20 73 - 27 - 4902/2.9=2, 1.8/4894=2...(9) HG LEU 84 - HG2 LYS 119 OK 18 91 - 20 - 4256/1.8=3, ~4263=2...(7) HB2 LEU 84 - HG2 LYS 119 OK 16 75 - 21 - 4242/1.8=2, 1.8/5225=2...(7) HB3 LYS 109 - HG3 LYS 31 OK 16 85 - 18 - 2428/1.8=2, 4904=2...(5) HB3 LYS 31 - HG2 LYS 109 OK 14 71 - 20 - 2420=2, 4923/1.8=2...(6) HG LEU 55 - HG2 LYS 119 OK 11 92 - 12 - 5192/4.0=1, 1383/4.9=1 HG LEU 84 - HG3 LYS 31 lone 10 100 - 9 - 4253/4.7=1, 2428/1.8=1 HB3 GLU 28 - HG3 LYS 31 lone 9 92 - 10 - 2428/1.8=1 HB VAL 50 - HG2 LYS 119 lone 9 92 - 10 - ~8032=2, ~8283=1 HB2 GLU 28 - HG3 LYS 31 lone 8 85 - 9 - 2428/1.8=1 HB ILE 22 - HG2 LYS 119 poor 8 62 - 12 - ~6436=2, 5982/4.0=1 HB2 LEU 84 - HG3 LYS 31 lone 8 87 - 9 - HB2 ARG 81 - HG2 LYS 119 poor 8 64 - 12 - ~6136=2 HB VAL 50 - HG3 LYS 31 lone 5 100 - 5 - HG LEU 55 - HG2 LYS 109 lone 5 71 - 7 - HB2 ARG 92 - HG3 LYS 31 lone 5 98 - 5 - HG3 PRO 68 - HG2 LYS 109 lone 4 60 - 6 - HG3 PRO 68 - HG3 LYS 31 lone 3 92 - 4 - HB ILE 22 - HG3 LYS 31 lone 3 73 - 4 - HB3 GLU 28 - HG2 LYS 119 lone 3 80 - 4 - HB2 GLU 28 - HG2 LYS 119 lone 3 73 - 4 - HB2 ARG 92 - HG2 LYS 109 lone 3 67 - 4 - HB2 ARG 92 - HG2 LYS 119 lone 3 88 - 3 - HG3 PRO 68 - HG2 LYS 119 lone 2 80 - 3 - HG LEU 84 - HG2 LYS 109 lone 2 70 - 3 - HB2 ARG 81 - HG3 LYS 31 lone 2 76 - 3 - HB2 LEU 84 - HG2 LYS 109 lone 2 55 - 3 - HB VAL 50 - HG2 LYS 109 lone 2 71 - 2 - HB3 GLU 28 - HG2 LYS 109 lone 2 60 - 3 - HB ILE 22 - HG2 LYS 109 lone 1 45 - 3 - HB2 GLU 28 - HG2 LYS 109 lone 1 53 - 2 - HB3 GLU 73 - HG3 LYS 31 lone 1 68 - 1 - HB3 GLU 73 - HG2 LYS 119 lone 1 57 - 1 - HB3 GLU 73 - HG2 LYS 109 lone 1 41 - 1 - HB2 ARG 81 - HG2 LYS 109 lone 0 46 - 1 - Peak 2439 from cnoeabs.peaks (1.37, 1.46, 24.75 ppm; 2.40 A): 1 out of 21 assignments used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 1.8=100 HG2 LYS 31 - HG2 LYS 119 OK 23 92 - 25 - 2430=6, 2428/2.9=2...(8) HB3 LEU 93 - HG3 LYS 31 OK 20 96 - 21 - 4486=3, 2419/2.9=2...(7) HB3 LEU 59 - HG3 LYS 31 OK 12 76 - 16 - 2419/2.9=2, 2409/2.9=1, ~3399=1 QG2 THR 121 - HG3 LYS 31 lone 8 99 - 8 - 8090/2.9=1 HG2 LYS 31 - HG2 LYS 109 poor 7 71 - 10 - 2430=2 HB VAL 110 - HG3 LYS 31 lone 7 76 - 9 - HB3 LEU 59 - HG2 LYS 119 lone 6 64 - 9 - HB VAL 110 - HG2 LYS 109 poor 5 46 - 10 - ~8449=4, ~8450=4, 4.0/554=1 HB3 LEU 93 - HG2 LYS 119 lone 5 84 - 5 - HB2 LEU 111 - HG3 LYS 31 lone 4 85 - 5 - QG2 THR 121 - HG2 LYS 109 lone 3 69 - 5 - 8088/1.8=1 QG2 THR 121 - HG2 LYS 119 lone 3 90 - 3 - HB2 LEU 27 - HG3 LYS 31 lone 2 68 - 4 - HB2 LEU 111 - HG2 LYS 119 lone 2 73 - 3 - HB3 LEU 93 - HG2 LYS 109 lone 1 64 - 2 - HB2 LEU 27 - HG2 LYS 119 lone 1 57 - 2 - HB VAL 110 - HG2 LYS 119 lone 1 64 - 1 - HB2 LEU 111 - HG2 LYS 109 lone 1 53 - 1 - HB3 LEU 59 - HG2 LYS 109 lone 1 46 - 1 - HB2 LEU 27 - HG2 LYS 109 lone 0 41 - 1 - Peak 2440 from cnoeabs.peaks (1.46, 1.46, 24.75 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 HG2 LYS 119 + HG2 LYS 119 OK 91 91 - 100 HG2 LYS 109 + HG2 LYS 109 OK 57 57 - 100 Peak 2441 from cnoeabs.peaks (1.62, 1.46, 24.75 ppm; 2.86 A): 4 out of 57 assignments used, quality = 1.00: * HD2 LYS 31 + HG3 LYS 31 OK 94 100 - 94 - 3.0=91, 1.8/2460=7...(18) HD3 LYS 31 + HG3 LYS 31 OK 94 100 - 94 - 3.0=91, 1.8/2460=7...(18) HD3 LYS 119 + HG2 LYS 119 OK 58 62 - 94 - 3.0=89, 1.8/5244=6...(20) HD2 LYS 119 + HG2 LYS 119 OK 56 59 - 94 - 3.0=89, 1.8/5244=6...(20) HD2 LYS 31 - HG2 LYS 119 OK 29 92 - 32 - 2460=3, 3.0/2430=3...(10) HD3 LYS 31 - HG2 LYS 119 OK 29 92 - 32 - 2450=3, 3.0/2430=3...(10) HB2 LEU 59 - HG3 LYS 31 OK 22 100 - 22 - 3399/1.8=3, 1.8/2439=2...(8) HD3 LYS 119 - HG3 LYS 31 OK 20 73 - 27 - 3.7/5204=2, 3.0/5225=2...(11) HD2 LYS 119 - HG3 LYS 31 OK 19 71 - 27 - 3.7/5204=2, 3.0/5225=2...(11) HG3 ARG 85 - HG2 LYS 109 OK 16 45 - 37 - ~4924=3, 4312/3.5=2...(18) HG2 PRO 30 - HG2 LYS 119 OK 15 88 - 18 - 2383/2.9=1, 2.3/5223=1...(4) HB2 LEU 59 - HG2 LYS 119 OK 15 91 - 16 - 3399/1.8=2, ~7080=1...(5) HD2 LYS 32 - HG2 LYS 119 OK 13 85 - 15 - HD3 LYS 32 - HG2 LYS 119 OK 13 85 - 15 - HD3 LYS 32 - HG3 LYS 31 OK 12 97 - 12 - 5.9/123=1, 2432/1.8=1 HD2 LYS 32 - HG3 LYS 31 OK 12 97 - 12 - 5.9/123=1, 2432/1.8=1 HB3 LYS 32 - HG3 LYS 31 OK 11 87 - 13 - 4.0/123=2, 2432/1.8=1 HG LEU 101 - HG3 LYS 31 OK 11 100 - 11 - ~8445=1, 2432/1.8=1 HG LEU 101 - HG2 LYS 119 lone 9 91 - 9 - ~8031=1 HG2 PRO 30 - HG2 LYS 109 poor 8 68 - 12 - HD2 LYS 31 - HG2 LYS 109 poor 8 71 - 12 - 3.0/2430=1, 2450=1 HD3 LYS 31 - HG2 LYS 109 poor 8 71 - 12 - 3.0/2430=1, 2450=1 HB3 LYS 32 - HG2 LYS 119 poor 8 75 - 11 - HG2 ARG 53 - HG3 LYS 31 lone 8 97 - 8 - HG2 PRO 30 - HG3 LYS 31 lone 7 99 - 7 - HD3 LYS 119 - HG2 LYS 109 poor 5 45 - 12 - 3.7/5204=1 HD2 LYS 119 - HG2 LYS 109 poor 5 43 - 12 - 3.7/5204=1 HB3 GLN 42 - HG2 LYS 109 lone 5 60 - 8 - 5569/4.7=1, 4.4/6794=1 HD3 LYS 32 - HG2 LYS 109 lone 4 65 - 6 - HD2 LYS 32 - HG2 LYS 109 lone 4 65 - 6 - HB3 GLN 42 - HG3 LYS 31 lone 3 92 - 3 - HB3 LYS 32 - HG2 LYS 109 lone 2 55 - 4 - HG12 ILE 63 - HG3 LYS 31 lone 2 85 - 2 - HB3 LEU 126 - HG3 LYS 31 lone 2 87 - 2 - HB2 LEU 126 - HG3 LYS 31 lone 2 85 - 2 - HB3 LEU 126 - HG2 LYS 119 lone 2 75 - 2 - HG12 ILE 63 - HG2 LYS 119 lone 2 73 - 3 - HB2 LEU 126 - HG2 LYS 119 lone 2 73 - 2 - HG2 ARG 53 - HG2 LYS 119 lone 2 85 - 2 - HB3 GLN 42 - HG2 LYS 119 lone 2 80 - 2 - HG LEU 101 - HG2 LYS 109 lone 2 71 - 2 - HG LEU 51 - HG3 LYS 31 lone 1 95 - 2 - HB2 LEU 59 - HG2 LYS 109 lone 1 70 - 2 - HG3 ARG 85 - HG3 LYS 31 lone 1 73 - 2 - HG3 ARG 85 - HG2 LYS 119 lone 1 62 - 2 - HG LEU 126 - HG3 LYS 31 lone 1 68 - 2 - HG LEU 126 - HG2 LYS 119 lone 1 57 - 2 - HG LEU 51 - HG2 LYS 119 lone 1 83 - 1 - HG2 ARG 53 - HG2 LYS 109 lone 1 65 - 1 - HB ILE 34 - HG3 LYS 31 lone 1 68 - 1 - HB ILE 34 - HG2 LYS 119 lone 1 57 - 1 - HB ILE 34 - HG2 LYS 109 lone 1 41 - 1 - HG LEU 51 - HG2 LYS 109 lone 0 62 - 1 - HG12 ILE 63 - HG2 LYS 109 lone 0 53 - 0 - HB3 LEU 126 - HG2 LYS 109 lone 0 55 - 0 - HB2 LEU 126 - HG2 LYS 109 lone 0 53 - 0 - HG LEU 126 - HG2 LYS 109 lone 0 41 - 0 - Peak 2442 from cnoeabs.peaks (1.62, 1.46, 24.75 ppm; 2.86 A): 4 out of 57 assignments used, quality = 1.00: HD2 LYS 31 + HG3 LYS 31 OK 94 100 - 94 - 3.0=91, 1.8/2460=7...(18) * HD3 LYS 31 + HG3 LYS 31 OK 94 100 - 94 - 3.0=91, 1.8/2460=7...(18) HD3 LYS 119 + HG2 LYS 119 OK 58 62 - 94 - 3.0=89, 1.8/5244=6...(20) HD2 LYS 119 + HG2 LYS 119 OK 56 59 - 94 - 3.0=89, 1.8/5244=6...(20) HD2 LYS 31 - HG2 LYS 119 OK 29 92 - 32 - 2460=3, 3.0/2430=3...(10) HD3 LYS 31 - HG2 LYS 119 OK 29 92 - 32 - 2450=3, 3.0/2430=3...(10) HB2 LEU 59 - HG3 LYS 31 OK 22 100 - 22 - 3399/1.8=3, 1.8/2439=2...(8) HD3 LYS 119 - HG3 LYS 31 OK 20 73 - 27 - 3.7/5204=2, 3.0/5225=2...(11) HD2 LYS 119 - HG3 LYS 31 OK 19 71 - 27 - 3.7/5204=2, 3.0/5225=2...(11) HG3 ARG 85 - HG2 LYS 109 OK 16 45 - 37 - ~4924=3, 4312/3.5=2...(18) HG2 PRO 30 - HG2 LYS 119 OK 15 88 - 18 - 2383/2.9=1, 2.3/5223=1...(4) HB2 LEU 59 - HG2 LYS 119 OK 15 91 - 16 - 3399/1.8=2, ~7080=1...(5) HD2 LYS 32 - HG2 LYS 119 OK 13 85 - 15 - HD3 LYS 32 - HG2 LYS 119 OK 13 85 - 15 - HD3 LYS 32 - HG3 LYS 31 OK 12 97 - 12 - 5.9/123=1, 2432/1.8=1 HD2 LYS 32 - HG3 LYS 31 OK 12 97 - 12 - 5.9/123=1, 2432/1.8=1 HB3 LYS 32 - HG3 LYS 31 OK 11 87 - 13 - 4.0/123=2, 2432/1.8=1 HG LEU 101 - HG3 LYS 31 OK 11 100 - 11 - ~8445=1, 2432/1.8=1 HG LEU 101 - HG2 LYS 119 lone 9 91 - 9 - ~8031=1 HG2 PRO 30 - HG2 LYS 109 poor 8 68 - 12 - HD2 LYS 31 - HG2 LYS 109 poor 8 71 - 12 - 3.0/2430=1, 2450=1 HD3 LYS 31 - HG2 LYS 109 poor 8 71 - 12 - 3.0/2430=1, 2450=1 HB3 LYS 32 - HG2 LYS 119 poor 8 75 - 11 - HG2 ARG 53 - HG3 LYS 31 lone 8 97 - 8 - HG2 PRO 30 - HG3 LYS 31 lone 7 99 - 7 - HD3 LYS 119 - HG2 LYS 109 poor 5 45 - 12 - 3.7/5204=1 HD2 LYS 119 - HG2 LYS 109 poor 5 43 - 12 - 3.7/5204=1 HB3 GLN 42 - HG2 LYS 109 lone 5 60 - 8 - 5569/4.7=1, 4.4/6794=1 HD3 LYS 32 - HG2 LYS 109 lone 4 65 - 6 - HD2 LYS 32 - HG2 LYS 109 lone 4 65 - 6 - HB3 GLN 42 - HG3 LYS 31 lone 3 92 - 3 - HB3 LYS 32 - HG2 LYS 109 lone 2 55 - 4 - HG12 ILE 63 - HG3 LYS 31 lone 2 85 - 2 - HB3 LEU 126 - HG3 LYS 31 lone 2 87 - 2 - HB2 LEU 126 - HG3 LYS 31 lone 2 85 - 2 - HB3 LEU 126 - HG2 LYS 119 lone 2 75 - 2 - HG12 ILE 63 - HG2 LYS 119 lone 2 73 - 3 - HB2 LEU 126 - HG2 LYS 119 lone 2 73 - 2 - HG2 ARG 53 - HG2 LYS 119 lone 2 85 - 2 - HB3 GLN 42 - HG2 LYS 119 lone 2 80 - 2 - HG LEU 101 - HG2 LYS 109 lone 2 71 - 2 - HG LEU 51 - HG3 LYS 31 lone 1 95 - 2 - HB2 LEU 59 - HG2 LYS 109 lone 1 70 - 2 - HG3 ARG 85 - HG3 LYS 31 lone 1 73 - 2 - HG3 ARG 85 - HG2 LYS 119 lone 1 62 - 2 - HG LEU 126 - HG3 LYS 31 lone 1 68 - 2 - HG LEU 126 - HG2 LYS 119 lone 1 57 - 2 - HG LEU 51 - HG2 LYS 119 lone 1 83 - 1 - HG2 ARG 53 - HG2 LYS 109 lone 1 65 - 1 - HB ILE 34 - HG3 LYS 31 lone 1 68 - 1 - HB ILE 34 - HG2 LYS 119 lone 1 57 - 1 - HB ILE 34 - HG2 LYS 109 lone 1 41 - 1 - HG LEU 51 - HG2 LYS 109 lone 0 62 - 1 - HG12 ILE 63 - HG2 LYS 109 lone 0 53 - 0 - HB3 LEU 126 - HG2 LYS 109 lone 0 55 - 0 - HB2 LEU 126 - HG2 LYS 109 lone 0 53 - 0 - HG LEU 126 - HG2 LYS 109 lone 0 41 - 0 - Peak 2443 from cnoeabs.peaks (2.97, 1.46, 24.75 ppm; 3.97 A): 2 out of 18 assignments used, quality = 1.00: HE3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.8=100 * HE2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.8=100 HA VAL 110 - HG2 LYS 109 OK 32 64 - 51 - ~8449=11, ~8450=11...(10) HE2 LYS 31 - HG2 LYS 119 OK 30 92 - 33 - 3.8/2430=4, 2470=3...(15) HE3 LYS 31 - HG2 LYS 119 OK 30 92 - 33 - 3.8/2430=4, 2470=3...(15) HA VAL 110 - HG3 LYS 31 OK 20 96 - 21 - 2434/1.8=3, 2424/2.9=2...(10) HB3 TYR 102 - HG2 LYS 109 OK 18 39 - 47 - ~4825=5, ~4921=5...(23) HB2 ASN 12 - HG2 LYS 119 OK 15 83 - 18 - 3.5/5220=2, 1878/4.9=1...(8) HB2 ASN 12 - HG3 LYS 31 lone 9 95 - 10 - 2433/1.8=2, 2424/2.9=1 HE3 LYS 31 - HG2 LYS 109 poor 8 71 - 11 - 3.8/2430=2, 4.6/2420=1 HE2 LYS 31 - HG2 LYS 109 poor 8 71 - 11 - 3.8/2430=2, 4.6/2420=1 HB3 TYR 102 - HG2 LYS 119 poor 6 55 - 11 - ~7748=2, ~7737=2, ~4820=1 HA VAL 110 - HG2 LYS 119 lone 6 84 - 7 - 6212/4.9=2 HB3 TYR 102 - HG3 LYS 31 lone 5 65 - 7 - HB2 ASN 12 - HG2 LYS 109 lone 3 62 - 4 - ~7833=1 HG3 GLU 82 - HG3 LYS 31 lone 1 76 - 2 - HG3 GLU 82 - HG2 LYS 119 lone 1 64 - 1 - HG3 GLU 82 - HG2 LYS 109 lone 1 46 - 1 - Peak 2444 from cnoeabs.peaks (2.97, 1.46, 24.75 ppm; 3.97 A): 2 out of 18 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.8=100 HE2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.8=100 HA VAL 110 - HG2 LYS 109 OK 32 64 - 51 - ~8449=11, ~8450=11...(10) HE2 LYS 31 - HG2 LYS 119 OK 30 92 - 33 - 3.8/2430=4, 2470=3...(15) HE3 LYS 31 - HG2 LYS 119 OK 30 92 - 33 - 3.8/2430=4, 2470=3...(15) HA VAL 110 - HG3 LYS 31 OK 20 96 - 21 - 2434/1.8=3, 2424/2.9=2...(10) HB3 TYR 102 - HG2 LYS 109 OK 18 39 - 47 - ~4825=5, ~4921=5...(23) HB2 ASN 12 - HG2 LYS 119 OK 15 83 - 18 - 3.5/5220=2, 1878/4.9=1...(8) HB2 ASN 12 - HG3 LYS 31 lone 9 95 - 10 - 2433/1.8=2, 2424/2.9=1 HE3 LYS 31 - HG2 LYS 109 poor 8 71 - 11 - 3.8/2430=2, 4.6/2420=1 HE2 LYS 31 - HG2 LYS 109 poor 8 71 - 11 - 3.8/2430=2, 4.6/2420=1 HB3 TYR 102 - HG2 LYS 119 poor 6 55 - 11 - ~7748=2, ~7737=2, ~4820=1 HA VAL 110 - HG2 LYS 119 lone 6 84 - 7 - 6212/4.9=2 HB3 TYR 102 - HG3 LYS 31 lone 5 65 - 7 - HB2 ASN 12 - HG2 LYS 109 lone 3 62 - 4 - ~7833=1 HG3 GLU 82 - HG3 LYS 31 lone 1 76 - 2 - HG3 GLU 82 - HG2 LYS 119 lone 1 64 - 1 - HG3 GLU 82 - HG2 LYS 109 lone 1 46 - 1 - Peak 2445 from cnoeabs.peaks (8.49, 1.62, 28.48 ppm; 5.05 A): 2 out of 18 assignments used, quality = 1.00: * H LYS 31 + HD2 LYS 31 OK 93 100 - 93 - 6.0=59, 895/3.0=20...(21) H LYS 31 + HD3 LYS 31 OK 93 100 - 93 - 6.0=59, 895/3.0=20...(21) H LEU 77 - HD2 LYS 31 OK 30 95 - 31 - 1141/3.4=7, 2415/3.4=5...(10) H LEU 77 - HD3 LYS 31 OK 30 95 - 31 - 1141/3.4=7, 2415/3.4=5...(10) H TYR 102 - HD2 LYS 31 OK 26 87 - 30 - 503=3, 2425/3.0=3...(15) H TYR 102 - HD3 LYS 31 OK 26 87 - 30 - 503=3, 2425/3.0=3...(15) H SER 13 - HD2 LYS 31 OK 22 100 - 22 - 17/3.0=4, 17/3.0=4...(7) H SER 13 - HD3 LYS 31 OK 22 100 - 22 - 17/3.0=4, 17/3.0=4...(7) H GLU 28 - HD3 LYS 31 OK 22 100 - 22 - 2415/3.4=4, 2425/3.0=4...(7) H GLU 28 - HD2 LYS 31 OK 22 100 - 22 - 2415/3.4=4, 2425/3.0=4...(7) H LEU 84 - HD2 LYS 31 OK 18 100 - 18 - 2415/3.4=3, 2425/3.0=3...(7) H LEU 84 - HD3 LYS 31 OK 18 100 - 18 - 2415/3.4=3, 2425/3.0=3...(7) H PHE 40 - HD2 LYS 31 OK 12 99 - 12 - 2425/3.0=2, 2415/3.4=2...(5) H PHE 40 - HD3 LYS 31 OK 12 99 - 12 - 2425/3.0=2, 2415/3.4=2...(5) H GLU 38 - HD2 LYS 31 lone 6 73 - 9 - 6704/3.0=1, 2395/5.2=1...(4) H GLU 38 - HD3 LYS 31 lone 6 73 - 9 - 6704/3.0=1, 2395/5.2=1...(4) H GLY 2 - HD2 LYS 31 lone 5 98 - 5 - H GLY 2 - HD3 LYS 31 lone 5 98 - 5 - Peak 2446 from cnoeabs.peaks (4.08, 1.62, 28.48 ppm; 4.01 A): 2 out of 12 assignments used, quality = 0.97: * HA LYS 31 + HD2 LYS 31 OK 83 100 - 83 - 5.2=47, 2399/3.0=18...(22) HA LYS 31 + HD3 LYS 31 OK 83 100 - 83 - 5.2=47, 2399/3.0=18...(22) HA VAL 120 - HD2 LYS 31 OK 35 100 - 35 - 2426/3.0=7, 2416/3.4=6...(15) HA VAL 120 - HD3 LYS 31 OK 35 100 - 35 - 2426/3.0=7, 2416/3.4=6...(15) HA LEU 55 - HD2 LYS 31 OK 27 68 - 40 - 2426/3.0=5, 2416/3.4=5...(20) HA LEU 55 - HD3 LYS 31 OK 27 68 - 40 - 2426/3.0=5, 2416/3.4=5...(20) HA LEU 24 - HD3 LYS 31 OK 14 93 - 15 - 2426/3.0=3, 2416/3.4=2...(5) HA LEU 24 - HD2 LYS 31 OK 14 93 - 15 - 2426/3.0=3, 2416/3.4=2...(5) HA SER 112 - HD3 LYS 31 lone 6 73 - 8 - ~1753=1, 2426/3.0=1 HA SER 112 - HD2 LYS 31 lone 6 73 - 8 - ~1753=1, 2426/3.0=1 HA SER 44 - HD2 LYS 31 lone 5 92 - 5 - 2426/3.0=1 HA SER 44 - HD3 LYS 31 lone 5 92 - 5 - 2426/3.0=1 Peak 2447 from cnoeabs.peaks (1.73, 1.62, 28.48 ppm; 4.35 A): 4 out of 20 assignments used, quality = 1.00: HB2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.4=100 * HB2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.4=100 HB3 LEU 55 + HD2 LYS 31 OK 60 99 - 61 - 2427/3.0=7, 2417/3.4=6...(36) HB3 LEU 55 + HD3 LYS 31 OK 60 99 - 61 - 2427/3.0=7, 2417/3.4=6...(36) HB3 ARG 71 - HD3 LYS 31 OK 33 100 - 33 - 2409/3.0=4, 2417/3.4=4...(13) HB3 ARG 71 - HD2 LYS 31 OK 33 100 - 33 - 2409/3.0=4, 2417/3.4=4...(13) HG2 ARG 71 - HD3 LYS 31 OK 28 85 - 33 - 2427/3.0=3, 2417/3.4=3...(18) HG2 ARG 71 - HD2 LYS 31 OK 28 85 - 33 - 2427/3.0=3, 2417/3.4=3...(18) HB2 ARG 53 - HD2 LYS 31 OK 27 89 - 31 - 3133=3, 3133/1.8=2...(13) HB2 ARG 53 - HD3 LYS 31 OK 27 89 - 31 - 3133=3, 3133/1.8=2...(13) HB3 LEU 77 - HD3 LYS 31 OK 26 93 - 28 - 2427/3.0=3, 2417/3.4=3...(16) HB3 LEU 77 - HD2 LYS 31 OK 26 93 - 28 - 2427/3.0=3, 2417/3.4=3...(16) HB2 LEU 91 - HD3 LYS 31 OK 22 97 - 22 - 2427/3.0=3, 2417/3.4=2...(7) HB2 LEU 91 - HD2 LYS 31 OK 22 97 - 22 - 2427/3.0=3, 2417/3.4=2...(7) HB3 LYS 46 - HD3 LYS 31 poor 9 65 - 13 - HB3 LYS 46 - HD2 LYS 31 poor 9 65 - 13 - HB2 LEU 45 - HD2 LYS 31 poor 8 60 - 12 - HB2 LEU 45 - HD3 LYS 31 poor 8 60 - 12 - HB VAL 66 - HD2 LYS 31 lone 3 76 - 3 - HB VAL 66 - HD3 LYS 31 lone 3 76 - 3 - Peak 2448 from cnoeabs.peaks (1.88, 1.62, 28.48 ppm; 4.00 A): 4 out of 30 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.4=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.4=100 HB2 LYS 119 + HD2 LYS 31 OK 56 100 - 56 - 2428/3.0=5, 5204/3.0=5...(37) HB2 LYS 119 + HD3 LYS 31 OK 56 100 - 56 - 2428/3.0=5, 5204/3.0=5...(37) HG LEU 55 - HD3 LYS 31 OK 41 100 - 42 - 3243/3.4=4, 2428/3.0=4...(22) HG LEU 55 - HD2 LYS 31 OK 41 100 - 42 - 3243/3.4=4, 2428/3.0=4...(22) HB2 LEU 58 - HD2 LYS 31 OK 36 95 - 38 - 2428/3.0=4, 3.1/6368=3...(21) HB2 LEU 58 - HD3 LYS 31 OK 36 95 - 38 - 2428/3.0=4, 3.1/6368=3...(21) HB3 LYS 109 - HD3 LYS 31 OK 19 85 - 22 - 2428/3.0=2, 4904/3.0=2...(5) HB3 LYS 109 - HD2 LYS 31 OK 19 85 - 22 - 2428/3.0=2, 4904/3.0=2...(5) HG LEU 84 - HD3 LYS 31 OK 12 100 - 12 - 4253/6.0=1, 2428/3.0=1 HG LEU 84 - HD2 LYS 31 OK 12 100 - 12 - 4253/6.0=1, 2428/3.0=1 HB3 GLU 28 - HD3 LYS 31 OK 11 92 - 12 - 2428/3.0=1, 2318/3.4=1 HB3 GLU 28 - HD2 LYS 31 OK 11 92 - 12 - 2428/3.0=1, 2318/3.4=1 HB2 GLU 28 - HD3 LYS 31 OK 10 85 - 12 - 2428/3.0=1, 2313/3.4=1 HB2 GLU 28 - HD2 LYS 31 OK 10 85 - 12 - 2428/3.0=1, 2313/3.4=1 HB2 LEU 84 - HD2 LYS 31 OK 10 87 - 12 - 2428/3.0=1 HB2 LEU 84 - HD3 LYS 31 OK 10 87 - 12 - 2428/3.0=1 HB VAL 50 - HD2 LYS 31 lone 8 100 - 8 - HB VAL 50 - HD3 LYS 31 lone 8 100 - 8 - HB2 ARG 92 - HD3 LYS 31 lone 5 98 - 5 - HB2 ARG 92 - HD2 LYS 31 lone 5 98 - 5 - HB ILE 22 - HD3 LYS 31 lone 4 73 - 6 - HB ILE 22 - HD2 LYS 31 lone 4 73 - 6 - HG3 PRO 68 - HD2 LYS 31 lone 4 92 - 5 - HG3 PRO 68 - HD3 LYS 31 lone 4 92 - 5 - HB2 ARG 81 - HD3 LYS 31 lone 3 76 - 3 - HB2 ARG 81 - HD2 LYS 31 lone 3 76 - 3 - HB3 GLU 73 - HD3 LYS 31 lone 1 68 - 2 - HB3 GLU 73 - HD2 LYS 31 lone 1 68 - 2 - Peak 2449 from cnoeabs.peaks (1.37, 1.62, 28.48 ppm; 3.39 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HB3 LEU 93 - HD3 LYS 31 OK 31 96 - 33 - 2419/3.4=4, 2439/3.0=3...(15) HB3 LEU 93 - HD2 LYS 31 OK 31 96 - 33 - 2419/3.4=4, 2439/3.0=3...(15) HB3 LEU 59 - HD3 LYS 31 OK 30 76 - 39 - 3405=4, 2419/3.4=3...(21) HB3 LEU 59 - HD2 LYS 31 OK 30 76 - 39 - 3405=4, 2419/3.4=3...(21) QG2 THR 121 - HD2 LYS 31 OK 15 99 - 15 - 8090/3.4=3, 2.1/8081=2...(6) QG2 THR 121 - HD3 LYS 31 OK 15 99 - 15 - 8090/3.4=3, 2.1/8081=2...(6) HB VAL 110 - HD3 LYS 31 OK 14 76 - 18 - 4976/3.0=2, 4976/3.0=2...(7) HB VAL 110 - HD2 LYS 31 OK 14 76 - 18 - 4976/3.0=2, 4976/3.0=2...(7) HB2 LEU 111 - HD3 LYS 31 lone 7 85 - 8 - HB2 LEU 111 - HD2 LYS 31 lone 7 85 - 8 - HB2 LEU 27 - HD3 LYS 31 lone 4 68 - 6 - HB2 LEU 27 - HD2 LYS 31 lone 4 68 - 6 - Peak 2450 from cnoeabs.peaks (1.46, 1.62, 28.48 ppm; 2.93 A): 2 out of 34 assignments used, quality = 1.00: * HG3 LYS 31 + HD2 LYS 31 OK 99 100 - 99 - 3.0=98, 2442/1.8=5...(16) HG3 LYS 31 + HD3 LYS 31 OK 99 100 - 99 - 3.0=98, 2442/1.8=5...(16) HG2 LYS 119 - HD3 LYS 31 OK 32 100 - 32 - 2430/3.0=3, 2420/3.4=2...(10) HG2 LYS 119 - HD2 LYS 31 OK 32 100 - 32 - 2430/3.0=3, 2420/3.4=2...(10) HB2 LEU 93 - HD3 LYS 31 OK 24 100 - 24 - 2430/3.0=3, 1.8/2459=2...(10) HB2 LEU 93 - HD2 LYS 31 OK 24 100 - 24 - 2430/3.0=3, 1.8/2459=2...(10) HB3 LEU 58 - HD2 LYS 31 OK 15 73 - 20 - 8306/3.0=2, 3.1/6368=1...(5) HB3 LEU 58 - HD3 LYS 31 OK 15 73 - 20 - 8306/3.0=2, 3.1/6368=1...(5) HB3 LEU 101 - HD3 LYS 31 OK 11 73 - 15 - 3.1/4676=1 HB3 LEU 101 - HD2 LYS 31 OK 11 73 - 15 - 3.1/4676=1 HG2 LYS 109 - HD3 LYS 31 OK 10 89 - 12 - 2430/3.0=1 HG2 LYS 109 - HD2 LYS 31 OK 10 89 - 12 - 2430/3.0=1 HG LEU 93 - HD3 LYS 31 OK 10 60 - 17 - 3.0/2449=2, 2430/3.0=1 HG LEU 93 - HD2 LYS 31 OK 10 60 - 17 - 3.0/2449=2, 2430/3.0=1 HD2 LYS 46 - HD3 LYS 31 lone 6 100 - 6 - HD2 LYS 46 - HD2 LYS 31 lone 6 100 - 6 - HB3 LEU 45 - HD3 LYS 31 lone 6 95 - 6 - HB3 LEU 45 - HD2 LYS 31 lone 6 95 - 6 - HG LEU 91 - HD2 LYS 31 lone 5 68 - 8 - HG LEU 91 - HD3 LYS 31 lone 5 68 - 8 - HG LEU 24 - HD3 LYS 31 lone 4 95 - 4 - HG LEU 24 - HD2 LYS 31 lone 4 95 - 4 - HB3 GLU 75 - HD2 LYS 31 lone 4 95 - 4 - HB3 GLU 75 - HD3 LYS 31 lone 4 95 - 4 - QB ALA 14 - HD2 LYS 31 lone 2 100 - 2 - QB ALA 14 - HD3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HD3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HD2 LYS 31 lone 2 100 - 2 - HD3 LYS 65 - HD2 LYS 31 lone 1 83 - 1 - HD2 LYS 65 - HD3 LYS 31 lone 1 83 - 1 - HD2 LYS 65 - HD2 LYS 31 lone 1 83 - 1 - HD3 LYS 65 - HD3 LYS 31 lone 1 83 - 1 - QB ALA 89 - HD3 LYS 31 lone 1 76 - 1 - QB ALA 89 - HD2 LYS 31 lone 1 76 - 1 - Peak 2451 from cnoeabs.peaks (1.62, 1.62, 28.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 * HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 Peak 2452 from cnoeabs.peaks (1.62, 1.62, 28.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 Reference assignment not found: HD3 LYS 31 - HD2 LYS 31 Peak 2453 from cnoeabs.peaks (2.97, 1.62, 28.48 ppm; 3.27 A): 4 out of 12 assignments used, quality = 1.00: HE2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 * HE2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HA VAL 110 - HD3 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HA VAL 110 - HD2 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HB2 ASN 12 - HD3 LYS 31 lone 7 95 - 7 - HB2 ASN 12 - HD2 LYS 31 lone 7 95 - 7 - HB3 TYR 102 - HD3 LYS 31 lone 3 65 - 5 - HB3 TYR 102 - HD2 LYS 31 lone 3 65 - 5 - HG3 GLU 82 - HD2 LYS 31 lone 1 76 - 1 - HG3 GLU 82 - HD3 LYS 31 lone 1 76 - 1 - Peak 2454 from cnoeabs.peaks (2.97, 1.62, 28.48 ppm; 3.27 A): 4 out of 12 assignments used, quality = 1.00: HE2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 * HE3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HA VAL 110 - HD3 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HA VAL 110 - HD2 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HB2 ASN 12 - HD3 LYS 31 lone 7 95 - 7 - HB2 ASN 12 - HD2 LYS 31 lone 7 95 - 7 - HB3 TYR 102 - HD3 LYS 31 lone 3 65 - 5 - HB3 TYR 102 - HD2 LYS 31 lone 3 65 - 5 - HG3 GLU 82 - HD2 LYS 31 lone 1 76 - 1 - HG3 GLU 82 - HD3 LYS 31 lone 1 76 - 1 - Peak 2455 from cnoeabs.peaks (8.49, 1.62, 28.48 ppm; 5.05 A): 2 out of 18 assignments used, quality = 1.00: H LYS 31 + HD2 LYS 31 OK 93 100 - 93 - 6.0=59, 895/3.0=20...(21) * H LYS 31 + HD3 LYS 31 OK 93 100 - 93 - 6.0=59, 895/3.0=20...(21) H LEU 77 - HD2 LYS 31 OK 30 95 - 31 - 1141/3.4=7, 2415/3.4=5...(10) H LEU 77 - HD3 LYS 31 OK 30 95 - 31 - 1141/3.4=7, 2415/3.4=5...(10) H TYR 102 - HD2 LYS 31 OK 26 87 - 30 - 503=3, 2425/3.0=3...(15) H TYR 102 - HD3 LYS 31 OK 26 87 - 30 - 503=3, 2425/3.0=3...(15) H SER 13 - HD2 LYS 31 OK 22 100 - 22 - 17/3.0=4, 17/3.0=4...(7) H SER 13 - HD3 LYS 31 OK 22 100 - 22 - 17/3.0=4, 17/3.0=4...(7) H GLU 28 - HD3 LYS 31 OK 22 100 - 22 - 2415/3.4=4, 2425/3.0=4...(7) H GLU 28 - HD2 LYS 31 OK 22 100 - 22 - 2415/3.4=4, 2425/3.0=4...(7) H LEU 84 - HD2 LYS 31 OK 18 100 - 18 - 2415/3.4=3, 2425/3.0=3...(7) H LEU 84 - HD3 LYS 31 OK 18 100 - 18 - 2415/3.4=3, 2425/3.0=3...(7) H PHE 40 - HD2 LYS 31 OK 12 99 - 12 - 2425/3.0=2, 2415/3.4=2...(5) H PHE 40 - HD3 LYS 31 OK 12 99 - 12 - 2425/3.0=2, 2415/3.4=2...(5) H GLU 38 - HD2 LYS 31 lone 6 73 - 9 - 6704/3.0=1, 2395/5.2=1...(4) H GLU 38 - HD3 LYS 31 lone 6 73 - 9 - 6704/3.0=1, 2395/5.2=1...(4) H GLY 2 - HD2 LYS 31 lone 5 98 - 5 - H GLY 2 - HD3 LYS 31 lone 5 98 - 5 - Peak 2456 from cnoeabs.peaks (4.08, 1.62, 28.48 ppm; 4.01 A): 2 out of 12 assignments used, quality = 0.97: HA LYS 31 + HD2 LYS 31 OK 83 100 - 83 - 5.2=47, 2399/3.0=18...(22) * HA LYS 31 + HD3 LYS 31 OK 83 100 - 83 - 5.2=47, 2399/3.0=18...(22) HA VAL 120 - HD2 LYS 31 OK 35 100 - 35 - 2426/3.0=7, 2416/3.4=6...(15) HA VAL 120 - HD3 LYS 31 OK 35 100 - 35 - 2426/3.0=7, 2416/3.4=6...(15) HA LEU 55 - HD2 LYS 31 OK 27 68 - 40 - 2426/3.0=5, 2416/3.4=5...(20) HA LEU 55 - HD3 LYS 31 OK 27 68 - 40 - 2426/3.0=5, 2416/3.4=5...(20) HA LEU 24 - HD3 LYS 31 OK 14 93 - 15 - 2426/3.0=3, 2416/3.4=2...(5) HA LEU 24 - HD2 LYS 31 OK 14 93 - 15 - 2426/3.0=3, 2416/3.4=2...(5) HA SER 112 - HD3 LYS 31 lone 6 73 - 8 - ~1753=1, 2426/3.0=1 HA SER 112 - HD2 LYS 31 lone 6 73 - 8 - ~1753=1, 2426/3.0=1 HA SER 44 - HD2 LYS 31 lone 5 92 - 5 - 2426/3.0=1 HA SER 44 - HD3 LYS 31 lone 5 92 - 5 - 2426/3.0=1 Peak 2457 from cnoeabs.peaks (1.73, 1.62, 28.48 ppm; 4.35 A): 4 out of 20 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.4=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.4=100 HB3 LEU 55 + HD2 LYS 31 OK 60 99 - 61 - 2427/3.0=7, 2417/3.4=6...(36) HB3 LEU 55 + HD3 LYS 31 OK 60 99 - 61 - 2427/3.0=7, 2417/3.4=6...(36) HB3 ARG 71 - HD3 LYS 31 OK 33 100 - 33 - 2409/3.0=4, 2417/3.4=4...(13) HB3 ARG 71 - HD2 LYS 31 OK 33 100 - 33 - 2409/3.0=4, 2417/3.4=4...(13) HG2 ARG 71 - HD3 LYS 31 OK 28 85 - 33 - 2427/3.0=3, 2417/3.4=3...(18) HG2 ARG 71 - HD2 LYS 31 OK 28 85 - 33 - 2427/3.0=3, 2417/3.4=3...(18) HB2 ARG 53 - HD2 LYS 31 OK 27 89 - 31 - 3133=3, 3133/1.8=2...(13) HB2 ARG 53 - HD3 LYS 31 OK 27 89 - 31 - 3133=3, 3133/1.8=2...(13) HB3 LEU 77 - HD3 LYS 31 OK 26 93 - 28 - 2427/3.0=3, 2417/3.4=3...(16) HB3 LEU 77 - HD2 LYS 31 OK 26 93 - 28 - 2427/3.0=3, 2417/3.4=3...(16) HB2 LEU 91 - HD3 LYS 31 OK 22 97 - 22 - 2427/3.0=3, 2417/3.4=2...(7) HB2 LEU 91 - HD2 LYS 31 OK 22 97 - 22 - 2427/3.0=3, 2417/3.4=2...(7) HB3 LYS 46 - HD3 LYS 31 poor 9 65 - 13 - HB3 LYS 46 - HD2 LYS 31 poor 9 65 - 13 - HB2 LEU 45 - HD2 LYS 31 poor 8 60 - 12 - HB2 LEU 45 - HD3 LYS 31 poor 8 60 - 12 - HB VAL 66 - HD2 LYS 31 lone 3 76 - 3 - HB VAL 66 - HD3 LYS 31 lone 3 76 - 3 - Peak 2458 from cnoeabs.peaks (1.88, 1.62, 28.48 ppm; 4.00 A): 4 out of 30 assignments used, quality = 1.00: HB3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.4=100 * HB3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.4=100 HB2 LYS 119 + HD2 LYS 31 OK 56 100 - 56 - 2428/3.0=5, 5204/3.0=5...(37) HB2 LYS 119 + HD3 LYS 31 OK 56 100 - 56 - 2428/3.0=5, 5204/3.0=5...(37) HG LEU 55 - HD3 LYS 31 OK 41 100 - 42 - 3243/3.4=4, 2428/3.0=4...(22) HG LEU 55 - HD2 LYS 31 OK 41 100 - 42 - 3243/3.4=4, 2428/3.0=4...(22) HB2 LEU 58 - HD2 LYS 31 OK 36 95 - 38 - 2428/3.0=4, 3.1/6368=3...(21) HB2 LEU 58 - HD3 LYS 31 OK 36 95 - 38 - 2428/3.0=4, 3.1/6368=3...(21) HB3 LYS 109 - HD3 LYS 31 OK 19 85 - 22 - 2428/3.0=2, 4904/3.0=2...(5) HB3 LYS 109 - HD2 LYS 31 OK 19 85 - 22 - 2428/3.0=2, 4904/3.0=2...(5) HG LEU 84 - HD3 LYS 31 OK 12 100 - 12 - 4253/6.0=1, 2428/3.0=1 HG LEU 84 - HD2 LYS 31 OK 12 100 - 12 - 4253/6.0=1, 2428/3.0=1 HB3 GLU 28 - HD3 LYS 31 OK 11 92 - 12 - 2428/3.0=1, 2318/3.4=1 HB3 GLU 28 - HD2 LYS 31 OK 11 92 - 12 - 2428/3.0=1, 2318/3.4=1 HB2 GLU 28 - HD3 LYS 31 OK 10 85 - 12 - 2428/3.0=1, 2313/3.4=1 HB2 GLU 28 - HD2 LYS 31 OK 10 85 - 12 - 2428/3.0=1, 2313/3.4=1 HB2 LEU 84 - HD2 LYS 31 OK 10 87 - 12 - 2428/3.0=1 HB2 LEU 84 - HD3 LYS 31 OK 10 87 - 12 - 2428/3.0=1 HB VAL 50 - HD2 LYS 31 lone 8 100 - 8 - HB VAL 50 - HD3 LYS 31 lone 8 100 - 8 - HB2 ARG 92 - HD3 LYS 31 lone 5 98 - 5 - HB2 ARG 92 - HD2 LYS 31 lone 5 98 - 5 - HB ILE 22 - HD3 LYS 31 lone 4 73 - 6 - HB ILE 22 - HD2 LYS 31 lone 4 73 - 6 - HG3 PRO 68 - HD2 LYS 31 lone 4 92 - 5 - HG3 PRO 68 - HD3 LYS 31 lone 4 92 - 5 - HB2 ARG 81 - HD3 LYS 31 lone 3 76 - 3 - HB2 ARG 81 - HD2 LYS 31 lone 3 76 - 3 - HB3 GLU 73 - HD3 LYS 31 lone 1 68 - 2 - HB3 GLU 73 - HD2 LYS 31 lone 1 68 - 2 - Peak 2459 from cnoeabs.peaks (1.37, 1.62, 28.48 ppm; 3.39 A): 2 out of 14 assignments used, quality = 1.00: HG2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 * HG2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HB3 LEU 93 - HD3 LYS 31 OK 31 96 - 33 - 2419/3.4=4, 2439/3.0=3...(15) HB3 LEU 93 - HD2 LYS 31 OK 31 96 - 33 - 2419/3.4=4, 2439/3.0=3...(15) HB3 LEU 59 - HD3 LYS 31 OK 30 76 - 39 - 3405=4, 2419/3.4=3...(21) HB3 LEU 59 - HD2 LYS 31 OK 30 76 - 39 - 3405=4, 2419/3.4=3...(21) QG2 THR 121 - HD2 LYS 31 OK 15 99 - 15 - 8090/3.4=3, 2.1/8081=2...(6) QG2 THR 121 - HD3 LYS 31 OK 15 99 - 15 - 8090/3.4=3, 2.1/8081=2...(6) HB VAL 110 - HD3 LYS 31 OK 14 76 - 18 - 4976/3.0=2, 4976/3.0=2...(7) HB VAL 110 - HD2 LYS 31 OK 14 76 - 18 - 4976/3.0=2, 4976/3.0=2...(7) HB2 LEU 111 - HD3 LYS 31 lone 7 85 - 8 - HB2 LEU 111 - HD2 LYS 31 lone 7 85 - 8 - HB2 LEU 27 - HD3 LYS 31 lone 4 68 - 6 - HB2 LEU 27 - HD2 LYS 31 lone 4 68 - 6 - Peak 2460 from cnoeabs.peaks (1.46, 1.62, 28.48 ppm; 2.93 A): 2 out of 34 assignments used, quality = 1.00: HG3 LYS 31 + HD2 LYS 31 OK 99 100 - 99 - 3.0=98, 2442/1.8=5...(16) * HG3 LYS 31 + HD3 LYS 31 OK 99 100 - 99 - 3.0=98, 2442/1.8=5...(16) HG2 LYS 119 - HD3 LYS 31 OK 32 100 - 32 - 2430/3.0=3, 2420/3.4=2...(10) HG2 LYS 119 - HD2 LYS 31 OK 32 100 - 32 - 2430/3.0=3, 2420/3.4=2...(10) HB2 LEU 93 - HD3 LYS 31 OK 24 100 - 24 - 2430/3.0=3, 1.8/2459=2...(10) HB2 LEU 93 - HD2 LYS 31 OK 24 100 - 24 - 2430/3.0=3, 1.8/2459=2...(10) HB3 LEU 58 - HD2 LYS 31 OK 15 73 - 20 - 8306/3.0=2, 3.1/6368=1...(5) HB3 LEU 58 - HD3 LYS 31 OK 15 73 - 20 - 8306/3.0=2, 3.1/6368=1...(5) HB3 LEU 101 - HD3 LYS 31 OK 11 73 - 15 - 3.1/4676=1 HB3 LEU 101 - HD2 LYS 31 OK 11 73 - 15 - 3.1/4676=1 HG2 LYS 109 - HD3 LYS 31 OK 10 89 - 12 - 2430/3.0=1 HG2 LYS 109 - HD2 LYS 31 OK 10 89 - 12 - 2430/3.0=1 HG LEU 93 - HD3 LYS 31 OK 10 60 - 17 - 3.0/2449=2, 2430/3.0=1 HG LEU 93 - HD2 LYS 31 OK 10 60 - 17 - 3.0/2449=2, 2430/3.0=1 HD2 LYS 46 - HD3 LYS 31 lone 6 100 - 6 - HD2 LYS 46 - HD2 LYS 31 lone 6 100 - 6 - HB3 LEU 45 - HD3 LYS 31 lone 6 95 - 6 - HB3 LEU 45 - HD2 LYS 31 lone 6 95 - 6 - HG LEU 91 - HD2 LYS 31 lone 5 68 - 8 - HG LEU 91 - HD3 LYS 31 lone 5 68 - 8 - HG LEU 24 - HD3 LYS 31 lone 4 95 - 4 - HG LEU 24 - HD2 LYS 31 lone 4 95 - 4 - HB3 GLU 75 - HD2 LYS 31 lone 4 95 - 4 - HB3 GLU 75 - HD3 LYS 31 lone 4 95 - 4 - QB ALA 14 - HD2 LYS 31 lone 2 100 - 2 - QB ALA 14 - HD3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HD3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HD2 LYS 31 lone 2 100 - 2 - HD3 LYS 65 - HD2 LYS 31 lone 1 83 - 1 - HD2 LYS 65 - HD3 LYS 31 lone 1 83 - 1 - HD2 LYS 65 - HD2 LYS 31 lone 1 83 - 1 - HD3 LYS 65 - HD3 LYS 31 lone 1 83 - 1 - QB ALA 89 - HD3 LYS 31 lone 1 76 - 1 - QB ALA 89 - HD2 LYS 31 lone 1 76 - 1 - Peak 2461 from cnoeabs.peaks (1.62, 1.62, 28.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 Reference assignment not found: HD2 LYS 31 - HD3 LYS 31 Peak 2462 from cnoeabs.peaks (1.62, 1.62, 28.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 Peak 2463 from cnoeabs.peaks (2.97, 1.62, 28.48 ppm; 3.27 A): 4 out of 12 assignments used, quality = 1.00: * HE2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HA VAL 110 - HD3 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HA VAL 110 - HD2 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HB2 ASN 12 - HD3 LYS 31 lone 7 95 - 7 - HB2 ASN 12 - HD2 LYS 31 lone 7 95 - 7 - HB3 TYR 102 - HD3 LYS 31 lone 3 65 - 5 - HB3 TYR 102 - HD2 LYS 31 lone 3 65 - 5 - HG3 GLU 82 - HD2 LYS 31 lone 1 76 - 1 - HG3 GLU 82 - HD3 LYS 31 lone 1 76 - 1 - Peak 2464 from cnoeabs.peaks (2.97, 1.62, 28.48 ppm; 3.27 A): 4 out of 12 assignments used, quality = 1.00: HE2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 * HE3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HA VAL 110 - HD3 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HA VAL 110 - HD2 LYS 31 OK 14 96 - 15 - 2433/3.0=2, 2424/3.4=1...(4) HB2 ASN 12 - HD3 LYS 31 lone 7 95 - 7 - HB2 ASN 12 - HD2 LYS 31 lone 7 95 - 7 - HB3 TYR 102 - HD3 LYS 31 lone 3 65 - 5 - HB3 TYR 102 - HD2 LYS 31 lone 3 65 - 5 - HG3 GLU 82 - HD2 LYS 31 lone 1 76 - 1 - HG3 GLU 82 - HD3 LYS 31 lone 1 76 - 1 - Peak 2466 from cnoeabs.peaks (4.08, 2.97, 42.01 ppm; 4.92 A): 2 out of 12 assignments used, quality = 0.98: * HA LYS 31 + HE2 LYS 31 OK 87 100 - 87 - 6.4=44, 2399/3.8=20...(19) HA LYS 31 + HE3 LYS 31 OK 87 100 - 87 - 6.4=44, 2399/3.8=20...(19) HA VAL 120 - HE2 LYS 31 OK 31 100 - 31 - 2426/3.8=8, 2416/4.6=6...(7) HA VAL 120 - HE3 LYS 31 OK 31 100 - 31 - 2426/3.8=8, 2416/4.6=6...(7) HA LEU 55 - HE2 LYS 31 OK 23 68 - 33 - 2426/3.8=6, 2416/4.6=5...(13) HA LEU 55 - HE3 LYS 31 OK 23 68 - 33 - 2426/3.8=6, 2416/4.6=5...(13) HA LEU 24 - HE3 LYS 31 OK 14 93 - 15 - 2426/3.8=3, 2416/4.6=2...(6) HA LEU 24 - HE2 LYS 31 OK 14 93 - 15 - 2426/3.8=3, 2416/4.6=2...(6) HA SER 112 - HE3 LYS 31 OK 10 73 - 14 - 3.0/1753=3, ~1753=2...(4) HA SER 112 - HE2 LYS 31 OK 10 73 - 14 - 3.0/1753=3, ~1753=2...(4) HA SER 44 - HE2 LYS 31 lone 6 92 - 7 - 2426/3.8=1 HA SER 44 - HE3 LYS 31 lone 6 92 - 7 - 2426/3.8=1 Peak 2467 from cnoeabs.peaks (1.73, 2.97, 42.01 ppm; 4.61 A): 2 out of 20 assignments used, quality = 1.00: HB2 LYS 31 + HE3 LYS 31 OK 100 100 - 100 - 4.6=98, 2.9/2479=12...(30) * HB2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 - 4.6=98, 2.9/2479=12...(30) HB3 LEU 55 - HE2 LYS 31 OK 34 99 - 34 - 2427/3.8=6, 2417/4.6=5...(16) HB3 LEU 55 - HE3 LYS 31 OK 34 99 - 34 - 2427/3.8=6, 2417/4.6=5...(16) HB3 ARG 71 - HE2 LYS 31 OK 23 100 - 23 - 2409/3.8=4, 2417/4.6=3...(9) HB3 ARG 71 - HE3 LYS 31 OK 23 100 - 23 - 2409/3.8=4, 2417/4.6=3...(9) HB3 LEU 77 - HE3 LYS 31 OK 17 93 - 18 - 3.1/7349=3, 2427/3.8=3...(10) HB3 LEU 77 - HE2 LYS 31 OK 17 93 - 18 - 3.1/7349=3, 2427/3.8=3...(10) HG2 ARG 71 - HE2 LYS 31 OK 16 85 - 19 - 2427/3.8=3, 3.0/2414=2...(9) HG2 ARG 71 - HE3 LYS 31 OK 16 85 - 19 - 2427/3.8=3, 3.0/2414=2...(9) HB2 ARG 53 - HE2 LYS 31 OK 13 89 - 14 - 3133/3.0=2, 3133/3.0=2...(6) HB2 ARG 53 - HE3 LYS 31 OK 13 89 - 14 - 3133/3.0=2, 3133/3.0=2...(6) HB2 LEU 91 - HE3 LYS 31 OK 12 97 - 12 - 2427/3.8=2, 2437/3.8=2...(5) HB2 LEU 91 - HE2 LYS 31 OK 12 97 - 12 - 2427/3.8=2, 2437/3.8=2...(5) HB3 LYS 46 - HE3 LYS 31 lone 4 65 - 7 - HB3 LYS 46 - HE2 LYS 31 lone 4 65 - 7 - HB2 LEU 45 - HE2 LYS 31 lone 4 60 - 7 - HB2 LEU 45 - HE3 LYS 31 lone 4 60 - 7 - HB VAL 66 - HE2 LYS 31 lone 2 76 - 2 - HB VAL 66 - HE3 LYS 31 lone 2 76 - 2 - Peak 2468 from cnoeabs.peaks (1.88, 2.97, 42.01 ppm; 4.10 A): 2 out of 30 assignments used, quality = 1.00: * HB3 LYS 31 + HE2 LYS 31 OK 93 100 - 93 - 4.6=69, 2.9/2469=11...(30) HB3 LYS 31 + HE3 LYS 31 OK 93 100 - 93 - 4.6=69, 2.9/2469=11...(30) HB2 LYS 119 - HE3 LYS 31 OK 33 100 - 34 - 2428/3.8=4, 5204/3.8=4...(13) HB2 LYS 119 - HE2 LYS 31 OK 33 100 - 34 - 2428/3.8=4, 5204/3.8=4...(13) HG LEU 55 - HE3 LYS 31 OK 22 100 - 23 - 2428/3.8=4, 3243/4.6=3...(12) HG LEU 55 - HE2 LYS 31 OK 22 100 - 23 - 2428/3.8=4, 3243/4.6=3...(12) HB2 LEU 58 - HE2 LYS 31 OK 16 95 - 17 - 2428/3.8=3, 2408/4.6=2...(8) HB2 LEU 58 - HE3 LYS 31 OK 16 95 - 17 - 2428/3.8=3, 2408/4.6=2...(8) HB3 LYS 109 - HE3 LYS 31 OK 11 85 - 13 - 4.6/1333=2, 2428/3.8=2 HB3 LYS 109 - HE2 LYS 31 OK 11 85 - 13 - 4.6/1333=2, 2428/3.8=2 HG LEU 84 - HE2 LYS 31 lone 8 100 - 8 - 2428/3.8=1 HG LEU 84 - HE3 LYS 31 lone 8 100 - 8 - 2428/3.8=1 HB3 GLU 28 - HE3 LYS 31 lone 7 92 - 7 - 2428/3.8=1 HB3 GLU 28 - HE2 LYS 31 lone 7 92 - 7 - 2428/3.8=1 HB2 GLU 28 - HE2 LYS 31 lone 6 85 - 8 - HB2 GLU 28 - HE3 LYS 31 lone 6 85 - 8 - HB2 LEU 84 - HE3 LYS 31 lone 6 87 - 6 - HB2 LEU 84 - HE2 LYS 31 lone 6 87 - 6 - HB VAL 50 - HE2 LYS 31 lone 4 100 - 4 - HB VAL 50 - HE3 LYS 31 lone 4 100 - 4 - HB2 ARG 92 - HE2 LYS 31 lone 3 98 - 3 - HB2 ARG 92 - HE3 LYS 31 lone 3 98 - 3 - HG3 PRO 68 - HE3 LYS 31 lone 2 92 - 3 - HG3 PRO 68 - HE2 LYS 31 lone 2 92 - 3 - HB ILE 22 - HE3 LYS 31 lone 2 73 - 3 - HB ILE 22 - HE2 LYS 31 lone 2 73 - 3 - HB2 ARG 81 - HE3 LYS 31 lone 2 76 - 2 - HB2 ARG 81 - HE2 LYS 31 lone 2 76 - 2 - HB3 GLU 73 - HE3 LYS 31 lone 1 68 - 1 - HB3 GLU 73 - HE2 LYS 31 lone 1 68 - 1 - Peak 2469 from cnoeabs.peaks (1.37, 2.97, 42.01 ppm; 3.46 A): 2 out of 14 assignments used, quality = 0.99: * HG2 LYS 31 + HE2 LYS 31 OK 91 100 - 91 - 3.8=78, 1.8/2480=9...(24) HG2 LYS 31 + HE3 LYS 31 OK 91 100 - 91 - 3.8=78, 1.8/2480=9...(24) HB3 LEU 93 - HE3 LYS 31 OK 18 96 - 19 - 2419/4.6=3, 2439/3.8=3...(9) HB3 LEU 93 - HE2 LYS 31 OK 18 96 - 19 - 2419/4.6=3, 2439/3.8=3...(9) HB VAL 110 - HE2 LYS 31 OK 16 76 - 21 - 2.1/4981=3, 2.1/4986=3...(9) HB VAL 110 - HE3 LYS 31 OK 16 76 - 21 - 2.1/4981=3, 2.1/4986=3...(9) HB3 LEU 59 - HE3 LYS 31 OK 12 76 - 16 - 2419/4.6=2, 3405/3.0=2...(5) HB3 LEU 59 - HE2 LYS 31 OK 12 76 - 16 - 2419/4.6=2, 3405/3.0=2...(5) QG2 THR 121 - HE2 LYS 31 lone 10 99 - 10 - 8090/4.6=2, ~8081=1...(6) QG2 THR 121 - HE3 LYS 31 lone 10 99 - 10 - 8090/4.6=2, ~8081=1...(6) HB2 LEU 111 - HE3 LYS 31 lone 6 85 - 6 - 3.8/561=1, 4.6/1753=1 HB2 LEU 111 - HE2 LYS 31 lone 6 85 - 6 - 3.8/561=1, 4.6/1753=1 HB2 LEU 27 - HE2 LYS 31 lone 3 68 - 4 - HB2 LEU 27 - HE3 LYS 31 lone 3 68 - 4 - Peak 2470 from cnoeabs.peaks (1.46, 2.97, 42.01 ppm; 3.40 A): 2 out of 34 assignments used, quality = 0.99: HG3 LYS 31 + HE3 LYS 31 OK 88 100 - 88 - 3.8=74, 1.8/2479=10...(18) * HG3 LYS 31 + HE2 LYS 31 OK 88 100 - 88 - 3.8=74, 1.8/2479=10...(18) HG2 LYS 119 - HE2 LYS 31 OK 25 100 - 25 - 2430/3.8=3, 2444=2...(10) HG2 LYS 119 - HE3 LYS 31 OK 25 100 - 25 - 2430/3.8=3, 2444=2...(10) HB2 LEU 93 - HE2 LYS 31 OK 16 100 - 17 - 2430/3.8=3, 1.8/2469=2...(10) HB2 LEU 93 - HE3 LYS 31 OK 16 100 - 17 - 2430/3.8=3, 1.8/2469=2...(10) HB3 LEU 58 - HE3 LYS 31 poor 8 73 - 11 - 8306/3.8=2, 2420/4.6=1 HB3 LEU 58 - HE2 LYS 31 poor 8 73 - 11 - 8306/3.8=2, 2420/4.6=1 HG2 LYS 109 - HE2 LYS 31 lone 7 89 - 8 - 2430/3.8=1 HG2 LYS 109 - HE3 LYS 31 lone 7 89 - 8 - 2430/3.8=1 HB3 LEU 101 - HE2 LYS 31 lone 6 73 - 9 - HB3 LEU 101 - HE3 LYS 31 lone 6 73 - 9 - HG LEU 93 - HE3 LYS 31 lone 6 60 - 10 - 3.0/2479=1, 2430/3.8=1 HG LEU 93 - HE2 LYS 31 lone 6 60 - 10 - 3.0/2479=1, 2430/3.8=1 HD2 LYS 46 - HE3 LYS 31 lone 4 100 - 4 - HD2 LYS 46 - HE2 LYS 31 lone 4 100 - 4 - HB3 LEU 45 - HE2 LYS 31 lone 4 95 - 4 - HB3 LEU 45 - HE3 LYS 31 lone 4 95 - 4 - HG LEU 24 - HE2 LYS 31 lone 3 95 - 4 - HG LEU 24 - HE3 LYS 31 lone 3 95 - 4 - HG LEU 91 - HE2 LYS 31 lone 3 68 - 5 - HG LEU 91 - HE3 LYS 31 lone 3 68 - 5 - HB3 GLU 75 - HE3 LYS 31 lone 3 95 - 3 - HB3 GLU 75 - HE2 LYS 31 lone 3 95 - 3 - QB ALA 14 - HE2 LYS 31 lone 2 100 - 2 - QB ALA 14 - HE3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HE3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HE2 LYS 31 lone 2 100 - 2 - QB ALA 89 - HE3 LYS 31 lone 1 76 - 1 - QB ALA 89 - HE2 LYS 31 lone 1 76 - 1 - HD2 LYS 65 - HE3 LYS 31 lone 1 83 - 1 - HD2 LYS 65 - HE2 LYS 31 lone 1 83 - 1 - HD3 LYS 65 - HE3 LYS 31 lone 1 83 - 1 - HD3 LYS 65 - HE2 LYS 31 lone 1 83 - 1 - Peak 2471 from cnoeabs.peaks (1.62, 2.97, 42.01 ppm; 2.72 A): 4 out of 38 assignments used, quality = 1.00: HD2 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD3 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD3 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) * HD2 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HB2 LEU 59 - HE2 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HB2 LEU 59 - HE3 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HD3 LYS 119 - HE2 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD3 LYS 119 - HE3 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD2 LYS 119 - HE2 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HD2 LYS 119 - HE3 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HB3 LYS 32 - HE3 LYS 31 lone 4 87 - 5 - HB3 LYS 32 - HE2 LYS 31 lone 4 87 - 5 - HG LEU 101 - HE3 LYS 31 lone 4 100 - 4 - HG LEU 101 - HE2 LYS 31 lone 4 100 - 4 - HG2 ARG 53 - HE2 LYS 31 lone 4 97 - 4 - HG2 ARG 53 - HE3 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HG2 PRO 30 - HE3 LYS 31 lone 3 99 - 3 - HG2 PRO 30 - HE2 LYS 31 lone 3 99 - 3 - HG12 ILE 63 - HE3 LYS 31 lone 1 85 - 2 - HG12 ILE 63 - HE2 LYS 31 lone 1 85 - 2 - HG LEU 51 - HE3 LYS 31 lone 1 95 - 1 - HG LEU 51 - HE2 LYS 31 lone 1 95 - 1 - HB3 GLN 42 - HE3 LYS 31 lone 1 92 - 1 - HB3 GLN 42 - HE2 LYS 31 lone 1 92 - 1 - HB3 LEU 126 - HE3 LYS 31 lone 1 87 - 1 - HB3 LEU 126 - HE2 LYS 31 lone 1 87 - 1 - HB2 LEU 126 - HE3 LYS 31 lone 1 85 - 1 - HB2 LEU 126 - HE2 LYS 31 lone 1 85 - 1 - HG3 ARG 85 - HE3 LYS 31 lone 1 73 - 1 - HG3 ARG 85 - HE2 LYS 31 lone 1 73 - 1 - HG LEU 126 - HE3 LYS 31 lone 0 68 - 1 - HG LEU 126 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE3 LYS 31 lone 0 68 - 1 - Peak 2472 from cnoeabs.peaks (1.62, 2.97, 42.01 ppm; 2.72 A): 4 out of 38 assignments used, quality = 1.00: HD2 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) * HD3 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD3 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD2 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HB2 LEU 59 - HE2 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HB2 LEU 59 - HE3 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HD3 LYS 119 - HE2 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD3 LYS 119 - HE3 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD2 LYS 119 - HE2 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HD2 LYS 119 - HE3 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HB3 LYS 32 - HE3 LYS 31 lone 4 87 - 5 - HB3 LYS 32 - HE2 LYS 31 lone 4 87 - 5 - HG LEU 101 - HE3 LYS 31 lone 4 100 - 4 - HG LEU 101 - HE2 LYS 31 lone 4 100 - 4 - HG2 ARG 53 - HE2 LYS 31 lone 4 97 - 4 - HG2 ARG 53 - HE3 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HG2 PRO 30 - HE3 LYS 31 lone 3 99 - 3 - HG2 PRO 30 - HE2 LYS 31 lone 3 99 - 3 - HG12 ILE 63 - HE3 LYS 31 lone 1 85 - 2 - HG12 ILE 63 - HE2 LYS 31 lone 1 85 - 2 - HG LEU 51 - HE3 LYS 31 lone 1 95 - 1 - HG LEU 51 - HE2 LYS 31 lone 1 95 - 1 - HB3 GLN 42 - HE3 LYS 31 lone 1 92 - 1 - HB3 GLN 42 - HE2 LYS 31 lone 1 92 - 1 - HB3 LEU 126 - HE3 LYS 31 lone 1 87 - 1 - HB3 LEU 126 - HE2 LYS 31 lone 1 87 - 1 - HB2 LEU 126 - HE3 LYS 31 lone 1 85 - 1 - HB2 LEU 126 - HE2 LYS 31 lone 1 85 - 1 - HG3 ARG 85 - HE3 LYS 31 lone 1 73 - 1 - HG3 ARG 85 - HE2 LYS 31 lone 1 73 - 1 - HG LEU 126 - HE3 LYS 31 lone 0 68 - 1 - HG LEU 126 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE3 LYS 31 lone 0 68 - 1 - Peak 2473 from cnoeabs.peaks (2.97, 2.97, 42.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 * HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 Peak 2474 from cnoeabs.peaks (2.97, 2.97, 42.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 Reference assignment not found: HE3 LYS 31 - HE2 LYS 31 Peak 2475 from cnoeabs.peaks (8.49, 2.97, 42.01 ppm; 5.55 A): 2 out of 18 assignments used, quality = 0.98: H LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 7.6=39, 895/3.8=20...(14) * H LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 7.6=39, 895/3.8=20...(14) H SER 13 - HE3 LYS 31 OK 30 100 - 30 - 17/1.8=5, 17=5...(12) H SER 13 - HE2 LYS 31 OK 30 100 - 30 - 17/1.8=5, 17=5...(12) H LEU 77 - HE2 LYS 31 OK 30 95 - 31 - 1141/4.6=6, 2415/4.6=5...(11) H LEU 77 - HE3 LYS 31 OK 30 95 - 31 - 1141/4.6=6, 2415/4.6=5...(11) H TYR 102 - HE3 LYS 31 OK 21 87 - 24 - 2425/3.8=3, 503/3.0=3...(10) H TYR 102 - HE2 LYS 31 OK 21 87 - 24 - 2425/3.8=3, 503/3.0=3...(10) H GLU 28 - HE2 LYS 31 OK 21 100 - 21 - 2425/3.8=4, 2415/4.6=4...(7) H GLU 28 - HE3 LYS 31 OK 21 100 - 21 - 2425/3.8=4, 2415/4.6=4...(7) H LEU 84 - HE3 LYS 31 OK 17 100 - 17 - 2425/3.8=3, 2415/4.6=3...(7) H LEU 84 - HE2 LYS 31 OK 17 100 - 17 - 2425/3.8=3, 2415/4.6=3...(7) H PHE 40 - HE2 LYS 31 OK 11 99 - 11 - 2425/3.8=2, 2415/4.6=1...(7) H PHE 40 - HE3 LYS 31 OK 11 99 - 11 - 2425/3.8=2, 2415/4.6=1...(7) H GLU 38 - HE2 LYS 31 lone 6 73 - 8 - 6704/3.8=1, 2425/3.8=1 H GLU 38 - HE3 LYS 31 lone 6 73 - 8 - 6704/3.8=1, 2425/3.8=1 H GLY 2 - HE2 LYS 31 lone 5 98 - 5 - H GLY 2 - HE3 LYS 31 lone 5 98 - 5 - Peak 2477 from cnoeabs.peaks (1.73, 2.97, 42.01 ppm; 4.61 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 100 100 - 100 - 4.6=98, 2.9/2479=12...(30) HB2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 - 4.6=98, 2.9/2479=12...(30) HB3 LEU 55 - HE2 LYS 31 OK 34 99 - 34 - 2427/3.8=6, 2417/4.6=5...(16) HB3 LEU 55 - HE3 LYS 31 OK 34 99 - 34 - 2427/3.8=6, 2417/4.6=5...(16) HB3 ARG 71 - HE2 LYS 31 OK 23 100 - 23 - 2409/3.8=4, 2417/4.6=3...(9) HB3 ARG 71 - HE3 LYS 31 OK 23 100 - 23 - 2409/3.8=4, 2417/4.6=3...(9) HB3 LEU 77 - HE3 LYS 31 OK 17 93 - 18 - 3.1/7349=3, 2427/3.8=3...(10) HB3 LEU 77 - HE2 LYS 31 OK 17 93 - 18 - 3.1/7349=3, 2427/3.8=3...(10) HG2 ARG 71 - HE2 LYS 31 OK 16 85 - 19 - 2427/3.8=3, 3.0/2414=2...(9) HG2 ARG 71 - HE3 LYS 31 OK 16 85 - 19 - 2427/3.8=3, 3.0/2414=2...(9) HB2 ARG 53 - HE2 LYS 31 OK 13 89 - 14 - 3133/3.0=2, 3133/3.0=2...(6) HB2 ARG 53 - HE3 LYS 31 OK 13 89 - 14 - 3133/3.0=2, 3133/3.0=2...(6) HB2 LEU 91 - HE3 LYS 31 OK 12 97 - 12 - 2427/3.8=2, 2437/3.8=2...(5) HB2 LEU 91 - HE2 LYS 31 OK 12 97 - 12 - 2427/3.8=2, 2437/3.8=2...(5) HB3 LYS 46 - HE3 LYS 31 lone 4 65 - 7 - HB3 LYS 46 - HE2 LYS 31 lone 4 65 - 7 - HB2 LEU 45 - HE2 LYS 31 lone 4 60 - 7 - HB2 LEU 45 - HE3 LYS 31 lone 4 60 - 7 - HB VAL 66 - HE2 LYS 31 lone 2 76 - 2 - HB VAL 66 - HE3 LYS 31 lone 2 76 - 2 - Peak 2478 from cnoeabs.peaks (1.88, 2.97, 42.01 ppm; 4.10 A): 2 out of 30 assignments used, quality = 1.00: HB3 LYS 31 + HE2 LYS 31 OK 93 100 - 93 - 4.6=69, 2.9/2469=11...(30) * HB3 LYS 31 + HE3 LYS 31 OK 93 100 - 93 - 4.6=69, 2.9/2469=11...(30) HB2 LYS 119 - HE3 LYS 31 OK 33 100 - 34 - 2428/3.8=4, 5204/3.8=4...(13) HB2 LYS 119 - HE2 LYS 31 OK 33 100 - 34 - 2428/3.8=4, 5204/3.8=4...(13) HG LEU 55 - HE3 LYS 31 OK 22 100 - 23 - 2428/3.8=4, 3243/4.6=3...(12) HG LEU 55 - HE2 LYS 31 OK 22 100 - 23 - 2428/3.8=4, 3243/4.6=3...(12) HB2 LEU 58 - HE2 LYS 31 OK 16 95 - 17 - 2428/3.8=3, 2408/4.6=2...(8) HB2 LEU 58 - HE3 LYS 31 OK 16 95 - 17 - 2428/3.8=3, 2408/4.6=2...(8) HB3 LYS 109 - HE3 LYS 31 OK 11 85 - 13 - 4.6/1333=2, 2428/3.8=2 HB3 LYS 109 - HE2 LYS 31 OK 11 85 - 13 - 4.6/1333=2, 2428/3.8=2 HG LEU 84 - HE2 LYS 31 lone 8 100 - 8 - 2428/3.8=1 HG LEU 84 - HE3 LYS 31 lone 8 100 - 8 - 2428/3.8=1 HB3 GLU 28 - HE3 LYS 31 lone 7 92 - 7 - 2428/3.8=1 HB3 GLU 28 - HE2 LYS 31 lone 7 92 - 7 - 2428/3.8=1 HB2 GLU 28 - HE2 LYS 31 lone 6 85 - 8 - HB2 GLU 28 - HE3 LYS 31 lone 6 85 - 8 - HB2 LEU 84 - HE3 LYS 31 lone 6 87 - 6 - HB2 LEU 84 - HE2 LYS 31 lone 6 87 - 6 - HB VAL 50 - HE2 LYS 31 lone 4 100 - 4 - HB VAL 50 - HE3 LYS 31 lone 4 100 - 4 - HB2 ARG 92 - HE2 LYS 31 lone 3 98 - 3 - HB2 ARG 92 - HE3 LYS 31 lone 3 98 - 3 - HG3 PRO 68 - HE3 LYS 31 lone 2 92 - 3 - HG3 PRO 68 - HE2 LYS 31 lone 2 92 - 3 - HB ILE 22 - HE3 LYS 31 lone 2 73 - 3 - HB ILE 22 - HE2 LYS 31 lone 2 73 - 3 - HB2 ARG 81 - HE3 LYS 31 lone 2 76 - 2 - HB2 ARG 81 - HE2 LYS 31 lone 2 76 - 2 - HB3 GLU 73 - HE3 LYS 31 lone 1 68 - 1 - HB3 GLU 73 - HE2 LYS 31 lone 1 68 - 1 - Peak 2479 from cnoeabs.peaks (1.37, 2.97, 42.01 ppm; 3.46 A): 2 out of 14 assignments used, quality = 0.99: HG2 LYS 31 + HE2 LYS 31 OK 91 100 - 91 - 3.8=78, 1.8/2480=9...(24) * HG2 LYS 31 + HE3 LYS 31 OK 91 100 - 91 - 3.8=78, 1.8/2480=9...(24) HB3 LEU 93 - HE3 LYS 31 OK 18 96 - 19 - 2419/4.6=3, 2439/3.8=3...(9) HB3 LEU 93 - HE2 LYS 31 OK 18 96 - 19 - 2419/4.6=3, 2439/3.8=3...(9) HB VAL 110 - HE2 LYS 31 OK 16 76 - 21 - 2.1/4981=3, 2.1/4986=3...(9) HB VAL 110 - HE3 LYS 31 OK 16 76 - 21 - 2.1/4981=3, 2.1/4986=3...(9) HB3 LEU 59 - HE3 LYS 31 OK 12 76 - 16 - 2419/4.6=2, 3405/3.0=2...(5) HB3 LEU 59 - HE2 LYS 31 OK 12 76 - 16 - 2419/4.6=2, 3405/3.0=2...(5) QG2 THR 121 - HE2 LYS 31 lone 10 99 - 10 - 8090/4.6=2, ~8081=1...(6) QG2 THR 121 - HE3 LYS 31 lone 10 99 - 10 - 8090/4.6=2, ~8081=1...(6) HB2 LEU 111 - HE3 LYS 31 lone 6 85 - 6 - 3.8/561=1, 4.6/1753=1 HB2 LEU 111 - HE2 LYS 31 lone 6 85 - 6 - 3.8/561=1, 4.6/1753=1 HB2 LEU 27 - HE2 LYS 31 lone 3 68 - 4 - HB2 LEU 27 - HE3 LYS 31 lone 3 68 - 4 - Peak 2480 from cnoeabs.peaks (1.46, 2.97, 42.01 ppm; 3.40 A): 2 out of 34 assignments used, quality = 0.99: * HG3 LYS 31 + HE3 LYS 31 OK 88 100 - 88 - 3.8=74, 1.8/2479=10...(18) HG3 LYS 31 + HE2 LYS 31 OK 88 100 - 88 - 3.8=74, 1.8/2479=10...(18) HG2 LYS 119 - HE2 LYS 31 OK 25 100 - 25 - 2430/3.8=3, 2444=2...(10) HG2 LYS 119 - HE3 LYS 31 OK 25 100 - 25 - 2430/3.8=3, 2444=2...(10) HB2 LEU 93 - HE2 LYS 31 OK 16 100 - 17 - 2430/3.8=3, 1.8/2469=2...(10) HB2 LEU 93 - HE3 LYS 31 OK 16 100 - 17 - 2430/3.8=3, 1.8/2469=2...(10) HB3 LEU 58 - HE3 LYS 31 poor 8 73 - 11 - 8306/3.8=2, 2420/4.6=1 HB3 LEU 58 - HE2 LYS 31 poor 8 73 - 11 - 8306/3.8=2, 2420/4.6=1 HG2 LYS 109 - HE2 LYS 31 lone 7 89 - 8 - 2430/3.8=1 HG2 LYS 109 - HE3 LYS 31 lone 7 89 - 8 - 2430/3.8=1 HB3 LEU 101 - HE2 LYS 31 lone 6 73 - 9 - HB3 LEU 101 - HE3 LYS 31 lone 6 73 - 9 - HG LEU 93 - HE3 LYS 31 lone 6 60 - 10 - 3.0/2479=1, 2430/3.8=1 HG LEU 93 - HE2 LYS 31 lone 6 60 - 10 - 3.0/2479=1, 2430/3.8=1 HD2 LYS 46 - HE3 LYS 31 lone 4 100 - 4 - HD2 LYS 46 - HE2 LYS 31 lone 4 100 - 4 - HB3 LEU 45 - HE2 LYS 31 lone 4 95 - 4 - HB3 LEU 45 - HE3 LYS 31 lone 4 95 - 4 - HG LEU 24 - HE2 LYS 31 lone 3 95 - 4 - HG LEU 24 - HE3 LYS 31 lone 3 95 - 4 - HG LEU 91 - HE2 LYS 31 lone 3 68 - 5 - HG LEU 91 - HE3 LYS 31 lone 3 68 - 5 - HB3 GLU 75 - HE3 LYS 31 lone 3 95 - 3 - HB3 GLU 75 - HE2 LYS 31 lone 3 95 - 3 - QB ALA 14 - HE2 LYS 31 lone 2 100 - 2 - QB ALA 14 - HE3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HE3 LYS 31 lone 2 100 - 2 - HG3 ARG 57 - HE2 LYS 31 lone 2 100 - 2 - QB ALA 89 - HE3 LYS 31 lone 1 76 - 1 - QB ALA 89 - HE2 LYS 31 lone 1 76 - 1 - HD2 LYS 65 - HE3 LYS 31 lone 1 83 - 1 - HD2 LYS 65 - HE2 LYS 31 lone 1 83 - 1 - HD3 LYS 65 - HE3 LYS 31 lone 1 83 - 1 - HD3 LYS 65 - HE2 LYS 31 lone 1 83 - 1 - Peak 2481 from cnoeabs.peaks (1.62, 2.97, 42.01 ppm; 2.72 A): 4 out of 38 assignments used, quality = 1.00: * HD2 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD3 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD3 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD2 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HB2 LEU 59 - HE2 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HB2 LEU 59 - HE3 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HD3 LYS 119 - HE2 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD3 LYS 119 - HE3 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD2 LYS 119 - HE2 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HD2 LYS 119 - HE3 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HB3 LYS 32 - HE3 LYS 31 lone 4 87 - 5 - HB3 LYS 32 - HE2 LYS 31 lone 4 87 - 5 - HG LEU 101 - HE3 LYS 31 lone 4 100 - 4 - HG LEU 101 - HE2 LYS 31 lone 4 100 - 4 - HG2 ARG 53 - HE2 LYS 31 lone 4 97 - 4 - HG2 ARG 53 - HE3 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HG2 PRO 30 - HE3 LYS 31 lone 3 99 - 3 - HG2 PRO 30 - HE2 LYS 31 lone 3 99 - 3 - HG12 ILE 63 - HE3 LYS 31 lone 1 85 - 2 - HG12 ILE 63 - HE2 LYS 31 lone 1 85 - 2 - HG LEU 51 - HE3 LYS 31 lone 1 95 - 1 - HG LEU 51 - HE2 LYS 31 lone 1 95 - 1 - HB3 GLN 42 - HE3 LYS 31 lone 1 92 - 1 - HB3 GLN 42 - HE2 LYS 31 lone 1 92 - 1 - HB3 LEU 126 - HE3 LYS 31 lone 1 87 - 1 - HB3 LEU 126 - HE2 LYS 31 lone 1 87 - 1 - HB2 LEU 126 - HE3 LYS 31 lone 1 85 - 1 - HB2 LEU 126 - HE2 LYS 31 lone 1 85 - 1 - HG3 ARG 85 - HE3 LYS 31 lone 1 73 - 1 - HG3 ARG 85 - HE2 LYS 31 lone 1 73 - 1 - HG LEU 126 - HE3 LYS 31 lone 0 68 - 1 - HG LEU 126 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE3 LYS 31 lone 0 68 - 1 - Peak 2482 from cnoeabs.peaks (1.62, 2.97, 42.01 ppm; 2.72 A): 4 out of 38 assignments used, quality = 1.00: HD2 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD3 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) * HD3 LYS 31 + HE3 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HD2 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 3.0=75, 3.0/2469=5...(16) HB2 LEU 59 - HE2 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HB2 LEU 59 - HE3 LYS 31 lone 9 100 - 9 - 3399/3.8=1 HD3 LYS 119 - HE2 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD3 LYS 119 - HE3 LYS 31 lone 6 73 - 9 - 3.0/2470=1 HD2 LYS 119 - HE2 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HD2 LYS 119 - HE3 LYS 31 lone 6 71 - 9 - 3.0/2470=1 HB3 LYS 32 - HE3 LYS 31 lone 4 87 - 5 - HB3 LYS 32 - HE2 LYS 31 lone 4 87 - 5 - HG LEU 101 - HE3 LYS 31 lone 4 100 - 4 - HG LEU 101 - HE2 LYS 31 lone 4 100 - 4 - HG2 ARG 53 - HE2 LYS 31 lone 4 97 - 4 - HG2 ARG 53 - HE3 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD3 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE2 LYS 31 lone 4 97 - 4 - HD2 LYS 32 - HE3 LYS 31 lone 4 97 - 4 - HG2 PRO 30 - HE3 LYS 31 lone 3 99 - 3 - HG2 PRO 30 - HE2 LYS 31 lone 3 99 - 3 - HG12 ILE 63 - HE3 LYS 31 lone 1 85 - 2 - HG12 ILE 63 - HE2 LYS 31 lone 1 85 - 2 - HG LEU 51 - HE3 LYS 31 lone 1 95 - 1 - HG LEU 51 - HE2 LYS 31 lone 1 95 - 1 - HB3 GLN 42 - HE3 LYS 31 lone 1 92 - 1 - HB3 GLN 42 - HE2 LYS 31 lone 1 92 - 1 - HB3 LEU 126 - HE3 LYS 31 lone 1 87 - 1 - HB3 LEU 126 - HE2 LYS 31 lone 1 87 - 1 - HB2 LEU 126 - HE3 LYS 31 lone 1 85 - 1 - HB2 LEU 126 - HE2 LYS 31 lone 1 85 - 1 - HG3 ARG 85 - HE3 LYS 31 lone 1 73 - 1 - HG3 ARG 85 - HE2 LYS 31 lone 1 73 - 1 - HG LEU 126 - HE3 LYS 31 lone 0 68 - 1 - HG LEU 126 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE2 LYS 31 lone 0 68 - 1 - HB ILE 34 - HE3 LYS 31 lone 0 68 - 1 - Peak 2483 from cnoeabs.peaks (2.97, 2.97, 42.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 Reference assignment not found: HE2 LYS 31 - HE3 LYS 31 Peak 2484 from cnoeabs.peaks (2.97, 2.97, 42.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 Peak 2485 from cnoeabs.peaks (7.41, 4.42, 54.38 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 32 + HA LYS 32 OK 100 100 - 100 - 2.9=100 HD21 ASN 79 - HA LYS 32 OK 43 99 - 44 - 1.7/5526=8, 2505/3.0=6...(15) H GLU 75 - HA LYS 32 OK 18 90 - 19 - 2495/3.0=3, 2505/3.0=3...(7) H PHE 96 - HA LYS 32 OK 11 85 - 13 - 2495/3.0=2, 2505/3.0=2...(7) H SER 72 - HA LYS 32 lone 7 99 - 7 - 2495/3.0=1, 2505/3.0=1 HE21 GLN 105 - HA LYS 32 lone 5 92 - 6 - 128/3.6=1 Peak 2486 from cnoeabs.peaks (4.42, 4.42, 54.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 32 + HA LYS 32 OK 100 100 - 100 Peak 2487 from cnoeabs.peaks (1.79, 4.42, 54.38 ppm; 3.11 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.0=100 HG3 PRO 30 - HA LYS 32 OK 42 76 - 56 - 2.3/6609=10, 2.3/6608=9...(19) HB2 GLU 75 - HA LYS 32 OK 19 97 - 19 - 903/2.9=2, 2507/3.0=2...(9) HB2 PRO 37 - HA LYS 32 OK 14 100 - 14 - 6677/3.8=2, 130/3.6=2...(5) HG2 GLU 75 - HA LYS 32 poor 8 65 - 12 - ~3972=1, 903/2.9=1 HB2 LEU 117 - HA LYS 32 lone 7 95 - 8 - 4.0/1781=2 HD3 LYS 109 - HA LYS 32 lone 4 81 - 5 - HG LEU 117 - HA LYS 32 lone 4 73 - 6 - 4.8/1781=1 HD2 LYS 109 - HA LYS 32 lone 4 73 - 5 - HB3 GLU 56 - HA LYS 32 lone 3 99 - 3 - HG2 GLN 42 - HA LYS 32 lone 3 65 - 5 - HB2 PRO 60 - HA LYS 32 lone 2 89 - 2 - HB3 ARG 57 - HA LYS 32 lone 1 68 - 2 - HB3 ARG 92 - HA LYS 32 lone 1 83 - 2 - Peak 2488 from cnoeabs.peaks (1.64, 4.42, 54.38 ppm; 3.10 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 - HA LYS 32 OK 38 60 - 63 - 5.0=23, 2.9/2490=8...(25) HD3 LYS 32 - HA LYS 32 OK 38 60 - 63 - 5.0=23, 2.9/2490=8...(25) HG2 PRO 30 - HA LYS 32 OK 35 68 - 52 - 2.3/6609=10, 2.3/6608=9...(17) HD2 LYS 31 - HA LYS 32 OK 26 87 - 30 - ~5519=3, ~5520=3...(15) HD3 LYS 31 - HA LYS 32 OK 26 87 - 30 - ~5519=3, ~5520=3...(15) HB ILE 34 - HA LYS 32 OK 12 99 - 13 - 131/3.6=3, 2498/3.0=1 HB3 GLN 42 - HA LYS 32 lone 5 100 - 5 - HB3 LEU 41 - HA LYS 32 lone 5 89 - 5 - HG LEU 101 - HA LYS 32 lone 4 83 - 5 - HG LEU 27 - HA LYS 32 lone 3 95 - 3 - HG LEU 51 - HA LYS 32 lone 3 100 - 3 - HB2 LEU 59 - HA LYS 32 lone 3 92 - 3 - HG3 ARG 85 - HA LYS 32 lone 2 99 - 2 - HG2 ARG 53 - HA LYS 32 lone 1 60 - 2 - Peak 2489 from cnoeabs.peaks (1.22, 4.42, 54.38 ppm; 3.94 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.8=100 HG13 ILE 124 - HA LYS 32 OK 27 73 - 37 - 8117=7, 1.8/8126=6...(11) HG LEU 77 - HA LYS 32 OK 26 87 - 30 - 905/2.9=4, 2499/3.0=4...(11) HB2 LEU 77 - HA LYS 32 OK 25 71 - 35 - 905/2.9=4, 2499/3.0=4...(18) HB3 LEU 24 - HA LYS 32 OK 20 100 - 20 - 2208/3.6=3, 905/2.9=3...(7) QG2 VAL 18 - HA LYS 32 OK 18 97 - 19 - 2509/3.0=3, 132/3.6=3...(5) HB3 LEU 111 - HA LYS 32 OK 13 100 - 13 - 905/2.9=2, 2499/3.0=2...(6) Peak 2490 from cnoeabs.peaks (1.26, 4.42, 54.38 ppm; 3.79 A): 1 out of 8 assignments used, quality = 0.98: * HG3 LYS 32 + HA LYS 32 OK 98 100 - 98 - 3.8=95, 5.0/129=14...(22) HG13 ILE 124 - HA LYS 32 OK 29 81 - 36 - 8117=7, 1.8/8126=6...(11) QG2 THR 116 - HA LYS 32 OK 25 98 - 26 - 2.1/6233=6, 2500/3.0=3...(11) QD1 ILE 80 - HA LYS 32 OK 24 99 - 24 - 906/2.9=4, 2510/3.0=3...(11) QG2 ILE 80 - HA LYS 32 OK 21 99 - 22 - 906/2.9=3, 2510/3.0=3...(10) HG LEU 77 - HA LYS 32 OK 14 65 - 22 - 3.0/2489=3, 906/2.9=2...(11) QG2 THR 19 - HA LYS 32 OK 12 100 - 11 - 2510/3.0=2, 2500/3.0=2...(4) HG LEU 54 - HA LYS 32 lone 6 78 - 7 - 5624/3.6=2 Peak 2491 from cnoeabs.peaks (1.61, 4.42, 54.38 ppm; 3.39 A): 4 out of 17 assignments used, quality = 0.99: * HD2 LYS 32 + HA LYS 32 OK 74 100 - 74 - 5.0=30, 2.9/2490=10...(29) HD3 LYS 32 + HA LYS 32 OK 74 100 - 74 - 5.0=30, 2.9/2490=10...(29) HG2 PRO 30 + HA LYS 32 OK 62 100 - 63 - 2.3/6609=12, 2.3/6608=11...(22) HB3 LYS 32 + HA LYS 32 OK 60 60 - 100 - 3.0=100 HD3 LYS 31 - HA LYS 32 OK 35 97 - 36 - ~5519=4, ~5520=4, ~122=4...(15) HD2 LYS 31 - HA LYS 32 OK 35 97 - 36 - ~5519=4, ~5520=4, ~122=4...(15) HD3 LYS 119 - HA LYS 32 OK 14 95 - 15 - 2546=1, 2502/3.0=1...(5) HD2 LYS 119 - HA LYS 32 OK 14 93 - 15 - 2536=1, 1.8/2536=1...(5) HG LEU 101 - HA LYS 32 lone 7 98 - 7 - HB3 GLN 42 - HA LYS 32 lone 4 68 - 6 - HB2 LEU 59 - HA LYS 32 lone 4 93 - 4 - HG2 ARG 53 - HA LYS 32 lone 3 100 - 3 - HG LEU 126 - HA LYS 32 lone 3 92 - 3 - HB3 LEU 126 - HA LYS 32 lone 3 99 - 3 - HB2 LEU 126 - HA LYS 32 lone 3 99 - 3 - HG LEU 51 - HA LYS 32 lone 2 73 - 3 - HG12 ILE 63 - HA LYS 32 lone 2 99 - 2 - Peak 2492 from cnoeabs.peaks (1.61, 4.42, 54.38 ppm; 3.39 A): 4 out of 17 assignments used, quality = 0.99: HD2 LYS 32 + HA LYS 32 OK 74 100 - 74 - 5.0=30, 2.9/2490=10...(29) * HD3 LYS 32 + HA LYS 32 OK 74 100 - 74 - 5.0=30, 2.9/2490=10...(29) HG2 PRO 30 + HA LYS 32 OK 62 100 - 63 - 2.3/6609=12, 2.3/6608=11...(22) HB3 LYS 32 + HA LYS 32 OK 60 60 - 100 - 3.0=100 HD3 LYS 31 - HA LYS 32 OK 35 97 - 36 - ~5519=4, ~5520=4, ~122=4...(15) HD2 LYS 31 - HA LYS 32 OK 35 97 - 36 - ~5519=4, ~5520=4, ~122=4...(15) HD3 LYS 119 - HA LYS 32 OK 14 95 - 15 - 2546=1, 2502/3.0=1...(5) HD2 LYS 119 - HA LYS 32 OK 14 93 - 15 - 2536=1, 1.8/2536=1...(5) HG LEU 101 - HA LYS 32 lone 7 98 - 7 - HB3 GLN 42 - HA LYS 32 lone 4 68 - 6 - HB2 LEU 59 - HA LYS 32 lone 4 93 - 4 - HG2 ARG 53 - HA LYS 32 lone 3 100 - 3 - HG LEU 126 - HA LYS 32 lone 3 92 - 3 - HB3 LEU 126 - HA LYS 32 lone 3 99 - 3 - HB2 LEU 126 - HA LYS 32 lone 3 99 - 3 - HG LEU 51 - HA LYS 32 lone 2 73 - 3 - HG12 ILE 63 - HA LYS 32 lone 2 99 - 2 - Peak 2495 from cnoeabs.peaks (7.41, 1.79, 34.15 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 32 + HB2 LYS 32 OK 98 100 - 98 - 4.0=94, 2505/1.8=20...(16) HD21 ASN 79 + HB2 LYS 32 OK 49 99 - 49 - 2505/1.8=10, 1.7/5527=9...(12) H GLU 75 - HB2 LYS 32 OK 27 90 - 30 - 1130=4, 2505/1.8=4...(9) H PHE 96 - HB2 LYS 32 OK 18 85 - 21 - 2505/1.8=3, 2525/3.0=3...(9) H SER 72 - HB2 LYS 32 OK 11 99 - 11 - 2505/1.8=2, 2525/3.0=1...(5) HE21 GLN 105 - HB2 LYS 32 lone 7 92 - 7 - 2505/1.8=1 Peak 2496 from cnoeabs.peaks (4.42, 1.79, 34.15 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 3.0=100 HA SER 29 - HB2 LYS 32 OK 31 97 - 33 - 6572=8, 2506/1.8=6...(11) HA THR 121 - HB2 LYS 32 OK 18 95 - 19 - 2506/1.8=4, 2516/3.0=3...(6) HA SER 113 - HB2 LYS 32 OK 10 90 - 11 - 2506/1.8=2, 2516/3.0=2...(4) Peak 2497 from cnoeabs.peaks (1.79, 1.79, 34.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 Peak 2498 from cnoeabs.peaks (1.64, 1.79, 34.15 ppm; 2.41 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 1.8=100 HD2 LYS 32 - HB2 LYS 32 OK 29 60 - 48 - 3.5=33, 3.0/2567=2...(14) HD3 LYS 32 - HB2 LYS 32 OK 29 60 - 48 - 3.5=33, 3.0/2567=2...(14) HG2 PRO 30 - HB2 LYS 32 OK 16 68 - 24 - 6607/3.0=2, ~2507=2...(9) HB ILE 34 - HB2 LYS 32 lone 9 99 - 9 - 131/4.7=1 HD2 LYS 31 - HB2 LYS 32 lone 7 87 - 8 - 2488/3.0=1, 904/4.0=1 HD3 LYS 31 - HB2 LYS 32 lone 7 87 - 8 - 2488/3.0=1, 904/4.0=1 HG LEU 101 - HB2 LYS 32 lone 4 83 - 5 - HB3 LEU 41 - HB2 LYS 32 lone 4 89 - 4 - HB3 GLN 42 - HB2 LYS 32 lone 3 100 - 3 - HG LEU 51 - HB2 LYS 32 lone 2 100 - 2 - HG LEU 27 - HB2 LYS 32 lone 2 95 - 2 - HG3 ARG 85 - HB2 LYS 32 lone 2 99 - 1 - HB2 LEU 59 - HB2 LYS 32 lone 1 92 - 1 - HG2 ARG 53 - HB2 LYS 32 lone 1 60 - 1 - Peak 2499 from cnoeabs.peaks (1.22, 1.79, 34.15 ppm; 3.46 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 3.0=100 HG LEU 77 - HB2 LYS 32 OK 27 87 - 31 - 2509/1.8=4, 2529/3.0=3...(14) HB2 LEU 77 - HB2 LYS 32 OK 26 71 - 36 - 2509/1.8=4, 2529/3.0=3...(19) QG2 VAL 18 - HB2 LYS 32 OK 20 97 - 21 - 2509/1.8=3, 8400=2...(7) HB3 LEU 24 - HB2 LYS 32 OK 18 100 - 18 - 2509/1.8=3, 2489/3.0=2...(6) HG13 ILE 124 - HB2 LYS 32 OK 18 73 - 24 - 8117/3.0=4, 2509/1.8=3...(10) HB3 LEU 111 - HB2 LYS 32 OK 12 100 - 12 - 2509/1.8=2, 2529/3.0=1...(4) Peak 2500 from cnoeabs.peaks (1.26, 1.79, 34.15 ppm; 3.36 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 3.0=100 QD1 ILE 80 - HB2 LYS 32 OK 21 99 - 21 - 2510/1.8=3, 2490/3.0=2...(8) QG2 ILE 80 - HB2 LYS 32 OK 19 99 - 20 - 2510/1.8=3, 2490/3.0=2...(6) QG2 THR 116 - HB2 LYS 32 OK 19 98 - 19 - 2510/1.8=3, 2490/3.0=3...(7) HG13 ILE 124 - HB2 LYS 32 OK 19 81 - 24 - 8117/3.0=4, 2510/1.8=3...(10) HG LEU 77 - HB2 LYS 32 OK 16 65 - 24 - 3.0/2499=3, 2510/1.8=3...(12) QG2 THR 19 - HB2 LYS 32 lone 10 100 - 10 - 2510/1.8=2, 2490/3.0=1 HG LEU 54 - HB2 LYS 32 lone 6 78 - 8 - 5624/4.7=1, 2510/1.8=1 Peak 2501 from cnoeabs.peaks (1.61, 1.79, 34.15 ppm; 2.79 A): 3 out of 17 assignments used, quality = 0.96: * HD2 LYS 32 + HB2 LYS 32 OK 67 100 - 67 - 3.5=51, 2491/3.0=3...(18) HD3 LYS 32 + HB2 LYS 32 OK 67 100 - 67 - 3.5=51, 2492/3.0=3...(18) HB3 LYS 32 + HB2 LYS 32 OK 60 60 - 100 - 1.8=100 HG2 PRO 30 - HB2 LYS 32 OK 36 100 - 37 - 6607/3.0=5, ~2507=3...(16) HD3 LYS 31 - HB2 LYS 32 OK 12 97 - 12 - 2492/3.0=2, 125/4.0=1 HD2 LYS 31 - HB2 LYS 32 OK 12 97 - 12 - 2492/3.0=2, 124/4.0=1 HD3 LYS 119 - HB2 LYS 32 OK 11 95 - 12 - HD2 LYS 119 - HB2 LYS 32 OK 11 93 - 12 - HG LEU 101 - HB2 LYS 32 lone 8 98 - 8 - HB3 GLN 42 - HB2 LYS 32 lone 3 68 - 4 - HG2 ARG 53 - HB2 LYS 32 lone 2 100 - 2 - HB2 LEU 59 - HB2 LYS 32 lone 2 93 - 2 - HG LEU 126 - HB2 LYS 32 lone 2 92 - 2 - HB3 LEU 126 - HB2 LYS 32 lone 2 99 - 2 - HB2 LEU 126 - HB2 LYS 32 lone 2 99 - 2 - HG LEU 51 - HB2 LYS 32 lone 2 73 - 2 - HG12 ILE 63 - HB2 LYS 32 lone 2 99 - 2 - Peak 2502 from cnoeabs.peaks (1.61, 1.79, 34.15 ppm; 2.79 A): 3 out of 17 assignments used, quality = 0.96: HD2 LYS 32 + HB2 LYS 32 OK 67 100 - 67 - 3.5=51, 2491/3.0=3...(18) * HD3 LYS 32 + HB2 LYS 32 OK 67 100 - 67 - 3.5=51, 2492/3.0=3...(18) HB3 LYS 32 + HB2 LYS 32 OK 60 60 - 100 - 1.8=100 HG2 PRO 30 - HB2 LYS 32 OK 36 100 - 37 - 6607/3.0=5, ~2507=3...(16) HD3 LYS 31 - HB2 LYS 32 OK 12 97 - 12 - 2492/3.0=2, 125/4.0=1 HD2 LYS 31 - HB2 LYS 32 OK 12 97 - 12 - 2492/3.0=2, 124/4.0=1 HD3 LYS 119 - HB2 LYS 32 OK 11 95 - 12 - HD2 LYS 119 - HB2 LYS 32 OK 11 93 - 12 - HG LEU 101 - HB2 LYS 32 lone 8 98 - 8 - HB3 GLN 42 - HB2 LYS 32 lone 3 68 - 4 - HG2 ARG 53 - HB2 LYS 32 lone 2 100 - 2 - HB2 LEU 59 - HB2 LYS 32 lone 2 93 - 2 - HG LEU 126 - HB2 LYS 32 lone 2 92 - 2 - HB3 LEU 126 - HB2 LYS 32 lone 2 99 - 2 - HB2 LEU 126 - HB2 LYS 32 lone 2 99 - 2 - HG LEU 51 - HB2 LYS 32 lone 2 73 - 2 - HG12 ILE 63 - HB2 LYS 32 lone 2 99 - 2 - Peak 2505 from cnoeabs.peaks (7.41, 1.64, 34.15 ppm; 3.74 A): 2 out of 6 assignments used, quality = 0.96: * H LYS 32 + HB3 LYS 32 OK 92 100 - 92 - 4.0=82, 2495/1.8=16...(16) HD21 ASN 79 + HB3 LYS 32 OK 45 99 - 45 - 1.7/5528=9, 2495/1.8=8...(12) H GLU 75 - HB3 LYS 32 OK 19 90 - 21 - 2495/1.8=5, 2515/3.0=3...(7) H PHE 96 - HB3 LYS 32 OK 14 85 - 17 - 2495/1.8=3, 2525/3.0=3...(7) H SER 72 - HB3 LYS 32 lone 8 99 - 8 - 2495/1.8=2, 2485/3.0=1...(4) HE21 GLN 105 - HB3 LYS 32 lone 6 92 - 6 - 2495/1.8=1 Peak 2506 from cnoeabs.peaks (4.42, 1.64, 34.15 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 3.0=100 HA SER 29 - HB3 LYS 32 OK 29 97 - 31 - 6572/1.8=9, 2516/3.0=4...(11) HA THR 121 - HB3 LYS 32 OK 18 95 - 19 - 2496/1.8=4, 2516/3.0=3...(6) HA SER 113 - HB3 LYS 32 OK 11 90 - 12 - 2496/1.8=2, 2516/3.0=2...(4) Peak 2507 from cnoeabs.peaks (1.79, 1.64, 34.15 ppm; 2.40 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 1.8=100 HG3 PRO 30 - HB3 LYS 32 OK 23 76 - 31 - 2487/3.0=3, ~6607=2...(9) HB2 PRO 37 - HB3 LYS 32 OK 11 100 - 11 - 6677/3.0=2, 2527/3.0=1 HB2 GLU 75 - HB3 LYS 32 lone 10 97 - 10 - 2487/3.0=1, 2517/3.0=1 HG2 GLU 75 - HB3 LYS 32 lone 4 65 - 6 - HB2 LEU 117 - HB3 LYS 32 lone 4 95 - 4 - HD3 LYS 109 - HB3 LYS 32 lone 3 81 - 3 - HG2 GLN 42 - HB3 LYS 32 lone 3 65 - 4 - HD2 LYS 109 - HB3 LYS 32 lone 2 73 - 3 - HB3 GLU 56 - HB3 LYS 32 lone 2 99 - 2 - HG LEU 117 - HB3 LYS 32 lone 2 73 - 3 - HB2 PRO 60 - HB3 LYS 32 lone 1 89 - 2 - HB3 ARG 92 - HB3 LYS 32 lone 1 83 - 1 - HB3 ARG 57 - HB3 LYS 32 lone 1 68 - 1 - Peak 2508 from cnoeabs.peaks (1.64, 1.64, 34.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 Peak 2509 from cnoeabs.peaks (1.22, 1.64, 34.15 ppm; 3.44 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 3.0=100 HG LEU 77 - HB3 LYS 32 OK 26 87 - 31 - 2499/1.8=4, 2529/3.0=3...(14) HB2 LEU 77 - HB3 LYS 32 OK 25 71 - 36 - 2499/1.8=4, 2529/3.0=3...(18) QG2 VAL 18 - HB3 LYS 32 OK 21 97 - 21 - 2499/1.8=3, 8399=2...(6) HB3 LEU 24 - HB3 LYS 32 OK 18 100 - 18 - 2499/1.8=3, 2489/3.0=2...(6) HG13 ILE 124 - HB3 LYS 32 OK 17 73 - 23 - 8117/3.0=4, 2499/1.8=3...(10) HB3 LEU 111 - HB3 LYS 32 OK 12 100 - 12 - 2499/1.8=2, 2529/3.0=1...(4) Peak 2510 from cnoeabs.peaks (1.26, 1.64, 34.15 ppm; 3.50 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 3.0=100 QD1 ILE 80 - HB3 LYS 32 OK 22 99 - 23 - 2500/1.8=4, 2490/3.0=3...(8) QG2 ILE 80 - HB3 LYS 32 OK 21 99 - 21 - 2500/1.8=3, 2490/3.0=2...(6) HG13 ILE 124 - HB3 LYS 32 OK 21 81 - 26 - 8117/3.0=4, 2500/1.8=3...(10) QG2 THR 116 - HB3 LYS 32 OK 20 98 - 20 - 2500/1.8=3, 2490/3.0=3...(9) HG LEU 77 - HB3 LYS 32 OK 17 65 - 26 - 3.0/2509=3, 2500/1.8=3...(14) QG2 THR 19 - HB3 LYS 32 OK 11 100 - 11 - 2500/1.8=2, 2490/3.0=1 HG LEU 54 - HB3 LYS 32 lone 6 78 - 8 - 5624/4.7=1, 2500/1.8=1 Peak 2511 from cnoeabs.peaks (1.61, 1.64, 34.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: HB3 LYS 32 + HB3 LYS 32 OK 60 60 - 100 Reference assignment not found: HD2 LYS 32 - HB3 LYS 32 Peak 2512 from cnoeabs.peaks (1.61, 1.64, 34.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: HB3 LYS 32 + HB3 LYS 32 OK 60 60 - 100 Reference assignment not found: HD3 LYS 32 - HB3 LYS 32 Peak 2515 from cnoeabs.peaks (7.41, 1.22, 23.65 ppm; 4.57 A): 2 out of 6 assignments used, quality = 0.97: * H LYS 32 + HG2 LYS 32 OK 94 100 - 94 - 5.0=76, 2505/3.0=20...(15) HD21 ASN 79 + HG2 LYS 32 OK 51 99 - 52 - 2525/1.8=10, 2505/3.0=9...(11) H GLU 75 - HG2 LYS 32 OK 28 90 - 31 - 2525/1.8=5, 2495/3.0=5...(12) H PHE 96 - HG2 LYS 32 OK 21 85 - 24 - 2525/1.8=5, 1250/3.8=3...(10) H SER 72 - HG2 LYS 32 OK 11 99 - 11 - 2525/1.8=2, 2495/3.0=2...(4) HE21 GLN 105 - HG2 LYS 32 lone 8 92 - 8 - 2525/1.8=2, 2505/3.0=1...(5) Peak 2516 from cnoeabs.peaks (4.42, 1.22, 23.65 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.8=100 HA SER 29 - HG2 LYS 32 OK 41 97 - 42 - 6572/3.0=14, 2526/1.8=8...(7) HA THR 121 - HG2 LYS 32 OK 31 95 - 32 - 8076=6, 2526/1.8=6...(10) HA SER 113 - HG2 LYS 32 OK 18 90 - 20 - 2526/1.8=4, 2506/3.0=3...(9) Peak 2517 from cnoeabs.peaks (1.79, 1.22, 23.65 ppm; 3.69 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.0=100 HG3 PRO 30 - HG2 LYS 32 OK 37 76 - 49 - 2507/3.0=6, 2527/1.8=5...(26) HB2 PRO 37 - HG2 LYS 32 OK 32 100 - 31 - 6677=6, 2527/1.8=4...(11) HB2 GLU 75 - HG2 LYS 32 OK 24 97 - 25 - 2527/1.8=3, 2507/3.0=2...(9) HB2 LEU 117 - HG2 LYS 32 OK 10 95 - 11 - 2527/1.8=2, ~8005=1 HG2 GLU 75 - HG2 LYS 32 OK 10 65 - 16 - 5.1/2515=2, ~2527=2...(5) HD3 LYS 109 - HG2 LYS 32 lone 7 81 - 9 - 2527/1.8=1 HD2 LYS 109 - HG2 LYS 32 lone 6 73 - 9 - 2527/1.8=1 HB3 GLU 56 - HG2 LYS 32 lone 6 99 - 6 - HG LEU 117 - HG2 LYS 32 lone 5 73 - 7 - 2527/1.8=1 HG2 GLN 42 - HG2 LYS 32 lone 5 65 - 7 - HB2 PRO 60 - HG2 LYS 32 lone 4 89 - 5 - HB3 ARG 57 - HG2 LYS 32 lone 2 68 - 4 - HB3 ARG 92 - HG2 LYS 32 lone 2 83 - 3 - Peak 2518 from cnoeabs.peaks (1.64, 1.22, 23.65 ppm; 3.23 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 + HG2 LYS 32 OK 60 60 - 100 - 2.9=100 HD3 LYS 32 + HG2 LYS 32 OK 60 60 - 100 - 2.9=100 HG2 PRO 30 - HG2 LYS 32 OK 23 68 - 34 - 1.8/2517=4, 6607/3.8=4...(14) HB ILE 34 - HG2 LYS 32 OK 18 99 - 18 - 2.1/6634=4, 3.2/6650=2...(7) HB3 LEU 41 - HG2 LYS 32 OK 11 89 - 13 - 3.1/8266=2, 3.0/6748=2...(5) HD2 LYS 31 - HG2 LYS 32 OK 11 87 - 13 - 2488/3.8=2, 904/5.0=1...(4) HD3 LYS 31 - HG2 LYS 32 OK 11 87 - 13 - 2488/3.8=2, 904/5.0=1...(4) HG LEU 101 - HG2 LYS 32 OK 10 83 - 13 - ~7706=2, ~7714=2...(5) HB3 GLN 42 - HG2 LYS 32 lone 6 100 - 6 - HG LEU 51 - HG2 LYS 32 lone 4 100 - 4 - HG LEU 27 - HG2 LYS 32 lone 4 95 - 4 - HG3 ARG 85 - HG2 LYS 32 lone 3 99 - 3 - HB2 LEU 59 - HG2 LYS 32 lone 2 92 - 2 - HG2 ARG 53 - HG2 LYS 32 lone 1 60 - 2 - Peak 2519 from cnoeabs.peaks (1.22, 1.22, 23.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 Peak 2520 from cnoeabs.peaks (1.26, 1.22, 23.65 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 1.8=100 QD1 ILE 80 - HG2 LYS 32 lone 10 99 - 10 - 2500/3.0=1, 2510/3.0=1 HG13 ILE 124 - HG2 LYS 32 poor 10 81 - 12 - 8117/3.8=1, 1.8/5360=1...(5) HG LEU 77 - HG2 LYS 32 poor 9 65 - 14 - 2.1/4022=2, 2.1/4029=1...(4) QG2 ILE 80 - HG2 LYS 32 lone 9 99 - 9 - 2500/3.0=1, 2510/3.0=1 QG2 THR 116 - HG2 LYS 32 lone 7 98 - 8 - 2500/3.0=1, 2510/3.0=1 QG2 THR 19 - HG2 LYS 32 lone 5 100 - 5 - HG LEU 54 - HG2 LYS 32 lone 3 78 - 3 - Peak 2521 from cnoeabs.peaks (1.61, 1.22, 23.65 ppm; 3.28 A): 3 out of 17 assignments used, quality = 1.00: * HD2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 HD3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 32 + HG2 LYS 32 OK 60 60 - 100 - 3.0=100 HG2 PRO 30 - HG2 LYS 32 OK 40 100 - 40 - 6607/3.8=6, 6605/3.8=5...(15) HD3 LYS 119 - HG2 LYS 32 OK 17 95 - 18 - 2539=2, 2531/1.8=2...(6) HD2 LYS 119 - HG2 LYS 32 OK 17 93 - 18 - 2549=2, 2532/1.8=2...(6) HG LEU 101 - HG2 LYS 32 OK 13 98 - 13 - ~7706=2, ~7714=2...(5) HD2 LYS 31 - HG2 LYS 32 OK 13 97 - 13 - 2492/3.8=2, 907/5.0=1...(4) HD3 LYS 31 - HG2 LYS 32 OK 13 97 - 13 - 2492/3.8=2, 908/5.0=1...(4) HB3 GLN 42 - HG2 LYS 32 lone 4 68 - 5 - HG2 ARG 53 - HG2 LYS 32 lone 3 100 - 3 - HG LEU 126 - HG2 LYS 32 lone 3 92 - 3 - HG12 ILE 63 - HG2 LYS 32 lone 2 99 - 2 - HB2 LEU 59 - HG2 LYS 32 lone 2 93 - 2 - HG LEU 51 - HG2 LYS 32 lone 2 73 - 3 - HB3 LEU 126 - HG2 LYS 32 lone 2 99 - 2 - HB2 LEU 126 - HG2 LYS 32 lone 2 99 - 2 - Peak 2522 from cnoeabs.peaks (1.61, 1.22, 23.65 ppm; 3.28 A): 3 out of 17 assignments used, quality = 1.00: HD2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 * HD3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 32 + HG2 LYS 32 OK 60 60 - 100 - 3.0=100 HG2 PRO 30 - HG2 LYS 32 OK 40 100 - 40 - 6607/3.8=6, 6605/3.8=5...(15) HD3 LYS 119 - HG2 LYS 32 OK 17 95 - 18 - 2539=2, 2531/1.8=2...(6) HD2 LYS 119 - HG2 LYS 32 OK 17 93 - 18 - 2549=2, 2532/1.8=2...(6) HG LEU 101 - HG2 LYS 32 OK 13 98 - 13 - ~7706=2, ~7714=2...(5) HD2 LYS 31 - HG2 LYS 32 OK 13 97 - 13 - 2492/3.8=2, 907/5.0=1...(4) HD3 LYS 31 - HG2 LYS 32 OK 13 97 - 13 - 2492/3.8=2, 908/5.0=1...(4) HB3 GLN 42 - HG2 LYS 32 lone 4 68 - 5 - HG2 ARG 53 - HG2 LYS 32 lone 3 100 - 3 - HG LEU 126 - HG2 LYS 32 lone 3 92 - 3 - HG12 ILE 63 - HG2 LYS 32 lone 2 99 - 2 - HB2 LEU 59 - HG2 LYS 32 lone 2 93 - 2 - HG LEU 51 - HG2 LYS 32 lone 2 73 - 3 - HB3 LEU 126 - HG2 LYS 32 lone 2 99 - 2 - HB2 LEU 126 - HG2 LYS 32 lone 2 99 - 2 - Peak 2523 from cnoeabs.peaks (2.92, 1.22, 23.65 ppm; 4.11 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.8=100 HE3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.8=100 HB3 PHE 96 - HG2 LYS 32 OK 18 99 - 18 - 2534/1.8=3, ~4711=3...(7) HB2 PHE 40 - HG2 LYS 32 OK 11 65 - 17 - 2.5/4668=5, 8756/3.0=2...(7) HB2 ASN 106 - HG2 LYS 32 lone 2 83 - 3 - HB2 ASP 100 - HG2 LYS 32 lone 2 63 - 4 - HG3 GLU 82 - HG2 LYS 32 lone 1 71 - 1 - Peak 2524 from cnoeabs.peaks (2.92, 1.22, 23.65 ppm; 4.11 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.8=100 HE2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.8=100 HB3 PHE 96 - HG2 LYS 32 OK 18 99 - 18 - 2534/1.8=3, ~4711=3...(7) HB2 PHE 40 - HG2 LYS 32 OK 11 63 - 17 - 2.5/4668=5, 8756/3.0=2...(7) HB2 ASN 106 - HG2 LYS 32 lone 2 81 - 3 - HB2 ASP 100 - HG2 LYS 32 lone 2 60 - 4 - HG3 GLU 82 - HG2 LYS 32 lone 1 73 - 1 - Peak 2525 from cnoeabs.peaks (7.41, 1.26, 23.65 ppm; 4.42 A): 2 out of 6 assignments used, quality = 0.96: * H LYS 32 + HG3 LYS 32 OK 92 100 - 92 - 5.0=69, 905/1.8=19...(15) HD21 ASN 79 + HG3 LYS 32 OK 50 99 - 51 - 2505/3.0=9, 2515/1.8=9...(12) H GLU 75 - HG3 LYS 32 OK 25 90 - 28 - 2515/1.8=5, 2495/3.0=5...(11) H PHE 96 - HG3 LYS 32 OK 23 85 - 27 - 2515/1.8=4, 1250/3.8=3...(11) H SER 72 - HG3 LYS 32 OK 10 99 - 10 - 2515/1.8=2, 2495/3.0=2...(4) HE21 GLN 105 - HG3 LYS 32 lone 8 92 - 8 - 2515/1.8=1, 2505/3.0=1...(4) Peak 2526 from cnoeabs.peaks (4.42, 1.26, 23.65 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.8=100 HA SER 29 - HG3 LYS 32 OK 42 97 - 44 - 6572/3.0=15, 2516/1.8=9...(8) HA THR 121 - HG3 LYS 32 OK 29 95 - 30 - 2516/1.8=7, 2496/3.0=5...(9) HA SER 113 - HG3 LYS 32 OK 18 90 - 20 - 2516/1.8=4, 2506/3.0=3...(8) Peak 2527 from cnoeabs.peaks (1.79, 1.26, 23.65 ppm; 3.75 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.0=100 HG3 PRO 30 - HG3 LYS 32 OK 38 76 - 50 - 2507/3.0=6, 2517/1.8=5...(26) HB2 PRO 37 - HG3 LYS 32 OK 26 100 - 26 - 6677/1.8=6, ~6672=3...(9) HB2 GLU 75 - HG3 LYS 32 OK 23 97 - 24 - 2517/1.8=4, 2507/3.0=2...(8) HB2 LEU 117 - HG3 LYS 32 OK 12 95 - 13 - 3.0/8005=2, 4.0/595=2 HG2 GLU 75 - HG3 LYS 32 OK 10 65 - 16 - ~2517=2, 5.1/2525=2...(7) HD3 LYS 109 - HG3 LYS 32 lone 8 81 - 10 - 2517/1.8=1 HD2 LYS 109 - HG3 LYS 32 lone 7 73 - 9 - HG LEU 117 - HG3 LYS 32 lone 7 73 - 9 - 3.6/8005=2, 4.8/595=1 HB3 GLU 56 - HG3 LYS 32 lone 6 99 - 5 - HG2 GLN 42 - HG3 LYS 32 lone 5 65 - 7 - HB2 PRO 60 - HG3 LYS 32 lone 3 89 - 4 - HB3 ARG 57 - HG3 LYS 32 lone 2 68 - 3 - HB3 ARG 92 - HG3 LYS 32 lone 2 83 - 3 - Peak 2528 from cnoeabs.peaks (1.64, 1.26, 23.65 ppm; 3.18 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 + HG3 LYS 32 OK 60 60 - 100 - 2.9=100 HD3 LYS 32 + HG3 LYS 32 OK 60 60 - 100 - 2.9=100 HG2 PRO 30 - HG3 LYS 32 OK 23 68 - 34 - 1.8/2527=4, 6607/3.8=4...(13) HB ILE 34 - HG3 LYS 32 OK 15 99 - 16 - ~6634=3, 131/5.0=2...(6) HG LEU 101 - HG3 LYS 32 OK 13 83 - 16 - 2.1/7714=3, 2.1/7706=3...(6) HD2 LYS 31 - HG3 LYS 32 OK 11 87 - 13 - 2488/3.8=2, 904/5.0=1...(4) HD3 LYS 31 - HG3 LYS 32 OK 11 87 - 13 - 2488/3.8=2, 904/5.0=1...(4) HB3 LEU 41 - HG3 LYS 32 lone 8 89 - 9 - 6749/1.8=1 HB3 GLN 42 - HG3 LYS 32 lone 5 100 - 5 - HG LEU 51 - HG3 LYS 32 lone 4 100 - 4 - HG LEU 27 - HG3 LYS 32 lone 3 95 - 3 - HG3 ARG 85 - HG3 LYS 32 lone 2 99 - 2 - HB2 LEU 59 - HG3 LYS 32 lone 2 92 - 2 - HG2 ARG 53 - HG3 LYS 32 lone 1 60 - 2 - Peak 2529 from cnoeabs.peaks (1.22, 1.26, 23.65 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 1.8=100 HG LEU 77 - HG3 LYS 32 OK 15 87 - 17 - 4013/1.8=2, 2509/3.0=1...(4) HB2 LEU 77 - HG3 LYS 32 OK 13 71 - 18 - 2509/3.0=1, 2499/3.0=1 HG13 ILE 124 - HG3 LYS 32 poor 9 73 - 12 - 1.8/5360=2, 8117/3.8=1 QG2 VAL 18 - HG3 LYS 32 lone 8 97 - 8 - 2509/3.0=1, 2499/3.0=1 HB3 LEU 24 - HG3 LYS 32 lone 8 100 - 8 - 2499/3.0=1, 2509/3.0=1 HB3 LEU 111 - HG3 LYS 32 lone 6 100 - 5 - Peak 2530 from cnoeabs.peaks (1.26, 1.26, 23.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 Peak 2531 from cnoeabs.peaks (1.61, 1.26, 23.65 ppm; 3.24 A): 3 out of 17 assignments used, quality = 1.00: * HD2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 HD3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 32 + HG3 LYS 32 OK 60 60 - 100 - 3.0=100 HG2 PRO 30 - HG3 LYS 32 OK 40 100 - 40 - 6607/3.8=6, 6605/3.8=4...(15) HD3 LYS 119 - HG3 LYS 32 OK 20 95 - 22 - 3.7/8457=2, 2540=2...(8) HD2 LYS 119 - HG3 LYS 32 OK 20 93 - 22 - 3.7/8457=2, 2540=2...(8) HG LEU 101 - HG3 LYS 32 OK 16 98 - 16 - 2.1/7714=3, 2.1/7706=3...(6) HD2 LYS 31 - HG3 LYS 32 OK 13 97 - 13 - 2491/3.8=2, 907/5.0=1...(4) HD3 LYS 31 - HG3 LYS 32 OK 13 97 - 13 - 2491/3.8=2, 907/5.0=1...(4) HB3 GLN 42 - HG3 LYS 32 lone 4 68 - 5 - HG2 ARG 53 - HG3 LYS 32 lone 3 100 - 3 - HG LEU 126 - HG3 LYS 32 lone 3 92 - 3 - HB2 LEU 59 - HG3 LYS 32 lone 2 93 - 3 - HG12 ILE 63 - HG3 LYS 32 lone 2 99 - 2 - HG LEU 51 - HG3 LYS 32 lone 2 73 - 3 - HB3 LEU 126 - HG3 LYS 32 lone 2 99 - 2 - HB2 LEU 126 - HG3 LYS 32 lone 2 99 - 2 - Peak 2532 from cnoeabs.peaks (1.61, 1.26, 23.65 ppm; 3.24 A): 3 out of 17 assignments used, quality = 1.00: HD2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 * HD3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 32 + HG3 LYS 32 OK 60 60 - 100 - 3.0=100 HG2 PRO 30 - HG3 LYS 32 OK 40 100 - 40 - 6607/3.8=6, 6605/3.8=4...(15) HD3 LYS 119 - HG3 LYS 32 OK 20 95 - 22 - 3.7/8457=2, 2540=2...(8) HD2 LYS 119 - HG3 LYS 32 OK 20 93 - 22 - 3.7/8457=2, 2540=2...(8) HG LEU 101 - HG3 LYS 32 OK 16 98 - 16 - 2.1/7714=3, 2.1/7706=3...(6) HD2 LYS 31 - HG3 LYS 32 OK 13 97 - 13 - 2491/3.8=2, 907/5.0=1...(4) HD3 LYS 31 - HG3 LYS 32 OK 13 97 - 13 - 2491/3.8=2, 907/5.0=1...(4) HB3 GLN 42 - HG3 LYS 32 lone 4 68 - 5 - HG2 ARG 53 - HG3 LYS 32 lone 3 100 - 3 - HG LEU 126 - HG3 LYS 32 lone 3 92 - 3 - HB2 LEU 59 - HG3 LYS 32 lone 2 93 - 3 - HG12 ILE 63 - HG3 LYS 32 lone 2 99 - 2 - HG LEU 51 - HG3 LYS 32 lone 2 73 - 3 - HB3 LEU 126 - HG3 LYS 32 lone 2 99 - 2 - HB2 LEU 126 - HG3 LYS 32 lone 2 99 - 2 - Peak 2533 from cnoeabs.peaks (2.92, 1.26, 23.65 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.8=100 HE3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.8=100 HB3 PHE 96 - HG3 LYS 32 OK 19 99 - 20 - 2.4/4711=4, 2524/1.8=3...(8) HB2 PHE 40 - HG3 LYS 32 OK 11 65 - 17 - ~4668=3, ~6744=3...(8) HB2 ASP 100 - HG3 LYS 32 lone 3 63 - 5 - 4.3/7729=2 HB2 ASN 106 - HG3 LYS 32 lone 2 83 - 3 - HG3 GLU 82 - HG3 LYS 32 lone 1 71 - 1 - Peak 2534 from cnoeabs.peaks (2.92, 1.26, 23.65 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.8=100 HE2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.8=100 HB3 PHE 96 - HG3 LYS 32 OK 20 99 - 20 - 2.4/4711=4, 2524/1.8=3...(8) HB2 PHE 40 - HG3 LYS 32 OK 11 63 - 17 - ~4668=3, ~6744=3...(8) HB2 ASP 100 - HG3 LYS 32 lone 3 60 - 5 - 4.3/7729=2 HB2 ASN 106 - HG3 LYS 32 lone 2 81 - 3 - HG3 GLU 82 - HG3 LYS 32 lone 1 73 - 1 - Peak 2535 from cnoeabs.peaks (7.41, 1.61, 28.93 ppm; 4.75 A): 4 out of 24 assignments used, quality = 1.00: H LYS 32 + HD3 LYS 32 OK 90 100 - 90 - 5.9=52, 2505/3.5=19...(20) * H LYS 32 + HD2 LYS 32 OK 90 100 - 90 - 5.9=52, 2505/3.5=19...(20) HD21 ASN 79 + HD3 LYS 32 OK 48 99 - 49 - 2505/3.5=9, 2525/2.9=9...(9) HD21 ASN 79 + HD2 LYS 32 OK 48 99 - 49 - 2505/3.5=9, 2525/2.9=9...(9) H LYS 32 - HD3 LYS 119 OK 31 95 - 33 - 121/3.7=4, 6610/3.7=4...(17) H LYS 32 - HD2 LYS 119 OK 31 93 - 33 - 121/3.7=4, 6610/3.7=4...(17) H GLU 75 - HD3 LYS 32 OK 22 90 - 24 - 2495/3.5=5, 2515/2.9=5...(7) H GLU 75 - HD2 LYS 32 OK 22 90 - 24 - 2495/3.5=5, 2515/2.9=5...(7) H PHE 96 - HD2 LYS 32 OK 21 85 - 25 - 1250/3.0=4, 1250/3.0=4...(8) H PHE 96 - HD3 LYS 32 OK 21 85 - 25 - 1250/3.0=4, 1250/3.0=4...(8) H SER 72 - HD2 LYS 32 OK 11 99 - 11 - 2495/3.5=2, 2525/2.9=2...(5) H SER 72 - HD3 LYS 32 OK 11 99 - 11 - 2495/3.5=2, 2525/2.9=2...(5) HE21 GLN 105 - HD3 LYS 32 lone 7 92 - 7 - 2525/2.9=1, 2515/2.9=1...(4) HE21 GLN 105 - HD2 LYS 32 lone 7 92 - 7 - 2525/2.9=1, 2515/2.9=1...(4) HD21 ASN 79 - HD3 LYS 119 lone 5 93 - 5 - HD21 ASN 79 - HD2 LYS 119 lone 5 92 - 5 - H GLU 75 - HD3 LYS 119 lone 4 81 - 5 - H GLU 75 - HD2 LYS 119 lone 4 80 - 5 - H SER 72 - HD3 LYS 119 lone 3 92 - 4 - H SER 72 - HD2 LYS 119 lone 3 91 - 4 - H PHE 96 - HD3 LYS 119 lone 2 76 - 3 - H PHE 96 - HD2 LYS 119 lone 2 74 - 3 - HE21 GLN 105 - HD3 LYS 119 lone 2 83 - 2 - HE21 GLN 105 - HD2 LYS 119 lone 2 82 - 2 - Peak 2536 from cnoeabs.peaks (4.42, 1.61, 28.93 ppm; 4.22 A): 2 out of 16 assignments used, quality = 0.99: HA LYS 32 + HD3 LYS 32 OK 92 100 - 92 - 5.0=59, 2490/2.9=15...(33) * HA LYS 32 + HD2 LYS 32 OK 92 100 - 92 - 5.0=59, 2490/2.9=15...(33) HA SER 29 - HD2 LYS 32 OK 44 97 - 46 - 6572/3.5=12, 8243=7...(13) HA SER 29 - HD3 LYS 32 OK 44 97 - 46 - 6572/3.5=12, 8243=7...(13) HA THR 121 - HD3 LYS 32 OK 25 95 - 26 - 3.0/8081=5, 2516/2.9=5...(8) HA THR 121 - HD2 LYS 32 OK 25 95 - 26 - 3.0/8081=5, 2516/2.9=5...(8) HA LYS 32 - HD3 LYS 119 OK 21 95 - 22 - 2492=2, 2.9/907=2...(13) HA LYS 32 - HD2 LYS 119 OK 21 93 - 22 - 2492=2, 2.9/907=2...(13) HA SER 113 - HD3 LYS 32 OK 13 90 - 15 - 2516/2.9=3, 2526/2.9=3...(5) HA SER 113 - HD2 LYS 32 OK 13 90 - 15 - 2516/2.9=3, 2526/2.9=3...(5) HA SER 29 - HD3 LYS 119 OK 13 89 - 14 - 8243=2, 8243/1.8=2...(6) HA SER 29 - HD2 LYS 119 OK 12 87 - 14 - 8243=2, 8243/1.8=2...(6) HA SER 113 - HD3 LYS 119 lone 5 81 - 6 - HA SER 113 - HD2 LYS 119 lone 5 80 - 6 - HA THR 121 - HD3 LYS 119 lone 3 86 - 4 - HA THR 121 - HD2 LYS 119 lone 3 85 - 4 - Peak 2537 from cnoeabs.peaks (1.79, 1.61, 28.93 ppm; 3.62 A): 2 out of 56 assignments used, quality = 1.00: * HB2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.5=100 HB2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.5=100 HG3 PRO 30 - HD2 LYS 32 OK 43 76 - 57 - ~6605=5, 2507/3.5=5...(37) HG3 PRO 30 - HD3 LYS 32 OK 43 76 - 57 - ~6605=5, 2507/3.5=5...(37) HB2 LYS 32 - HD3 LYS 119 OK 21 95 - 22 - 2501=2, 2502/1.8=2...(5) HB2 PRO 37 - HD2 LYS 32 OK 21 100 - 21 - 6677/2.9=4, 2527/2.9=3...(7) HB2 PRO 37 - HD3 LYS 32 OK 21 100 - 21 - 6677/2.9=4, 2527/2.9=3...(7) HB2 LYS 32 - HD2 LYS 119 OK 21 93 - 23 - 2502=2, 2502/1.8=2...(5) HB2 GLU 75 - HD3 LYS 32 OK 19 97 - 19 - 2517/2.9=3, 2527/2.9=3...(6) HB2 GLU 75 - HD2 LYS 32 OK 19 97 - 19 - 2517/2.9=3, 2527/2.9=3...(6) HG3 PRO 30 - HD3 LYS 119 OK 17 67 - 26 - 2.3/2370=2, 2.3/2356=1...(9) HG3 PRO 30 - HD2 LYS 119 OK 17 66 - 26 - 2.3/2370=2, 2.3/2356=1...(9) HB3 ARG 57 - HD3 LYS 119 OK 15 60 - 26 - 3.7/5240=2, ~3303=1...(11) HB3 ARG 57 - HD2 LYS 119 OK 15 59 - 26 - 3.7/5240=2, ~3303=1...(11) HB2 LEU 117 - HD3 LYS 32 lone 9 95 - 9 - 2527/2.9=1, 2517/2.9=1 HB2 LEU 117 - HD2 LYS 32 lone 9 95 - 9 - 2527/2.9=1, 2517/2.9=1 HD3 LYS 109 - HD2 LYS 32 poor 9 81 - 11 - HD3 LYS 109 - HD3 LYS 32 poor 9 81 - 11 - HG2 GLU 75 - HD3 LYS 32 poor 8 65 - 13 - 2517/2.9=1, 2527/2.9=1...(4) HG2 GLU 75 - HD2 LYS 32 poor 8 65 - 13 - 2517/2.9=1, 2527/2.9=1...(4) HD2 LYS 109 - HD3 LYS 32 poor 8 73 - 11 - HD2 LYS 109 - HD2 LYS 32 poor 8 73 - 11 - HD3 LYS 109 - HD3 LYS 119 lone 7 72 - 10 - HD3 LYS 109 - HD2 LYS 119 lone 7 70 - 10 - HD2 LYS 109 - HD3 LYS 119 lone 6 65 - 10 - HD2 LYS 109 - HD2 LYS 119 lone 6 63 - 10 - HB3 GLU 56 - HD3 LYS 119 lone 6 93 - 6 - 4.6/5240=1, 3.7/7021=1 HB3 GLU 56 - HD2 LYS 119 lone 6 92 - 6 - 4.6/5240=1, 3.7/7021=1 HB3 GLU 56 - HD2 LYS 32 lone 6 99 - 5 - HB3 GLU 56 - HD3 LYS 32 lone 6 99 - 5 - HG LEU 117 - HD2 LYS 32 lone 5 73 - 7 - HG LEU 117 - HD3 LYS 32 lone 5 73 - 7 - HG2 GLN 42 - HD2 LYS 32 lone 5 65 - 7 - HG2 GLN 42 - HD3 LYS 32 lone 5 65 - 7 - HB2 PRO 37 - HD3 LYS 119 lone 4 95 - 4 - HB2 PRO 37 - HD2 LYS 119 lone 4 93 - 4 - HB2 LEU 117 - HD3 LYS 119 lone 3 86 - 4 - 4.0/5920=2 HB2 LEU 117 - HD2 LYS 119 lone 3 85 - 4 - 4.0/5920=2 HB2 GLU 75 - HD3 LYS 119 lone 3 89 - 3 - HB2 GLU 75 - HD2 LYS 119 lone 3 87 - 3 - HB2 PRO 60 - HD3 LYS 32 lone 3 89 - 3 - HB2 PRO 60 - HD2 LYS 32 lone 3 89 - 3 - HG LEU 117 - HD3 LYS 119 lone 2 65 - 4 - 4.8/5920=1 HG LEU 117 - HD2 LYS 119 lone 2 63 - 4 - 4.8/5920=1 HB3 ARG 92 - HD2 LYS 32 lone 2 83 - 2 - HB3 ARG 92 - HD3 LYS 32 lone 2 83 - 2 - HB3 ARG 57 - HD3 LYS 32 lone 2 68 - 3 - HB3 ARG 57 - HD2 LYS 32 lone 2 68 - 3 - HB3 ARG 92 - HD3 LYS 119 lone 2 74 - 2 - HB3 ARG 92 - HD2 LYS 119 lone 2 72 - 2 - HG2 GLU 75 - HD3 LYS 119 lone 1 57 - 2 - HB2 PRO 60 - HD3 LYS 119 lone 1 80 - 1 - HG2 GLU 75 - HD2 LYS 119 lone 1 56 - 2 - HB2 PRO 60 - HD2 LYS 119 lone 1 78 - 1 - HG2 GLN 42 - HD3 LYS 119 lone 1 57 - 1 - HG2 GLN 42 - HD2 LYS 119 lone 1 56 - 1 - Peak 2538 from cnoeabs.peaks (1.64, 1.61, 28.93 ppm; diagonal): 2 out of 2 assignments used, quality = 0.84: HD3 LYS 32 + HD3 LYS 32 OK 60 60 - 100 HD2 LYS 32 + HD2 LYS 32 OK 60 60 - 100 Reference assignment not found: HB3 LYS 32 - HD2 LYS 32 Peak 2539 from cnoeabs.peaks (1.22, 1.61, 28.93 ppm; 3.14 A): 2 out of 28 assignments used, quality = 1.00: * HG2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 2.9=100 HG2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 2.9=100 HG LEU 77 - HD3 LYS 32 OK 19 87 - 21 - 2529/2.9=3, 4013/2.9=3...(8) HG LEU 77 - HD2 LYS 32 OK 19 87 - 21 - 2529/2.9=3, 4013/2.9=3...(8) HB2 LEU 77 - HD3 LYS 32 OK 17 71 - 25 - 2529/2.9=3, 2499/3.5=2...(7) HB2 LEU 77 - HD2 LYS 32 OK 17 71 - 25 - 2529/2.9=3, 2499/3.5=2...(7) HG2 LYS 32 - HD3 LYS 119 OK 16 95 - 17 - 2522=2, 1.8/2531=2...(6) HG2 LYS 32 - HD2 LYS 119 OK 16 93 - 17 - 2521=2, 1.8/2532=2...(6) QG2 VAL 18 - HD2 LYS 32 OK 12 97 - 12 - 2509/3.5=2, 2499/3.5=2 QG2 VAL 18 - HD3 LYS 32 OK 12 97 - 12 - 2509/3.5=2, 2499/3.5=2 HB3 LEU 24 - HD3 LYS 32 OK 11 100 - 11 - 2499/3.5=2, 2529/2.9=2 HB3 LEU 24 - HD2 LYS 32 OK 11 100 - 11 - 2499/3.5=2, 2529/2.9=2 HG13 ILE 124 - HD3 LYS 32 poor 8 73 - 11 - 8117/5.0=2, 2529/2.9=2...(4) HG13 ILE 124 - HD2 LYS 32 poor 8 73 - 11 - 8117/5.0=2, 2529/2.9=2...(4) HB3 LEU 111 - HD2 LYS 32 lone 8 100 - 8 - 2529/2.9=1, 2499/3.5=1 HB3 LEU 111 - HD3 LYS 32 lone 8 100 - 8 - 2529/2.9=1, 2499/3.5=1 HB3 LEU 24 - HD3 LYS 119 lone 5 94 - 5 - HB3 LEU 24 - HD2 LYS 119 lone 5 93 - 5 - HB3 LEU 111 - HD3 LYS 119 lone 3 94 - 3 - HB3 LEU 111 - HD2 LYS 119 lone 3 93 - 3 - QG2 VAL 18 - HD3 LYS 119 lone 3 90 - 3 - QG2 VAL 18 - HD2 LYS 119 lone 3 88 - 3 - HB2 LEU 77 - HD3 LYS 119 lone 2 62 - 3 - HB2 LEU 77 - HD2 LYS 119 lone 2 61 - 3 - HG LEU 77 - HD3 LYS 119 lone 1 78 - 2 - HG LEU 77 - HD2 LYS 119 lone 1 76 - 2 - HG13 ILE 124 - HD3 LYS 119 lone 0 65 - 1 - HG13 ILE 124 - HD2 LYS 119 lone 0 63 - 1 - Peak 2540 from cnoeabs.peaks (1.26, 1.61, 28.93 ppm; 2.99 A): 2 out of 32 assignments used, quality = 1.00: * HG3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 2.9=100 HG3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 2.9=100 QG2 THR 116 - HD3 LYS 119 OK 31 91 - 34 - 8457/3.7=4, 8170/3.0=4...(11) QG2 THR 116 - HD2 LYS 119 OK 30 89 - 34 - 8457/3.7=4, 8170/3.0=4...(11) HG3 LYS 32 - HD3 LYS 119 OK 18 95 - 19 - 2532=2, 8457/3.7=2...(7) HG3 LYS 32 - HD2 LYS 119 OK 18 93 - 19 - 2531=2, 8457/3.7=2...(7) QD1 ILE 80 - HD3 LYS 32 OK 17 99 - 17 - 7417=2, 2520/2.9=2...(5) QD1 ILE 80 - HD2 LYS 32 OK 17 99 - 17 - 7417=2, 2520/2.9=2...(5) QG2 ILE 80 - HD2 LYS 32 OK 15 99 - 15 - 2520/2.9=2, 2510/3.5=2...(4) QG2 ILE 80 - HD3 LYS 32 OK 15 99 - 15 - 2520/2.9=2, 2510/3.5=2...(4) QG2 ILE 80 - HD3 LYS 119 OK 14 92 - 15 - 8457/3.7=2, 8456/3.7=2...(6) QG2 ILE 80 - HD2 LYS 119 OK 14 91 - 15 - 8457/3.7=2, 8456/3.7=2...(6) QD1 ILE 80 - HD3 LYS 119 OK 14 91 - 15 - 8457/3.7=2, 7417=2...(7) QD1 ILE 80 - HD2 LYS 119 OK 13 90 - 15 - 8457/3.7=2, 7417=2...(7) QG2 THR 116 - HD3 LYS 32 OK 13 98 - 13 - 2500/3.5=2, 2510/3.5=2...(5) QG2 THR 116 - HD2 LYS 32 OK 13 98 - 13 - 2500/3.5=2, 2510/3.5=2...(5) HG LEU 77 - HD3 LYS 32 OK 10 65 - 16 - 4013/2.9=2, 2500/3.5=1...(4) HG LEU 77 - HD2 LYS 32 OK 10 65 - 16 - 4013/2.9=2, 2500/3.5=1...(4) HG13 ILE 124 - HD2 LYS 32 poor 9 81 - 11 - 2520/2.9=2, 8117/5.0=2...(4) HG13 ILE 124 - HD3 LYS 32 poor 9 81 - 11 - 2520/2.9=2, 8117/5.0=2...(4) QG2 THR 19 - HD3 LYS 119 lone 8 94 - 8 - 6376/3.7=2 QG2 THR 19 - HD2 LYS 119 lone 7 93 - 8 - 6376/3.7=2 QG2 THR 19 - HD3 LYS 32 lone 7 100 - 7 - QG2 THR 19 - HD2 LYS 32 lone 7 100 - 7 - HG LEU 54 - HD3 LYS 32 lone 4 78 - 4 - HG LEU 54 - HD2 LYS 32 lone 4 78 - 4 - HG LEU 54 - HD3 LYS 119 lone 1 69 - 2 - HG LEU 54 - HD2 LYS 119 lone 1 68 - 2 - HG LEU 77 - HD3 LYS 119 lone 1 57 - 2 - HG LEU 77 - HD2 LYS 119 lone 1 56 - 2 - HG13 ILE 124 - HD3 LYS 119 lone 1 72 - 1 - HG13 ILE 124 - HD2 LYS 119 lone 1 70 - 1 - Peak 2541 from cnoeabs.peaks (1.61, 1.61, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 * HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 119 + HD3 LYS 119 OK 86 86 - 100 HD2 LYS 119 + HD2 LYS 119 OK 83 83 - 100 Peak 2542 from cnoeabs.peaks (1.61, 1.61, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 119 + HD3 LYS 119 OK 86 86 - 100 HD2 LYS 119 + HD2 LYS 119 OK 83 83 - 100 Reference assignment not found: HD3 LYS 32 - HD2 LYS 32 Peak 2543 from cnoeabs.peaks (2.92, 1.61, 28.93 ppm; 2.98 A): 4 out of 28 assignments used, quality = 1.00: HE2 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 * HE2 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 HE3 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 HE3 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 HB3 PHE 96 - HD2 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HB3 PHE 96 - HD3 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HE2 LYS 32 - HD3 LYS 119 lone 8 95 - 8 - HE3 LYS 32 - HD3 LYS 119 lone 8 94 - 8 - HE2 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HE3 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HB2 PHE 40 - HD3 LYS 32 lone 5 65 - 8 - ~4668=1, ~6744=1 HB2 PHE 40 - HD2 LYS 32 lone 5 65 - 8 - ~4668=1, ~6744=1 HB2 ASN 106 - HD2 LYS 32 lone 1 83 - 1 - HB2 ASN 106 - HD3 LYS 32 lone 1 83 - 1 - HB2 ASP 100 - HD2 LYS 32 lone 1 63 - 2 - HB2 ASP 100 - HD3 LYS 32 lone 1 63 - 2 - HB3 PHE 96 - HD3 LYS 119 lone 1 91 - 1 - HB3 PHE 96 - HD2 LYS 119 lone 1 90 - 1 - HB2 ASN 106 - HD3 LYS 119 lone 1 74 - 1 - HB2 ASN 106 - HD2 LYS 119 lone 1 72 - 1 - HG3 GLU 82 - HD2 LYS 32 lone 1 71 - 1 - HG3 GLU 82 - HD3 LYS 32 lone 1 71 - 1 - HG3 GLU 82 - HD3 LYS 119 lone 0 62 - 1 - HG3 GLU 82 - HD2 LYS 119 lone 0 61 - 1 - HB2 ASP 100 - HD3 LYS 119 lone 0 55 - 1 - HB2 ASP 100 - HD2 LYS 119 lone 0 54 - 1 - HB2 PHE 40 - HD3 LYS 119 lone 0 57 - 0 - HB2 PHE 40 - HD2 LYS 119 lone 0 56 - 0 - Peak 2544 from cnoeabs.peaks (2.92, 1.61, 28.93 ppm; 2.98 A): 4 out of 28 assignments used, quality = 1.00: * HE3 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 HE3 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 HE2 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 HE2 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 HB3 PHE 96 - HD3 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HB3 PHE 96 - HD2 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HE3 LYS 32 - HD3 LYS 119 lone 8 95 - 8 - HE2 LYS 32 - HD3 LYS 119 lone 8 94 - 8 - HE3 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HE2 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HB2 PHE 40 - HD2 LYS 32 lone 5 63 - 8 - ~4668=1, ~6744=1 HB2 PHE 40 - HD3 LYS 32 lone 5 63 - 8 - ~4668=1, ~6744=1 HB2 ASN 106 - HD2 LYS 32 lone 1 81 - 1 - HB2 ASN 106 - HD3 LYS 32 lone 1 81 - 1 - HB3 PHE 96 - HD3 LYS 119 lone 1 92 - 1 - HB3 PHE 96 - HD2 LYS 119 lone 1 91 - 1 - HB2 ASP 100 - HD3 LYS 32 lone 1 60 - 2 - HB2 ASP 100 - HD2 LYS 32 lone 1 60 - 2 - HB2 ASN 106 - HD3 LYS 119 lone 1 72 - 1 - HB2 ASN 106 - HD2 LYS 119 lone 1 70 - 1 - HG3 GLU 82 - HD2 LYS 32 lone 1 73 - 1 - HG3 GLU 82 - HD3 LYS 32 lone 1 73 - 1 - HG3 GLU 82 - HD3 LYS 119 lone 0 65 - 1 - HG3 GLU 82 - HD2 LYS 119 lone 0 63 - 1 - HB2 ASP 100 - HD3 LYS 119 lone 0 52 - 1 - HB2 ASP 100 - HD2 LYS 119 lone 0 51 - 1 - HB2 PHE 40 - HD3 LYS 119 lone 0 55 - 0 - HB2 PHE 40 - HD2 LYS 119 lone 0 54 - 0 - Peak 2545 from cnoeabs.peaks (7.41, 1.61, 28.93 ppm; 4.75 A): 4 out of 24 assignments used, quality = 1.00: * H LYS 32 + HD3 LYS 32 OK 90 100 - 90 - 5.9=52, 2505/3.5=19...(20) H LYS 32 + HD2 LYS 32 OK 90 100 - 90 - 5.9=52, 2505/3.5=19...(20) HD21 ASN 79 + HD3 LYS 32 OK 48 99 - 49 - 2505/3.5=9, 2525/2.9=9...(9) HD21 ASN 79 + HD2 LYS 32 OK 48 99 - 49 - 2505/3.5=9, 2525/2.9=9...(9) H LYS 32 - HD3 LYS 119 OK 31 95 - 33 - 121/3.7=4, 6610/3.7=4...(17) H LYS 32 - HD2 LYS 119 OK 31 93 - 33 - 121/3.7=4, 6610/3.7=4...(17) H GLU 75 - HD3 LYS 32 OK 22 90 - 24 - 2495/3.5=5, 2515/2.9=5...(7) H GLU 75 - HD2 LYS 32 OK 22 90 - 24 - 2495/3.5=5, 2515/2.9=5...(7) H PHE 96 - HD2 LYS 32 OK 21 85 - 25 - 1250/3.0=4, 1250/3.0=4...(8) H PHE 96 - HD3 LYS 32 OK 21 85 - 25 - 1250/3.0=4, 1250/3.0=4...(8) H SER 72 - HD2 LYS 32 OK 11 99 - 11 - 2495/3.5=2, 2525/2.9=2...(5) H SER 72 - HD3 LYS 32 OK 11 99 - 11 - 2495/3.5=2, 2525/2.9=2...(5) HE21 GLN 105 - HD3 LYS 32 lone 7 92 - 7 - 2525/2.9=1, 2515/2.9=1...(4) HE21 GLN 105 - HD2 LYS 32 lone 7 92 - 7 - 2525/2.9=1, 2515/2.9=1...(4) HD21 ASN 79 - HD3 LYS 119 lone 5 93 - 5 - HD21 ASN 79 - HD2 LYS 119 lone 5 92 - 5 - H GLU 75 - HD3 LYS 119 lone 4 81 - 5 - H GLU 75 - HD2 LYS 119 lone 4 80 - 5 - H SER 72 - HD3 LYS 119 lone 3 92 - 4 - H SER 72 - HD2 LYS 119 lone 3 91 - 4 - H PHE 96 - HD3 LYS 119 lone 2 76 - 3 - H PHE 96 - HD2 LYS 119 lone 2 74 - 3 - HE21 GLN 105 - HD3 LYS 119 lone 2 83 - 2 - HE21 GLN 105 - HD2 LYS 119 lone 2 82 - 2 - Peak 2546 from cnoeabs.peaks (4.42, 1.61, 28.93 ppm; 4.22 A): 2 out of 16 assignments used, quality = 0.99: * HA LYS 32 + HD3 LYS 32 OK 92 100 - 92 - 5.0=59, 2490/2.9=15...(33) HA LYS 32 + HD2 LYS 32 OK 92 100 - 92 - 5.0=59, 2490/2.9=15...(33) HA SER 29 - HD2 LYS 32 OK 44 97 - 46 - 6572/3.5=12, 8243=7...(13) HA SER 29 - HD3 LYS 32 OK 44 97 - 46 - 6572/3.5=12, 8243=7...(13) HA THR 121 - HD3 LYS 32 OK 25 95 - 26 - 3.0/8081=5, 2516/2.9=5...(8) HA THR 121 - HD2 LYS 32 OK 25 95 - 26 - 3.0/8081=5, 2516/2.9=5...(8) HA LYS 32 - HD3 LYS 119 OK 21 95 - 22 - 2492=2, 2.9/907=2...(13) HA LYS 32 - HD2 LYS 119 OK 21 93 - 22 - 2492=2, 2.9/907=2...(13) HA SER 113 - HD3 LYS 32 OK 13 90 - 15 - 2516/2.9=3, 2526/2.9=3...(5) HA SER 113 - HD2 LYS 32 OK 13 90 - 15 - 2516/2.9=3, 2526/2.9=3...(5) HA SER 29 - HD3 LYS 119 OK 13 89 - 14 - 8243=2, 8243/1.8=2...(6) HA SER 29 - HD2 LYS 119 OK 12 87 - 14 - 8243=2, 8243/1.8=2...(6) HA SER 113 - HD3 LYS 119 lone 5 81 - 6 - HA SER 113 - HD2 LYS 119 lone 5 80 - 6 - HA THR 121 - HD3 LYS 119 lone 3 86 - 4 - HA THR 121 - HD2 LYS 119 lone 3 85 - 4 - Peak 2547 from cnoeabs.peaks (1.79, 1.61, 28.93 ppm; 3.62 A): 2 out of 56 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.5=100 * HB2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.5=100 HG3 PRO 30 - HD2 LYS 32 OK 43 76 - 57 - ~6605=5, 2507/3.5=5...(37) HG3 PRO 30 - HD3 LYS 32 OK 43 76 - 57 - ~6605=5, 2507/3.5=5...(37) HB2 LYS 32 - HD3 LYS 119 OK 21 95 - 22 - 2501=2, 2502/1.8=2...(5) HB2 PRO 37 - HD2 LYS 32 OK 21 100 - 21 - 6677/2.9=4, 2527/2.9=3...(7) HB2 PRO 37 - HD3 LYS 32 OK 21 100 - 21 - 6677/2.9=4, 2527/2.9=3...(7) HB2 LYS 32 - HD2 LYS 119 OK 21 93 - 23 - 2502=2, 2502/1.8=2...(5) HB2 GLU 75 - HD3 LYS 32 OK 19 97 - 19 - 2517/2.9=3, 2527/2.9=3...(6) HB2 GLU 75 - HD2 LYS 32 OK 19 97 - 19 - 2517/2.9=3, 2527/2.9=3...(6) HG3 PRO 30 - HD3 LYS 119 OK 17 67 - 26 - 2.3/2370=2, 2.3/2356=1...(9) HG3 PRO 30 - HD2 LYS 119 OK 17 66 - 26 - 2.3/2370=2, 2.3/2356=1...(9) HB3 ARG 57 - HD3 LYS 119 OK 15 60 - 26 - 3.7/5240=2, ~3303=1...(11) HB3 ARG 57 - HD2 LYS 119 OK 15 59 - 26 - 3.7/5240=2, ~3303=1...(11) HB2 LEU 117 - HD3 LYS 32 lone 9 95 - 9 - 2527/2.9=1, 2517/2.9=1 HB2 LEU 117 - HD2 LYS 32 lone 9 95 - 9 - 2527/2.9=1, 2517/2.9=1 HD3 LYS 109 - HD2 LYS 32 poor 9 81 - 11 - HD3 LYS 109 - HD3 LYS 32 poor 9 81 - 11 - HG2 GLU 75 - HD3 LYS 32 poor 8 65 - 13 - 2517/2.9=1, 2527/2.9=1...(4) HG2 GLU 75 - HD2 LYS 32 poor 8 65 - 13 - 2517/2.9=1, 2527/2.9=1...(4) HD2 LYS 109 - HD3 LYS 32 poor 8 73 - 11 - HD2 LYS 109 - HD2 LYS 32 poor 8 73 - 11 - HD3 LYS 109 - HD3 LYS 119 lone 7 72 - 10 - HD3 LYS 109 - HD2 LYS 119 lone 7 70 - 10 - HD2 LYS 109 - HD3 LYS 119 lone 6 65 - 10 - HD2 LYS 109 - HD2 LYS 119 lone 6 63 - 10 - HB3 GLU 56 - HD3 LYS 119 lone 6 93 - 6 - 4.6/5240=1, 3.7/7021=1 HB3 GLU 56 - HD2 LYS 119 lone 6 92 - 6 - 4.6/5240=1, 3.7/7021=1 HB3 GLU 56 - HD2 LYS 32 lone 6 99 - 5 - HB3 GLU 56 - HD3 LYS 32 lone 6 99 - 5 - HG LEU 117 - HD2 LYS 32 lone 5 73 - 7 - HG LEU 117 - HD3 LYS 32 lone 5 73 - 7 - HG2 GLN 42 - HD2 LYS 32 lone 5 65 - 7 - HG2 GLN 42 - HD3 LYS 32 lone 5 65 - 7 - HB2 PRO 37 - HD3 LYS 119 lone 4 95 - 4 - HB2 PRO 37 - HD2 LYS 119 lone 4 93 - 4 - HB2 LEU 117 - HD3 LYS 119 lone 3 86 - 4 - 4.0/5920=2 HB2 LEU 117 - HD2 LYS 119 lone 3 85 - 4 - 4.0/5920=2 HB2 GLU 75 - HD3 LYS 119 lone 3 89 - 3 - HB2 GLU 75 - HD2 LYS 119 lone 3 87 - 3 - HB2 PRO 60 - HD3 LYS 32 lone 3 89 - 3 - HB2 PRO 60 - HD2 LYS 32 lone 3 89 - 3 - HG LEU 117 - HD3 LYS 119 lone 2 65 - 4 - 4.8/5920=1 HG LEU 117 - HD2 LYS 119 lone 2 63 - 4 - 4.8/5920=1 HB3 ARG 92 - HD2 LYS 32 lone 2 83 - 2 - HB3 ARG 92 - HD3 LYS 32 lone 2 83 - 2 - HB3 ARG 57 - HD3 LYS 32 lone 2 68 - 3 - HB3 ARG 57 - HD2 LYS 32 lone 2 68 - 3 - HB3 ARG 92 - HD3 LYS 119 lone 2 74 - 2 - HB3 ARG 92 - HD2 LYS 119 lone 2 72 - 2 - HG2 GLU 75 - HD3 LYS 119 lone 1 57 - 2 - HB2 PRO 60 - HD3 LYS 119 lone 1 80 - 1 - HG2 GLU 75 - HD2 LYS 119 lone 1 56 - 2 - HB2 PRO 60 - HD2 LYS 119 lone 1 78 - 1 - HG2 GLN 42 - HD3 LYS 119 lone 1 57 - 1 - HG2 GLN 42 - HD2 LYS 119 lone 1 56 - 1 - Peak 2548 from cnoeabs.peaks (1.64, 1.61, 28.93 ppm; diagonal): 2 out of 2 assignments used, quality = 0.84: HD3 LYS 32 + HD3 LYS 32 OK 60 60 - 100 HD2 LYS 32 + HD2 LYS 32 OK 60 60 - 100 Reference assignment not found: HB3 LYS 32 - HD3 LYS 32 Peak 2549 from cnoeabs.peaks (1.22, 1.61, 28.93 ppm; 3.14 A): 2 out of 28 assignments used, quality = 1.00: HG2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 2.9=100 * HG2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 2.9=100 HG LEU 77 - HD3 LYS 32 OK 19 87 - 21 - 2529/2.9=3, 4013/2.9=3...(8) HG LEU 77 - HD2 LYS 32 OK 19 87 - 21 - 2529/2.9=3, 4013/2.9=3...(8) HB2 LEU 77 - HD3 LYS 32 OK 17 71 - 25 - 2529/2.9=3, 2499/3.5=2...(7) HB2 LEU 77 - HD2 LYS 32 OK 17 71 - 25 - 2529/2.9=3, 2499/3.5=2...(7) HG2 LYS 32 - HD3 LYS 119 OK 16 95 - 17 - 2522=2, 1.8/2531=2...(6) HG2 LYS 32 - HD2 LYS 119 OK 16 93 - 17 - 2521=2, 1.8/2532=2...(6) QG2 VAL 18 - HD2 LYS 32 OK 12 97 - 12 - 2509/3.5=2, 2499/3.5=2 QG2 VAL 18 - HD3 LYS 32 OK 12 97 - 12 - 2509/3.5=2, 2499/3.5=2 HB3 LEU 24 - HD3 LYS 32 OK 11 100 - 11 - 2499/3.5=2, 2529/2.9=2 HB3 LEU 24 - HD2 LYS 32 OK 11 100 - 11 - 2499/3.5=2, 2529/2.9=2 HG13 ILE 124 - HD3 LYS 32 poor 8 73 - 11 - 8117/5.0=2, 2529/2.9=2...(4) HG13 ILE 124 - HD2 LYS 32 poor 8 73 - 11 - 8117/5.0=2, 2529/2.9=2...(4) HB3 LEU 111 - HD2 LYS 32 lone 8 100 - 8 - 2529/2.9=1, 2499/3.5=1 HB3 LEU 111 - HD3 LYS 32 lone 8 100 - 8 - 2529/2.9=1, 2499/3.5=1 HB3 LEU 24 - HD3 LYS 119 lone 5 94 - 5 - HB3 LEU 24 - HD2 LYS 119 lone 5 93 - 5 - HB3 LEU 111 - HD3 LYS 119 lone 3 94 - 3 - HB3 LEU 111 - HD2 LYS 119 lone 3 93 - 3 - QG2 VAL 18 - HD3 LYS 119 lone 3 90 - 3 - QG2 VAL 18 - HD2 LYS 119 lone 3 88 - 3 - HB2 LEU 77 - HD3 LYS 119 lone 2 62 - 3 - HB2 LEU 77 - HD2 LYS 119 lone 2 61 - 3 - HG LEU 77 - HD3 LYS 119 lone 1 78 - 2 - HG LEU 77 - HD2 LYS 119 lone 1 76 - 2 - HG13 ILE 124 - HD3 LYS 119 lone 0 65 - 1 - HG13 ILE 124 - HD2 LYS 119 lone 0 63 - 1 - Peak 2550 from cnoeabs.peaks (1.26, 1.61, 28.93 ppm; 2.99 A): 2 out of 32 assignments used, quality = 1.00: HG3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 2.9=100 * HG3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 2.9=100 QG2 THR 116 - HD3 LYS 119 OK 31 91 - 34 - 8457/3.7=4, 8170/3.0=4...(11) QG2 THR 116 - HD2 LYS 119 OK 30 89 - 34 - 8457/3.7=4, 8170/3.0=4...(11) HG3 LYS 32 - HD3 LYS 119 OK 18 95 - 19 - 2532=2, 8457/3.7=2...(7) HG3 LYS 32 - HD2 LYS 119 OK 18 93 - 19 - 2531=2, 8457/3.7=2...(7) QD1 ILE 80 - HD3 LYS 32 OK 17 99 - 17 - 7417=2, 2520/2.9=2...(5) QD1 ILE 80 - HD2 LYS 32 OK 17 99 - 17 - 7417=2, 2520/2.9=2...(5) QG2 ILE 80 - HD2 LYS 32 OK 15 99 - 15 - 2520/2.9=2, 2510/3.5=2...(4) QG2 ILE 80 - HD3 LYS 32 OK 15 99 - 15 - 2520/2.9=2, 2510/3.5=2...(4) QG2 ILE 80 - HD3 LYS 119 OK 14 92 - 15 - 8457/3.7=2, 8456/3.7=2...(6) QG2 ILE 80 - HD2 LYS 119 OK 14 91 - 15 - 8457/3.7=2, 8456/3.7=2...(6) QD1 ILE 80 - HD3 LYS 119 OK 14 91 - 15 - 8457/3.7=2, 7417=2...(7) QD1 ILE 80 - HD2 LYS 119 OK 13 90 - 15 - 8457/3.7=2, 7417=2...(7) QG2 THR 116 - HD3 LYS 32 OK 13 98 - 13 - 2500/3.5=2, 2510/3.5=2...(5) QG2 THR 116 - HD2 LYS 32 OK 13 98 - 13 - 2500/3.5=2, 2510/3.5=2...(5) HG LEU 77 - HD3 LYS 32 OK 10 65 - 16 - 4013/2.9=2, 2500/3.5=1...(4) HG LEU 77 - HD2 LYS 32 OK 10 65 - 16 - 4013/2.9=2, 2500/3.5=1...(4) HG13 ILE 124 - HD2 LYS 32 poor 9 81 - 11 - 2520/2.9=2, 8117/5.0=2...(4) HG13 ILE 124 - HD3 LYS 32 poor 9 81 - 11 - 2520/2.9=2, 8117/5.0=2...(4) QG2 THR 19 - HD3 LYS 119 lone 8 94 - 8 - 6376/3.7=2 QG2 THR 19 - HD2 LYS 119 lone 7 93 - 8 - 6376/3.7=2 QG2 THR 19 - HD3 LYS 32 lone 7 100 - 7 - QG2 THR 19 - HD2 LYS 32 lone 7 100 - 7 - HG LEU 54 - HD3 LYS 32 lone 4 78 - 4 - HG LEU 54 - HD2 LYS 32 lone 4 78 - 4 - HG LEU 54 - HD3 LYS 119 lone 1 69 - 2 - HG LEU 54 - HD2 LYS 119 lone 1 68 - 2 - HG LEU 77 - HD3 LYS 119 lone 1 57 - 2 - HG LEU 77 - HD2 LYS 119 lone 1 56 - 2 - HG13 ILE 124 - HD3 LYS 119 lone 1 72 - 1 - HG13 ILE 124 - HD2 LYS 119 lone 1 70 - 1 - Peak 2551 from cnoeabs.peaks (1.61, 1.61, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 119 + HD3 LYS 119 OK 86 86 - 100 HD2 LYS 119 + HD2 LYS 119 OK 83 83 - 100 Reference assignment not found: HD2 LYS 32 - HD3 LYS 32 Peak 2552 from cnoeabs.peaks (1.61, 1.61, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 119 + HD3 LYS 119 OK 86 86 - 100 HD2 LYS 119 + HD2 LYS 119 OK 83 83 - 100 Peak 2553 from cnoeabs.peaks (2.92, 1.61, 28.93 ppm; 2.98 A): 4 out of 28 assignments used, quality = 1.00: * HE2 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 HE2 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 HE3 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 HE3 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 HB3 PHE 96 - HD2 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HB3 PHE 96 - HD3 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HE2 LYS 32 - HD3 LYS 119 lone 8 95 - 8 - HE3 LYS 32 - HD3 LYS 119 lone 8 94 - 8 - HE2 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HE3 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HB2 PHE 40 - HD3 LYS 32 lone 5 65 - 8 - ~4668=1, ~6744=1 HB2 PHE 40 - HD2 LYS 32 lone 5 65 - 8 - ~4668=1, ~6744=1 HB2 ASN 106 - HD2 LYS 32 lone 1 83 - 1 - HB2 ASN 106 - HD3 LYS 32 lone 1 83 - 1 - HB2 ASP 100 - HD2 LYS 32 lone 1 63 - 2 - HB2 ASP 100 - HD3 LYS 32 lone 1 63 - 2 - HB3 PHE 96 - HD3 LYS 119 lone 1 91 - 1 - HB3 PHE 96 - HD2 LYS 119 lone 1 90 - 1 - HB2 ASN 106 - HD3 LYS 119 lone 1 74 - 1 - HB2 ASN 106 - HD2 LYS 119 lone 1 72 - 1 - HG3 GLU 82 - HD2 LYS 32 lone 1 71 - 1 - HG3 GLU 82 - HD3 LYS 32 lone 1 71 - 1 - HG3 GLU 82 - HD3 LYS 119 lone 0 62 - 1 - HG3 GLU 82 - HD2 LYS 119 lone 0 61 - 1 - HB2 ASP 100 - HD3 LYS 119 lone 0 55 - 1 - HB2 ASP 100 - HD2 LYS 119 lone 0 54 - 1 - HB2 PHE 40 - HD3 LYS 119 lone 0 57 - 0 - HB2 PHE 40 - HD2 LYS 119 lone 0 56 - 0 - Peak 2554 from cnoeabs.peaks (2.92, 1.61, 28.93 ppm; 2.98 A): 4 out of 28 assignments used, quality = 1.00: HE3 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 * HE3 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 HE2 LYS 32 + HD3 LYS 32 OK 99 100 - 99 - 3.0=99 HE2 LYS 32 + HD2 LYS 32 OK 99 100 - 99 - 3.0=99 HB3 PHE 96 - HD3 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HB3 PHE 96 - HD2 LYS 32 OK 11 99 - 11 - 2534/2.9=1, ~4564=1...(4) HE3 LYS 32 - HD3 LYS 119 lone 8 95 - 8 - HE2 LYS 32 - HD3 LYS 119 lone 8 94 - 8 - HE3 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HE2 LYS 32 - HD2 LYS 119 lone 7 93 - 8 - HB2 PHE 40 - HD2 LYS 32 lone 5 63 - 8 - ~4668=1, ~6744=1 HB2 PHE 40 - HD3 LYS 32 lone 5 63 - 8 - ~4668=1, ~6744=1 HB2 ASN 106 - HD2 LYS 32 lone 1 81 - 1 - HB2 ASN 106 - HD3 LYS 32 lone 1 81 - 1 - HB3 PHE 96 - HD3 LYS 119 lone 1 92 - 1 - HB3 PHE 96 - HD2 LYS 119 lone 1 91 - 1 - HB2 ASP 100 - HD3 LYS 32 lone 1 60 - 2 - HB2 ASP 100 - HD2 LYS 32 lone 1 60 - 2 - HB2 ASN 106 - HD3 LYS 119 lone 1 72 - 1 - HB2 ASN 106 - HD2 LYS 119 lone 1 70 - 1 - HG3 GLU 82 - HD2 LYS 32 lone 1 73 - 1 - HG3 GLU 82 - HD3 LYS 32 lone 1 73 - 1 - HG3 GLU 82 - HD3 LYS 119 lone 0 65 - 1 - HG3 GLU 82 - HD2 LYS 119 lone 0 63 - 1 - HB2 ASP 100 - HD3 LYS 119 lone 0 52 - 1 - HB2 ASP 100 - HD2 LYS 119 lone 0 51 - 1 - HB2 PHE 40 - HD3 LYS 119 lone 0 55 - 0 - HB2 PHE 40 - HD2 LYS 119 lone 0 54 - 0 - Peak 2557 from cnoeabs.peaks (1.79, 2.92, 41.77 ppm; 4.27 A): 2 out of 28 assignments used, quality = 1.00: * HB2 LYS 32 + HE2 LYS 32 OK 95 100 - 95 - 4.7=77, 3.0/2569=13...(26) HB2 LYS 32 + HE3 LYS 32 OK 95 100 - 95 - 4.7=77, 3.0/2569=13...(26) HG3 PRO 30 - HE2 LYS 32 OK 36 76 - 48 - 1.8/6605=11, ~6605=9...(23) HG3 PRO 30 - HE3 LYS 32 OK 36 76 - 48 - 1.8/6605=11, ~6605=9...(23) HB2 PRO 37 - HE2 LYS 32 OK 18 100 - 18 - 6677/3.8=5, 2527/3.8=3...(7) HB2 PRO 37 - HE3 LYS 32 OK 18 100 - 18 - 6677/3.8=5, 2527/3.8=3...(7) HD3 LYS 109 - HE2 LYS 32 OK 17 81 - 21 - 3.0/7842=2, 3.9/7840=2...(8) HD3 LYS 109 - HE3 LYS 32 OK 17 81 - 21 - 3.0/7842=2, 3.9/7840=2...(8) HD2 LYS 109 - HE2 LYS 32 OK 15 73 - 21 - 3.0/7842=2, 3.9/7840=2...(8) HD2 LYS 109 - HE3 LYS 32 OK 15 73 - 21 - 3.0/7842=2, 3.9/7840=2...(8) HB2 GLU 75 - HE2 LYS 32 OK 14 97 - 15 - 2517/3.8=3, 2527/3.8=3...(8) HB2 GLU 75 - HE3 LYS 32 OK 14 97 - 15 - 2517/3.8=3, 2527/3.8=3...(8) HB2 LEU 117 - HE2 LYS 32 lone 6 95 - 7 - 2527/3.8=1, 2517/3.8=1 HB2 LEU 117 - HE3 LYS 32 lone 6 94 - 7 - 2527/3.8=1, 2517/3.8=1 HG2 GLU 75 - HE2 LYS 32 lone 5 65 - 8 - 2527/3.8=1, 2517/3.8=1 HG2 GLU 75 - HE3 LYS 32 lone 5 65 - 8 - 2527/3.8=1, 2517/3.8=1 HB3 GLU 56 - HE2 LYS 32 lone 4 99 - 4 - HB3 GLU 56 - HE3 LYS 32 lone 4 99 - 4 - HG2 GLN 42 - HE2 LYS 32 lone 4 65 - 6 - HG2 GLN 42 - HE3 LYS 32 lone 4 65 - 6 - HG LEU 117 - HE2 LYS 32 lone 3 73 - 4 - HG LEU 117 - HE3 LYS 32 lone 3 73 - 4 - HB2 PRO 60 - HE2 LYS 32 lone 3 89 - 3 - HB2 PRO 60 - HE3 LYS 32 lone 3 89 - 3 - HB3 ARG 92 - HE2 LYS 32 lone 2 83 - 2 - HB3 ARG 92 - HE3 LYS 32 lone 2 83 - 2 - HB3 ARG 57 - HE2 LYS 32 lone 1 68 - 2 - HB3 ARG 57 - HE3 LYS 32 lone 1 68 - 2 - Peak 2558 from cnoeabs.peaks (1.64, 2.92, 41.77 ppm; 2.81 A): 6 out of 30 assignments used, quality = 0.99: * HB3 LYS 32 + HE2 LYS 32 OK 57 100 - 57 - 4.7=22, 3.0/2560=6...(22) HB3 LYS 32 + HE3 LYS 32 OK 57 100 - 57 - 4.7=22, 3.0/2570=6...(22) HD3 LYS 32 + HE2 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HD2 LYS 32 + HE2 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HD2 LYS 32 + HE3 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HD3 LYS 32 + HE3 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HG2 PRO 30 - HE2 LYS 32 OK 12 68 - 17 - 6605/1.8=3, 6605=3...(6) HG2 PRO 30 - HE3 LYS 32 OK 12 68 - 17 - 6605/1.8=3, 6605=3...(6) HB ILE 34 - HE2 LYS 32 lone 5 99 - 6 - 2.1/6638=1 HB ILE 34 - HE3 LYS 32 lone 5 99 - 6 - 2.1/6638=1 HD2 LYS 31 - HE2 LYS 32 lone 4 87 - 4 - HD3 LYS 31 - HE2 LYS 32 lone 4 87 - 4 - HD3 LYS 31 - HE3 LYS 32 lone 4 87 - 4 - HD2 LYS 31 - HE3 LYS 32 lone 4 87 - 4 - HG LEU 101 - HE2 LYS 32 lone 3 83 - 4 - HG LEU 101 - HE3 LYS 32 lone 3 83 - 4 - HB3 GLN 42 - HE2 LYS 32 lone 2 100 - 2 - HB3 GLN 42 - HE3 LYS 32 lone 2 100 - 2 - HB3 LEU 41 - HE2 LYS 32 lone 2 89 - 2 - HB3 LEU 41 - HE3 LYS 32 lone 2 89 - 2 - HG LEU 51 - HE2 LYS 32 lone 1 100 - 1 - HG LEU 51 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 59 - HE2 LYS 32 lone 1 92 - 1 - HB2 LEU 59 - HE3 LYS 32 lone 1 92 - 1 - HG LEU 27 - HE2 LYS 32 lone 1 95 - 1 - HG LEU 27 - HE3 LYS 32 lone 1 94 - 1 - HG3 ARG 85 - HE2 LYS 32 lone 1 99 - 1 - HG3 ARG 85 - HE3 LYS 32 lone 1 99 - 1 - HG2 ARG 53 - HE2 LYS 32 lone 1 60 - 1 - HG2 ARG 53 - HE3 LYS 32 lone 1 60 - 1 - Peak 2559 from cnoeabs.peaks (1.22, 2.92, 41.77 ppm; 3.42 A): 2 out of 14 assignments used, quality = 0.99: * HG2 LYS 32 + HE2 LYS 32 OK 90 100 - 90 - 3.8=74, 1.8/2560=12...(24) HG2 LYS 32 + HE3 LYS 32 OK 90 100 - 90 - 3.8=74, 1.8/2570=12...(24) HG LEU 77 - HE2 LYS 32 OK 11 87 - 13 - 2529/3.8=2, 4013/3.8=2...(6) HG LEU 77 - HE3 LYS 32 OK 11 87 - 13 - 2529/3.8=2, 4013/3.8=2...(6) HB2 LEU 77 - HE2 LYS 32 poor 10 71 - 14 - 2529/3.8=2, 2499/4.7=2...(6) HB2 LEU 77 - HE3 LYS 32 poor 10 71 - 14 - 2529/3.8=2, 2499/4.7=2...(6) QG2 VAL 18 - HE2 LYS 32 lone 9 97 - 9 - 2509/4.7=1, 2499/4.7=1 QG2 VAL 18 - HE3 LYS 32 lone 9 97 - 9 - 2509/4.7=1, 2499/4.7=1 HB3 LEU 24 - HE2 LYS 32 lone 7 100 - 7 - 2529/3.8=1, 2499/4.7=1 HB3 LEU 24 - HE3 LYS 32 lone 7 100 - 7 - 2529/3.8=1, 2499/4.7=1 HB3 LEU 111 - HE2 LYS 32 lone 6 100 - 5 - HB3 LEU 111 - HE3 LYS 32 lone 6 100 - 5 - HG13 ILE 124 - HE2 LYS 32 lone 5 73 - 7 - 2529/3.8=2, 8117/6.3=1...(4) HG13 ILE 124 - HE3 LYS 32 lone 5 73 - 7 - 2529/3.8=2, 8117/6.3=1...(4) Peak 2560 from cnoeabs.peaks (1.26, 2.92, 41.77 ppm; 3.39 A): 2 out of 16 assignments used, quality = 0.99: * HG3 LYS 32 + HE2 LYS 32 OK 89 100 - 90 - 3.8=72, 1.8/2569=11...(25) HG3 LYS 32 + HE3 LYS 32 OK 89 100 - 90 - 3.8=72, 1.8/2569=11...(25) QD1 ILE 80 - HE2 LYS 32 OK 11 99 - 11 - 7417/3.0=2, 7417/3.0=2...(5) QD1 ILE 80 - HE3 LYS 32 OK 11 99 - 11 - 7417/3.0=2, 7417/3.0=2...(5) QG2 ILE 80 - HE2 LYS 32 lone 10 99 - 10 - 2520/3.8=2, 2510/4.7=1 QG2 ILE 80 - HE3 LYS 32 lone 10 99 - 10 - 2520/3.8=2, 2510/4.7=1 QG2 THR 116 - HE2 LYS 32 lone 9 98 - 9 - 7993/3.0=1, 7993/3.0=1...(5) QG2 THR 116 - HE3 LYS 32 lone 9 98 - 9 - 7993/3.0=1, 7993/3.0=1...(5) HG13 ILE 124 - HE2 LYS 32 lone 6 81 - 8 - 2520/3.8=2, 8117/6.3=2...(4) HG13 ILE 124 - HE3 LYS 32 lone 6 81 - 8 - 2520/3.8=2, 8117/6.3=2...(4) HG LEU 77 - HE2 LYS 32 lone 6 65 - 9 - 4013/3.8=2, 2510/4.7=1 HG LEU 77 - HE3 LYS 32 lone 6 65 - 9 - 4013/3.8=2, 2510/4.7=1 QG2 THR 19 - HE3 LYS 32 lone 5 100 - 5 - QG2 THR 19 - HE2 LYS 32 lone 5 100 - 5 - HG LEU 54 - HE2 LYS 32 lone 2 78 - 3 - HG LEU 54 - HE3 LYS 32 lone 2 78 - 3 - Peak 2561 from cnoeabs.peaks (1.61, 2.92, 41.77 ppm; 2.86 A): 4 out of 34 assignments used, quality = 1.00: * HD2 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HD3 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2554/1.8=7...(16) HD3 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HD2 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HB3 LYS 32 - HE2 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2560=6...(21) HB3 LYS 32 - HE3 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2570=6...(21) HG2 PRO 30 - HE2 LYS 32 OK 21 100 - 22 - 6605/1.8=4, 6605=4...(7) HG2 PRO 30 - HE3 LYS 32 OK 21 100 - 22 - 6605/1.8=4, 6605=4...(7) HD3 LYS 119 - HE2 LYS 32 lone 7 95 - 8 - HD3 LYS 119 - HE3 LYS 32 lone 7 94 - 8 - HD2 LYS 119 - HE2 LYS 32 lone 7 93 - 8 - HD2 LYS 119 - HE3 LYS 32 lone 7 93 - 8 - HD2 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HD3 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HD2 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HD3 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HG LEU 101 - HE2 LYS 32 lone 4 98 - 4 - HG LEU 101 - HE3 LYS 32 lone 4 98 - 4 - HG12 ILE 63 - HE3 LYS 32 lone 3 99 - 3 - HG12 ILE 63 - HE2 LYS 32 lone 3 99 - 3 - HG LEU 126 - HE2 LYS 32 lone 1 92 - 1 - HG LEU 126 - HE3 LYS 32 lone 1 92 - 1 - HB3 GLN 42 - HE2 LYS 32 lone 1 68 - 2 - HB3 GLN 42 - HE3 LYS 32 lone 1 68 - 2 - HG2 ARG 53 - HE2 LYS 32 lone 1 100 - 1 - HG2 ARG 53 - HE3 LYS 32 lone 1 100 - 1 - HB3 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 59 - HE2 LYS 32 lone 1 93 - 1 - HB2 LEU 59 - HE3 LYS 32 lone 1 93 - 1 - HG LEU 51 - HE2 LYS 32 lone 1 73 - 1 - HG LEU 51 - HE3 LYS 32 lone 1 73 - 1 - Peak 2562 from cnoeabs.peaks (1.61, 2.92, 41.77 ppm; 2.86 A): 4 out of 34 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) * HD3 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2554/1.8=7...(16) HD3 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HD2 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HB3 LYS 32 - HE2 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2560=6...(21) HB3 LYS 32 - HE3 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2570=6...(21) HG2 PRO 30 - HE2 LYS 32 OK 21 100 - 22 - 6605/1.8=4, 6605=4...(7) HG2 PRO 30 - HE3 LYS 32 OK 21 100 - 22 - 6605/1.8=4, 6605=4...(7) HD3 LYS 119 - HE2 LYS 32 lone 7 95 - 8 - HD3 LYS 119 - HE3 LYS 32 lone 7 94 - 8 - HD2 LYS 119 - HE2 LYS 32 lone 7 93 - 8 - HD2 LYS 119 - HE3 LYS 32 lone 7 93 - 8 - HD2 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HD3 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HD2 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HD3 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HG LEU 101 - HE2 LYS 32 lone 4 98 - 4 - HG LEU 101 - HE3 LYS 32 lone 4 98 - 4 - HG12 ILE 63 - HE3 LYS 32 lone 3 99 - 3 - HG12 ILE 63 - HE2 LYS 32 lone 3 99 - 3 - HG LEU 126 - HE2 LYS 32 lone 1 92 - 1 - HG LEU 126 - HE3 LYS 32 lone 1 92 - 1 - HB3 GLN 42 - HE2 LYS 32 lone 1 68 - 2 - HB3 GLN 42 - HE3 LYS 32 lone 1 68 - 2 - HG2 ARG 53 - HE2 LYS 32 lone 1 100 - 1 - HG2 ARG 53 - HE3 LYS 32 lone 1 100 - 1 - HB3 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 59 - HE2 LYS 32 lone 1 93 - 1 - HB2 LEU 59 - HE3 LYS 32 lone 1 93 - 1 - HG LEU 51 - HE2 LYS 32 lone 1 73 - 1 - HG LEU 51 - HE3 LYS 32 lone 1 73 - 1 - Peak 2563 from cnoeabs.peaks (2.92, 2.92, 41.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 Peak 2564 from cnoeabs.peaks (2.92, 2.92, 41.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 Reference assignment not found: HE3 LYS 32 - HE2 LYS 32 Peak 2567 from cnoeabs.peaks (1.79, 2.92, 41.77 ppm; 4.27 A): 2 out of 28 assignments used, quality = 1.00: * HB2 LYS 32 + HE3 LYS 32 OK 95 100 - 95 - 4.7=77, 3.0/2569=13...(26) HB2 LYS 32 + HE2 LYS 32 OK 95 100 - 95 - 4.7=77, 3.0/2569=13...(26) HG3 PRO 30 - HE3 LYS 32 OK 36 76 - 48 - 1.8/6605=12, ~6605=9...(23) HG3 PRO 30 - HE2 LYS 32 OK 36 76 - 48 - 1.8/6605=11, ~6605=9...(23) HB2 PRO 37 - HE2 LYS 32 OK 18 100 - 18 - 6677/3.8=5, 2527/3.8=3...(7) HB2 PRO 37 - HE3 LYS 32 OK 18 100 - 18 - 6677/3.8=5, 2527/3.8=3...(7) HD3 LYS 109 - HE2 LYS 32 OK 17 81 - 21 - 3.9/7840=2, 3.0/7842=2...(8) HD3 LYS 109 - HE3 LYS 32 OK 17 81 - 21 - 3.9/7840=2, 3.0/7842=2...(8) HD2 LYS 109 - HE2 LYS 32 OK 15 73 - 21 - 3.9/7840=2, 3.0/7842=2...(8) HD2 LYS 109 - HE3 LYS 32 OK 15 73 - 20 - 3.9/7840=2, 3.0/7842=2...(8) HB2 GLU 75 - HE3 LYS 32 OK 14 97 - 15 - 2517/3.8=3, 2527/3.8=3...(8) HB2 GLU 75 - HE2 LYS 32 OK 14 97 - 15 - 2517/3.8=3, 2527/3.8=3...(8) HB2 LEU 117 - HE2 LYS 32 lone 6 94 - 7 - 2527/3.8=1, 2517/3.8=1 HB2 LEU 117 - HE3 LYS 32 lone 6 95 - 7 - 2527/3.8=1, 2517/3.8=1 HG2 GLU 75 - HE3 LYS 32 lone 5 65 - 8 - 2527/3.8=1, 2517/3.8=1 HG2 GLU 75 - HE2 LYS 32 lone 5 65 - 8 - 2527/3.8=1, 2517/3.8=1 HB3 GLU 56 - HE2 LYS 32 lone 4 99 - 4 - HB3 GLU 56 - HE3 LYS 32 lone 4 99 - 4 - HG2 GLN 42 - HE2 LYS 32 lone 4 65 - 6 - HG2 GLN 42 - HE3 LYS 32 lone 4 65 - 6 - HG LEU 117 - HE2 LYS 32 lone 3 73 - 4 - HG LEU 117 - HE3 LYS 32 lone 3 73 - 4 - HB2 PRO 60 - HE2 LYS 32 lone 3 89 - 3 - HB2 PRO 60 - HE3 LYS 32 lone 3 89 - 3 - HB3 ARG 92 - HE3 LYS 32 lone 2 83 - 2 - HB3 ARG 92 - HE2 LYS 32 lone 2 83 - 2 - HB3 ARG 57 - HE2 LYS 32 lone 1 68 - 2 - HB3 ARG 57 - HE3 LYS 32 lone 1 68 - 2 - Peak 2568 from cnoeabs.peaks (1.64, 2.92, 41.77 ppm; 2.81 A): 6 out of 30 assignments used, quality = 0.99: HB3 LYS 32 + HE2 LYS 32 OK 57 100 - 57 - 4.7=22, 3.0/2570=6...(22) * HB3 LYS 32 + HE3 LYS 32 OK 57 100 - 57 - 4.7=22, 3.0/2570=6...(22) HD2 LYS 32 + HE3 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HD3 LYS 32 + HE3 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HD2 LYS 32 + HE2 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HD3 LYS 32 + HE2 LYS 32 OK 54 60 - 91 - 3.0=83, 1.8/2544=6...(16) HG2 PRO 30 - HE3 LYS 32 OK 12 68 - 17 - 6605/1.8=3, 6605=3...(6) HG2 PRO 30 - HE2 LYS 32 OK 12 68 - 17 - 6605/1.8=3, 6605=3...(6) HB ILE 34 - HE2 LYS 32 lone 5 99 - 5 - 2.1/6638=1 HB ILE 34 - HE3 LYS 32 lone 5 99 - 5 - 2.1/6638=1 HD2 LYS 31 - HE3 LYS 32 lone 4 87 - 4 - HD3 LYS 31 - HE3 LYS 32 lone 4 87 - 4 - HD2 LYS 31 - HE2 LYS 32 lone 4 87 - 4 - HD3 LYS 31 - HE2 LYS 32 lone 4 87 - 4 - HG LEU 101 - HE2 LYS 32 lone 3 83 - 4 - HG LEU 101 - HE3 LYS 32 lone 3 83 - 4 - HB3 GLN 42 - HE2 LYS 32 lone 2 100 - 2 - HB3 GLN 42 - HE3 LYS 32 lone 2 100 - 2 - HB3 LEU 41 - HE2 LYS 32 lone 2 89 - 2 - HB3 LEU 41 - HE3 LYS 32 lone 2 89 - 2 - HG LEU 51 - HE2 LYS 32 lone 1 100 - 1 - HG LEU 51 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 59 - HE2 LYS 32 lone 1 92 - 1 - HB2 LEU 59 - HE3 LYS 32 lone 1 92 - 1 - HG LEU 27 - HE2 LYS 32 lone 1 94 - 1 - HG LEU 27 - HE3 LYS 32 lone 1 95 - 1 - HG3 ARG 85 - HE2 LYS 32 lone 1 99 - 1 - HG3 ARG 85 - HE3 LYS 32 lone 1 99 - 1 - HG2 ARG 53 - HE2 LYS 32 lone 1 60 - 1 - HG2 ARG 53 - HE3 LYS 32 lone 1 60 - 1 - Peak 2569 from cnoeabs.peaks (1.22, 2.92, 41.77 ppm; 3.42 A): 2 out of 14 assignments used, quality = 0.99: * HG2 LYS 32 + HE3 LYS 32 OK 90 100 - 90 - 3.8=74, 1.8/2570=12...(24) HG2 LYS 32 + HE2 LYS 32 OK 90 100 - 90 - 3.8=74, 1.8/2570=12...(24) HG LEU 77 - HE3 LYS 32 OK 11 87 - 13 - 2529/3.8=2, 4013/3.8=2...(6) HG LEU 77 - HE2 LYS 32 OK 11 87 - 13 - 2529/3.8=2, 4013/3.8=2...(6) HB2 LEU 77 - HE2 LYS 32 poor 10 71 - 14 - 2529/3.8=2, 2499/4.7=2...(6) HB2 LEU 77 - HE3 LYS 32 poor 10 71 - 14 - 2529/3.8=2, 2499/4.7=2...(6) QG2 VAL 18 - HE2 LYS 32 lone 9 97 - 9 - 2509/4.7=1, 2499/4.7=1 QG2 VAL 18 - HE3 LYS 32 lone 9 97 - 9 - 2509/4.7=1, 2499/4.7=1 HB3 LEU 24 - HE2 LYS 32 lone 7 100 - 7 - 2529/3.8=1, 2499/4.7=1 HB3 LEU 24 - HE3 LYS 32 lone 7 100 - 7 - 2529/3.8=1, 2499/4.7=1 HB3 LEU 111 - HE2 LYS 32 lone 6 100 - 5 - HB3 LEU 111 - HE3 LYS 32 lone 6 100 - 5 - HG13 ILE 124 - HE3 LYS 32 lone 5 73 - 7 - 2529/3.8=2, 8117/6.3=1...(4) HG13 ILE 124 - HE2 LYS 32 lone 5 73 - 7 - 2529/3.8=2, 8117/6.3=1...(4) Peak 2570 from cnoeabs.peaks (1.26, 2.92, 41.77 ppm; 3.39 A): 2 out of 16 assignments used, quality = 0.99: * HG3 LYS 32 + HE3 LYS 32 OK 89 100 - 90 - 3.8=72, 1.8/2569=11...(25) HG3 LYS 32 + HE2 LYS 32 OK 89 100 - 90 - 3.8=72, 1.8/2569=11...(25) QD1 ILE 80 - HE2 LYS 32 OK 11 99 - 11 - 7417/3.0=2, 7417/3.0=2...(5) QD1 ILE 80 - HE3 LYS 32 OK 11 99 - 11 - 7417/3.0=2, 7417/3.0=2...(5) QG2 ILE 80 - HE3 LYS 32 lone 10 99 - 10 - 2520/3.8=2, 2510/4.7=1 QG2 ILE 80 - HE2 LYS 32 lone 10 99 - 10 - 2520/3.8=2, 2510/4.7=1 QG2 THR 116 - HE3 LYS 32 lone 9 98 - 9 - 7993/3.0=1, 7993/3.0=1...(5) QG2 THR 116 - HE2 LYS 32 lone 9 98 - 9 - 7993/3.0=1, 7993/3.0=1...(5) HG13 ILE 124 - HE3 LYS 32 lone 6 81 - 8 - 2520/3.8=2, 8117/6.3=2...(4) HG13 ILE 124 - HE2 LYS 32 lone 6 81 - 8 - 2520/3.8=2, 8117/6.3=2...(4) HG LEU 77 - HE3 LYS 32 lone 6 65 - 9 - 4013/3.8=2, 2510/4.7=1 HG LEU 77 - HE2 LYS 32 lone 6 65 - 9 - 4013/3.8=2, 2510/4.7=1 QG2 THR 19 - HE3 LYS 32 lone 5 100 - 5 - QG2 THR 19 - HE2 LYS 32 lone 5 100 - 5 - HG LEU 54 - HE3 LYS 32 lone 2 78 - 3 - HG LEU 54 - HE2 LYS 32 lone 2 78 - 3 - Peak 2571 from cnoeabs.peaks (1.61, 2.92, 41.77 ppm; 2.86 A): 4 out of 34 assignments used, quality = 1.00: * HD2 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HD3 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HD3 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2554/1.8=7...(16) HD2 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HB3 LYS 32 - HE3 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2570=6...(21) HB3 LYS 32 - HE2 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2570=6...(21) HG2 PRO 30 - HE2 LYS 32 OK 21 100 - 22 - 6605/1.8=4, 6605=4...(7) HG2 PRO 30 - HE3 LYS 32 OK 21 100 - 22 - 6605=4, 6605/1.8=4...(7) HD3 LYS 119 - HE3 LYS 32 lone 7 95 - 8 - HD3 LYS 119 - HE2 LYS 32 lone 7 94 - 8 - HD2 LYS 119 - HE3 LYS 32 lone 7 93 - 8 - HD2 LYS 119 - HE2 LYS 32 lone 7 93 - 8 - HD3 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HD2 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HD3 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HD2 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HG LEU 101 - HE2 LYS 32 lone 4 98 - 4 - HG LEU 101 - HE3 LYS 32 lone 4 98 - 4 - HG12 ILE 63 - HE3 LYS 32 lone 3 99 - 3 - HG12 ILE 63 - HE2 LYS 32 lone 3 99 - 3 - HG LEU 126 - HE3 LYS 32 lone 1 92 - 1 - HG LEU 126 - HE2 LYS 32 lone 1 92 - 1 - HB3 GLN 42 - HE3 LYS 32 lone 1 68 - 2 - HB3 GLN 42 - HE2 LYS 32 lone 1 68 - 2 - HG2 ARG 53 - HE2 LYS 32 lone 1 100 - 1 - HG2 ARG 53 - HE3 LYS 32 lone 1 100 - 1 - HB3 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 59 - HE3 LYS 32 lone 1 93 - 1 - HB2 LEU 59 - HE2 LYS 32 lone 1 93 - 1 - HG LEU 51 - HE3 LYS 32 lone 1 73 - 1 - HG LEU 51 - HE2 LYS 32 lone 1 73 - 1 - Peak 2572 from cnoeabs.peaks (1.61, 2.92, 41.77 ppm; 2.86 A): 4 out of 34 assignments used, quality = 1.00: HD2 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) * HD3 LYS 32 + HE3 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HD3 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2554/1.8=7...(16) HD2 LYS 32 + HE2 LYS 32 OK 93 100 - 93 - 3.0=87, 2544/1.8=7...(16) HB3 LYS 32 - HE3 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2570=6...(21) HB3 LYS 32 - HE2 LYS 32 OK 35 60 - 58 - 4.7=23, 3.0/2570=6...(21) HG2 PRO 30 - HE2 LYS 32 OK 21 100 - 22 - 6605/1.8=4, 6605=4...(7) HG2 PRO 30 - HE3 LYS 32 OK 21 100 - 22 - 6605=4, 6605/1.8=4...(7) HD3 LYS 119 - HE3 LYS 32 lone 7 95 - 8 - HD3 LYS 119 - HE2 LYS 32 lone 7 94 - 8 - HD2 LYS 119 - HE3 LYS 32 lone 7 93 - 8 - HD2 LYS 119 - HE2 LYS 32 lone 7 93 - 8 - HD3 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HD2 LYS 31 - HE3 LYS 32 lone 4 97 - 4 - HD3 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HD2 LYS 31 - HE2 LYS 32 lone 4 97 - 4 - HG LEU 101 - HE2 LYS 32 lone 4 98 - 4 - HG LEU 101 - HE3 LYS 32 lone 4 98 - 4 - HG12 ILE 63 - HE3 LYS 32 lone 3 99 - 3 - HG12 ILE 63 - HE2 LYS 32 lone 3 99 - 3 - HG LEU 126 - HE3 LYS 32 lone 1 92 - 1 - HG LEU 126 - HE2 LYS 32 lone 1 92 - 1 - HB3 GLN 42 - HE3 LYS 32 lone 1 68 - 2 - HB3 GLN 42 - HE2 LYS 32 lone 1 68 - 2 - HG2 ARG 53 - HE2 LYS 32 lone 1 100 - 1 - HG2 ARG 53 - HE3 LYS 32 lone 1 100 - 1 - HB3 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE3 LYS 32 lone 1 99 - 1 - HB2 LEU 126 - HE2 LYS 32 lone 1 99 - 1 - HB2 LEU 59 - HE3 LYS 32 lone 1 93 - 1 - HB2 LEU 59 - HE2 LYS 32 lone 1 93 - 1 - HG LEU 51 - HE3 LYS 32 lone 1 73 - 1 - HG LEU 51 - HE2 LYS 32 lone 1 73 - 1 - Peak 2573 from cnoeabs.peaks (2.92, 2.92, 41.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 Reference assignment not found: HE2 LYS 32 - HE3 LYS 32 Peak 2574 from cnoeabs.peaks (2.92, 2.92, 41.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 Peak 2575 from cnoeabs.peaks (8.10, 3.86, 63.00 ppm; 3.56 A): 1 out of 21 assignments used, quality = 1.00: * H THR 33 + HA THR 33 OK 100 100 - 100 - 2.9=100 HD22 ASN 79 - HA THR 33 OK 21 99 - 21 - ~128=3, 2579/3.0=3...(8) H GLN 105 - HA THR 33 OK 18 95 - 19 - 522=4, 2579/3.0=3...(8) H THR 33 - HB2 SER 35 OK 11 95 - 11 - 4.0/2578=2, 912=2...(5) H GLY 39 - HA THR 33 lone 7 100 - 7 - 138/3.6=1, 2579/3.0=1 H LEU 24 - HA THR 33 lone 7 95 - 7 - 2579/3.0=1 H GLY 39 - HB2 SER 13 lone 5 94 - 6 - 153/1.8=1, 1448/4.0=1 H THR 33 - HB2 SER 13 lone 5 95 - 5 - H LEU 55 - HA THR 33 lone 5 83 - 5 - HD22 ASN 79 - HB2 SER 13 lone 4 93 - 5 - H SER 78 - HA THR 33 lone 4 63 - 7 - H GLN 105 - HB2 SER 35 lone 4 86 - 5 - H LEU 55 - HB2 SER 13 lone 4 74 - 5 - 244/1.8=1 HD22 ASN 79 - HB2 SER 35 lone 4 93 - 4 - H GLY 39 - HB2 SER 35 lone 3 94 - 3 - H LEU 24 - HB2 SER 13 lone 3 86 - 3 - H GLN 105 - HB2 SER 13 lone 2 86 - 2 - H SER 78 - HB2 SER 35 lone 2 55 - 3 - H LEU 24 - HB2 SER 35 lone 1 86 - 2 - H LEU 55 - HB2 SER 35 lone 1 74 - 2 - H SER 78 - HB2 SER 13 lone 1 55 - 2 - Peak 2576 from cnoeabs.peaks (3.86, 3.86, 63.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA THR 33 + HA THR 33 OK 100 100 - 100 HB2 SER 35 + HB2 SER 35 OK 94 94 - 100 HB2 SER 13 + HB2 SER 13 OK 90 90 - 100 Peak 2577 from cnoeabs.peaks (3.86, 3.86, 63.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA THR 33 + HA THR 33 OK 100 100 - 100 HB2 SER 35 + HB2 SER 35 OK 94 94 - 100 HB2 SER 13 + HB2 SER 13 OK 91 91 - 100 Reference assignment not found: HB THR 33 - HA THR 33 Peak 2578 from cnoeabs.peaks (1.05, 3.86, 63.00 ppm; 2.95 A): 4 out of 15 assignments used, quality = 0.93: * QG2 THR 33 + HA THR 33 OK 86 100 - 86 - 3.2=78, 5537/3.6=12...(8) HG13 ILE 34 + HA THR 33 OK 36 97 - 37 - 920/3.6=9, 2582/3.0=5...(15) QG2 THR 33 + HB2 SER 35 OK 15 95 - 16 - 6619/3.0=7, 2584=3, 4.2/5535=1 HG13 ILE 34 + HB2 SER 35 OK 13 89 - 15 - ~6657=5, 2.1/8184=2...(5) HB3 LEU 21 - HA THR 33 lone 9 100 - 8 - 914/2.9=1, 141/3.6=1, 2582/3.0=1 QD2 LEU 101 - HA THR 33 lone 5 83 - 5 - QG1 VAL 120 - HB2 SER 35 lone 4 72 - 6 - 6656/3.0=2, 8061=2 QG1 VAL 120 - HA THR 33 lone 3 81 - 4 - HG13 ILE 34 - HB2 SER 13 lone 3 89 - 3 - QG2 THR 33 - HB2 SER 13 lone 3 95 - 3 - HB3 LEU 21 - HB2 SER 13 lone 2 94 - 2 - HB3 LEU 21 - HB2 SER 35 lone 2 95 - 2 - QD2 LEU 101 - HB2 SER 35 lone 1 74 - 1 - QD2 LEU 101 - HB2 SER 13 lone 1 74 - 1 - QG1 VAL 120 - HB2 SER 13 lone 1 72 - 1 - Peak 2579 from cnoeabs.peaks (8.10, 3.86, 69.24 ppm; 3.16 A): 3 out of 7 assignments used, quality = 0.81: * H THR 33 + HB THR 33 OK 75 100 - 75 - 4.0=47, 2583/2.1=16...(11) H GLN 105 + HB THR 33 OK 12 95 - 13 - 2583/2.1=3, ~6619=3...(4) HD22 ASN 79 + HB THR 33 OK 10 99 - 10 - 2575/3.0=2, 2583/2.1=2 H GLY 39 - HB THR 33 lone 4 100 - 4 - H LEU 24 - HB THR 33 lone 4 95 - 4 - H SER 78 - HB THR 33 lone 2 63 - 4 - H LEU 55 - HB THR 33 lone 2 83 - 2 - Peak 2580 from cnoeabs.peaks (3.86, 3.86, 69.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB THR 33 + HB THR 33 OK 100 100 - 100 Reference assignment not found: HA THR 33 - HB THR 33 Peak 2581 from cnoeabs.peaks (3.86, 3.86, 69.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 33 + HB THR 33 OK 100 100 - 100 Peak 2582 from cnoeabs.peaks (1.05, 3.86, 69.24 ppm; 2.69 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 33 + HB THR 33 OK 100 100 - 100 - 2.1=100 HG13 ILE 34 - HB THR 33 OK 27 97 - 29 - 4.6/5536=6, 2578/3.0=4...(11) HB3 LEU 21 - HB THR 33 lone 6 100 - 6 - QD2 LEU 101 - HB THR 33 lone 3 83 - 4 - QG1 VAL 120 - HB THR 33 lone 2 81 - 3 - Peak 2583 from cnoeabs.peaks (8.10, 1.05, 21.50 ppm; 3.84 A): 1 out of 7 assignments used, quality = 0.95: * H THR 33 + QG2 THR 33 OK 95 100 - 95 - 4.0=90, 2579/2.1=29...(5) H GLN 105 - QG2 THR 33 OK 16 95 - 17 - 2.9/6619=7, 2579/2.1=5...(4) HD22 ASN 79 - QG2 THR 33 OK 12 99 - 12 - 2579/2.1=4, 2575/3.2=3...(4) H GLY 39 - QG2 THR 33 lone 6 100 - 6 - 2579/2.1=1, 138/4.2=1 H LEU 24 - QG2 THR 33 lone 5 95 - 5 - 2579/2.1=1 H SER 78 - QG2 THR 33 lone 2 63 - 4 - H LEU 55 - QG2 THR 33 lone 2 83 - 3 - Peak 2584 from cnoeabs.peaks (3.86, 1.05, 21.50 ppm; 2.60 A): 2 out of 13 assignments used, quality = 1.00: HB THR 33 + QG2 THR 33 OK 100 100 - 100 - 2.1=100 * HA THR 33 + QG2 THR 33 OK 66 100 - 66 - 3.2=54, 3.6/5537=9...(7) HB2 SER 35 - QG2 THR 33 OK 12 100 - 12 - 3.0/6619=5, 2578=3 HA3 GLY 104 - QG2 THR 33 lone 3 100 - 3 - 3.6/2583=1 HA GLU 15 - QG2 THR 33 lone 3 97 - 3 - 5956/4.2=1 HB3 ASN 79 - QG2 THR 33 lone 3 76 - 4 - HB2 SER 13 - QG2 THR 33 lone 2 97 - 2 - HA THR 19 - QG2 THR 33 lone 2 87 - 2 - HA LEU 77 - QG2 THR 33 lone 2 76 - 2 - HA LYS 119 - QG2 THR 33 lone 1 63 - 1 - HA ARG 53 - QG2 THR 33 lone 1 65 - 1 - HB THR 95 - QG2 THR 33 lone 0 60 - 0 - HB3 SER 112 - QG2 THR 33 lone 0 57 - 0 - Peak 2585 from cnoeabs.peaks (3.86, 1.05, 21.50 ppm; 2.60 A): 2 out of 13 assignments used, quality = 1.00: * HB THR 33 + QG2 THR 33 OK 100 100 - 100 - 2.1=100 HA THR 33 + QG2 THR 33 OK 66 100 - 66 - 3.2=54, 3.6/5537=9...(7) HB2 SER 35 - QG2 THR 33 OK 12 100 - 12 - 3.0/6619=5, 2578=3 HA3 GLY 104 - QG2 THR 33 lone 3 99 - 3 - 3.6/2583=1 HA GLU 15 - QG2 THR 33 lone 3 96 - 3 - 5956/4.2=1 HB3 ASN 79 - QG2 THR 33 lone 3 78 - 4 - HB2 SER 13 - QG2 THR 33 lone 2 98 - 2 - HA THR 19 - QG2 THR 33 lone 2 85 - 2 - HA LEU 77 - QG2 THR 33 lone 2 73 - 2 - HA LYS 119 - QG2 THR 33 lone 1 60 - 1 - HA ARG 53 - QG2 THR 33 lone 1 68 - 1 - HB THR 95 - QG2 THR 33 lone 0 63 - 0 - HB3 SER 112 - QG2 THR 33 lone 0 60 - 0 - Peak 2586 from cnoeabs.peaks (1.05, 1.05, 21.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 33 + QG2 THR 33 OK 100 100 - 100 Peak 2587 from cnoeabs.peaks (8.59, 3.90, 60.00 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 34 + HA ILE 34 OK 100 100 - 100 - 3.0=100 H VAL 18 - HA ILE 34 OK 34 100 - 34 - 2601/3.2=9, 2594/3.0=8...(7) H GLY 86 - HA ILE 34 poor 10 63 - 15 - 2594/3.0=2, 2601/3.2=2...(7) H SER 29 - HA ILE 34 poor 9 73 - 12 - 2622/4.1=3, 2594/3.0=2...(6) Peak 2588 from cnoeabs.peaks (3.90, 3.90, 60.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 34 + HA ILE 34 OK 100 100 - 100 Peak 2589 from cnoeabs.peaks (1.65, 3.90, 60.00 ppm; 3.72 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 34 + HA ILE 34 OK 100 100 - 100 - 3.0=100 HG LEU 51 - HA ILE 34 OK 39 95 - 42 - 2.1/2593=9, 8630/4.0=6...(14) HG3 ARG 85 - HA ILE 34 OK 25 100 - 25 - 2603/3.2=3, 917/3.0=2...(12) HG LEU 27 - HA ILE 34 OK 24 100 - 24 - 6560/4.0=5, 2603/3.2=4...(10) HB3 LYS 32 - HA ILE 34 OK 18 99 - 18 - 917/3.0=4, 2603/3.2=3...(7) HB3 LEU 41 - HA ILE 34 OK 15 98 - 15 - 917/3.0=2, ~8728=2...(7) HB3 GLN 42 - HA ILE 34 lone 9 97 - 9 - 2603/3.2=1, 917/3.0=1 HG LEU 101 - HA ILE 34 poor 6 63 - 10 - ~8251=2, 2603/3.2=1, 2610/4.0=1 HB2 LEU 59 - HA ILE 34 lone 2 76 - 3 - HD3 LYS 31 - HA ILE 34 lone 1 68 - 2 - HD2 LYS 31 - HA ILE 34 lone 1 68 - 2 - Peak 2590 from cnoeabs.peaks (0.50, 3.90, 60.00 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.99: * QG2 ILE 34 + HA ILE 34 OK 99 100 - 99 - 3.2=99 Peak 2591 from cnoeabs.peaks (0.55, 3.90, 60.00 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.97: * HG12 ILE 34 + HA ILE 34 OK 97 100 - 97 - 4.0=73, 2611/3.2=31...(17) QD2 LEU 45 - HA ILE 34 OK 29 100 - 29 - 2598/3.0=7, 2605/3.2=6...(6) QD2 LEU 77 - HA ILE 34 OK 10 78 - 13 - 2605/3.2=3, 2598/3.0=3...(6) QG1 VAL 50 - HA ILE 34 OK 10 90 - 11 - 2598/3.0=3, 2605/3.2=2...(5) Peak 2592 from cnoeabs.peaks (1.06, 3.90, 60.00 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.99: * HG13 ILE 34 + HA ILE 34 OK 98 100 - 98 - 4.0=81, 2618/3.2=32...(16) QG2 THR 33 + HA ILE 34 OK 60 97 - 63 - 5537/3.0=23, ~5536=12...(12) HB3 LEU 21 - HA ILE 34 OK 17 95 - 18 - 2599/3.0=4, 2606/3.2=4...(6) Peak 2593 from cnoeabs.peaks (0.18, 3.90, 60.00 ppm; 3.77 A): 1 out of 2 assignments used, quality = 0.98: * QD1 ILE 34 + HA ILE 34 OK 98 100 - 98 - 4.1=76, 3.0/2590=34...(18) QD2 LEU 51 - HA ILE 34 OK 34 78 - 43 - 2600/3.0=9, 2607/3.2=8...(11) Peak 2594 from cnoeabs.peaks (8.59, 1.65, 37.64 ppm; 3.30 A): 3 out of 4 assignments used, quality = 0.93: * H ILE 34 + HB ILE 34 OK 89 100 - 89 - 3.9=59, 918/2.1=27...(16) H VAL 18 + HB ILE 34 OK 32 100 - 33 - 2601/2.1=8, 2615/2.9=6...(7) H GLY 86 + HB ILE 34 OK 10 63 - 17 - 3.6/4279=3, 2601/2.1=2...(10) H SER 29 - HB ILE 34 poor 9 73 - 12 - 2622/3.2=3, 4.4/102=2...(6) Peak 2595 from cnoeabs.peaks (3.90, 1.65, 37.64 ppm; 3.71 A): 1 out of 13 assignments used, quality = 1.00: * HA ILE 34 + HB ILE 34 OK 100 100 - 100 - 3.0=100 HD2 PRO 68 - HB ILE 34 OK 18 98 - 18 - 2602/2.1=3, 2609/2.9=2...(9) HD3 PRO 68 - HB ILE 34 OK 17 97 - 18 - 2602/2.1=3, 2609/2.9=2...(9) HA ARG 85 - HB ILE 34 OK 17 63 - 28 - 4279=4, 3.0/1195=3...(15) HA2 GLY 2 - HB ILE 34 OK 15 100 - 15 - 2602/2.1=2, 2616/2.9=2...(8) HA3 GLY 2 - HB ILE 34 OK 15 100 - 15 - 2602/2.1=2, 2616/2.9=2...(8) HB THR 95 - HB ILE 34 lone 9 93 - 9 - 2602/2.1=2, ~8251=2...(5) HB2 SER 112 - HB ILE 34 lone 7 97 - 7 - 2602/2.1=1, 2616/2.9=1 HB3 SER 112 - HB ILE 34 lone 7 95 - 7 - 2602/2.1=1 HA ARG 53 - HB ILE 34 lone 7 90 - 7 - 2602/2.1=2 HA ALA 43 - HB ILE 34 lone 5 89 - 5 - HB THR 62 - HB ILE 34 lone 4 97 - 4 - HB3 ASN 79 - HB ILE 34 lone 4 83 - 5 - Peak 2596 from cnoeabs.peaks (1.65, 1.65, 37.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 34 + HB ILE 34 OK 100 100 - 100 Peak 2597 from cnoeabs.peaks (0.50, 1.65, 37.64 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 34 + HB ILE 34 OK 100 100 - 100 - 2.1=100 Peak 2598 from cnoeabs.peaks (0.55, 1.65, 37.64 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 34 + HB ILE 34 OK 100 100 - 100 - 2.9=100 QD2 LEU 45 + HB ILE 34 OK 46 100 - 46 - 2605/2.1=8, 6842/3.2=7...(16) QG1 VAL 50 - HB ILE 34 OK 17 90 - 19 - 2605/2.1=3, 2626/3.2=3...(9) QD2 LEU 77 - HB ILE 34 OK 17 78 - 21 - 2605/2.1=4, 2626/3.2=3...(10) Peak 2599 from cnoeabs.peaks (1.06, 1.65, 37.64 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 34 + HB ILE 34 OK 100 100 - 100 - 2.9=100 QG2 THR 33 + HB ILE 34 OK 52 97 - 54 - 5537/3.9=14, 2606/2.1=10...(13) HB3 LEU 21 - HB ILE 34 OK 21 95 - 22 - 2606/2.1=4, 2613/2.9=3...(10) Peak 2600 from cnoeabs.peaks (0.18, 1.65, 37.64 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 34 + HB ILE 34 OK 100 100 - 100 - 3.2=100 QD2 LEU 51 - HB ILE 34 OK 42 78 - 53 - 2607/2.1=9, 2614/2.9=8...(21) Peak 2601 from cnoeabs.peaks (8.59, 0.50, 17.36 ppm; 3.89 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 34 + QG2 ILE 34 OK 99 100 - 99 - 4.0=90, 3.0/2590=36...(18) H VAL 18 + QG2 ILE 34 OK 60 100 - 60 - 4.0/8395=19, 4.0/8195=14...(11) H SER 29 - QG2 ILE 34 OK 13 73 - 18 - 2622/3.0=4, 2594/2.1=3...(6) H GLY 86 - QG2 ILE 34 OK 13 63 - 21 - 2594/2.1=3, 3.0/6640=3...(10) Peak 2602 from cnoeabs.peaks (3.90, 0.50, 17.36 ppm; 3.30 A): 1 out of 13 assignments used, quality = 1.00: * HA ILE 34 + QG2 ILE 34 OK 100 100 - 100 - 3.2=100 HD2 PRO 68 - QG2 ILE 34 OK 14 98 - 15 - 2595/2.1=2, 2623/3.0=2...(5) HD3 PRO 68 - QG2 ILE 34 OK 14 97 - 15 - 2595/2.1=2, 2623/3.0=2...(5) HA2 GLY 2 - QG2 ILE 34 OK 12 100 - 12 - 2595/2.1=2, 2623/3.0=2...(5) HA3 GLY 2 - QG2 ILE 34 OK 12 100 - 12 - 2595/2.1=2, 2623/3.0=2...(5) HA ARG 85 - QG2 ILE 34 OK 11 63 - 17 - 4279/2.1=2, 4.1/2603=2...(8) HB THR 95 - QG2 ILE 34 lone 9 93 - 9 - 2.1/8251=2, 7621/4671=1...(4) HA ARG 53 - QG2 ILE 34 lone 8 90 - 9 - HB2 SER 112 - QG2 ILE 34 lone 6 97 - 6 - HB3 SER 112 - QG2 ILE 34 lone 6 95 - 6 - HB3 ASN 79 - QG2 ILE 34 lone 4 83 - 5 - HB THR 62 - QG2 ILE 34 lone 4 97 - 4 - HA ALA 43 - QG2 ILE 34 lone 3 89 - 3 - Peak 2603 from cnoeabs.peaks (1.65, 0.50, 17.36 ppm; 2.91 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 34 + QG2 ILE 34 OK 100 100 - 100 - 2.1=100 HG LEU 51 - QG2 ILE 34 OK 33 95 - 35 - 2.1/2607=7, 8630/3.2=4...(15) HG LEU 27 - QG2 ILE 34 OK 25 100 - 25 - 6560/3.2=4, 2624/3.0=3...(11) HB3 LYS 32 - QG2 ILE 34 OK 20 99 - 21 - 3.0/6634=3, 4.7/6621=3...(8) HG3 ARG 85 - QG2 ILE 34 OK 19 100 - 19 - 3.0/6639=3, 2624/3.0=2...(8) HB3 LEU 41 - QG2 ILE 34 OK 12 98 - 13 - 6749/8395=1, 3.1/8251=1 HB3 GLN 42 - QG2 ILE 34 lone 8 97 - 8 - HG LEU 101 - QG2 ILE 34 poor 8 63 - 12 - 2.1/8251=3, ~8154=1...(4) HB2 LEU 59 - QG2 ILE 34 lone 2 76 - 3 - 4.8/6639=1 HD3 LYS 31 - QG2 ILE 34 lone 1 68 - 2 - HD2 LYS 31 - QG2 ILE 34 lone 1 68 - 2 - Peak 2604 from cnoeabs.peaks (0.50, 0.50, 17.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 34 + QG2 ILE 34 OK 100 100 - 100 Peak 2605 from cnoeabs.peaks (0.55, 0.50, 17.36 ppm; 2.88 A): 2 out of 4 assignments used, quality = 0.95: * HG12 ILE 34 + QG2 ILE 34 OK 93 100 - 93 - 3.2=74, 1.8/2618=30...(14) QD2 LEU 45 + QG2 ILE 34 OK 29 100 - 29 - 2598/2.1=6, 6842/3.0=5...(11) QD2 LEU 77 - QG2 ILE 34 OK 14 78 - 17 - 3.1/6634=3, 2598/2.1=2...(6) QG1 VAL 50 - QG2 ILE 34 poor 9 90 - 10 - 2598/2.1=2, 2626/3.0=2...(4) Peak 2606 from cnoeabs.peaks (1.06, 0.50, 17.36 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 34 + QG2 ILE 34 OK 100 100 - 100 - 3.2=100 QG2 THR 33 + QG2 ILE 34 OK 53 97 - 55 - 4.2/918=17, 2599/2.1=10...(14) HB3 LEU 21 - QG2 ILE 34 OK 21 95 - 22 - 2599/2.1=4, 2627/3.0=4...(9) Peak 2607 from cnoeabs.peaks (0.18, 0.50, 17.36 ppm; 2.88 A): 1 out of 2 assignments used, quality = 0.98: * QD1 ILE 34 + QG2 ILE 34 OK 98 100 - 98 - 3.0=92, 2.1/2611=28...(21) QD2 LEU 51 - QG2 ILE 34 OK 31 78 - 39 - 2600/2.1=7, 2614/3.2=5...(17) Peak 2608 from cnoeabs.peaks (8.59, 0.55, 26.43 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.96: * H ILE 34 + HG12 ILE 34 OK 96 100 - 96 - 4.6=64, 918/3.2=31...(13) H VAL 18 - HG12 ILE 34 OK 42 100 - 42 - 2615/1.8=10, 2622/2.1=10...(6) H GLY 86 - HG12 ILE 34 OK 12 63 - 20 - 2615/1.8=3, 2594/2.9=3...(10) H SER 29 - HG12 ILE 34 OK 10 73 - 14 - 2622/2.1=5, 2615/1.8=2...(5) Peak 2609 from cnoeabs.peaks (3.90, 0.55, 26.43 ppm; 3.96 A): 1 out of 13 assignments used, quality = 1.00: * HA ILE 34 + HG12 ILE 34 OK 100 100 - 100 - 4.0=97, 3.2/2611=36...(18) HD2 PRO 68 - HG12 ILE 34 OK 19 98 - 19 - 2616/1.8=3, 2623/2.1=3...(9) HD3 PRO 68 - HG12 ILE 34 OK 18 97 - 19 - 2616/1.8=3, 2623/2.1=3...(8) HA2 GLY 2 - HG12 ILE 34 OK 17 100 - 17 - 2616/1.8=3, 2623/2.1=3...(8) HA3 GLY 2 - HG12 ILE 34 OK 17 100 - 17 - 2616/1.8=3, 2623/2.1=3...(8) HA ARG 85 - HG12 ILE 34 OK 15 63 - 24 - 4279/2.9=3, 2616/1.8=2...(11) HB THR 95 - HG12 ILE 34 OK 10 93 - 11 - 2623/2.1=2, 2616/1.8=2...(6) HB2 SER 112 - HG12 ILE 34 lone 8 97 - 9 - 2616/1.8=1, 2623/2.1=1 HB3 SER 112 - HG12 ILE 34 lone 8 95 - 9 - 2616/1.8=1, 2623/2.1=1 HA ARG 53 - HG12 ILE 34 lone 8 90 - 9 - 2602/3.2=1, 2616/1.8=1 HA ALA 43 - HG12 ILE 34 lone 5 89 - 6 - HB THR 62 - HG12 ILE 34 lone 4 97 - 4 - HB3 ASN 79 - HG12 ILE 34 lone 3 83 - 4 - Peak 2610 from cnoeabs.peaks (1.65, 0.55, 26.43 ppm; 3.61 A): 3 out of 11 assignments used, quality = 1.00: * HB ILE 34 + HG12 ILE 34 OK 100 100 - 100 - 2.9=100 HG LEU 51 + HG12 ILE 34 OK 53 95 - 56 - 2.1/2614=10, 8630=9...(19) HG LEU 27 + HG12 ILE 34 OK 46 100 - 46 - 6560=8, 2.1/6528=7...(16) HG3 ARG 85 - HG12 ILE 34 OK 28 100 - 28 - 2617/1.8=3, 2624/2.1=3...(15) HB3 LYS 32 - HG12 ILE 34 OK 23 99 - 23 - 2617/1.8=3, 2624/2.1=3...(10) HB3 LEU 41 - HG12 ILE 34 OK 17 98 - 17 - 2624/2.1=2, 2617/1.8=2...(5) HG LEU 101 - HG12 ILE 34 OK 14 63 - 22 - 2.1/8153=6, 2.1/8154=5...(7) HB3 GLN 42 - HG12 ILE 34 OK 12 97 - 12 - 2624/2.1=2, 2617/1.8=1 HB2 LEU 59 - HG12 ILE 34 lone 3 76 - 4 - HD3 LYS 31 - HG12 ILE 34 lone 2 68 - 3 - HD2 LYS 31 - HG12 ILE 34 lone 2 68 - 3 - Peak 2611 from cnoeabs.peaks (0.50, 0.55, 26.43 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.97: * QG2 ILE 34 + HG12 ILE 34 OK 97 100 - 97 - 3.2=88, 2618/1.8=33...(14) Peak 2612 from cnoeabs.peaks (0.55, 0.55, 26.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 34 + HG12 ILE 34 OK 100 100 - 100 Peak 2613 from cnoeabs.peaks (1.06, 0.55, 26.43 ppm; 2.84 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 34 + HG12 ILE 34 OK 100 100 - 100 - 1.8=100 QG2 THR 33 - HG12 ILE 34 OK 34 97 - 36 - 4.2/919=7, 2627/2.1=6...(11) HB3 LEU 21 - HG12 ILE 34 OK 16 95 - 17 - 2627/2.1=3, 2599/2.9=2...(6) Peak 2614 from cnoeabs.peaks (0.18, 0.55, 26.43 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 34 + HG12 ILE 34 OK 100 100 - 100 - 2.1=100 QD2 LEU 51 - HG12 ILE 34 OK 39 78 - 50 - 2621/1.8=10, 2600/2.9=8...(16) Peak 2615 from cnoeabs.peaks (8.59, 1.06, 26.43 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.97: * H ILE 34 + HG13 ILE 34 OK 94 100 - 94 - 4.6=57, 918/3.2=28...(14) H VAL 18 + HG13 ILE 34 OK 40 100 - 40 - 2622/2.1=9, 2608/1.8=9...(6) H GLY 86 - HG13 ILE 34 OK 12 63 - 19 - 2608/1.8=3, 2594/2.9=3...(10) H SER 29 - HG13 ILE 34 poor 10 73 - 13 - 2622/2.1=5, 2608/1.8=2...(5) Peak 2616 from cnoeabs.peaks (3.90, 1.06, 26.43 ppm; 3.96 A): 1 out of 13 assignments used, quality = 1.00: * HA ILE 34 + HG13 ILE 34 OK 100 100 - 100 - 4.0=97, 3.2/2618=35...(17) HD2 PRO 68 - HG13 ILE 34 OK 18 98 - 18 - 2609/1.8=3, 2623/2.1=3...(9) HD3 PRO 68 - HG13 ILE 34 OK 18 97 - 18 - 2609/1.8=3, 2623/2.1=3...(8) HA2 GLY 2 - HG13 ILE 34 OK 17 100 - 17 - 2609/1.8=3, 2623/2.1=3...(8) HA3 GLY 2 - HG13 ILE 34 OK 17 100 - 17 - 2609/1.8=3, 2623/2.1=3...(8) HA ARG 85 - HG13 ILE 34 OK 15 63 - 24 - 4279/2.9=3, 3.0/8488=3...(11) HB THR 95 - HG13 ILE 34 poor 10 93 - 11 - 2623/2.1=2, 2609/1.8=2...(6) HB2 SER 112 - HG13 ILE 34 lone 9 97 - 9 - 2609/1.8=1, 2623/2.1=1 HB3 SER 112 - HG13 ILE 34 lone 8 95 - 9 - 2609/1.8=1, 2623/2.1=1 HA ARG 53 - HG13 ILE 34 lone 8 90 - 9 - 2602/3.2=1, 2609/1.8=1 HB THR 62 - HG13 ILE 34 lone 4 97 - 4 - HA ALA 43 - HG13 ILE 34 lone 4 89 - 4 - HB3 ASN 79 - HG13 ILE 34 lone 4 83 - 4 - Peak 2617 from cnoeabs.peaks (1.65, 1.06, 26.43 ppm; 3.55 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 34 + HG13 ILE 34 OK 100 100 - 100 - 2.9=100 HG LEU 51 + HG13 ILE 34 OK 46 95 - 49 - 2.1/2621=10, 8630/1.8=8...(16) HG LEU 27 - HG13 ILE 34 OK 38 100 - 39 - 6560/1.8=7, 2624/2.1=5...(15) HG3 ARG 85 - HG13 ILE 34 OK 26 100 - 26 - 2610/1.8=3, 2624/2.1=3...(14) HB3 LYS 32 - HG13 ILE 34 OK 24 99 - 25 - 4.7/914=4, 2624/2.1=3...(11) HB3 LEU 41 - HG13 ILE 34 OK 14 98 - 15 - 2624/2.1=2, 2610/1.8=2...(5) HG LEU 101 - HG13 ILE 34 OK 11 63 - 18 - ~8153=4, ~8154=4...(7) HB3 GLN 42 - HG13 ILE 34 OK 10 97 - 11 - 2624/2.1=1, 2610/1.8=1 HB2 LEU 59 - HG13 ILE 34 lone 2 76 - 3 - HD3 LYS 31 - HG13 ILE 34 lone 2 68 - 3 - HD2 LYS 31 - HG13 ILE 34 lone 2 68 - 3 - Peak 2618 from cnoeabs.peaks (0.50, 1.06, 26.43 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.98: * QG2 ILE 34 + HG13 ILE 34 OK 98 100 - 98 - 3.2=92, 2611/1.8=35...(14) Peak 2619 from cnoeabs.peaks (0.55, 1.06, 26.43 ppm; 2.78 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 34 + HG13 ILE 34 OK 100 100 - 100 - 1.8=100 QD2 LEU 45 - HG13 ILE 34 OK 30 100 - 30 - 2626/2.1=6, 2598/2.9=4...(14) QD2 LEU 77 - HG13 ILE 34 OK 10 78 - 13 - 2626/2.1=2, 2605/3.2=2...(6) QG1 VAL 50 - HG13 ILE 34 poor 9 90 - 10 - 2626/2.1=2, 2598/2.9=2...(4) Peak 2620 from cnoeabs.peaks (1.06, 1.06, 26.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 34 + HG13 ILE 34 OK 100 100 - 100 Peak 2621 from cnoeabs.peaks (0.18, 1.06, 26.43 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 34 + HG13 ILE 34 OK 100 100 - 100 - 2.1=100 QD2 LEU 51 - HG13 ILE 34 OK 37 78 - 47 - 2614/1.8=9, 2600/2.9=7...(16) Peak 2622 from cnoeabs.peaks (8.59, 0.18, 12.09 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.98: * H ILE 34 + QD1 ILE 34 OK 96 100 - 96 - 5.0=55, 918/3.0=34...(16) H VAL 18 + QD1 ILE 34 OK 60 100 - 60 - 4.0/8396=19, 4.0/6364=13...(8) H SER 29 - QD1 ILE 34 OK 32 73 - 44 - 4.8/6645=14, 4.8/6597=10...(12) H GLY 86 - QD1 ILE 34 OK 14 63 - 23 - 2615/2.1=3, 2608/2.1=3...(10) Peak 2623 from cnoeabs.peaks (3.90, 0.18, 12.09 ppm; 3.96 A): 1 out of 13 assignments used, quality = 0.99: * HA ILE 34 + QD1 ILE 34 OK 99 100 - 99 - 4.1=88, 2590/3.0=36...(18) HD2 PRO 68 - QD1 ILE 34 OK 18 98 - 19 - 2609/2.1=3, 2616/2.1=3...(8) HD3 PRO 68 - QD1 ILE 34 OK 18 97 - 19 - 2609/2.1=3, 2616/2.1=3...(8) HA2 GLY 2 - QD1 ILE 34 OK 17 100 - 17 - 2616/2.1=3, 2609/2.1=3...(9) HA3 GLY 2 - QD1 ILE 34 OK 17 100 - 17 - 2616/2.1=3, 2609/2.1=3...(9) HA ARG 85 - QD1 ILE 34 OK 15 63 - 24 - 3.0/6648=3, 3.0/6648=3...(11) HB THR 95 - QD1 ILE 34 OK 12 93 - 12 - 2.1/6651=2, 2602/3.0=2...(7) HB2 SER 112 - QD1 ILE 34 lone 9 97 - 9 - 2616/2.1=1, 2609/2.1=1 HB3 SER 112 - QD1 ILE 34 lone 9 95 - 9 - 2616/2.1=1, 2609/2.1=1 HA ARG 53 - QD1 ILE 34 lone 8 90 - 9 - 2602/3.0=1, 2616/2.1=1 HB THR 62 - QD1 ILE 34 lone 5 97 - 5 - HB3 ASN 79 - QD1 ILE 34 lone 4 83 - 5 - HA ALA 43 - QD1 ILE 34 lone 4 89 - 4 - Peak 2624 from cnoeabs.peaks (1.65, 0.18, 12.09 ppm; 3.35 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 34 + QD1 ILE 34 OK 100 100 - 100 - 3.2=100 HG LEU 51 + QD1 ILE 34 OK 46 95 - 49 - 8630/2.1=7, 2617/2.1=5...(17) HG LEU 27 - QD1 ILE 34 OK 37 100 - 37 - 6560/2.1=6, 2.1/6530=5...(12) HG3 ARG 85 - QD1 ILE 34 OK 24 100 - 25 - 2610/2.1=3, 2617/2.1=3...(12) HB3 LYS 32 - QD1 ILE 34 OK 23 99 - 23 - 3.0/6650=3, 2617/2.1=3...(9) HB3 LEU 41 - QD1 ILE 34 OK 16 98 - 16 - 6749/8396=2, 2610/2.1=2...(5) HG LEU 101 - QD1 ILE 34 OK 12 63 - 19 - 2.1/6651=4, ~8153=3...(6) HB3 GLN 42 - QD1 ILE 34 OK 11 97 - 12 - 2610/2.1=1, 2617/2.1=1...(4) HB2 LEU 59 - QD1 ILE 34 lone 3 76 - 3 - HD3 LYS 31 - QD1 ILE 34 lone 3 68 - 4 - 6.0/6628=1 HD2 LYS 31 - QD1 ILE 34 lone 3 68 - 4 - 6.0/6628=1 Peak 2625 from cnoeabs.peaks (0.50, 0.18, 12.09 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 34 + QD1 ILE 34 OK 100 100 - 100 - 3.0=100 Peak 2626 from cnoeabs.peaks (0.55, 0.18, 12.09 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 34 + QD1 ILE 34 OK 100 100 - 100 - 2.1=100 QD2 LEU 45 + QD1 ILE 34 OK 45 100 - 45 - 6842=9, 2619/2.1=8...(15) QD2 LEU 77 - QD1 ILE 34 OK 17 78 - 21 - 3.1/6650=4, 2605/3.0=3...(9) QG1 VAL 50 - QD1 ILE 34 OK 16 90 - 17 - 6842=3, 2619/2.1=2...(8) Peak 2627 from cnoeabs.peaks (1.06, 0.18, 12.09 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 34 + QD1 ILE 34 OK 100 100 - 100 - 2.1=100 QG2 THR 33 - QD1 ILE 34 OK 42 97 - 44 - 4.2/921=10, 2613/2.1=8...(10) HB3 LEU 21 - QD1 ILE 34 OK 20 95 - 21 - 2613/2.1=4, 2606/3.0=3...(11) Peak 2628 from cnoeabs.peaks (0.18, 0.18, 12.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 34 + QD1 ILE 34 OK 100 100 - 100 Peak 2629 from cnoeabs.peaks (4.38, 4.38, 58.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 35 + HA SER 35 OK 100 100 - 100 Peak 2630 from cnoeabs.peaks (3.86, 4.38, 58.91 ppm; 3.09 A): 1 out of 11 assignments used, quality = 1.00: * HB2 SER 35 + HA SER 35 OK 100 100 - 100 - 3.0=100 HA THR 33 - HA SER 35 OK 15 100 - 15 - 3.2/6619=7, 2632=4 HB THR 33 - HA SER 35 OK 15 100 - 15 - 2.1/6619=9, 3.0/2632=2 HB2 SER 13 - HA SER 35 lone 9 93 - 10 - 1.8/2631=3, 2632=2 HA LEU 77 - HA SER 35 lone 3 85 - 4 - HA THR 116 - HA SER 35 lone 2 65 - 4 - HA3 GLY 104 - HA SER 35 lone 2 100 - 2 - HB3 ASN 79 - HA SER 35 lone 2 65 - 3 - HA GLU 15 - HA SER 35 lone 1 99 - 1 - HA LYS 119 - HA SER 35 lone 1 73 - 2 - HA THR 19 - HA SER 35 lone 1 93 - 1 - Peak 2631 from cnoeabs.peaks (3.76, 4.38, 58.91 ppm; 3.10 A): 1 out of 11 assignments used, quality = 1.00: * HB3 SER 35 + HA SER 35 OK 100 100 - 100 - 3.0=100 HB3 SER 13 - HA SER 35 OK 10 99 - 10 - 2635=4, 1.8/2630=2 HA CYS 87 - HA SER 35 lone 3 100 - 3 - HD2 PRO 30 - HA SER 35 lone 2 99 - 2 - HA GLU 38 - HA SER 35 lone 2 100 - 2 - HA LEU 54 - HA SER 35 lone 1 97 - 1 - HA GLU 73 - HA SER 35 lone 1 92 - 1 - HB3 SER 90 - HA SER 35 lone 1 71 - 1 - HB2 SER 72 - HA SER 35 lone 0 87 - 1 - HB3 SER 74 - HA SER 35 lone 0 76 - 0 - HB2 SER 74 - HA SER 35 lone 0 73 - 0 - Peak 2632 from cnoeabs.peaks (4.38, 3.86, 63.16 ppm; 3.26 A): 1 out of 21 assignments used, quality = 1.00: * HA SER 35 + HB2 SER 35 OK 100 100 - 100 - 3.0=100 HA SER 35 - HA THR 33 OK 18 95 - 20 - 6656/3.2=9, 2630=5, 2630/3.0=3 HA GLN 105 - HA THR 33 OK 11 94 - 11 - 6619/3.2=4, 2.9/522=2 HA SER 35 - HB2 SER 13 OK 10 93 - 11 - 2631/1.8=3, 2630=3 HA CYS 76 - HB2 SER 35 lone 5 85 - 6 - 2635/1.8=1 HA LEU 93 - HB2 SER 35 lone 5 99 - 5 - 2635/1.8=2 HA CYS 76 - HB2 SER 13 lone 4 74 - 5 - 2635/1.8=1 HB THR 116 - HB2 SER 35 lone 3 100 - 3 - HB THR 116 - HA THR 33 lone 3 94 - 3 - HA CYS 76 - HA THR 33 lone 3 76 - 4 - HA GLN 105 - HB2 SER 35 lone 3 100 - 3 - HA LEU 93 - HB2 SER 13 lone 2 91 - 2 - HA MET 11 - HB2 SER 35 lone 1 97 - 1 - HB THR 116 - HB2 SER 13 lone 1 91 - 1 - HA LEU 93 - HA THR 33 lone 1 93 - 1 - HA ASP 100 - HB2 SER 35 lone 1 71 - 2 - HA GLN 105 - HB2 SER 13 lone 1 92 - 1 - HA ASP 100 - HA THR 33 lone 1 63 - 2 - HA MET 11 - HA THR 33 lone 1 90 - 1 - HA MET 11 - HB2 SER 13 lone 1 87 - 1 - HA ASP 100 - HB2 SER 13 lone 0 60 - 1 - Peak 2633 from cnoeabs.peaks (3.86, 3.86, 63.16 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 35 + HB2 SER 35 OK 100 100 - 100 HA THR 33 + HA THR 33 OK 94 94 - 100 HB2 SER 13 + HB2 SER 13 OK 82 82 - 100 Peak 2634 from cnoeabs.peaks (3.76, 3.86, 63.16 ppm; 2.40 A): 2 out of 33 assignments used, quality = 1.00: * HB3 SER 35 + HB2 SER 35 OK 100 100 - 100 - 1.8=100 HB3 SER 13 + HB2 SER 13 OK 91 91 - 100 - 1.8=100 HB3 SER 35 - HA THR 33 lone 7 95 - 8 - ~6619=2, 2636=1, 3.0/2630=1 HB3 SER 13 - HB2 SER 35 lone 7 99 - 7 - 2636=1, 2631/3.0=1 HB3 SER 35 - HB2 SER 13 lone 7 93 - 7 - 2636=1 HA GLU 38 - HB2 SER 13 lone 5 93 - 6 - 24/4.5=2 HD2 PRO 30 - HA THR 33 lone 5 92 - 5 - HD2 PRO 30 - HB2 SER 13 lone 3 89 - 4 - HA LEU 54 - HA THR 33 lone 2 89 - 3 - HA GLU 38 - HA THR 33 lone 2 95 - 2 - HB3 SER 13 - HA THR 33 lone 2 93 - 2 - HD2 PRO 30 - HB2 SER 35 lone 2 99 - 2 - HA LEU 54 - HB2 SER 13 lone 2 86 - 2 - HA CYS 87 - HB2 SER 13 lone 2 92 - 2 - HA CYS 87 - HB2 SER 35 lone 2 100 - 1 - HA GLU 38 - HB2 SER 35 lone 1 100 - 1 - HA GLU 73 - HB2 SER 13 lone 1 81 - 1 - HA LEU 54 - HB2 SER 35 lone 1 97 - 1 - HA GLU 73 - HB2 SER 35 lone 1 92 - 1 - HB2 SER 72 - HB2 SER 13 lone 0 76 - 1 - HB3 SER 90 - HB2 SER 35 lone 0 71 - 1 - HA CYS 87 - HA THR 33 lone 0 95 - 0 - HB3 SER 74 - HA THR 33 lone 0 67 - 1 - HB2 SER 74 - HA THR 33 lone 0 65 - 1 - HB3 SER 74 - HB2 SER 13 lone 0 65 - 1 - HB2 SER 74 - HB2 SER 13 lone 0 63 - 1 - HB2 SER 72 - HB2 SER 35 lone 0 87 - 0 - HA GLU 73 - HA THR 33 lone 0 84 - 0 - HB3 SER 90 - HB2 SER 13 lone 0 60 - 0 - HB3 SER 74 - HB2 SER 35 lone 0 76 - 0 - HB2 SER 72 - HA THR 33 lone 0 78 - 0 - HB2 SER 74 - HB2 SER 35 lone 0 73 - 0 - HB3 SER 90 - HA THR 33 lone 0 63 - 0 - Peak 2635 from cnoeabs.peaks (4.38, 3.76, 63.16 ppm; 2.98 A): 1 out of 14 assignments used, quality = 0.95: * HA SER 35 + HB3 SER 35 OK 95 100 - 95 - 3.0=95 HA SER 35 - HB3 SER 13 lone 10 99 - 10 - 2631=4, 2630/1.8=2 HA LEU 93 - HB3 SER 35 lone 5 99 - 5 - 3.8/6290=1 HA CYS 76 - HB3 SER 35 lone 4 85 - 5 - HA CYS 76 - HB3 SER 13 lone 4 82 - 4 - HA LEU 93 - HB3 SER 13 lone 3 98 - 3 - HB THR 116 - HB3 SER 35 lone 2 100 - 2 - HA GLN 105 - HB3 SER 35 lone 2 100 - 2 - HB THR 116 - HB3 SER 13 lone 1 98 - 1 - HA MET 11 - HB3 SER 35 lone 1 97 - 1 - HA GLN 105 - HB3 SER 13 lone 1 99 - 1 - HA ASP 100 - HB3 SER 35 lone 1 71 - 1 - HA ASP 100 - HB3 SER 13 lone 0 68 - 1 - HA MET 11 - HB3 SER 13 lone 0 95 - 0 - Peak 2636 from cnoeabs.peaks (3.86, 3.76, 63.16 ppm; 2.40 A): 2 out of 22 assignments used, quality = 1.00: * HB2 SER 35 + HB3 SER 35 OK 100 100 - 100 - 1.8=100 HB2 SER 13 + HB3 SER 13 OK 91 91 - 100 - 1.8=100 HB THR 33 - HB3 SER 35 lone 9 100 - 9 - ~6619=2, ~6656=2, 2630/3.0=1 HB2 SER 35 - HB3 SER 13 lone 7 99 - 7 - 2634=1, 3.0/2631=1 HA THR 33 - HB3 SER 35 lone 7 100 - 7 - ~6619=2, 2634=1, 2630/3.0=1 HB2 SER 13 - HB3 SER 35 lone 7 93 - 7 - 1893=1 HA GLU 15 - HB3 SER 13 lone 4 97 - 4 - 23/4.5=1 HA THR 33 - HB3 SER 13 lone 2 99 - 2 - HA LEU 77 - HB3 SER 35 lone 2 85 - 2 - HB THR 33 - HB3 SER 13 lone 1 98 - 1 - HA THR 19 - HB3 SER 13 lone 1 91 - 1 - HA3 GLY 104 - HB3 SER 35 lone 1 100 - 1 - HA LEU 77 - HB3 SER 13 lone 1 82 - 1 - HA GLU 15 - HB3 SER 35 lone 1 99 - 1 - HA THR 116 - HB3 SER 35 lone 1 65 - 1 - HB3 ASN 79 - HB3 SER 13 lone 1 63 - 1 - HA THR 19 - HB3 SER 35 lone 1 93 - 1 - HB3 ASN 79 - HB3 SER 35 lone 1 65 - 1 - HA3 GLY 104 - HB3 SER 13 lone 1 99 - 1 - HA THR 116 - HB3 SER 13 lone 1 63 - 1 - HA LYS 119 - HB3 SER 35 lone 0 73 - 1 - HA LYS 119 - HB3 SER 13 lone 0 71 - 0 - Peak 2637 from cnoeabs.peaks (3.76, 3.76, 63.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 35 + HB3 SER 35 OK 100 100 - 100 HB3 SER 13 + HB3 SER 13 OK 98 98 - 100 Peak 2638 from cnoeabs.peaks (7.88, 5.10, 50.31 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + HA ASP 36 OK 100 100 - 100 - 2.9=100 H GLN 103 - HA ASP 36 OK 31 90 - 34 - 3.6/6664=8, 2646/3.0=7...(7) H GLY 88 - HA ASP 36 lone 8 87 - 9 - 1705/3.8=2, 2642/3.0=2 Peak 2639 from cnoeabs.peaks (5.10, 5.10, 50.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + HA ASP 36 OK 100 100 - 100 Peak 2640 from cnoeabs.peaks (2.84, 5.10, 50.31 ppm; 4.44 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASP 36 + HA ASP 36 OK 100 100 - 100 - 3.0=100 HB2 ASN 79 - HA ASP 36 OK 12 100 - 12 - ~8490=2, 2648/3.0=2...(5) HB3 TYR 67 - HA ASP 36 OK 11 100 - 11 - 2648/3.0=2, 924/2.9=2...(6) HB2 TYR 67 - HA ASP 36 OK 11 100 - 11 - 2648/3.0=2, 924/2.9=2...(6) HB2 ASN 99 - HA ASP 36 lone 9 100 - 9 - ~6184=3, 924/2.9=2...(4) HB2 CYS 76 - HA ASP 36 poor 9 78 - 12 - 4.7/6659=2, 6695/3.8=2...(6) HB3 PHE 107 - HA ASP 36 lone 5 100 - 5 - HE3 LYS 119 - HA ASP 36 lone 3 81 - 3 - HE2 LYS 119 - HA ASP 36 lone 3 78 - 3 - HG CYS 52 - HA ASP 36 lone 3 97 - 3 - Peak 2641 from cnoeabs.peaks (2.55, 5.10, 50.31 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 36 + HA ASP 36 OK 100 100 - 100 - 3.0=100 HE3 LYS 46 - HA ASP 36 OK 15 97 - 16 - 6694/3.8=4, 925/2.9=3...(4) HE2 LYS 65 - HA ASP 36 lone 6 93 - 7 - 6697/3.8=2, 6694/3.8=2...(4) Peak 2642 from cnoeabs.peaks (7.88, 2.84, 40.61 ppm; 5.25 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + HB2 ASP 36 OK 100 100 - 100 - 4.0=100 H GLN 103 - HB2 ASP 36 OK 30 90 - 33 - 2646/1.8=9, 2638/3.0=8...(6) H GLY 88 - HB2 ASP 36 lone 8 87 - 9 - 2646/1.8=2, 2638/3.0=2 Peak 2643 from cnoeabs.peaks (5.10, 2.84, 40.61 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + HB2 ASP 36 OK 100 100 - 100 - 3.0=100 Peak 2644 from cnoeabs.peaks (2.84, 2.84, 40.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 Peak 2645 from cnoeabs.peaks (2.55, 2.84, 40.61 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 36 + HB2 ASP 36 OK 100 100 - 100 - 1.8=100 HE3 LYS 46 - HB2 ASP 36 lone 9 97 - 9 - 2641/3.0=2, 6694/4.8=2...(4) HE2 LYS 65 - HB2 ASP 36 lone 3 93 - 4 - Peak 2646 from cnoeabs.peaks (7.88, 2.55, 40.61 ppm; 5.06 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + HB3 ASP 36 OK 100 100 - 100 - 4.0=100 H GLN 103 - HB3 ASP 36 OK 28 90 - 31 - 2642/1.8=8, 3.6/6670=8...(6) H GLY 88 - HB3 ASP 36 lone 7 87 - 8 - 2642/1.8=2, 2638/3.0=2 Peak 2647 from cnoeabs.peaks (5.10, 2.55, 40.61 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + HB3 ASP 36 OK 100 100 - 100 - 3.0=100 Peak 2648 from cnoeabs.peaks (2.84, 2.55, 40.61 ppm; 2.99 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASP 36 + HB3 ASP 36 OK 100 100 - 100 - 1.8=100 HB2 ASN 79 - HB3 ASP 36 lone 6 100 - 6 - 3.5/8490=2 HB3 TYR 67 - HB3 ASP 36 lone 6 100 - 6 - HB2 TYR 67 - HB3 ASP 36 lone 6 100 - 6 - HB2 CYS 76 - HB3 ASP 36 lone 4 78 - 5 - 4.7/8491=1 HB2 ASN 99 - HB3 ASP 36 lone 3 100 - 3 - HB3 PHE 107 - HB3 ASP 36 lone 2 100 - 2 - HE3 LYS 119 - HB3 ASP 36 lone 1 81 - 1 - HG CYS 52 - HB3 ASP 36 lone 1 97 - 1 - HE2 LYS 119 - HB3 ASP 36 lone 1 78 - 1 - Peak 2649 from cnoeabs.peaks (2.55, 2.55, 40.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 Peak 2650 from cnoeabs.peaks (4.14, 3.43, 50.16 ppm; 4.24 A): 1 out of 14 assignments used, quality = 1.00: * HA PRO 37 + HD2 PRO 37 OK 100 100 - 100 - 3.6=100 HA GLU 28 - HD2 PRO 37 OK 32 92 - 34 - 2657/1.8=4, 2685/2.3=4...(15) HA GLU 56 - HD2 PRO 37 OK 28 68 - 41 - 2657/1.8=4, 3.0/2654=4...(21) HA ILE 63 - HD2 PRO 37 OK 21 100 - 21 - 2657/1.8=3, 2685/2.3=3...(8) HA ARG 57 - HD2 PRO 37 OK 21 60 - 35 - ~1637=4, 2657/1.8=3...(16) HA ALA 98 - HD2 PRO 37 OK 11 99 - 11 - 2685/2.3=2, 2657/1.8=2...(7) HB3 SER 78 - HD2 PRO 37 poor 10 90 - 11 - 2657/1.8=1, 2685/2.3=1...(4) HA PHE 83 - HD2 PRO 37 lone 9 100 - 9 - 2657/1.8=1, 2685/2.3=1 HB3 SER 72 - HD2 PRO 37 lone 8 100 - 8 - ~7286=2, 2685/2.3=1, 2657/1.8=1 HA SER 78 - HD2 PRO 37 lone 7 71 - 9 - 7449/2.3=1 HA ILE 124 - HD2 PRO 37 lone 6 100 - 6 - HA ASN 108 - HD2 PRO 37 lone 6 100 - 6 - 2657/1.8=1 HB2 SER 113 - HD2 PRO 37 lone 4 97 - 4 - HA3 GLY 25 - HD2 PRO 37 lone 1 60 - 2 - Peak 2651 from cnoeabs.peaks (1.79, 3.43, 50.16 ppm; 4.27 A): 3 out of 14 assignments used, quality = 1.00: * HB2 PRO 37 + HD2 PRO 37 OK 100 100 - 100 - 3.0=100 HB2 PRO 60 + HD2 PRO 37 OK 73 89 - 82 - 2.3/2697=13, 2676=12...(40) HB3 GLU 56 + HD2 PRO 37 OK 49 99 - 49 - 1.8/2654=5, 2686/2.3=5...(25) HB2 GLU 75 - HD2 PRO 37 OK 41 97 - 43 - ~6682=4, 2686/2.3=4...(19) HB2 LEU 117 - HD2 PRO 37 OK 31 95 - 33 - 5140/3.0=3, 2686/2.3=3...(15) HB3 ARG 57 - HD2 PRO 37 OK 29 68 - 43 - 1.8/2654=3, 2686/2.3=3...(23) HB2 LYS 32 - HD2 PRO 37 OK 23 100 - 23 - ~6677=3, ~6683=2...(12) HG LEU 117 - HD2 PRO 37 OK 21 73 - 29 - 3.0/2652=2, 2686/2.3=2...(16) HG2 GLU 75 - HD2 PRO 37 OK 20 65 - 31 - ~6682=3, ~3974=2...(20) HD3 LYS 109 - HD2 PRO 37 OK 18 81 - 22 - ~4921=2, 4941/1.8=2...(8) HD2 LYS 109 - HD2 PRO 37 OK 16 73 - 22 - ~4921=2, 4941/1.8=2...(9) HG3 PRO 30 - HD2 PRO 37 lone 5 76 - 7 - 6635/6687=2 HB3 ARG 92 - HD2 PRO 37 lone 2 83 - 3 - HG2 GLN 42 - HD2 PRO 37 lone 2 65 - 3 - Peak 2652 from cnoeabs.peaks (2.21, 3.43, 50.16 ppm; 3.51 A): 2 out of 14 assignments used, quality = 1.00: * HB3 PRO 37 + HD2 PRO 37 OK 100 100 - 100 - 3.0=100 HG2 PRO 37 + HD2 PRO 37 OK 95 95 - 100 - 2.3=100 HB VAL 26 - HD2 PRO 37 OK 26 83 - 31 - 2683=5, 2660/1.8=4...(14) HB2 PRO 70 - HD2 PRO 37 OK 22 60 - 36 - ~8256=4, 2.3/2654=3...(18) HG2 GLU 38 - HD2 PRO 37 OK 20 71 - 29 - 5.0/150=9, 3.0/2654=3...(12) HG3 GLU 38 - HD2 PRO 37 OK 19 68 - 29 - 5.0/150=9, 3.0/2654=3...(12) HB3 LEU 117 - HD2 PRO 37 OK 18 87 - 21 - 2659/1.8=2, 1.8/2651=2...(9) HG2 GLU 28 - HD2 PRO 37 OK 13 92 - 14 - 4.0/2650=2, 5.1/5541=2...(4) HG3 GLU 28 - HD2 PRO 37 OK 12 89 - 14 - 4.0/2650=2, 5.1/5541=2...(4) HB VAL 49 - HD2 PRO 37 OK 10 63 - 16 - 2660/1.8=2, ~3039=2...(10) HB2 GLU 73 - HD2 PRO 37 lone 5 71 - 6 - HB2 PRO 68 - HD2 PRO 37 lone 3 85 - 4 - HG3 GLU 64 - HD2 PRO 37 lone 3 78 - 3 - HG2 GLU 94 - HD2 PRO 37 lone 2 73 - 2 - Peak 2653 from cnoeabs.peaks (2.20, 3.43, 50.16 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HG2 PRO 37 + HD2 PRO 37 OK 100 100 - 100 - 2.3=100 HB3 PRO 37 + HD2 PRO 37 OK 95 95 - 100 - 3.0=100 HB VAL 26 - HD2 PRO 37 OK 31 99 - 31 - 2683=4, 2660/1.8=4...(14) HB VAL 49 - HD2 PRO 37 OK 15 92 - 16 - 2660/1.8=2, ~3039=2...(9) HG2 GLU 28 - HD2 PRO 37 poor 8 63 - 13 - 4.0/2650=2, 5.1/5541=2...(4) HG3 GLU 28 - HD2 PRO 37 poor 7 57 - 13 - 4.0/2650=2, 5.1/5541=2 HB2 GLU 73 - HD2 PRO 37 lone 6 96 - 6 - Peak 2654 from cnoeabs.peaks (2.05, 3.43, 50.16 ppm; 3.50 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 37 + HD2 PRO 37 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HD2 PRO 37 OK 69 100 - 70 - 2697=14, 2689/2.3=8...(36) HB3 GLU 38 - HD2 PRO 37 OK 38 97 - 39 - 3.8/150=13, ~6706=4...(15) HG3 PRO 70 - HD2 PRO 37 OK 36 98 - 37 - ~8256=4, 2689/2.3=4...(16) HB2 GLU 56 - HD2 PRO 37 OK 35 97 - 36 - 2661/1.8=4, 2689/2.3=4...(21) HB2 ARG 57 - HD2 PRO 37 OK 25 78 - 31 - 2661/1.8=3, 2689/2.3=3...(14) HB ILE 63 - HD2 PRO 37 OK 16 93 - 17 - 3.0/2650=2, 2661/1.8=2...(7) HB3 ARG 53 - HD2 PRO 37 OK 11 60 - 18 - ~8432=3, ~6068=2...(9) HB2 GLN 16 - HD2 PRO 37 poor 7 60 - 12 - 3.0/2656=2 HB3 ARG 81 - HD2 PRO 37 lone 6 100 - 6 - HG2 GLU 64 - HD2 PRO 37 lone 3 78 - 4 - HB2 GLN 105 - HD2 PRO 37 lone 1 65 - 2 - Peak 2655 from cnoeabs.peaks (3.43, 3.43, 50.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 37 + HD2 PRO 37 OK 100 100 - 100 Peak 2656 from cnoeabs.peaks (4.04, 3.43, 50.16 ppm; 2.98 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 37 + HD2 PRO 37 OK 100 100 - 100 - 1.8=100 HA ALA 14 - HD2 PRO 37 OK 22 78 - 28 - 2691/2.3=4, ~6307=3...(15) HA TYR 102 - HD2 PRO 37 OK 18 100 - 18 - 5838/4.8=3, 6664/3.8=3...(11) HA SER 44 - HD2 PRO 37 OK 14 73 - 19 - 2867=2, 2691/2.3=2...(9) HA LYS 109 - HD2 PRO 37 OK 13 98 - 13 - 2691/2.3=2, 2698/2.3=1...(6) HA GLN 16 - HD2 PRO 37 lone 9 97 - 9 - 2691/2.3=1 HA LEU 55 - HD2 PRO 37 lone 8 95 - 8 - 2691/2.3=1 HA SER 112 - HD2 PRO 37 lone 4 92 - 5 - Peak 2657 from cnoeabs.peaks (4.14, 4.04, 50.16 ppm; 4.38 A): 1 out of 14 assignments used, quality = 1.00: * HA PRO 37 + HD3 PRO 37 OK 100 100 - 100 - 3.6=100 HA GLU 28 - HD3 PRO 37 OK 34 92 - 37 - 2650/1.8=5, 2685/2.3=4...(15) HA GLU 56 - HD3 PRO 37 OK 32 68 - 47 - 3.6/1637=5, 2650/1.8=4...(22) HA ILE 63 - HD3 PRO 37 OK 24 100 - 24 - 2650/1.8=3, 2685/2.3=3...(8) HA ARG 57 - HD3 PRO 37 OK 24 60 - 39 - 3.0/1637=6, 2650/1.8=3...(18) HA ALA 98 - HD3 PRO 37 OK 14 99 - 14 - 2685/2.3=2, 2650/1.8=2...(7) HB3 SER 78 - HD3 PRO 37 OK 11 90 - 12 - 2650/1.8=1, 2685/2.3=1...(4) HA ASN 108 - HD3 PRO 37 lone 10 100 - 10 - 3.6/1323=3 HA PHE 83 - HD3 PRO 37 lone 10 100 - 10 - 2650/1.8=1, 2685/2.3=1...(4) HB3 SER 72 - HD3 PRO 37 lone 9 100 - 9 - ~7286=2, 2685/2.3=1, 2650/1.8=1 HA ILE 124 - HD3 PRO 37 lone 7 100 - 7 - HA SER 78 - HD3 PRO 37 poor 7 71 - 10 - 7449/2.3=1, 2650/1.8=1 HB2 SER 113 - HD3 PRO 37 lone 7 97 - 7 - HA3 GLY 25 - HD3 PRO 37 lone 1 60 - 2 - Peak 2658 from cnoeabs.peaks (1.79, 4.04, 50.16 ppm; 4.40 A): 3 out of 14 assignments used, quality = 1.00: * HB2 PRO 37 + HD3 PRO 37 OK 100 100 - 100 - 3.0=100 HB2 PRO 60 + HD3 PRO 37 OK 74 89 - 83 - 2676/1.8=10, ~2697=9...(40) HB3 GLU 56 + HD3 PRO 37 OK 54 99 - 55 - 1.8/2661=5, 2686/2.3=5...(27) HB2 GLU 75 - HD3 PRO 37 OK 44 97 - 46 - ~6682=4, 2686/2.3=4...(21) HB2 LEU 117 - HD3 PRO 37 OK 34 95 - 36 - 5140/3.0=4, 2686/2.3=3...(17) HB3 ARG 57 - HD3 PRO 37 OK 33 68 - 49 - 3.7/1637=5, 1.8/2661=4...(31) HD3 LYS 109 - HD3 PRO 37 OK 25 81 - 31 - 3.0/4921=4, 3.9/4891=3...(12) HB2 LYS 32 - HD3 PRO 37 OK 25 100 - 25 - ~6677=3, ~6683=3...(12) HG LEU 117 - HD3 PRO 37 OK 23 73 - 31 - 3.0/2659=2, 2651/1.8=2...(17) HD2 LYS 109 - HD3 PRO 37 OK 23 73 - 31 - 3.0/4921=4, 3.9/4891=3...(13) HG2 GLU 75 - HD3 PRO 37 OK 21 65 - 33 - ~6682=3, ~3974=2...(20) HG3 PRO 30 - HD3 PRO 37 lone 7 76 - 9 - 6635/6696=2 HB3 ARG 92 - HD3 PRO 37 lone 3 83 - 3 - HG2 GLN 42 - HD3 PRO 37 lone 2 65 - 4 - Peak 2659 from cnoeabs.peaks (2.21, 4.04, 50.16 ppm; 3.54 A): 2 out of 14 assignments used, quality = 1.00: * HB3 PRO 37 + HD3 PRO 37 OK 100 100 - 100 - 3.0=100 HG2 PRO 37 + HD3 PRO 37 OK 95 95 - 100 - 2.3=100 HB VAL 26 - HD3 PRO 37 OK 25 83 - 31 - 2683/1.8=4, ~2259=3...(14) HB2 PRO 70 - HD3 PRO 37 OK 22 60 - 37 - ~8256=4, 2.3/2661=3...(18) HG2 GLU 38 - HD3 PRO 37 OK 22 71 - 31 - 5.0/151=5, 4.0/6706=5...(15) HG3 GLU 38 - HD3 PRO 37 OK 21 68 - 31 - 5.0/151=5, 4.0/6706=5...(15) HB3 LEU 117 - HD3 PRO 37 OK 19 87 - 22 - 2652/1.8=2, 1.8/2658=2...(8) HG2 GLU 28 - HD3 PRO 37 OK 13 92 - 14 - 4.0/2657=2, 5.1/5542=2...(4) HG3 GLU 28 - HD3 PRO 37 OK 12 89 - 14 - 4.0/2657=2, 5.1/5542=2...(4) HB VAL 49 - HD3 PRO 37 OK 10 63 - 17 - 2653/1.8=2, ~3039=2...(9) HB2 GLU 73 - HD3 PRO 37 lone 5 71 - 7 - HB2 PRO 68 - HD3 PRO 37 lone 4 85 - 4 - HG3 GLU 64 - HD3 PRO 37 lone 3 78 - 4 - HG2 GLU 94 - HD3 PRO 37 lone 2 73 - 2 - Peak 2660 from cnoeabs.peaks (2.20, 4.04, 50.16 ppm; 3.45 A): 2 out of 7 assignments used, quality = 1.00: * HG2 PRO 37 + HD3 PRO 37 OK 100 100 - 100 - 2.3=100 HB3 PRO 37 + HD3 PRO 37 OK 95 95 - 100 - 3.0=100 HB VAL 26 - HD3 PRO 37 OK 29 99 - 30 - 2653/1.8=4, ~2259=3...(14) HB VAL 49 - HD3 PRO 37 OK 15 92 - 16 - 2653/1.8=2, ~3039=2...(9) HG2 GLU 28 - HD3 PRO 37 poor 8 63 - 13 - 4.0/2657=2, 5.1/5542=2...(4) HG3 GLU 28 - HD3 PRO 37 poor 7 57 - 13 - 4.0/2657=2, 5.1/5542=2...(4) HB2 GLU 73 - HD3 PRO 37 lone 6 96 - 7 - Peak 2661 from cnoeabs.peaks (2.05, 4.04, 50.16 ppm; 3.60 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 37 + HD3 PRO 37 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HD3 PRO 37 OK 70 100 - 71 - 2697/1.8=11, 2689/2.3=8...(36) HB2 GLU 56 - HD3 PRO 37 OK 40 97 - 41 - 2654/1.8=4, 2689/2.3=4...(23) HG3 PRO 70 - HD3 PRO 37 OK 38 98 - 39 - ~8256=4, 2654/1.8=4...(16) HB3 GLU 38 - HD3 PRO 37 OK 37 97 - 38 - 3.8/151=8, 3.0/6706=6...(14) HB2 ARG 57 - HD3 PRO 37 OK 28 78 - 36 - 3.7/1637=3, 2654/1.8=3...(17) HB ILE 63 - HD3 PRO 37 OK 17 93 - 18 - 3.0/2657=2, 2654/1.8=2...(8) HB3 ARG 53 - HD3 PRO 37 OK 12 60 - 20 - ~8432=3, ~6068=2...(10) HB2 GLN 16 - HD3 PRO 37 poor 10 60 - 16 - 3.0/1967=2, 4.0/811=2...(5) HB3 ARG 81 - HD3 PRO 37 lone 7 100 - 7 - HG2 GLU 64 - HD3 PRO 37 lone 3 78 - 4 - HB2 GLN 105 - HD3 PRO 37 lone 1 65 - 2 - Peak 2662 from cnoeabs.peaks (3.43, 4.04, 50.16 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 37 + HD3 PRO 37 OK 100 100 - 100 - 1.8=100 HB2 SER 44 - HD3 PRO 37 OK 13 65 - 19 - 2690/2.3=3, 2697/2.3=2...(10) HA2 GLY 86 - HD3 PRO 37 poor 9 76 - 12 - 2690/2.3=2, 2669/3.6=2...(6) Peak 2663 from cnoeabs.peaks (4.04, 4.04, 50.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 37 + HD3 PRO 37 OK 100 100 - 100 Peak 2664 from cnoeabs.peaks (4.14, 4.14, 65.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 37 + HA PRO 37 OK 100 100 - 100 Peak 2665 from cnoeabs.peaks (1.79, 4.14, 65.35 ppm; 3.59 A): 2 out of 14 assignments used, quality = 1.00: * HB2 PRO 37 + HA PRO 37 OK 100 100 - 100 - 2.3=100 HB2 PRO 60 + HA PRO 37 OK 52 89 - 58 - 3.0/6000=10, 2.3/2668=5...(28) HB2 GLU 75 - HA PRO 37 OK 35 97 - 36 - 3.0/6096=4, 3958/2.3=3...(20) HB3 GLU 56 - HA PRO 37 OK 33 99 - 34 - 1.8/2668=3, 2679/2.3=3...(18) HB2 LYS 32 - HA PRO 37 OK 24 100 - 24 - 3.0/6672=3, ~6677=2...(12) HB2 LEU 117 - HA PRO 37 OK 22 95 - 23 - 5140/2.3=3, 1.8/2666=2...(9) HB3 ARG 57 - HA PRO 37 OK 21 68 - 30 - 1.8/2668=2, 3.0/6671=2...(16) HG2 GLU 75 - HA PRO 37 OK 17 65 - 26 - 3.6/6096=3, 3.0/6671=3...(13) HG LEU 117 - HA PRO 37 OK 14 73 - 19 - 3.0/2666=2, 5154/2.3=2...(6) HD3 LYS 109 - HA PRO 37 poor 9 81 - 11 - 5.2/2670=1, 4941/3.6=1 HG3 PRO 30 - HA PRO 37 poor 8 76 - 10 - 6635/6673=2, 6601/6674=2 HD2 LYS 109 - HA PRO 37 poor 8 73 - 10 - 5.2/2670=1, 4941/3.6=1 HB3 ARG 92 - HA PRO 37 lone 4 83 - 5 - 4.2/6699=2 HG2 GLN 42 - HA PRO 37 lone 2 65 - 3 - Peak 2666 from cnoeabs.peaks (2.21, 4.14, 65.35 ppm; 3.26 A): 2 out of 14 assignments used, quality = 1.00: * HB3 PRO 37 + HA PRO 37 OK 100 100 - 100 - 2.3=100 HG2 PRO 37 + HA PRO 37 OK 67 95 - 71 - 3.8=61, 6691/4.8=10...(4) HB VAL 26 - HA PRO 37 OK 21 83 - 26 - 2678=3, 2683/3.6=3...(13) HB3 LEU 117 - HA PRO 37 OK 15 87 - 18 - 1.8/2665=2, 5146/2.3=2...(5) HG2 GLU 28 - HA PRO 37 OK 15 92 - 16 - 3.0/2311=2, 3.0/2317=2...(5) HG3 GLU 28 - HA PRO 37 OK 14 89 - 16 - 3.0/2311=2, 3.0/2317=2...(5) HB2 PRO 70 - HA PRO 37 OK 13 60 - 22 - ~8255=2, ~8254=2...(11) HG2 GLU 38 - HA PRO 37 OK 13 71 - 18 - 930/3.6=3, 4.9/5996=3...(6) HG3 GLU 38 - HA PRO 37 OK 12 68 - 18 - 930/3.6=3, 4.9/5996=3...(6) HB VAL 49 - HA PRO 37 poor 7 63 - 11 - 2674/2.3=1, 2660/3.6=1 HB2 GLU 73 - HA PRO 37 lone 5 71 - 7 - HG3 GLU 64 - HA PRO 37 lone 4 78 - 5 - HB2 PRO 68 - HA PRO 37 lone 3 85 - 4 - HG2 GLU 94 - HA PRO 37 lone 2 73 - 3 - Peak 2667 from cnoeabs.peaks (2.20, 4.14, 65.35 ppm; 3.34 A): 2 out of 7 assignments used, quality = 0.99: HB3 PRO 37 + HA PRO 37 OK 95 95 - 100 - 2.3=100 * HG2 PRO 37 + HA PRO 37 OK 75 100 - 75 - 3.8=65, 6691/4.8=11...(4) HB VAL 26 - HA PRO 37 OK 27 99 - 27 - 2674/2.3=3, 2678=3...(13) HB VAL 49 - HA PRO 37 OK 12 92 - 12 - 2674/2.3=1, 2660/3.6=1...(5) HG2 GLU 28 - HA PRO 37 poor 10 63 - 16 - 3.0/2311=2, 3.0/2317=2...(5) HG3 GLU 28 - HA PRO 37 poor 9 57 - 16 - 3.0/2311=2, 3.0/2317=2...(5) HB2 GLU 73 - HA PRO 37 lone 7 96 - 7 - Peak 2668 from cnoeabs.peaks (2.05, 4.14, 65.35 ppm; 4.00 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 37 + HA PRO 37 OK 100 100 - 100 - 3.8=100 HG3 PRO 60 + HA PRO 37 OK 67 100 - 67 - 2.3/6000=14, 2697/3.6=9...(23) HB3 GLU 38 - HA PRO 37 OK 38 97 - 39 - 2711/3.6=10, 4.4/5996=5...(16) HB2 GLU 56 - HA PRO 37 OK 36 97 - 37 - 1.8/2665=4, 3270/2.3=3...(18) HG3 PRO 70 - HA PRO 37 OK 33 98 - 34 - ~8255=4, ~8254=4...(15) HB2 ARG 57 - HA PRO 37 OK 27 78 - 35 - 2711/3.6=3, 3.0/6671=3...(19) HB ILE 63 - HA PRO 37 OK 25 93 - 27 - 3506=3, 2.1/3513=3...(16) HB3 ARG 53 - HA PRO 37 OK 12 60 - 20 - ~8432=4, ~6068=3...(7) HB3 ARG 81 - HA PRO 37 lone 10 100 - 9 - HG2 GLU 64 - HA PRO 37 lone 6 78 - 8 - 929/3.6=1, 5.0/293=1 HB2 GLN 16 - HA PRO 37 lone 5 60 - 9 - 3.0/2670=1 HB2 GLN 105 - HA PRO 37 lone 3 65 - 5 - 4.0/5996=1 Peak 2669 from cnoeabs.peaks (3.43, 4.14, 65.35 ppm; 4.54 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 37 + HA PRO 37 OK 100 100 - 100 - 3.6=100 HA2 GLY 86 - HA PRO 37 OK 22 76 - 29 - 3.0/1697=5, 2676/2.3=4...(10) HB2 SER 44 - HA PRO 37 OK 19 65 - 29 - 2676/2.3=5, 2690/3.8=5...(11) Peak 2670 from cnoeabs.peaks (4.04, 4.14, 65.35 ppm; 4.50 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 37 + HA PRO 37 OK 100 100 - 100 - 3.6=100 HA ALA 14 - HA PRO 37 OK 41 78 - 53 - ~6307=11, 151/3.6=6...(15) HA LYS 109 - HA PRO 37 OK 28 98 - 28 - 3.0/545=3, 2677/2.3=3...(11) HA TYR 102 - HA PRO 37 OK 28 100 - 28 - 2.9/5997=5, 6664/4.8=4...(9) HA LEU 55 - HA PRO 37 OK 22 95 - 23 - 151/3.6=3, 3.0/5996=2...(10) HA SER 44 - HA PRO 37 OK 17 73 - 24 - 3.0/2669=4, 2656/3.6=3...(10) HA GLN 16 - HA PRO 37 OK 15 97 - 16 - 2677/2.3=2, 2691/3.8=2...(7) HA SER 112 - HA PRO 37 OK 12 92 - 13 - 3.0/1756=3, 151/3.6=1...(4) Peak 2671 from cnoeabs.peaks (4.14, 1.79, 31.19 ppm; 3.59 A): 1 out of 28 assignments used, quality = 1.00: * HA PRO 37 + HB2 PRO 37 OK 100 100 - 100 - 2.3=100 HA PRO 37 - HB2 PRO 60 OK 36 60 - 59 - 6000/3.0=10, 2665=7...(28) HA GLU 28 - HB2 PRO 37 OK 31 92 - 34 - 2308/1.8=4, 2685/2.3=3...(19) HA GLU 56 - HB2 PRO 37 OK 29 68 - 42 - 3264=4, 2.9/1034=3...(25) HA GLU 56 - HB2 PRO 60 OK 22 34 - 65 - 7024/2.3=12, 8301/4.2=10...(28) HA ARG 57 - HB2 PRO 37 OK 21 60 - 35 - 3.0/260=3, 3.6/6678=3...(13) HA ILE 63 - HB2 PRO 37 OK 20 100 - 20 - 2678/1.8=2, 2685/2.3=2...(7) HA ARG 57 - HB2 PRO 60 OK 13 29 - 44 - 3297/3.0=4, 3.0/260=4...(26) HA ALA 98 - HB2 PRO 37 OK 13 99 - 13 - 3.6/6702=2, 2685/2.3=1...(4) HA ILE 63 - HB2 PRO 60 OK 10 59 - 17 - ~7134=3, ~7141=2...(5) HB3 SER 78 - HB2 PRO 37 OK 10 90 - 11 - 4041/2.3=1 HA PHE 83 - HB2 PRO 37 lone 10 100 - 10 - HB3 SER 72 - HB2 PRO 37 lone 9 100 - 9 - 1.8/7286=2, ~3901=1 HA SER 78 - HB2 PRO 37 poor 9 71 - 13 - ~5996=2, ~1148=1 HA ASN 108 - HB2 PRO 37 lone 7 100 - 7 - HA ILE 124 - HB2 PRO 37 lone 7 100 - 7 - HB2 SER 113 - HB2 PRO 37 lone 5 97 - 5 - HA ILE 124 - HB2 PRO 60 lone 4 60 - 6 - 5336/2.3=1 HB2 SER 113 - HB2 PRO 60 lone 2 56 - 4 - HA PHE 83 - HB2 PRO 60 lone 1 59 - 2 - HA3 GLY 25 - HB2 PRO 37 lone 1 60 - 2 - HA GLU 28 - HB2 PRO 60 lone 1 50 - 2 - HB3 SER 72 - HB2 PRO 60 lone 1 60 - 2 - HA ALA 98 - HB2 PRO 60 lone 1 59 - 2 - HB3 SER 78 - HB2 PRO 60 lone 1 49 - 2 - HA ASN 108 - HB2 PRO 60 lone 1 60 - 1 - HA SER 78 - HB2 PRO 60 lone 1 36 - 1 - HA3 GLY 25 - HB2 PRO 60 lone 0 29 - 1 - Peak 2672 from cnoeabs.peaks (1.79, 1.79, 31.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 37 + HB2 PRO 37 OK 100 100 - 100 HB2 PRO 60 + HB2 PRO 60 OK 48 48 - 100 Peak 2673 from cnoeabs.peaks (2.21, 1.79, 31.19 ppm; 2.78 A): 2 out of 28 assignments used, quality = 1.00: * HB3 PRO 37 + HB2 PRO 37 OK 100 100 - 100 - 1.8=100 HG2 PRO 37 + HB2 PRO 37 OK 95 95 - 100 - 2.3=100 HB3 PRO 37 - HB2 PRO 60 OK 33 60 - 55 - 2679=5, 2.3/2686=3...(39) HG2 PRO 37 - HB2 PRO 60 OK 27 53 - 52 - 2689/2.3=5, 2686=4...(34) HB VAL 26 - HB2 PRO 37 OK 19 83 - 23 - 2679=2, 2667/2.3=2...(12) HB2 PRO 70 - HB2 PRO 37 OK 16 60 - 27 - 2.3/8255=3, ~8256=2...(10) HB3 LEU 117 - HB2 PRO 37 OK 15 87 - 17 - 5146=2, ~5140=1, 2666/2.3=1 HG2 GLU 38 - HB2 PRO 37 OK 13 71 - 18 - 5.0/146=3, 4.0/6710=2...(4) HG3 GLU 38 - HB2 PRO 37 OK 12 68 - 18 - 5.0/146=3, 4.0/6710=2 HB2 PRO 70 - HB2 PRO 60 OK 12 29 - 40 - 3814/2.3=3, ~3459=2...(22) HG2 GLU 28 - HB2 PRO 37 OK 11 92 - 12 - 2666/2.3=1 HG3 GLU 28 - HB2 PRO 37 OK 11 89 - 12 - 2666/2.3=1 HB2 PRO 68 - HB2 PRO 60 poor 9 45 - 20 - ~3462=2, 2.3/3467=1...(9) HB VAL 49 - HB2 PRO 37 poor 7 63 - 11 - ~3039=1 HB2 GLU 73 - HB2 PRO 37 lone 4 71 - 5 - HB2 PRO 68 - HB2 PRO 37 lone 3 85 - 3 - HB VAL 26 - HB2 PRO 60 lone 3 43 - 6 - HG3 GLU 64 - HB2 PRO 37 lone 3 78 - 3 - HB3 LEU 117 - HB2 PRO 60 lone 2 46 - 4 - HG2 GLU 38 - HB2 PRO 60 lone 2 36 - 5 - HG3 GLU 38 - HB2 PRO 60 lone 2 34 - 5 - HG2 GLU 94 - HB2 PRO 37 lone 1 73 - 2 - HB VAL 49 - HB2 PRO 60 lone 1 31 - 3 - HG2 GLU 28 - HB2 PRO 60 lone 0 50 - 1 - HG3 GLU 28 - HB2 PRO 60 lone 0 48 - 1 - HG2 GLU 94 - HB2 PRO 60 lone 0 37 - 1 - HG3 GLU 64 - HB2 PRO 60 lone 0 40 - 1 - HB2 GLU 73 - HB2 PRO 60 lone 0 36 - 1 - Peak 2674 from cnoeabs.peaks (2.20, 1.79, 31.19 ppm; 2.83 A): 2 out of 14 assignments used, quality = 1.00: * HG2 PRO 37 + HB2 PRO 37 OK 100 100 - 100 - 2.3=100 HB3 PRO 37 + HB2 PRO 37 OK 95 95 - 100 - 1.8=100 HG2 PRO 37 - HB2 PRO 60 OK 33 60 - 54 - 2689/2.3=5, 2686=4...(36) HB3 PRO 37 - HB2 PRO 60 OK 29 53 - 56 - 2679=5, 2695/2.3=4...(39) HB VAL 26 - HB2 PRO 37 OK 24 99 - 24 - 2667/2.3=3, 2679=2...(14) HB VAL 49 - HB2 PRO 37 OK 11 92 - 12 - 2667/2.3=1, ~3039=1...(4) HG2 GLU 28 - HB2 PRO 37 poor 7 63 - 12 - 4.0/2671=1, 2666/2.3=1 HG3 GLU 28 - HB2 PRO 37 poor 7 57 - 12 - 4.0/2671=1 HB2 GLU 73 - HB2 PRO 37 lone 5 96 - 5 - HB VAL 26 - HB2 PRO 60 lone 4 58 - 7 - HB VAL 49 - HB2 PRO 60 lone 2 50 - 4 - HB2 GLU 73 - HB2 PRO 60 lone 0 54 - 1 - HG2 GLU 28 - HB2 PRO 60 lone 0 31 - 1 - HG3 GLU 28 - HB2 PRO 60 lone 0 28 - 1 - Peak 2675 from cnoeabs.peaks (2.05, 1.79, 31.19 ppm; 3.38 A): 3 out of 24 assignments used, quality = 1.00: * HG3 PRO 37 + HB2 PRO 37 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HB2 PRO 37 OK 69 100 - 69 - 2697/3.0=8, 2689/2.3=7...(35) HG3 PRO 60 + HB2 PRO 60 OK 60 60 - 100 - 2.3=100 HB2 GLU 56 - HB2 PRO 37 OK 44 97 - 45 - 3270=4, 2689/2.3=3...(26) HG3 PRO 37 - HB2 PRO 60 OK 41 60 - 67 - 3478/3.0=6, 3476/2.3=6...(33) HG3 PRO 70 - HB2 PRO 37 OK 40 98 - 41 - 1.8/8255=5, ~8256=4...(17) HB2 GLU 56 - HB2 PRO 60 OK 38 56 - 69 - ~7024=6, 3463/1.8=6...(35) HB3 GLU 38 - HB2 PRO 37 OK 36 97 - 37 - 2711/3.9=7, 3.0/6710=3...(16) HB2 ARG 57 - HB2 PRO 37 OK 31 78 - 39 - 3.0/6678=3, 2689/2.3=2...(19) HG3 PRO 70 - HB2 PRO 60 OK 30 57 - 53 - 3463/1.8=5, 1.8/8255=4...(33) HB2 ARG 57 - HB2 PRO 60 OK 22 40 - 54 - ~3460=3, 3463/1.8=3...(32) HB ILE 63 - HB2 PRO 37 OK 20 93 - 21 - 2668/2.3=2, 2689/2.3=1...(9) HB ILE 63 - HB2 PRO 60 OK 14 52 - 27 - 3463/1.8=2, 282/4.2=2...(13) HB3 ARG 53 - HB2 PRO 37 OK 13 60 - 22 - 3.0/6068=4, ~8432=3...(9) HB3 ARG 81 - HB2 PRO 37 lone 9 100 - 8 - HB2 GLN 16 - HB2 PRO 37 poor 7 60 - 11 - 3.0/2677=1 HB3 GLU 38 - HB2 PRO 60 poor 7 56 - 12 - 3.8/146=1, ~6005=1, 3.0/6710=1 HB3 ARG 53 - HB2 PRO 60 poor 5 29 - 17 - 3.0/6068=2, ~3132=1...(4) HB3 ARG 81 - HB2 PRO 60 lone 5 60 - 8 - HG2 GLU 64 - HB2 PRO 37 lone 4 78 - 5 - HB2 GLN 105 - HB2 PRO 37 lone 1 65 - 2 - HB2 GLN 16 - HB2 PRO 60 lone 1 29 - 4 - HB2 GLN 105 - HB2 PRO 60 lone 1 32 - 3 - HG2 GLU 64 - HB2 PRO 60 lone 1 40 - 2 - Peak 2676 from cnoeabs.peaks (3.43, 1.79, 31.19 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: * HD2 PRO 37 + HB2 PRO 37 OK 100 100 - 100 - 3.0=100 HD2 PRO 37 + HB2 PRO 60 OK 49 60 - 82 - 2697/2.3=13, 2651=8...(40) HB2 SER 44 - HB2 PRO 37 OK 23 65 - 36 - 2690/2.3=6, 2662/3.0=5...(15) HA2 GLY 86 - HB2 PRO 37 OK 21 76 - 28 - 2669/2.3=5, 2690/2.3=4...(10) HA2 GLY 86 - HB2 PRO 60 lone 1 39 - 3 - HB2 SER 44 - HB2 PRO 60 lone 1 32 - 3 - Peak 2677 from cnoeabs.peaks (4.04, 1.79, 31.19 ppm; 4.15 A): 3 out of 16 assignments used, quality = 1.00: * HD3 PRO 37 + HB2 PRO 37 OK 100 100 - 100 - 3.0=100 HA ALA 14 + HB2 PRO 37 OK 50 78 - 64 - 2.1/6307=16, 3.6/6702=12...(18) HD3 PRO 37 + HB2 PRO 60 OK 48 60 - 80 - 1.8/2676=9, ~2697=8...(40) HA LYS 109 - HB2 PRO 37 OK 28 98 - 29 - 2691/2.3=3, 2670/2.3=3...(14) HA TYR 102 - HB2 PRO 37 OK 28 100 - 28 - 2656/3.0=4, 2670/2.3=3...(12) HA SER 44 - HB2 PRO 37 OK 23 73 - 31 - 3.0/2676=3, 2691/2.3=3...(17) HA LEU 55 - HB2 PRO 37 OK 21 95 - 22 - 3.6/1034=3, 151/3.9=3...(8) HA GLN 16 - HB2 PRO 37 OK 20 97 - 21 - 2691/2.3=3, 2656/3.0=2...(7) HA LEU 55 - HB2 PRO 60 OK 12 53 - 23 - 3.6/1034=5, ~245=3...(7) HA SER 112 - HB2 PRO 37 OK 10 92 - 11 - 2670/2.3=1, ~1756=1...(4) HA GLN 16 - HB2 PRO 60 lone 3 55 - 6 - 1938/1.8=1 HA ALA 14 - HB2 PRO 60 lone 3 40 - 7 - 2.1/6307=2, 3.6/6702=1 HA LYS 109 - HB2 PRO 60 lone 3 57 - 5 - HA TYR 102 - HB2 PRO 60 lone 2 60 - 4 - HA SER 112 - HB2 PRO 60 lone 1 50 - 2 - HA SER 44 - HB2 PRO 60 lone 1 37 - 2 - Peak 2678 from cnoeabs.peaks (4.14, 2.21, 31.19 ppm; 3.54 A): 1 out of 42 assignments used, quality = 1.00: * HA PRO 37 + HB3 PRO 37 OK 100 100 - 100 - 2.3=100 HA GLU 28 - HB3 PRO 37 OK 33 92 - 36 - 2308=4, 2671/1.8=3...(21) HA PRO 37 - HB VAL 26 OK 26 83 - 31 - 2667=5, 3.6/2683=3...(14) HA GLU 56 - HB3 PRO 37 OK 24 68 - 35 - 3264/1.8=3, 2685/2.3=3...(22) HA ILE 63 - HB3 PRO 37 OK 22 100 - 22 - 2685/2.3=2, 2671/1.8=2...(9) HA ARG 57 - HB3 PRO 37 OK 19 60 - 32 - 2685/2.3=2, 2671/1.8=2...(13) HA ARG 57 - HB VAL 26 OK 15 43 - 36 - ~7032=5, 7035/2.1=5...(14) HA3 GLY 25 - HB VAL 26 OK 13 43 - 30 - ~8228=6, ~6488=6...(7) HA ALA 98 - HB3 PRO 37 OK 10 99 - 10 - 2685/2.3=1, 2671/1.8=1 HB3 SER 78 - HB3 PRO 37 poor 9 90 - 10 - 4041/2.3=1 HA PHE 83 - HB3 PRO 37 lone 9 100 - 9 - HA SER 78 - HB3 PRO 37 poor 9 71 - 12 - ~5996=2, ~1148=1 HB3 SER 72 - HB3 PRO 37 lone 8 100 - 8 - ~7286=2, ~3901=1 HA PRO 37 - HB VAL 49 poor 7 50 - 15 - 2667=2, 3.6/2660=1...(6) HA ILE 124 - HB3 PRO 37 lone 7 100 - 7 - HA GLU 56 - HB VAL 26 poor 6 49 - 13 - ~8232=5, ~8217=2...(4) HA ASN 108 - HB3 PRO 37 lone 6 100 - 6 - HA GLU 28 - HB VAL 26 lone 5 71 - 7 - ~6542=3, ~1886=1 HB2 SER 113 - HB3 PRO 37 lone 4 97 - 4 - HA ILE 63 - HB VAL 26 lone 4 81 - 4 - HA ILE 63 - HB VAL 49 lone 3 49 - 7 - ~6900=2, 3504/2.1=1 HA ASN 108 - HB VAL 49 lone 3 50 - 6 - ~5599=2, ~5597=1, 4862/4.4=1 HA ALA 98 - HB VAL 26 lone 3 81 - 3 - HA3 GLY 25 - HB3 PRO 37 lone 2 60 - 4 - 3.6/871=2 HA ILE 124 - HB VAL 49 lone 2 49 - 4 - HA ILE 124 - HB VAL 26 lone 2 82 - 2 - HA PHE 83 - HB VAL 26 lone 2 81 - 2 - ~7473=1 HB3 SER 72 - HB VAL 26 lone 2 82 - 2 - 4.5/1120=1 HA ASN 108 - HB VAL 26 lone 2 83 - 2 - HB2 SER 113 - HB VAL 26 lone 2 77 - 2 - HB3 SER 78 - HB VAL 26 lone 1 69 - 1 - HA GLU 56 - HB VAL 49 lone 1 27 - 4 - HA GLU 28 - HB VAL 49 lone 1 41 - 2 - HA SER 78 - HB VAL 26 lone 1 52 - 2 - HA PHE 83 - HB VAL 49 lone 1 49 - 2 - HA3 GLY 25 - HB VAL 49 lone 1 24 - 3 - 3.6/871=2 HA ALA 98 - HB VAL 49 lone 1 48 - 2 - HA ARG 57 - HB VAL 49 lone 1 24 - 3 - HB3 SER 72 - HB VAL 49 lone 0 49 - 1 - HB3 SER 78 - HB VAL 49 lone 0 40 - 1 - HA SER 78 - HB VAL 49 lone 0 29 - 1 - HB2 SER 113 - HB VAL 49 lone 0 46 - 1 - Peak 2679 from cnoeabs.peaks (1.79, 2.21, 31.19 ppm; 2.95 A): 2 out of 42 assignments used, quality = 1.00: * HB2 PRO 37 + HB3 PRO 37 OK 100 100 - 100 - 1.8=100 HB2 PRO 60 + HB3 PRO 37 OK 53 89 - 59 - 2674=4, 2686/2.3=4...(42) HB3 GLU 56 - HB3 PRO 37 OK 31 99 - 31 - 3275/2.3=2, 2686/2.3=2...(16) HB2 GLU 75 - HB3 PRO 37 OK 27 97 - 29 - 3958/1.8=2, ~6678=2...(16) HB2 PRO 37 - HB VAL 26 OK 22 83 - 27 - 2674=4, 2.3/2667=3...(15) HB2 LEU 117 - HB3 PRO 37 OK 21 95 - 22 - 5140=2, 2686/2.3=1...(8) HB3 ARG 57 - HB VAL 26 OK 20 49 - 41 - 7036/2.1=4, 7036/2.1=4...(19) HB3 ARG 57 - HB3 PRO 37 OK 19 68 - 28 - 1.8/2682=2, 3.0/6680=1...(7) HB2 LYS 32 - HB3 PRO 37 OK 16 100 - 16 - ~6677=2, 2665/2.3=2...(8) HG LEU 117 - HB3 PRO 37 OK 13 73 - 18 - 3.0/5140=2, 2.1/5168=1 HG2 GLU 75 - HB3 PRO 37 OK 13 65 - 19 - ~3974=2, 3968/1.8=2...(9) HD3 LYS 109 - HB3 PRO 37 poor 9 81 - 11 - HD2 LYS 109 - HB3 PRO 37 poor 8 73 - 10 - HB3 GLU 56 - HB VAL 26 lone 7 81 - 9 - ~8217=2, ~6965=1, ~8238=1 HB2 LEU 117 - HB VAL 49 poor 7 43 - 16 - ~8493=3, 5142/2.1=2...(7) HB2 PRO 37 - HB VAL 49 poor 7 50 - 13 - 2674=2, ~3039=1...(5) HG LEU 117 - HB VAL 49 poor 6 30 - 19 - ~8493=4, ~3043=2...(9) HB2 PRO 60 - HB VAL 26 lone 5 67 - 7 - ~8239=1 HG3 PRO 30 - HB3 PRO 37 lone 4 76 - 5 - 146/3.9=1 HB2 LEU 117 - HB VAL 26 lone 4 74 - 5 - ~8222=1, ~8227=1 HG LEU 117 - HB VAL 26 lone 3 54 - 5 - ~8227=2, ~8222=1 HB2 GLU 75 - HB VAL 49 lone 2 45 - 4 - HB2 PRO 60 - HB VAL 49 lone 1 39 - 4 - HB3 ARG 92 - HB3 PRO 37 lone 1 83 - 2 - HB2 GLU 75 - HB VAL 26 lone 1 76 - 2 - HB3 GLU 56 - HB VAL 49 lone 1 48 - 3 - HB2 LYS 32 - HB VAL 26 lone 1 83 - 1 - HG2 GLN 42 - HB3 PRO 37 lone 1 65 - 2 - HG3 PRO 30 - HB VAL 26 lone 1 56 - 2 - HD3 LYS 109 - HB VAL 26 lone 1 60 - 1 - HG2 GLN 42 - HB VAL 26 lone 1 47 - 2 - HG2 GLU 75 - HB VAL 49 lone 1 26 - 3 - ~8494=1 HD2 LYS 109 - HB VAL 26 lone 1 54 - 1 - HB3 ARG 57 - HB VAL 49 lone 1 27 - 2 - HG2 GLU 75 - HB VAL 26 lone 1 47 - 1 - HB3 ARG 92 - HB VAL 26 lone 0 62 - 1 - HB3 ARG 92 - HB VAL 49 lone 0 35 - 1 - HG3 PRO 30 - HB VAL 49 lone 0 31 - 1 - HG2 GLN 42 - HB VAL 49 lone 0 26 - 1 - HB2 LYS 32 - HB VAL 49 lone 0 50 - 1 - HD3 LYS 109 - HB VAL 49 lone 0 34 - 0 - HD2 LYS 109 - HB VAL 49 lone 0 30 - 0 - Peak 2680 from cnoeabs.peaks (2.21, 2.21, 31.19 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 37 + HB3 PRO 37 OK 100 100 - 100 HB VAL 26 + HB VAL 26 OK 62 62 - 100 HB VAL 49 - HB VAL 49 OK 25 25 - 100 Peak 2681 from cnoeabs.peaks (2.20, 2.21, 31.19 ppm; diagonal): 2 out of 3 assignments used, quality = 0.99: HB3 PRO 37 + HB3 PRO 37 OK 95 95 - 100 HB VAL 26 + HB VAL 26 OK 80 80 - 100 HB VAL 49 - HB VAL 49 OK 41 41 - 100 Reference assignment not found: HG2 PRO 37 - HB3 PRO 37 Peak 2682 from cnoeabs.peaks (2.05, 2.21, 31.19 ppm; 3.33 A): 2 out of 36 assignments used, quality = 1.00: * HG3 PRO 37 + HB3 PRO 37 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HB3 PRO 37 OK 70 100 - 70 - 2697/3.0=7, 2689/2.3=7...(40) HB2 GLU 56 - HB3 PRO 37 OK 39 97 - 40 - 2689/2.3=3, 1.8/2679=3...(24) HG3 PRO 70 - HB3 PRO 37 OK 38 98 - 39 - 1.8/8254=4, ~8256=4...(17) HB3 GLU 38 - HB3 PRO 37 OK 33 97 - 34 - 3.8/148=8, 2689/2.3=3...(13) HB2 ARG 57 - HB3 PRO 37 OK 30 78 - 38 - 2689/2.3=2, 2711/3.9=2...(18) HB2 ARG 57 - HB VAL 26 OK 29 58 - 49 - ~7036=5, ~8220=5...(20) HG3 PRO 37 - HB VAL 26 OK 26 83 - 31 - ~2259=4, ~2254=4...(13) HB3 ARG 53 - HB VAL 26 OK 22 43 - 52 - 1.8/8432=8, ~6964=8...(18) HB ILE 63 - HB3 PRO 37 OK 20 93 - 21 - 2.1/7140=2, 2668/2.3=2...(9) HG3 PRO 70 - HB VAL 49 OK 15 46 - 34 - 7264/2.1=9, 6909/2.1=4...(12) HB3 ARG 53 - HB3 PRO 37 OK 15 60 - 24 - 1.8/8432=3, ~8432=3...(10) HB2 GLU 56 - HB VAL 26 poor 9 77 - 12 - 8217/2.1=2, ~8218=1...(6) HB2 GLN 16 - HB VAL 26 poor 9 43 - 21 - ~8182=3, ~8181=2...(13) HG3 PRO 37 - HB VAL 49 poor 9 50 - 17 - 6909/2.1=2, ~3039=2...(9) HG3 PRO 60 - HB VAL 26 poor 8 82 - 10 - ~8239=1, ~6508=1...(4) HB3 ARG 81 - HB3 PRO 37 lone 8 100 - 8 - HB3 GLU 38 - HB VAL 26 poor 8 77 - 10 - ~6510=2, ~6506=2...(5) HB3 ARG 81 - HB VAL 26 lone 7 82 - 8 - ~8220=1, ~8211=1 HB2 GLN 16 - HB3 PRO 37 poor 7 60 - 11 - HB3 ARG 53 - HB VAL 49 poor 5 24 - 21 - 1.8/8432=4, ~6903=3...(8) HG2 GLU 64 - HB3 PRO 37 lone 5 78 - 6 - HB ILE 63 - HB VAL 26 lone 4 72 - 6 - HB ILE 63 - HB VAL 49 lone 4 42 - 10 - ~6900=3, ~6903=1...(4) HG3 PRO 60 - HB VAL 49 lone 3 49 - 7 - ~7091=1, ~8492=1, ~7089=1 HG3 PRO 70 - HB VAL 26 lone 2 78 - 3 - HB2 GLU 56 - HB VAL 49 lone 2 46 - 4 - HB3 GLU 38 - HB VAL 49 lone 1 46 - 3 - HB3 ARG 81 - HB VAL 49 lone 1 49 - 3 - HB2 GLN 105 - HB3 PRO 37 lone 1 65 - 2 - HB2 ARG 57 - HB VAL 49 lone 1 33 - 4 - HB2 GLN 105 - HB VAL 26 lone 1 47 - 2 - HG2 GLU 64 - HB VAL 26 lone 0 58 - 1 - HG2 GLU 64 - HB VAL 49 lone 0 33 - 1 - HB2 GLN 105 - HB VAL 49 lone 0 26 - 1 - HB2 GLN 16 - HB VAL 49 lone 0 24 - 1 - Peak 2683 from cnoeabs.peaks (3.43, 2.21, 31.19 ppm; 4.27 A): 1 out of 9 assignments used, quality = 1.00: * HD2 PRO 37 + HB3 PRO 37 OK 100 100 - 100 - 3.0=100 HD2 PRO 37 - HB VAL 26 OK 35 83 - 42 - 2653=6, ~2259=5, ~2254=5...(17) HB2 SER 44 - HB3 PRO 37 OK 23 65 - 35 - 2690/2.3=6, 2676/1.8=5...(16) HA2 GLY 86 - HB3 PRO 37 OK 21 76 - 28 - 2669/2.3=5, 2690/2.3=4...(11) HB2 SER 44 - HB VAL 49 OK 14 26 - 55 - ~6833=18, 6834/3.0=16...(8) HD2 PRO 37 - HB VAL 49 OK 12 50 - 24 - ~3039=3, 2653=3...(11) HA2 GLY 86 - HB VAL 26 lone 3 56 - 6 - ~8235=1, ~6510=1 HA2 GLY 86 - HB VAL 49 lone 3 31 - 9 - ~8407=2, 7510/2.1=2...(4) HB2 SER 44 - HB VAL 26 lone 1 47 - 3 - Peak 2684 from cnoeabs.peaks (4.04, 2.21, 31.19 ppm; 4.26 A): 2 out of 24 assignments used, quality = 1.00: * HD3 PRO 37 + HB3 PRO 37 OK 100 100 - 100 - 3.0=100 HA ALA 14 + HB3 PRO 37 OK 49 78 - 63 - ~6307=11, 2.1/6310=8...(20) HD3 PRO 37 - HB VAL 26 OK 35 83 - 43 - 1.8/2683=6, 2660=5...(17) HA LYS 109 - HB3 PRO 37 OK 29 98 - 29 - 2670/2.3=3, 2691/2.3=3...(13) HA TYR 102 - HB3 PRO 37 OK 28 100 - 28 - 2656/3.0=4, 2670/2.3=3...(12) HA SER 44 - HB3 PRO 37 OK 24 73 - 33 - 3.0/2683=3, 2691/2.3=3...(17) HA LEU 55 - HB VAL 26 OK 22 74 - 30 - ~8234=8, ~7006=6...(8) HA GLN 16 - HB3 PRO 37 OK 19 97 - 19 - 2691/2.3=3, 2677/1.8=2...(8) HA LEU 55 - HB3 PRO 37 OK 19 95 - 20 - 151/3.9=3, 2670/2.3=3...(8) HA SER 44 - HB VAL 49 OK 19 30 - 62 - 6836/3.0=19, ~6820=15...(10) HA GLN 16 - HB VAL 26 OK 14 76 - 18 - ~5944=4, ~1536=3...(8) HD3 PRO 37 - HB VAL 49 OK 12 50 - 24 - 2660=3, ~3039=3...(11) HA SER 112 - HB3 PRO 37 OK 10 92 - 11 - ~1756=2, 2670/2.3=2...(5) HA LEU 55 - HB VAL 49 poor 9 43 - 22 - ~8492=3, ~6911=3...(8) HA ALA 14 - HB VAL 49 poor 7 33 - 21 - 6297/2.1=4, ~5599=3...(7) HA ALA 14 - HB VAL 26 poor 6 58 - 10 - 4.9/2244=2, ~5439=1...(5) HA TYR 102 - HB VAL 26 lone 3 82 - 4 - HA LYS 109 - HB VAL 26 lone 2 78 - 2 - HA SER 44 - HB VAL 26 lone 2 54 - 3 - HA SER 112 - HB VAL 26 lone 1 71 - 2 - HA SER 112 - HB VAL 49 lone 1 41 - 3 - HA TYR 102 - HB VAL 49 lone 1 49 - 2 - HA GLN 16 - HB VAL 49 lone 1 45 - 2 - HA LYS 109 - HB VAL 49 lone 1 46 - 2 - Peak 2685 from cnoeabs.peaks (4.14, 2.20, 27.36 ppm; 4.18 A): 1 out of 14 assignments used, quality = 1.00: * HA PRO 37 + HG2 PRO 37 OK 100 100 - 100 - 3.8=100 HA GLU 28 - HG2 PRO 37 OK 34 92 - 37 - 3.0/5546=4, 2650/2.3=4...(18) HA GLU 56 - HG2 PRO 37 OK 29 68 - 43 - 3.0/2689=4, 3.0/2686=4...(21) HA ARG 57 - HG2 PRO 37 OK 24 60 - 40 - 3.6/6682=4, ~1637=3...(22) HA ILE 63 - HG2 PRO 37 OK 24 100 - 24 - 2650/2.3=3, 2657/2.3=3...(8) HA ALA 98 - HG2 PRO 37 OK 16 99 - 16 - 3.6/6700=3, 2.1/6682=2...(8) HB3 SER 78 - HG2 PRO 37 OK 10 90 - 11 - 2650/2.3=1, 2657/2.3=1...(5) HB3 SER 72 - HG2 PRO 37 lone 10 100 - 10 - ~7286=3, 4.5/1120=1...(4) HA PHE 83 - HG2 PRO 37 lone 9 100 - 9 - 2650/2.3=1, 2671/2.3=1...(4) HA ASN 108 - HG2 PRO 37 lone 7 100 - 7 - 2657/2.3=1 HA ILE 124 - HG2 PRO 37 lone 7 100 - 7 - HA SER 78 - HG2 PRO 37 lone 7 71 - 10 - 7449/1.8=1 HB2 SER 113 - HG2 PRO 37 lone 5 97 - 5 - HA3 GLY 25 - HG2 PRO 37 lone 4 60 - 6 - 3.6/871=4 Peak 2686 from cnoeabs.peaks (1.79, 2.20, 27.36 ppm; 3.57 A): 2 out of 14 assignments used, quality = 1.00: * HB2 PRO 37 + HG2 PRO 37 OK 100 100 - 100 - 2.3=100 HB2 PRO 60 + HG2 PRO 37 OK 65 89 - 73 - 2.3/2689=8, 2676/2.3=6...(40) HB3 GLU 56 - HG2 PRO 37 OK 40 99 - 40 - 1.8/2689=4, 3275/1.8=4...(23) HB2 GLU 75 - HG2 PRO 37 OK 35 97 - 36 - 1.8/6682=5, 3958/2.3=3...(18) HB2 LEU 117 - HG2 PRO 37 OK 25 95 - 27 - 5140/2.3=3, 2651/2.3=2...(11) HB3 ARG 57 - HG2 PRO 37 OK 25 68 - 37 - 3.0/6682=3, 1.8/2689=3...(17) HB2 LYS 32 - HG2 PRO 37 OK 20 100 - 20 - 3.0/6683=2, ~6677=2...(11) HG LEU 117 - HG2 PRO 37 OK 17 73 - 23 - 2.1/3044=2, 5154/2.3=1...(8) HG2 GLU 75 - HG2 PRO 37 OK 17 65 - 26 - 3.0/6682=4, ~3974=2...(17) HD3 LYS 109 - HG2 PRO 37 OK 13 81 - 16 - 4941/2.3=1, ~4921=1...(6) HD2 LYS 109 - HG2 PRO 37 OK 12 73 - 16 - 4941/2.3=1, ~4921=1...(5) HG3 PRO 30 - HG2 PRO 37 lone 5 76 - 6 - 6635/6684=1 HB3 ARG 92 - HG2 PRO 37 lone 2 83 - 2 - HG2 GLN 42 - HG2 PRO 37 lone 1 65 - 2 - Peak 2687 from cnoeabs.peaks (2.21, 2.20, 27.36 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: HG2 PRO 37 + HG2 PRO 37 OK 95 95 - 100 Reference assignment not found: HB3 PRO 37 - HG2 PRO 37 Peak 2688 from cnoeabs.peaks (2.20, 2.20, 27.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 37 + HG2 PRO 37 OK 100 100 - 100 Peak 2689 from cnoeabs.peaks (2.05, 2.20, 27.36 ppm; 2.90 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 37 + HG2 PRO 37 OK 100 100 - 100 - 1.8=100 HG3 PRO 60 + HG2 PRO 37 OK 57 100 - 57 - 2695=7, 2697/2.3=7...(33) HG3 PRO 70 - HG2 PRO 37 OK 28 98 - 29 - 1.8/8256=4, 2654/2.3=2...(14) HB2 GLU 56 - HG2 PRO 37 OK 27 97 - 28 - 1.8/2686=3, 2661/2.3=2...(12) HB3 GLU 38 - HG2 PRO 37 OK 24 97 - 25 - 3.8/148=5, 2654/2.3=2...(10) HB2 ARG 57 - HG2 PRO 37 OK 19 78 - 25 - 3.0/6682=2, 2661/2.3=2...(7) HB3 ARG 53 - HG2 PRO 37 OK 12 60 - 20 - 1.8/8432=3, ~8432=2...(9) HB ILE 63 - HG2 PRO 37 OK 12 93 - 13 - 3.0/2685=1 HB3 ARG 81 - HG2 PRO 37 lone 5 100 - 5 - HB2 GLN 16 - HG2 PRO 37 lone 5 60 - 8 - 3.0/2691=1 HG2 GLU 64 - HG2 PRO 37 lone 2 78 - 2 - HB2 GLN 105 - HG2 PRO 37 lone 1 65 - 1 - Peak 2690 from cnoeabs.peaks (3.43, 2.20, 27.36 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 37 + HG2 PRO 37 OK 100 100 - 100 - 2.3=100 HB2 SER 44 - HG2 PRO 37 OK 19 65 - 29 - 2662/2.3=5, 2697/1.8=4...(12) HA2 GLY 86 - HG2 PRO 37 OK 15 76 - 19 - 2662/2.3=3, 2676/2.3=3...(7) Peak 2691 from cnoeabs.peaks (4.04, 2.20, 27.36 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 37 + HG2 PRO 37 OK 100 100 - 100 - 2.3=100 HA ALA 14 + HG2 PRO 37 OK 45 78 - 58 - 3.6/6700=12, ~6307=8...(18) HA LYS 109 - HG2 PRO 37 OK 22 98 - 22 - 2656/2.3=3, 2677/2.3=2...(8) HA TYR 102 - HG2 PRO 37 OK 21 100 - 21 - 2656/2.3=4, 2677/2.3=2...(9) HA SER 44 - HG2 PRO 37 OK 20 73 - 28 - 3.0/2690=4, 2656/2.3=3...(15) HA GLN 16 - HG2 PRO 37 OK 17 97 - 17 - 2656/2.3=2, 2698/1.8=2...(7) HA LEU 55 - HG2 PRO 37 OK 13 95 - 14 - 2656/2.3=2, 2677/2.3=2...(6) HA SER 112 - HG2 PRO 37 lone 7 92 - 7 - 2656/2.3=1 Peak 2692 from cnoeabs.peaks (4.14, 2.05, 27.36 ppm; 4.19 A): 2 out of 28 assignments used, quality = 1.00: * HA PRO 37 + HG3 PRO 37 OK 100 100 - 100 - 3.8=100 HA PRO 37 + HG3 PRO 60 OK 62 88 - 71 - 6000/2.3=15, 3.6/2697=10...(23) HA GLU 56 - HG3 PRO 60 OK 38 54 - 70 - 7024/3.8=11, 3266/2.3=8...(29) HA GLU 28 - HG3 PRO 37 OK 33 92 - 36 - 2685/1.8=5, 2650/2.3=4...(17) HA GLU 56 - HG3 PRO 37 OK 33 68 - 49 - 2685/1.8=4, 2650/2.3=4...(23) HA ILE 63 - HG3 PRO 37 OK 27 100 - 27 - 2685/1.8=3, 2650/2.3=3...(10) HA ARG 57 - HG3 PRO 60 OK 26 47 - 56 - 3297/2.3=7, 3.0/259=5...(26) HA ILE 63 - HG3 PRO 60 OK 26 87 - 29 - ~7134=3, 3503/2.3=2...(16) HA ARG 57 - HG3 PRO 37 OK 24 60 - 40 - 3.0/259=4, 2685/1.8=3...(24) HA ALA 98 - HG3 PRO 37 OK 14 99 - 14 - 3.6/6701=2, 2685/1.8=2...(8) HB3 SER 78 - HG3 PRO 37 OK 11 90 - 12 - 3.0/7449=1, 2685/1.8=1...(7) HA ILE 124 - HG3 PRO 60 poor 9 88 - 10 - 5336/1.8=1, ~3434=1, ~3441=1 HA PHE 83 - HG3 PRO 37 lone 9 100 - 9 - 2685/1.8=1, 2650/2.3=1...(4) HB3 SER 72 - HG3 PRO 37 lone 9 100 - 9 - ~7286=3, 2685/1.8=1...(5) HA SER 78 - HG3 PRO 37 poor 8 71 - 11 - 7449=1 HA ILE 124 - HG3 PRO 37 lone 7 100 - 7 - HA ASN 108 - HG3 PRO 37 lone 7 100 - 7 - 2657/2.3=1 HB2 SER 113 - HG3 PRO 37 lone 5 97 - 5 - HB2 SER 113 - HG3 PRO 60 lone 4 83 - 5 - HA PHE 83 - HG3 PRO 60 lone 4 87 - 4 - HA GLU 28 - HG3 PRO 60 lone 3 76 - 4 - HA ALA 98 - HG3 PRO 60 lone 2 86 - 3 - HB3 SER 78 - HG3 PRO 60 lone 2 74 - 3 - HA3 GLY 25 - HG3 PRO 37 lone 2 60 - 3 - HB3 SER 72 - HG3 PRO 60 lone 2 87 - 2 - HA ASN 108 - HG3 PRO 60 lone 2 88 - 2 - HA SER 78 - HG3 PRO 60 lone 1 56 - 2 - HA3 GLY 25 - HG3 PRO 60 lone 1 47 - 2 - Peak 2693 from cnoeabs.peaks (1.79, 2.05, 27.36 ppm; 3.21 A): 5 out of 28 assignments used, quality = 1.00: * HB2 PRO 37 + HG3 PRO 37 OK 100 100 - 100 - 2.3=100 HB2 PRO 60 + HG3 PRO 60 OK 73 73 - 100 - 2.3=100 HB2 PRO 37 + HG3 PRO 60 OK 57 88 - 65 - 3.0/2697=7, 2.3/2689=7...(34) HB2 PRO 60 + HG3 PRO 37 OK 55 89 - 63 - 1.8/3463=6, 2.3/3470=6...(33) HB3 GLU 56 + HG3 PRO 60 OK 50 86 - 59 - 3275=7, 3278/2.3=6...(31) HB3 GLU 56 - HG3 PRO 37 OK 38 99 - 38 - 3275=4, 2686/1.8=3...(22) HB2 GLU 75 - HG3 PRO 37 OK 29 97 - 30 - 2686/1.8=3, ~6682=2...(14) HB3 ARG 57 - HG3 PRO 60 OK 27 54 - 50 - 3460/2.3=3, 3467/1.8=3...(33) HB2 LEU 117 - HG3 PRO 37 OK 22 95 - 23 - 5140/2.3=2, 2686/1.8=2...(8) HB3 ARG 57 - HG3 PRO 37 OK 21 68 - 32 - 2686/1.8=2, 3.7/259=2...(13) HB2 LYS 32 - HG3 PRO 37 OK 15 100 - 15 - ~6677=2, 2686/1.8=2...(9) HG LEU 117 - HG3 PRO 37 OK 14 73 - 20 - 2.1/6909=2, 2686/1.8=1...(4) HG2 GLU 75 - HG3 PRO 37 OK 14 65 - 22 - ~6682=2, 3.0/6685=2...(10) HD3 LYS 109 - HG3 PRO 37 OK 11 81 - 14 - 4941/2.3=1, 2686/1.8=1 HD2 LYS 109 - HG3 PRO 37 poor 10 73 - 13 - 4941/2.3=1 HB2 GLU 75 - HG3 PRO 60 poor 10 82 - 12 - 3958/2.3=1, 8335/331=1 HB2 LEU 117 - HG3 PRO 60 lone 6 79 - 8 - HG2 GLU 75 - HG3 PRO 60 lone 5 51 - 9 - HG LEU 117 - HG3 PRO 60 lone 4 58 - 6 - ~7091=1, ~8645=1 HG3 PRO 30 - HG3 PRO 37 lone 3 76 - 4 - HB2 LYS 32 - HG3 PRO 60 lone 3 88 - 3 - HB3 ARG 92 - HG3 PRO 60 lone 2 67 - 3 - HB3 ARG 92 - HG3 PRO 37 lone 2 83 - 2 - HG2 GLN 42 - HG3 PRO 37 lone 1 65 - 2 - HD3 LYS 109 - HG3 PRO 60 lone 1 65 - 1 - HG3 PRO 30 - HG3 PRO 60 lone 1 61 - 1 - HD2 LYS 109 - HG3 PRO 60 lone 1 58 - 1 - HG2 GLN 42 - HG3 PRO 60 lone 0 51 - 1 - Peak 2694 from cnoeabs.peaks (2.21, 2.05, 27.36 ppm; 2.87 A): 4 out of 28 assignments used, quality = 1.00: * HB3 PRO 37 + HG3 PRO 37 OK 100 100 - 100 - 2.3=100 HG2 PRO 37 + HG3 PRO 37 OK 95 95 - 100 - 1.8=100 HB3 PRO 37 + HG3 PRO 60 OK 50 88 - 57 - 2.3/2689=5, 3.0/2697=5...(34) HG2 PRO 37 + HG3 PRO 60 OK 45 79 - 57 - 2689=9, 2.3/2697=6...(33) HB2 PRO 70 - HG3 PRO 60 OK 20 47 - 43 - 1.8/3821=5, 3814=4...(22) HB VAL 26 - HG3 PRO 37 OK 19 83 - 23 - ~2259=3, ~2254=3...(13) HB2 PRO 70 - HG3 PRO 37 OK 18 60 - 31 - 1.8/3821=3, ~8256=3...(16) HB2 PRO 68 - HG3 PRO 60 OK 16 69 - 23 - 1.8/3476=2, 2.3/3470=2...(10) HG2 GLU 38 - HG3 PRO 37 OK 15 71 - 21 - 4.0/2702=2, 5.0/149=2...(8) HG3 GLU 38 - HG3 PRO 37 OK 14 68 - 21 - 4.0/2702=2, 5.0/149=2...(8) HB3 LEU 117 - HG3 PRO 37 OK 14 87 - 16 - 5146/2.3=1, ~5140=1...(5) HG2 GLU 28 - HG3 PRO 37 lone 9 92 - 10 - HG3 GLU 28 - HG3 PRO 37 lone 9 89 - 10 - HB VAL 49 - HG3 PRO 37 poor 8 63 - 12 - 2.1/6909=2, ~3039=1...(6) HB VAL 26 - HG3 PRO 60 lone 5 67 - 7 - 2.1/8217=1 HB3 LEU 117 - HG3 PRO 60 lone 4 71 - 6 - HG2 GLU 38 - HG3 PRO 60 lone 4 56 - 6 - HB2 GLU 73 - HG3 PRO 37 lone 4 71 - 5 - HG3 GLU 38 - HG3 PRO 60 lone 3 54 - 6 - HB2 PRO 68 - HG3 PRO 37 lone 3 85 - 3 - HB VAL 49 - HG3 PRO 60 lone 2 49 - 5 - HG3 GLU 64 - HG3 PRO 37 lone 2 78 - 3 - HG2 GLU 94 - HG3 PRO 37 lone 1 73 - 2 - HG2 GLU 28 - HG3 PRO 60 lone 1 76 - 1 - HG2 GLU 94 - HG3 PRO 60 lone 1 58 - 2 - HG3 GLU 28 - HG3 PRO 60 lone 1 73 - 1 - HG3 GLU 64 - HG3 PRO 60 lone 1 63 - 1 - HB2 GLU 73 - HG3 PRO 60 lone 0 56 - 1 - Peak 2695 from cnoeabs.peaks (2.20, 2.05, 27.36 ppm; 2.76 A): 3 out of 14 assignments used, quality = 1.00: * HG2 PRO 37 + HG3 PRO 37 OK 100 100 - 100 - 1.8=100 HB3 PRO 37 + HG3 PRO 37 OK 95 95 - 100 - 2.3=100 HG2 PRO 37 + HG3 PRO 60 OK 47 88 - 54 - 2689=8, 2.3/2697=6...(32) HB3 PRO 37 - HG3 PRO 60 OK 42 79 - 53 - 2.3/2689=5, 3.0/2697=5...(31) HB VAL 26 - HG3 PRO 37 OK 22 99 - 22 - ~2259=2, 2653/2.3=2...(12) HB VAL 49 - HG3 PRO 37 OK 11 92 - 12 - 2.1/6909=1, ~3039=1...(4) HB VAL 26 - HG3 PRO 60 lone 6 85 - 7 - HG2 GLU 28 - HG3 PRO 37 lone 5 63 - 8 - HG3 GLU 28 - HG3 PRO 37 lone 5 57 - 8 - HB2 GLU 73 - HG3 PRO 37 lone 5 96 - 5 - HB VAL 49 - HG3 PRO 60 lone 4 76 - 5 - HB2 GLU 73 - HG3 PRO 60 lone 1 80 - 1 - HG2 GLU 28 - HG3 PRO 60 lone 0 49 - 1 - HG3 GLU 28 - HG3 PRO 60 lone 0 45 - 1 - Peak 2696 from cnoeabs.peaks (2.05, 2.05, 27.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 37 + HG3 PRO 37 OK 100 100 - 100 HG3 PRO 60 + HG3 PRO 60 OK 87 87 - 100 Peak 2697 from cnoeabs.peaks (3.43, 2.05, 27.36 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * HD2 PRO 37 + HG3 PRO 37 OK 100 100 - 100 - 2.3=100 HD2 PRO 37 + HG3 PRO 60 OK 62 88 - 71 - 2654=10, 2.3/2689=8...(36) HB2 SER 44 - HG3 PRO 37 OK 17 65 - 27 - 2690/1.8=5, 2662/2.3=4...(11) HA2 GLY 86 - HG3 PRO 37 OK 14 76 - 18 - 2690/1.8=4, 2662/2.3=3...(6) HA2 GLY 86 - HG3 PRO 60 lone 1 61 - 2 - HB2 SER 44 - HG3 PRO 60 lone 1 51 - 3 - Peak 2698 from cnoeabs.peaks (4.04, 2.05, 27.36 ppm; 3.92 A): 2 out of 16 assignments used, quality = 1.00: * HD3 PRO 37 + HG3 PRO 37 OK 100 100 - 100 - 2.3=100 HD3 PRO 37 + HG3 PRO 60 OK 68 88 - 77 - 1.8/2697=13, 2661=10...(36) HA ALA 14 - HG3 PRO 37 OK 43 78 - 55 - 3.6/6701=10, ~6307=8...(16) HA LYS 109 - HG3 PRO 37 OK 23 98 - 24 - 2691/1.8=3, 2656/2.3=3...(8) HA TYR 102 - HG3 PRO 37 OK 21 100 - 21 - 2656/2.3=4, 2691/1.8=3...(9) HA SER 44 - HG3 PRO 37 OK 21 73 - 28 - 2656/2.3=3, 2691/1.8=3...(15) HA LEU 55 - HG3 PRO 60 OK 18 79 - 23 - 3.6/1033=4, ~1631=3...(8) HA GLN 16 - HG3 PRO 37 OK 17 97 - 18 - 2691/1.8=3, 2656/2.3=2...(7) HA LEU 55 - HG3 PRO 37 OK 17 95 - 18 - 3.6/1033=3, 2691/1.8=2...(7) HA SER 112 - HG3 PRO 37 lone 8 92 - 8 - 2691/1.8=1, 2656/2.3=1 HA LYS 109 - HG3 PRO 60 lone 4 84 - 5 - HA ALA 14 - HG3 PRO 60 lone 4 63 - 7 - 3.6/6701=2 HA GLN 16 - HG3 PRO 60 lone 4 82 - 5 - 1938/2.3=1 HA TYR 102 - HG3 PRO 60 lone 3 88 - 4 - HA SER 44 - HG3 PRO 60 lone 2 58 - 3 - HA SER 112 - HG3 PRO 60 lone 2 76 - 2 - Peak 2699 from cnoeabs.peaks (8.52, 3.76, 61.13 ppm; 3.52 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 38 + HA GLU 38 OK 100 100 - 100 - 3.0=100 H LEU 41 - HA GLU 38 OK 38 81 - 47 - 1586=10, 4.6/6009=8...(13) H LEU 77 - HA GLU 38 OK 22 97 - 23 - 1653=4, 152/3.6=2...(9) H GLU 94 - HA GLU 38 OK 16 85 - 18 - 4.0/6005=2, 1240/3.0=2...(8) H GLU 28 - HA GLU 38 OK 13 78 - 17 - 4.6/6722=3, 4.8/6708=2...(4) H SER 13 - HA GLU 38 OK 12 83 - 15 - 4.6/24=4, 800=3, 2.9/1889=2 H LYS 31 - HA GLU 38 OK 10 73 - 14 - 3.9/2372=3, 3.9/2701=3 H ARG 53 - HA GLU 38 poor 10 76 - 13 - 4.7/1018=2, 1622/3.6=1 H LEU 84 - HA GLU 38 lone 5 71 - 6 - Peak 2700 from cnoeabs.peaks (3.76, 3.76, 61.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 38 + HA GLU 38 OK 100 100 - 100 Peak 2701 from cnoeabs.peaks (1.94, 3.76, 61.13 ppm; 3.46 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLU 38 + HA GLU 38 OK 100 100 - 100 - 3.0=100 HB3 PRO 30 - HA GLU 38 OK 38 99 - 38 - 1.8/2372=4, 2.3/2386=4...(14) HB3 ARG 85 - HA GLU 38 OK 24 99 - 24 - 2706=4, 1.8/2706=3...(8) HB2 ARG 85 - HA GLU 38 OK 24 99 - 24 - 2706=4, 1.8/2706=3...(8) HB2 GLU 64 - HA GLU 38 OK 20 100 - 20 - 2713/3.0=2, 3.0/2702=1...(7) HB3 GLU 64 - HA GLU 38 OK 20 99 - 20 - 2713/3.0=2, 3.0/2702=1...(7) HB3 GLU 94 - HA GLU 38 OK 18 96 - 19 - 4.0/6004=2, 928/3.0=2...(7) HB2 LEU 21 - HA GLU 38 OK 11 92 - 12 - 3.1/6420=2 HG LEU 58 - HA GLU 38 lone 8 98 - 9 - 5.0/7069=2 HB2 LYS 109 - HA GLU 38 lone 8 100 - 8 - 928/3.0=1 HB3 LYS 119 - HA GLU 38 lone 8 100 - 8 - 2.9/6707=1 HB3 GLU 69 - HA GLU 38 lone 5 100 - 5 - HB ILE 80 - HA GLU 38 lone 4 85 - 4 - HB3 MET 11 - HA GLU 38 lone 1 71 - 1 - Peak 2702 from cnoeabs.peaks (2.06, 3.76, 61.13 ppm; 3.49 A): 2 out of 15 assignments used, quality = 1.00: * HB3 GLU 38 + HA GLU 38 OK 100 100 - 100 - 3.0=100 HG3 PRO 37 + HA GLU 38 OK 57 97 - 59 - ~150=9, 149/3.0=7...(21) HB2 ARG 57 - HA GLU 38 OK 37 96 - 39 - 6074=6, 1.8/6076=6...(13) HB ILE 63 - HA GLU 38 OK 23 100 - 23 - 2.1/6709=4, 2708/3.0=2...(7) HG3 PRO 70 - HA GLU 38 OK 18 85 - 21 - 7272/3.6=4, 149/3.0=2...(7) HG2 GLU 64 - HA GLU 38 OK 18 96 - 19 - 3.0/2701=2, 3.0/2701=2...(5) HG3 PRO 60 - HA GLU 38 OK 15 93 - 16 - 1.8/6005=4, 149/3.0=2 HB2 GLU 56 - HA GLU 38 OK 15 83 - 18 - 4.6/1639=3, 1.8/6710=2...(6) HG LEU 21 - HA GLU 38 poor 9 76 - 12 - 2.1/6420=2, 3.0/2701=1 HB3 ARG 81 - HA GLU 38 lone 8 99 - 8 - 5.0/6720=1 HB2 LEU 114 - HA GLU 38 lone 6 78 - 8 - 3.0/6005=1 HB2 GLN 105 - HA GLU 38 lone 6 89 - 6 - 4770/3.6=1 HB2 GLN 16 - HA GLU 38 lone 5 85 - 6 - HB3 GLN 16 - HA GLU 38 lone 5 83 - 6 - HB2 GLU 15 - HA GLU 38 lone 4 65 - 7 - Peak 2703 from cnoeabs.peaks (2.24, 3.76, 61.13 ppm; 3.33 A): 2 out of 14 assignments used, quality = 0.97: HG3 GLU 38 + HA GLU 38 OK 83 100 - 83 - 4.0=56, 1.8/2718=10...(22) * HG2 GLU 38 + HA GLU 38 OK 83 100 - 83 - 4.0=56, 1.8/2718=10...(22) HB3 PRO 37 - HA GLU 38 OK 37 71 - 53 - ~150=6, 930/3.0=5...(19) HB2 PRO 70 - HA GLU 38 OK 17 100 - 17 - 157/3.6=2, 3814/3.0=2...(6) HG2 GLU 94 - HA GLU 38 OK 16 100 - 16 - 3.0/6005=3, 3.0/6005=2...(5) HG3 GLU 64 - HA GLU 38 OK 14 100 - 14 - 1.8/2702=2, 3.0/2701=2...(5) HG2 GLU 56 - HA GLU 38 OK 12 99 - 12 - 3.0/6710=2, 931/3.0=1 HG3 GLU 28 - HA GLU 38 OK 11 99 - 11 - 5.1/6003=2 HG2 GLU 28 - HA GLU 38 OK 11 97 - 11 - 5.1/6003=2 HG3 GLU 94 - HA GLU 38 OK 11 60 - 18 - 3.0/6005=3, 3.0/6005=2 HB3 LEU 117 - HA GLU 38 lone 9 99 - 9 - 3.1/7086=1 HB2 PRO 68 - HA GLU 38 lone 6 99 - 6 - 1.8/6005=1 HB2 CYS 87 - HA GLU 38 poor 6 60 - 11 - 1.8/4345=2, 4341=2, 3.6/1202=2 HG3 GLU 15 - HA GLU 38 lone 6 97 - 6 - Peak 2704 from cnoeabs.peaks (2.24, 3.76, 61.13 ppm; 3.33 A): 2 out of 14 assignments used, quality = 0.97: * HG3 GLU 38 + HA GLU 38 OK 83 100 - 83 - 4.0=56, 1.8/2718=10...(22) HG2 GLU 38 + HA GLU 38 OK 83 100 - 83 - 4.0=56, 1.8/2718=10...(22) HB3 PRO 37 - HA GLU 38 OK 36 68 - 53 - ~150=6, 930/3.0=5...(19) HB2 PRO 70 - HA GLU 38 OK 17 100 - 17 - 157/3.6=2, 3814/3.0=2...(6) HG2 GLU 94 - HA GLU 38 OK 16 100 - 16 - 3.0/6005=3, 3.0/6005=2...(5) HG3 GLU 64 - HA GLU 38 OK 14 100 - 14 - 1.8/2702=2, 3.0/2701=2...(5) HG2 GLU 56 - HA GLU 38 OK 12 100 - 12 - 3.0/6710=2, 931/3.0=1 HG3 GLU 94 - HA GLU 38 OK 11 63 - 18 - 3.0/6005=3, 3.0/6005=2...(4) HG3 GLU 28 - HA GLU 38 OK 11 98 - 11 - 5.1/6003=2 HG2 GLU 28 - HA GLU 38 OK 11 97 - 11 - 5.1/6003=2 HB3 LEU 117 - HA GLU 38 lone 9 99 - 9 - 3.1/7086=1 HB2 CYS 87 - HA GLU 38 poor 7 63 - 11 - 1.8/4345=2, 4341=2, 3.6/1202=2 HB2 PRO 68 - HA GLU 38 lone 6 99 - 6 - 1.8/6005=1 HG3 GLU 15 - HA GLU 38 lone 6 97 - 6 - Peak 2705 from cnoeabs.peaks (8.52, 1.94, 29.14 ppm; 3.30 A): 8 out of 27 assignments used, quality = 0.91: * H GLU 38 + HB2 GLU 38 OK 77 100 - 77 - 3.8=64, 149/1.8=11...(9) H GLU 38 + HB3 ARG 85 OK 15 99 - 15 - 928=3, 928/1.8=2...(6) H GLU 38 + HB2 ARG 85 OK 15 99 - 15 - 928=3, 928/1.8=2...(6) H LEU 41 + HB2 GLU 38 OK 14 81 - 18 - 1586/3.0=6, 1585/4.4=4...(6) H GLU 94 + HB2 GLU 38 OK 12 85 - 15 - 1240=3, 2699/3.0=2...(6) H GLU 94 + HB3 ARG 85 OK 11 83 - 13 - 1240=3, 1240/1.8=2...(4) H GLU 94 + HB2 ARG 85 OK 11 83 - 13 - 1240=3, 1240/1.8=2...(4) H LEU 77 + HB2 GLU 38 OK 10 97 - 11 - 1653/3.0=3, 2711/1.8=2...(4) H LEU 84 - HB2 ARG 85 poor 8 69 - 12 - 1487/4.0=7, 1689/4.7=4 H LEU 84 - HB3 ARG 85 poor 8 69 - 12 - 1487/4.0=7, 1689/4.7=4 H GLU 28 - HB2 GLU 38 lone 7 78 - 8 - 2699/3.0=1, 886/3.0=1, 886/3.0=1 H LEU 41 - HB2 ARG 85 lone 7 78 - 8 - 164/3.9=2, 945/3.0=2 H LEU 41 - HB3 ARG 85 lone 7 78 - 8 - 164/3.9=2, 945/3.0=2 H SER 13 - HB2 GLU 38 lone 6 83 - 7 - 800/3.0=2 H LYS 31 - HB2 GLU 38 lone 6 73 - 8 - 3.6/2362=2, 3.9/2369=2 H GLU 28 - HB3 ARG 85 lone 5 76 - 7 - 411/4.0=2, 1696/4.7=1, 102/3.0=1 H GLU 28 - HB2 ARG 85 lone 5 76 - 7 - 411/4.0=2, 1696/4.7=1, 102/3.0=1 H ARG 53 - HB2 GLU 38 lone 5 76 - 6 - 6004/3.0=1, 1622/4.4=1 H LEU 77 - HB3 ARG 85 lone 4 95 - 4 - 1652/3.0=1 H LEU 77 - HB2 ARG 85 lone 4 95 - 4 - 1652/3.0=1 H LYS 31 - HB2 ARG 85 lone 4 71 - 5 - H LYS 31 - HB3 ARG 85 lone 4 71 - 5 - H LEU 84 - HB2 GLU 38 lone 3 71 - 4 - H SER 13 - HB2 ARG 85 lone 1 81 - 1 - H SER 13 - HB3 ARG 85 lone 1 81 - 1 - H ARG 53 - HB3 ARG 85 lone 1 74 - 1 - H ARG 53 - HB2 ARG 85 lone 1 74 - 1 - Peak 2706 from cnoeabs.peaks (3.76, 1.94, 29.14 ppm; 3.66 A): 1 out of 33 assignments used, quality = 1.00: * HA GLU 38 + HB2 GLU 38 OK 100 100 - 100 - 3.0=100 HD2 PRO 30 - HB2 GLU 38 OK 31 99 - 32 - 2712/1.8=3, 927/3.8=3...(18) HA GLU 38 - HB2 ARG 85 OK 27 99 - 27 - 2701=4, 2701/1.8=3...(9) HA GLU 38 - HB3 ARG 85 OK 27 99 - 27 - 2701=4, 2701/1.8=3...(9) HA LEU 54 - HB2 GLU 38 OK 16 97 - 16 - 6073/1.8=3, 927/3.8=2...(6) HA CYS 87 - HB2 GLU 38 OK 14 100 - 14 - 4338/3.0=2, 4338/3.0=1...(5) HA CYS 87 - HB2 ARG 85 OK 13 99 - 13 - ~6156=4, ~1700=3...(4) HA CYS 87 - HB3 ARG 85 OK 13 99 - 13 - ~6156=4, ~1700=3...(4) HD2 PRO 30 - HB3 ARG 85 OK 10 97 - 11 - HD2 PRO 30 - HB2 ARG 85 OK 10 97 - 11 - HB3 SER 13 - HB2 GLU 38 lone 10 99 - 10 - 927/3.8=1, 2712/1.8=1 HA GLU 73 - HB2 GLU 38 lone 8 92 - 8 - 6084/3.8=2, 6074/1.8=1 HB3 SER 74 - HB2 GLU 38 lone 4 76 - 5 - HB3 SER 35 - HB2 GLU 38 lone 3 100 - 3 - HB2 SER 74 - HB2 GLU 38 lone 3 73 - 5 - HB2 SER 72 - HB2 GLU 38 lone 3 87 - 3 - HB3 SER 90 - HB2 GLU 38 lone 2 71 - 3 - HA LEU 54 - HB2 ARG 85 lone 2 95 - 2 - HA LEU 54 - HB3 ARG 85 lone 2 95 - 2 - HB3 SER 13 - HB3 ARG 85 lone 1 98 - 1 - HB3 SER 13 - HB2 ARG 85 lone 1 98 - 1 - HA GLU 73 - HB2 ARG 85 lone 1 90 - 1 - HA GLU 73 - HB3 ARG 85 lone 1 90 - 1 - HB3 SER 90 - HB2 ARG 85 lone 1 69 - 2 - HB3 SER 90 - HB3 ARG 85 lone 1 69 - 2 - HB3 SER 74 - HB3 ARG 85 lone 1 74 - 1 - HB3 SER 74 - HB2 ARG 85 lone 1 74 - 1 - HB2 SER 74 - HB3 ARG 85 lone 1 71 - 1 - HB2 SER 74 - HB2 ARG 85 lone 1 71 - 1 - HB3 SER 35 - HB2 ARG 85 lone 1 99 - 1 - HB3 SER 35 - HB3 ARG 85 lone 1 99 - 1 - HB2 SER 72 - HB2 ARG 85 lone 1 85 - 1 - HB2 SER 72 - HB3 ARG 85 lone 1 85 - 1 - Peak 2707 from cnoeabs.peaks (1.94, 1.94, 29.14 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 38 + HB2 GLU 38 OK 100 100 - 100 HB3 ARG 85 + HB3 ARG 85 OK 98 98 - 100 HB2 ARG 85 + HB2 ARG 85 OK 98 98 - 100 Peak 2708 from cnoeabs.peaks (2.06, 1.94, 29.14 ppm; 2.72 A): 1 out of 45 assignments used, quality = 1.00: * HB3 GLU 38 + HB2 GLU 38 OK 100 100 - 100 - 1.8=100 HG3 PRO 37 - HB2 GLU 38 OK 21 97 - 21 - 149/3.8=3, 2702/3.0=3...(8) HB2 ARG 57 - HB2 GLU 38 OK 20 96 - 21 - 2713=3, 6074/3.0=2...(5) HB ILE 63 - HB2 GLU 38 OK 15 100 - 15 - 2.1/7139=1, 3560=1...(5) HB3 GLU 38 - HB2 ARG 85 OK 14 99 - 14 - 2713=2, 2713/1.8=1, 3.0/2701=1 HB3 GLU 38 - HB3 ARG 85 OK 14 99 - 14 - 2713=2, 2713/1.8=1, 3.0/2701=1 HG3 PRO 70 - HB2 GLU 38 OK 12 85 - 14 - 7272/4.4=2, 2.3/8325=1...(4) HG2 GLU 64 - HB2 GLU 38 OK 10 96 - 11 - 3560=1 HB2 GLU 56 - HB2 GLU 38 lone 7 83 - 9 - HG3 PRO 60 - HB2 GLU 38 lone 7 93 - 7 - 149/3.8=1 HG LEU 21 - HB2 GLU 38 lone 6 76 - 7 - HG3 PRO 60 - HB2 ARG 85 lone 5 91 - 6 - HG3 PRO 60 - HB3 ARG 85 lone 5 91 - 6 - HB2 ARG 57 - HB3 ARG 85 lone 4 94 - 5 - HB2 ARG 57 - HB2 ARG 85 lone 4 94 - 5 - HB3 ARG 81 - HB2 GLU 38 lone 4 99 - 4 - HB ILE 63 - HB2 ARG 85 lone 4 99 - 4 - HB ILE 63 - HB3 ARG 85 lone 4 99 - 4 - HB2 LEU 114 - HB2 ARG 85 lone 3 76 - 4 - HB2 LEU 114 - HB3 ARG 85 lone 3 76 - 4 - HB2 GLU 15 - HB2 GLU 38 lone 3 65 - 5 - HB2 LEU 114 - HB2 GLU 38 lone 3 78 - 4 - HB2 GLN 105 - HB2 GLU 38 lone 3 89 - 3 - HB2 GLN 16 - HB2 GLU 38 lone 2 85 - 3 - HG LEU 21 - HB2 ARG 85 lone 2 74 - 3 - HG LEU 21 - HB3 ARG 85 lone 2 74 - 3 - HB3 GLN 16 - HB2 GLU 38 lone 2 83 - 3 - HG2 GLU 64 - HB2 ARG 85 lone 2 94 - 2 - HG2 GLU 64 - HB3 ARG 85 lone 2 94 - 2 - HG3 PRO 37 - HB3 ARG 85 lone 2 96 - 2 - HG3 PRO 37 - HB2 ARG 85 lone 2 96 - 2 - HG3 PRO 70 - HB3 ARG 85 lone 1 83 - 1 - HG3 PRO 70 - HB2 ARG 85 lone 1 83 - 1 - HB2 GLU 15 - HB3 ARG 85 lone 1 63 - 1 - HB2 GLU 15 - HB2 ARG 85 lone 1 63 - 1 - HB3 ARG 81 - HB3 ARG 85 lone 1 97 - 1 - HB3 ARG 81 - HB2 ARG 85 lone 1 97 - 1 - HB2 GLU 56 - HB3 ARG 85 lone 1 81 - 1 - HB2 GLU 56 - HB2 ARG 85 lone 1 81 - 1 - HB2 GLN 105 - HB3 ARG 85 lone 0 87 - 1 - HB2 GLN 105 - HB2 ARG 85 lone 0 87 - 1 - HB2 GLN 16 - HB2 ARG 85 lone 0 83 - 1 - HB2 GLN 16 - HB3 ARG 85 lone 0 83 - 1 - HB3 GLN 16 - HB2 ARG 85 lone 0 81 - 1 - HB3 GLN 16 - HB3 ARG 85 lone 0 81 - 1 - Peak 2709 from cnoeabs.peaks (2.24, 1.94, 29.14 ppm; 2.97 A): 2 out of 42 assignments used, quality = 1.00: * HG2 GLU 38 + HB2 GLU 38 OK 98 100 - 98 - 3.0=97, 2726/1.8=7...(11) HG3 GLU 38 + HB2 GLU 38 OK 98 100 - 98 - 3.0=97, 2726/1.8=7...(11) HB3 PRO 37 - HB2 GLU 38 OK 19 71 - 26 - 3.9/928=6, 2703/3.0=2...(12) HB2 PRO 70 - HB2 GLU 38 OK 15 100 - 15 - 3814/1.8=2, 3.0/8325=1...(6) HG2 GLU 94 - HB2 GLU 38 OK 12 100 - 12 - 1.8/4539=1, 3.0/4521=1...(5) HG2 GLU 38 - HB2 ARG 85 OK 12 99 - 12 - 2719=1, 3.0/2708=1, 4.0/2701=1 HG2 GLU 38 - HB3 ARG 85 OK 12 99 - 12 - 2719=1, 3.0/2708=1, 4.0/2701=1 HG3 GLU 38 - HB2 ARG 85 OK 12 99 - 12 - 2725=1, 3.0/2708=1, 4.0/2701=1 HG3 GLU 38 - HB3 ARG 85 OK 12 99 - 12 - 2725=1, 3.0/2708=1, 4.0/2701=1 HG3 GLU 64 - HB2 GLU 38 OK 12 100 - 12 - 3568/1.8=1, 1.8/2708=1, 3566=1 HG2 GLU 94 - HB3 ARG 85 lone 9 99 - 9 - 1.8/4539=1, 3.0/4521=1 HG2 GLU 94 - HB2 ARG 85 lone 9 99 - 9 - 1.8/4539=1, 3.0/4521=1 HG2 GLU 56 - HB2 GLU 38 lone 8 99 - 8 - HG3 GLU 94 - HB2 GLU 38 poor 7 60 - 12 - 3.0/4521=1, 4539=1 HG3 GLU 28 - HB2 GLU 38 lone 6 99 - 6 - HB3 LEU 117 - HB2 GLU 38 lone 6 99 - 6 - HG2 GLU 28 - HB2 GLU 38 lone 6 97 - 6 - HG3 GLU 94 - HB2 ARG 85 lone 5 58 - 9 - 3.0/4521=1 HG3 GLU 94 - HB3 ARG 85 lone 5 58 - 9 - 3.0/4521=1 HG3 GLU 15 - HB2 GLU 38 lone 5 97 - 5 - HB2 PRO 68 - HB2 GLU 38 lone 4 99 - 4 - HB2 CYS 87 - HB2 GLU 38 lone 4 60 - 6 - HB2 PRO 68 - HB2 ARG 85 lone 4 98 - 4 - HB2 PRO 68 - HB3 ARG 85 lone 4 98 - 4 - HG3 GLU 64 - HB2 ARG 85 lone 3 99 - 3 - HG3 GLU 64 - HB3 ARG 85 lone 3 99 - 3 - HB2 CYS 87 - HB3 ARG 85 lone 2 58 - 3 - 3.6/7523=1 HB2 CYS 87 - HB2 ARG 85 lone 2 58 - 3 - 3.6/7523=1 HG3 GLU 15 - HB3 ARG 85 lone 2 95 - 2 - HG3 GLU 15 - HB2 ARG 85 lone 2 95 - 2 - HB3 PRO 37 - HB3 ARG 85 lone 1 69 - 2 - 3.9/928=1 HB3 PRO 37 - HB2 ARG 85 lone 1 69 - 2 - 3.9/928=1 HB2 PRO 70 - HB2 ARG 85 lone 1 99 - 1 - HB2 PRO 70 - HB3 ARG 85 lone 1 99 - 1 - HG3 GLU 28 - HB3 ARG 85 lone 1 97 - 1 - HG3 GLU 28 - HB2 ARG 85 lone 1 97 - 1 - HG2 GLU 28 - HB2 ARG 85 lone 1 96 - 1 - HG2 GLU 28 - HB3 ARG 85 lone 1 96 - 1 - HB3 LEU 117 - HB3 ARG 85 lone 1 98 - 1 - HB3 LEU 117 - HB2 ARG 85 lone 1 98 - 1 - HG2 GLU 56 - HB2 ARG 85 lone 1 98 - 1 - HG2 GLU 56 - HB3 ARG 85 lone 1 98 - 1 - Peak 2710 from cnoeabs.peaks (2.24, 1.94, 29.14 ppm; 2.97 A): 2 out of 42 assignments used, quality = 1.00: * HG3 GLU 38 + HB2 GLU 38 OK 98 100 - 98 - 3.0=97, 2726/1.8=7...(11) HG2 GLU 38 + HB2 GLU 38 OK 98 100 - 98 - 3.0=97, 2726/1.8=7...(11) HB3 PRO 37 - HB2 GLU 38 OK 18 68 - 26 - 3.9/928=6, 2703/3.0=2...(12) HB2 PRO 70 - HB2 GLU 38 OK 15 100 - 15 - 3814/1.8=2, 3.0/8325=1...(6) HG2 GLU 94 - HB2 GLU 38 OK 12 100 - 12 - 1.8/4539=1, 3.0/4521=1...(5) HG3 GLU 38 - HB2 ARG 85 OK 12 99 - 12 - 2725=1, 3.0/2708=1, 4.0/2701=1 HG3 GLU 38 - HB3 ARG 85 OK 12 99 - 12 - 2725=1, 3.0/2708=1, 4.0/2701=1 HG2 GLU 38 - HB2 ARG 85 OK 12 99 - 12 - 2719=1, 3.0/2708=1, 4.0/2701=1 HG2 GLU 38 - HB3 ARG 85 OK 12 99 - 12 - 2719=1, 3.0/2708=1, 4.0/2701=1 HG3 GLU 64 - HB2 GLU 38 OK 12 100 - 12 - 3568/1.8=1, 1.8/2708=1, 3566=1 HG2 GLU 94 - HB3 ARG 85 lone 9 99 - 9 - 1.8/4539=1, 3.0/4521=1 HG2 GLU 94 - HB2 ARG 85 lone 9 99 - 9 - 1.8/4539=1, 3.0/4521=1 HG2 GLU 56 - HB2 GLU 38 lone 8 100 - 8 - HG3 GLU 94 - HB2 GLU 38 poor 7 63 - 12 - 3.0/4521=1, 4539=1 HG3 GLU 28 - HB2 GLU 38 lone 6 98 - 6 - HB3 LEU 117 - HB2 GLU 38 lone 6 99 - 6 - HG2 GLU 28 - HB2 GLU 38 lone 6 97 - 6 - HG3 GLU 94 - HB2 ARG 85 lone 6 61 - 9 - 3.0/4521=1, 4539=1 HG3 GLU 94 - HB3 ARG 85 lone 6 61 - 9 - 3.0/4521=1, 4539=1 HG3 GLU 15 - HB2 GLU 38 lone 5 97 - 5 - HB2 PRO 68 - HB2 GLU 38 lone 4 99 - 4 - HB2 CYS 87 - HB2 GLU 38 lone 4 63 - 6 - HB2 PRO 68 - HB2 ARG 85 lone 4 98 - 4 - HB2 PRO 68 - HB3 ARG 85 lone 4 98 - 4 - HG3 GLU 64 - HB2 ARG 85 lone 3 99 - 3 - HG3 GLU 64 - HB3 ARG 85 lone 3 99 - 3 - HB2 CYS 87 - HB3 ARG 85 lone 2 61 - 3 - 3.6/7523=1 HB2 CYS 87 - HB2 ARG 85 lone 2 61 - 3 - 3.6/7523=1 HG3 GLU 15 - HB2 ARG 85 lone 2 96 - 2 - HG3 GLU 15 - HB3 ARG 85 lone 2 96 - 2 - HB2 PRO 70 - HB2 ARG 85 lone 1 99 - 1 - HB2 PRO 70 - HB3 ARG 85 lone 1 99 - 1 - HB3 PRO 37 - HB3 ARG 85 lone 1 66 - 2 - 3.9/928=1 HB3 PRO 37 - HB2 ARG 85 lone 1 66 - 2 - 3.9/928=1 HG3 GLU 28 - HB3 ARG 85 lone 1 97 - 1 - HG3 GLU 28 - HB2 ARG 85 lone 1 97 - 1 - HG2 GLU 28 - HB2 ARG 85 lone 1 95 - 1 - HG2 GLU 28 - HB3 ARG 85 lone 1 95 - 1 - HB3 LEU 117 - HB3 ARG 85 lone 1 97 - 1 - HB3 LEU 117 - HB2 ARG 85 lone 1 97 - 1 - HG2 GLU 56 - HB2 ARG 85 lone 1 99 - 1 - HG2 GLU 56 - HB3 ARG 85 lone 1 99 - 1 - Peak 2711 from cnoeabs.peaks (8.52, 2.06, 29.14 ppm; 3.70 A): 1 out of 27 assignments used, quality = 0.95: * H GLU 38 + HB3 GLU 38 OK 95 100 - 95 - 3.8=90, 928/1.8=16...(12) H GLU 38 - HB2 ARG 57 OK 29 96 - 31 - 929=5, ~6076=4...(13) H LEU 41 - HB3 GLU 38 OK 16 81 - 20 - 1586/3.0=8, 1585/4.4=6...(5) H LEU 77 - HB3 GLU 38 OK 15 97 - 16 - 1653/3.0=4, 3.6/7326=2...(7) H GLU 94 - HB3 GLU 38 OK 13 85 - 15 - 1240/1.8=3, 2699/3.0=2...(5) H ARG 53 - HB2 ARG 57 OK 12 68 - 17 - 231/3.7=3, 1014/1.8=2...(6) H GLU 38 - HB2 GLU 56 poor 9 43 - 21 - 149=3, 146/1.8=2...(9) H SER 13 - HB3 GLU 38 poor 8 83 - 10 - 800/3.0=2, 4.6/6300=1 H GLU 28 - HB3 GLU 38 lone 7 78 - 9 - 2699/3.0=2, 886/3.0=1...(5) H ARG 53 - HB3 GLU 38 lone 7 76 - 9 - 6004/3.0=2, 1622/4.4=1 H ARG 53 - HB2 GLU 56 poor 7 27 - 26 - 3.0/6066=5, ~6068=5...(9) H LEU 77 - HB2 ARG 57 lone 6 90 - 6 - 3.6/7326=1, 365/3.5=1 H LYS 31 - HB3 GLU 38 lone 5 73 - 7 - 3.9/2713=1, 2699/3.0=1 H LEU 41 - HB2 ARG 57 lone 4 73 - 6 - H LEU 84 - HB3 GLU 38 lone 3 71 - 5 - H SER 13 - HB2 ARG 57 lone 3 75 - 4 - H GLU 94 - HB2 ARG 57 lone 2 77 - 3 - H LEU 84 - HB2 ARG 57 lone 2 63 - 3 - H GLU 28 - HB2 GLU 56 lone 2 28 - 6 - 882/3.0=1 H GLU 28 - HB2 ARG 57 lone 2 71 - 2 - H LYS 31 - HB2 ARG 57 lone 1 66 - 2 - H LEU 77 - HB2 GLU 56 lone 1 38 - 2 - H LEU 41 - HB2 GLU 56 lone 1 29 - 3 - H LEU 84 - HB2 GLU 56 lone 1 24 - 3 - H GLU 94 - HB2 GLU 56 lone 1 31 - 2 - H SER 13 - HB2 GLU 56 lone 0 30 - 1 - H LYS 31 - HB2 GLU 56 lone 0 26 - 1 - Peak 2712 from cnoeabs.peaks (3.76, 2.06, 29.14 ppm; 3.66 A): 1 out of 33 assignments used, quality = 1.00: * HA GLU 38 + HB3 GLU 38 OK 100 100 - 100 - 3.0=100 HA GLU 38 - HB2 ARG 57 OK 40 96 - 42 - 6076/1.8=6, 2702=6...(13) HD2 PRO 30 - HB3 GLU 38 OK 27 99 - 28 - 2706/1.8=4, 927/3.8=3...(16) HA LEU 54 - HB2 ARG 57 OK 26 90 - 30 - 1639/3.7=7, 6073=5...(7) HA LEU 54 - HB3 GLU 38 OK 20 97 - 20 - 6073=3, 4.0/8503=3...(8) HA CYS 87 - HB3 GLU 38 OK 13 100 - 13 - 2706/1.8=2, 4338/3.0=2...(4) HA GLU 73 - HB2 ARG 57 OK 12 84 - 14 - 6076/1.8=2, 6082/3.5=2...(4) HA LEU 54 - HB2 GLU 56 OK 11 38 - 29 - 6071/3.7=10, 1639/4.6=6...(9) HB3 SER 13 - HB3 GLU 38 OK 11 99 - 11 - 4.5/6300=1, 927/3.8=1 HA GLU 38 - HB2 GLU 56 poor 9 43 - 21 - 1639/4.6=3, 6710/1.8=2...(6) HA GLU 73 - HB3 GLU 38 lone 9 92 - 10 - 6084/3.8=2 HA CYS 87 - HB2 ARG 57 lone 9 96 - 9 - 7069/4.2=2, 1639/3.7=2 HD2 PRO 30 - HB2 ARG 57 lone 5 93 - 5 - 7069/4.2=1 HB3 SER 13 - HB2 ARG 57 lone 5 94 - 5 - HB3 SER 90 - HB2 ARG 57 lone 4 63 - 7 - 6076/1.8=1, 1639/3.7=1 HB3 SER 74 - HB3 GLU 38 lone 4 76 - 5 - HB2 SER 74 - HB3 GLU 38 lone 4 73 - 5 - HB2 SER 72 - HB2 ARG 57 lone 3 79 - 4 - HB3 SER 35 - HB3 GLU 38 lone 3 100 - 3 - HB2 SER 72 - HB3 GLU 38 lone 3 87 - 3 - HB3 SER 90 - HB3 GLU 38 lone 3 71 - 4 - HA CYS 87 - HB2 GLU 56 lone 2 43 - 6 - 1639/4.6=1 HB3 SER 74 - HB2 ARG 57 lone 2 68 - 3 - HB3 SER 35 - HB2 ARG 57 lone 2 96 - 2 - HB2 SER 74 - HB2 ARG 57 lone 2 66 - 3 - HA GLU 73 - HB2 GLU 56 lone 1 35 - 3 - 1639/4.6=1 HD2 PRO 30 - HB2 GLU 56 lone 1 40 - 2 - HB3 SER 13 - HB2 GLU 56 lone 1 41 - 2 - HB3 SER 90 - HB2 GLU 56 lone 0 24 - 2 - HB3 SER 35 - HB2 GLU 56 lone 0 43 - 1 - HB2 SER 72 - HB2 GLU 56 lone 0 32 - 1 - HB3 SER 74 - HB2 GLU 56 lone 0 27 - 1 - HB2 SER 74 - HB2 GLU 56 lone 0 26 - 1 - Peak 2713 from cnoeabs.peaks (1.94, 2.06, 29.14 ppm; 2.79 A): 1 out of 42 assignments used, quality = 1.00: * HB2 GLU 38 + HB3 GLU 38 OK 100 100 - 100 - 1.8=100 HB2 GLU 38 - HB2 ARG 57 OK 21 96 - 22 - 2708=3, 3.0/6074=2...(7) HB3 PRO 30 - HB3 GLU 38 OK 17 99 - 17 - 2701/3.0=2, 928/3.8=1...(5) HB2 GLU 64 - HB3 GLU 38 OK 16 100 - 16 - 3550=2, 1.8/3556=1, 2701/3.0=1 HB3 GLU 64 - HB3 GLU 38 OK 16 99 - 16 - 3550=2, 1.8/3550=1, 2701/3.0=1 HB2 ARG 85 - HB3 GLU 38 OK 15 99 - 15 - 2708=2, 1.8/2708=2, 2701/3.0=1 HB3 ARG 85 - HB3 GLU 38 OK 15 99 - 15 - 2708=2, 1.8/2708=2, 2701/3.0=1 HB3 LYS 119 - HB2 ARG 57 OK 14 95 - 14 - 5210/3.7=2, 4.0/3299=1 HG LEU 58 - HB2 ARG 57 OK 13 92 - 15 - 3368/4.2=5, ~8404=2...(4) HB2 LEU 21 - HB2 ARG 57 OK 11 84 - 13 - 3.1/8503=2, ~8502=2...(4) HB3 GLU 94 - HB3 GLU 38 OK 11 96 - 12 - ~6005=1, 2701/3.0=1, 928/3.8=1 HB2 LEU 21 - HB3 GLU 38 lone 7 92 - 7 - HB2 GLU 64 - HB2 ARG 57 lone 6 95 - 6 - HB3 GLU 64 - HB2 ARG 57 lone 6 94 - 6 - HB2 ARG 85 - HB2 ARG 57 lone 5 94 - 5 - HB3 ARG 85 - HB2 ARG 57 lone 5 94 - 5 - HB3 GLU 69 - HB2 ARG 57 lone 4 95 - 4 - HB2 GLU 38 - HB2 GLU 56 lone 4 43 - 10 - 2708=1 HG LEU 58 - HB3 GLU 38 lone 4 98 - 4 - HB2 LYS 109 - HB3 GLU 38 lone 4 100 - 4 - HB3 LYS 119 - HB3 GLU 38 lone 4 100 - 4 - HB3 GLU 69 - HB3 GLU 38 lone 4 100 - 4 - HB2 LYS 109 - HB2 ARG 57 lone 4 95 - 4 - 1049/4.2=1 HB ILE 80 - HB2 ARG 57 lone 3 77 - 4 - HB3 PRO 30 - HB2 ARG 57 lone 2 94 - 2 - HB ILE 80 - HB3 GLU 38 lone 2 85 - 2 - HB3 LYS 119 - HB2 GLU 56 lone 1 43 - 3 - 5210/4.6=2 HB3 GLU 94 - HB2 ARG 57 lone 1 89 - 1 - HB3 GLU 69 - HB2 GLU 56 lone 1 43 - 2 - HB2 GLU 64 - HB2 GLU 56 lone 1 42 - 2 - HB3 GLU 64 - HB2 GLU 56 lone 1 41 - 2 - HB3 MET 11 - HB3 GLU 38 lone 1 71 - 1 - HG LEU 58 - HB2 GLU 56 lone 1 40 - 2 - HB3 PRO 30 - HB2 GLU 56 lone 1 41 - 1 - HB3 MET 11 - HB2 ARG 57 lone 1 63 - 1 - HB ILE 80 - HB2 GLU 56 lone 0 31 - 2 - HB3 GLU 94 - HB2 GLU 56 lone 0 38 - 1 - HB2 LYS 109 - HB2 GLU 56 lone 0 42 - 1 - HB2 ARG 85 - HB2 GLU 56 lone 0 41 - 1 - HB3 ARG 85 - HB2 GLU 56 lone 0 41 - 1 - HB2 LEU 21 - HB2 GLU 56 lone 0 35 - 1 - HB3 MET 11 - HB2 GLU 56 lone 0 24 - 0 - Peak 2714 from cnoeabs.peaks (2.06, 2.06, 29.14 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 38 + HB3 GLU 38 OK 100 100 - 100 HB2 ARG 57 + HB2 ARG 57 OK 89 89 - 100 HB2 GLU 56 - HB2 GLU 56 OK 30 30 - 100 Peak 2715 from cnoeabs.peaks (2.24, 2.06, 29.14 ppm; 3.01 A): 2 out of 42 assignments used, quality = 1.00: * HG2 GLU 38 + HB3 GLU 38 OK 100 100 - 100 - 3.0=100 HG3 GLU 38 + HB3 GLU 38 OK 100 100 - 100 - 3.0=100 HG2 GLU 56 - HB2 GLU 56 OK 41 41 - 100 - 3.0=100 HB3 PRO 37 - HB3 GLU 38 OK 20 71 - 28 - 3.9/2711=5, 2703/3.0=2...(13) HB3 PRO 37 - HB2 ARG 57 OK 19 63 - 31 - 2.3/2689=2, 3.9/2711=2...(11) HG2 GLU 38 - HB2 ARG 57 OK 19 96 - 20 - 2726=2, 3.0/2708=2...(7) HG3 GLU 38 - HB2 ARG 57 OK 19 96 - 20 - 2726=2, 3.0/2708=2...(7) HB2 PRO 70 - HB3 GLU 38 OK 17 100 - 17 - 3814=2, 1.8/3821=2...(7) HB2 PRO 70 - HB2 GLU 56 OK 14 42 - 33 - 3814=5, 3277/1.8=3...(15) HG3 GLU 64 - HB3 GLU 38 OK 14 100 - 14 - 3568=2, 3.0/2713=1, 3.0/2713=1 HG2 GLU 56 - HB2 ARG 57 OK 13 94 - 14 - 5636/3.7=4, 3282/1.8=2, ~3288=1 HG2 GLU 94 - HB3 GLU 38 OK 12 100 - 12 - 3568=1, 2704/3.0=1, 2709/1.8=1 HB2 PRO 68 - HB2 GLU 56 OK 10 41 - 25 - 3731/3.0=3, 3277/1.8=3...(9) HG2 GLU 56 - HB3 GLU 38 lone 9 99 - 9 - HB3 PRO 37 - HB2 GLU 56 poor 8 24 - 33 - 2.3/2689=3, 1.8/2675=2...(17) HG3 GLU 94 - HB3 GLU 38 poor 7 60 - 12 - 1.8/3568=1 HG3 GLU 28 - HB3 GLU 38 lone 7 99 - 7 - HB3 LEU 117 - HB3 GLU 38 lone 7 99 - 7 - HB3 LEU 117 - HB2 GLU 56 poor 7 41 - 17 - 3277/1.8=2, 3289/3.0=2...(4) HG2 GLU 28 - HB3 GLU 38 lone 7 97 - 7 - HG3 GLU 15 - HB2 ARG 57 lone 6 90 - 7 - 6321/3.0=1 HG3 GLU 64 - HB2 ARG 57 lone 6 95 - 6 - HG2 GLU 38 - HB2 GLU 56 poor 5 43 - 13 - 3277/1.8=1, 2726=1 HG3 GLU 38 - HB2 GLU 56 poor 5 43 - 13 - 3277/1.8=1, 2726=1 HG3 GLU 15 - HB3 GLU 38 lone 5 97 - 5 - HB3 LEU 117 - HB2 ARG 57 lone 5 93 - 5 - 5907/4.2=2, 261/3.7=1 HB2 PRO 70 - HB2 ARG 57 lone 4 95 - 5 - 8318/3.7=2 HB2 PRO 68 - HB3 GLU 38 lone 4 99 - 4 - HB2 CYS 87 - HB3 GLU 38 lone 3 60 - 5 - HG3 GLU 28 - HB2 GLU 56 lone 3 40 - 6 - HG2 GLU 28 - HB2 GLU 56 lone 2 39 - 6 - HG3 GLU 15 - HB2 GLU 56 lone 2 38 - 5 - HB2 PRO 68 - HB2 ARG 57 lone 2 94 - 2 - HB2 CYS 87 - HB2 ARG 57 lone 2 53 - 3 - HG3 GLU 28 - HB2 ARG 57 lone 1 93 - 1 - HG2 GLU 28 - HB2 ARG 57 lone 1 91 - 1 - HG2 GLU 94 - HB2 ARG 57 lone 1 96 - 1 - HG3 GLU 64 - HB2 GLU 56 lone 1 42 - 2 - HG2 GLU 94 - HB2 GLU 56 lone 1 43 - 2 - HG3 GLU 94 - HB2 ARG 57 lone 0 53 - 1 - HB2 CYS 87 - HB2 GLU 56 lone 0 20 - 2 - HG3 GLU 94 - HB2 GLU 56 lone 0 20 - 2 - Peak 2716 from cnoeabs.peaks (2.24, 2.06, 29.14 ppm; 3.01 A): 2 out of 42 assignments used, quality = 1.00: * HG3 GLU 38 + HB3 GLU 38 OK 100 100 - 100 - 3.0=100 HG2 GLU 38 + HB3 GLU 38 OK 100 100 - 100 - 3.0=100 HG2 GLU 56 - HB2 GLU 56 OK 42 42 - 100 - 3.0=100 HB3 PRO 37 - HB3 GLU 38 OK 19 68 - 28 - 3.9/2711=5, 2703/3.0=2...(13) HG3 GLU 38 - HB2 ARG 57 OK 19 96 - 20 - 2726=2, 3.0/2708=2...(7) HG2 GLU 38 - HB2 ARG 57 OK 19 96 - 20 - 2726=2, 3.0/2708=2...(7) HB3 PRO 37 - HB2 ARG 57 OK 19 61 - 31 - 2.3/2689=2, 3.9/2711=2...(11) HB2 PRO 70 - HB3 GLU 38 OK 17 100 - 17 - 3814=2, 1.8/3821=2...(7) HB2 PRO 70 - HB2 GLU 56 OK 14 42 - 33 - 3814=5, 3277/1.8=3...(15) HG3 GLU 64 - HB3 GLU 38 OK 14 100 - 14 - 3568=2, 3.0/2713=1, 3.0/2713=1 HG2 GLU 56 - HB2 ARG 57 OK 13 94 - 14 - 5636/3.7=4, 3282/1.8=2, ~3288=1 HG2 GLU 94 - HB3 GLU 38 OK 12 100 - 12 - 3568=1, 2704/3.0=1, 2709/1.8=1 HB2 PRO 68 - HB2 GLU 56 OK 10 41 - 25 - 3731/3.0=3, 3277/1.8=3...(9) HG2 GLU 56 - HB3 GLU 38 lone 9 100 - 9 - HB3 PRO 37 - HB2 GLU 56 poor 8 23 - 33 - 2.3/2689=3, 1.8/2675=2...(17) HG3 GLU 94 - HB3 GLU 38 poor 7 63 - 12 - 1.8/3568=1 HG3 GLU 28 - HB3 GLU 38 lone 7 98 - 7 - HB3 LEU 117 - HB3 GLU 38 lone 7 99 - 7 - HB3 LEU 117 - HB2 GLU 56 poor 7 40 - 17 - 3277/1.8=2, 3289/3.0=2...(4) HG2 GLU 28 - HB3 GLU 38 lone 7 97 - 7 - HG3 GLU 15 - HB2 ARG 57 lone 6 91 - 7 - 6321/3.0=1 HG3 GLU 64 - HB2 ARG 57 lone 6 95 - 6 - HG3 GLU 38 - HB2 GLU 56 poor 6 43 - 13 - 3277/1.8=1, 2726=1 HG2 GLU 38 - HB2 GLU 56 poor 5 43 - 13 - 3277/1.8=1, 2726=1 HG3 GLU 15 - HB3 GLU 38 lone 5 97 - 5 - HB3 LEU 117 - HB2 ARG 57 lone 5 93 - 5 - 5907/4.2=2, 261/3.7=1 HB2 PRO 70 - HB2 ARG 57 lone 4 95 - 5 - 8318/3.7=2 HB2 PRO 68 - HB3 GLU 38 lone 4 99 - 4 - HB2 CYS 87 - HB3 GLU 38 lone 3 63 - 5 - HG3 GLU 28 - HB2 GLU 56 lone 2 40 - 6 - HG2 GLU 28 - HB2 GLU 56 lone 2 38 - 6 - HG3 GLU 15 - HB2 GLU 56 lone 2 39 - 5 - HB2 PRO 68 - HB2 ARG 57 lone 2 93 - 2 - HB2 CYS 87 - HB2 ARG 57 lone 2 56 - 3 - HG3 GLU 28 - HB2 ARG 57 lone 1 92 - 1 - HG2 GLU 28 - HB2 ARG 57 lone 1 90 - 1 - HG2 GLU 94 - HB2 ARG 57 lone 1 95 - 1 - HG3 GLU 64 - HB2 GLU 56 lone 1 42 - 2 - HG2 GLU 94 - HB2 GLU 56 lone 1 43 - 2 - HG3 GLU 94 - HB2 ARG 57 lone 1 56 - 1 - HB2 CYS 87 - HB2 GLU 56 lone 0 21 - 2 - HG3 GLU 94 - HB2 GLU 56 lone 0 21 - 2 - Peak 2717 from cnoeabs.peaks (8.52, 2.24, 37.59 ppm; 3.55 A): 2 out of 18 assignments used, quality = 0.91: * H GLU 38 + HG2 GLU 38 OK 69 100 - 69 - 5.0=36, 928/3.0=11...(10) H GLU 38 + HG3 GLU 38 OK 69 100 - 69 - 5.0=36, 928/3.0=11...(10) H GLU 94 - HG2 GLU 38 OK 16 85 - 19 - 1241=3, 1241/1.8=2...(10) H GLU 94 - HG3 GLU 38 OK 16 85 - 19 - 1241=3, 1241/1.8=2...(10) H LEU 41 - HG2 GLU 38 OK 14 81 - 18 - 1586/4.0=5, 1585/4.9=4...(5) H LEU 41 - HG3 GLU 38 OK 14 81 - 18 - 1586/4.0=5, 1585/4.9=4...(5) H GLU 28 - HG2 GLU 38 OK 11 78 - 14 - 886=2, 886/1.8=2...(4) H GLU 28 - HG3 GLU 38 OK 11 78 - 14 - 886=2, 886/1.8=2...(4) H LEU 77 - HG2 GLU 38 OK 11 97 - 12 - 1653/4.0=3, 1480/4.9=2...(5) H LEU 77 - HG3 GLU 38 OK 11 97 - 11 - 1653/4.0=3, 1480/4.9=2...(5) H SER 13 - HG2 GLU 38 lone 7 83 - 9 - 4.6/6301=2, 800/4.0=2 H SER 13 - HG3 GLU 38 lone 7 83 - 9 - 4.6/6301=2, 800/4.0=2 H ARG 53 - HG2 GLU 38 lone 6 76 - 8 - 1622/4.9=1, 6004/4.0=1 H ARG 53 - HG3 GLU 38 lone 6 76 - 8 - 1622/4.9=1, 6004/4.0=1 H LYS 31 - HG2 GLU 38 lone 4 73 - 5 - H LYS 31 - HG3 GLU 38 lone 4 73 - 5 - H LEU 84 - HG2 GLU 38 lone 3 71 - 4 - H LEU 84 - HG3 GLU 38 lone 3 71 - 4 - Peak 2718 from cnoeabs.peaks (3.76, 2.24, 37.59 ppm; 3.33 A): 2 out of 22 assignments used, quality = 0.97: HA GLU 38 + HG3 GLU 38 OK 82 100 - 82 - 4.0=56, 2704/1.8=9...(22) * HA GLU 38 + HG2 GLU 38 OK 82 100 - 82 - 4.0=56, 2704/1.8=9...(22) HD2 PRO 30 - HG2 GLU 38 OK 15 99 - 15 - 2706/3.0=2, 2712/3.0=2...(4) HD2 PRO 30 - HG3 GLU 38 OK 15 99 - 15 - 2706/3.0=2, 2712/3.0=2...(4) HA CYS 87 - HG3 GLU 38 OK 12 100 - 12 - 4338/1.8=2, 4338=1, 2706/3.0=1 HA CYS 87 - HG2 GLU 38 OK 12 100 - 12 - 4338/1.8=2, 4338=1, 2706/3.0=1 HA LEU 54 - HG2 GLU 38 lone 8 97 - 9 - 6073/3.0=2, 5621/4.9=1...(4) HA LEU 54 - HG3 GLU 38 lone 8 97 - 9 - 6073/3.0=2, 5621/4.9=1...(4) HB3 SER 13 - HG2 GLU 38 lone 8 99 - 8 - 4.5/6301=2 HB3 SER 13 - HG3 GLU 38 lone 8 99 - 8 - 4.5/6301=2 HA GLU 73 - HG2 GLU 38 lone 4 92 - 5 - 6084/5.0=2 HA GLU 73 - HG3 GLU 38 lone 4 92 - 5 - 6084/5.0=2 HB3 SER 74 - HG3 GLU 38 lone 3 76 - 4 - 4.6/7305=1 HB3 SER 74 - HG2 GLU 38 lone 3 76 - 4 - 4.6/7305=1 HB2 SER 74 - HG3 GLU 38 lone 3 73 - 4 - 4.6/7305=1 HB2 SER 74 - HG2 GLU 38 lone 3 73 - 4 - 4.6/7305=1 HB3 SER 35 - HG2 GLU 38 lone 3 100 - 2 - HB3 SER 35 - HG3 GLU 38 lone 3 100 - 2 - HB2 SER 72 - HG2 GLU 38 lone 2 87 - 2 - HB2 SER 72 - HG3 GLU 38 lone 2 87 - 2 - HB3 SER 90 - HG3 GLU 38 lone 1 71 - 2 - HB3 SER 90 - HG2 GLU 38 lone 1 71 - 2 - Peak 2719 from cnoeabs.peaks (1.94, 2.24, 37.59 ppm; 3.14 A): 2 out of 28 assignments used, quality = 1.00: * HB2 GLU 38 + HG2 GLU 38 OK 100 100 - 100 - 3.0=100 HB2 GLU 38 + HG3 GLU 38 OK 100 100 - 100 - 3.0=100 HB2 GLU 64 - HG2 GLU 38 OK 21 100 - 21 - 3551=2, 1.8/3551=2...(9) HB2 GLU 64 - HG3 GLU 38 OK 21 100 - 21 - 3551=2, 3551/1.8=2...(9) HB3 GLU 64 - HG2 GLU 38 OK 21 99 - 21 - 3551=2, 1.8/3551=2...(9) HB3 GLU 64 - HG3 GLU 38 OK 21 99 - 21 - 3551=2, 1.8/3551=2...(9) HB3 GLU 94 - HG2 GLU 38 OK 17 96 - 17 - 4528=2, 1.8/4522=2...(7) HB3 GLU 94 - HG3 GLU 38 OK 17 96 - 17 - 4528=2, 1.8/4522=2...(7) HB3 PRO 30 - HG2 GLU 38 OK 15 99 - 16 - 2701/4.0=2, 2713/3.0=1...(4) HB3 PRO 30 - HG3 GLU 38 OK 15 99 - 16 - 2701/4.0=2, 2713/3.0=1...(4) HB3 ARG 85 - HG2 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB2 ARG 85 - HG2 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB3 ARG 85 - HG3 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB2 ARG 85 - HG3 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB2 LEU 21 - HG3 GLU 38 lone 6 92 - 6 - HB2 LEU 21 - HG2 GLU 38 lone 6 92 - 6 - HB3 GLU 69 - HG2 GLU 38 lone 5 100 - 5 - HB3 GLU 69 - HG3 GLU 38 lone 5 100 - 5 - HB2 LYS 109 - HG2 GLU 38 lone 4 100 - 4 - HB2 LYS 109 - HG3 GLU 38 lone 4 100 - 4 - HB3 LYS 119 - HG2 GLU 38 lone 4 100 - 4 - HB3 LYS 119 - HG3 GLU 38 lone 4 100 - 4 - HG LEU 58 - HG3 GLU 38 lone 3 98 - 3 - HG LEU 58 - HG2 GLU 38 lone 3 98 - 3 - HB ILE 80 - HG2 GLU 38 lone 2 85 - 2 - HB ILE 80 - HG3 GLU 38 lone 2 85 - 2 - HB3 MET 11 - HG2 GLU 38 lone 1 71 - 1 - HB3 MET 11 - HG3 GLU 38 lone 1 71 - 1 - Peak 2720 from cnoeabs.peaks (2.06, 2.24, 37.59 ppm; 2.89 A): 2 out of 30 assignments used, quality = 0.99: * HB3 GLU 38 + HG2 GLU 38 OK 93 100 - 93 - 3.0=89, 1.8/2709=8...(11) HB3 GLU 38 + HG3 GLU 38 OK 93 100 - 93 - 3.0=89, 1.8/2709=8...(11) HG3 PRO 37 - HG2 GLU 38 OK 20 97 - 20 - 2702/4.0=2, 149/5.0=2...(6) HG3 PRO 37 - HG3 GLU 38 OK 20 97 - 20 - 2702/4.0=2, 149/5.0=2...(7) HB2 ARG 57 - HG2 GLU 38 OK 17 96 - 18 - 6074/4.0=2, 2716=2...(5) HB2 ARG 57 - HG3 GLU 38 OK 17 96 - 18 - 6074/4.0=2, 2716=2...(5) HG3 PRO 70 - HG2 GLU 38 OK 17 85 - 20 - 3832=2, 7272/4.9=2...(5) HG3 PRO 70 - HG3 GLU 38 OK 17 85 - 20 - 3832=2, 7272/4.9=2...(5) HB ILE 63 - HG2 GLU 38 OK 16 100 - 16 - 3563=1, 2708/3.0=1, 3563/1.8=1 HB ILE 63 - HG3 GLU 38 OK 16 100 - 16 - 3563=1, 2708/3.0=1, 3563/1.8=1 HG2 GLU 64 - HG2 GLU 38 OK 13 96 - 14 - 3563=2, 3563/1.8=1...(4) HG2 GLU 64 - HG3 GLU 38 OK 13 96 - 14 - 3563=2, 3563/1.8=1...(4) HB2 GLU 56 - HG2 GLU 38 poor 10 83 - 12 - 1.8/3277=1 HB2 GLU 56 - HG3 GLU 38 poor 10 83 - 12 - 1.8/3277=1 HB2 GLU 15 - HG3 GLU 38 poor 7 65 - 11 - 1915=1, 1.8/1921=1...(5) HB2 GLU 15 - HG2 GLU 38 poor 7 65 - 11 - 1915=1, 1.8/1921=1...(5) HG3 PRO 60 - HG2 GLU 38 lone 6 93 - 7 - HG3 PRO 60 - HG3 GLU 38 lone 6 93 - 7 - HB2 LEU 114 - HG2 GLU 38 lone 5 78 - 6 - HB2 LEU 114 - HG3 GLU 38 lone 5 78 - 6 - HB3 ARG 81 - HG2 GLU 38 lone 4 99 - 4 - HB3 ARG 81 - HG3 GLU 38 lone 4 99 - 4 - HG LEU 21 - HG2 GLU 38 lone 4 76 - 5 - HG LEU 21 - HG3 GLU 38 lone 4 76 - 5 - HB2 GLN 16 - HG2 GLU 38 lone 3 85 - 3 - HB2 GLN 16 - HG3 GLU 38 lone 3 85 - 3 - HB3 GLN 16 - HG2 GLU 38 lone 3 83 - 3 - HB3 GLN 16 - HG3 GLU 38 lone 3 83 - 3 - HB2 GLN 105 - HG2 GLU 38 lone 2 89 - 2 - HB2 GLN 105 - HG3 GLU 38 lone 2 89 - 2 - Peak 2721 from cnoeabs.peaks (2.24, 2.24, 37.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 38 + HG2 GLU 38 OK 100 100 - 100 HG3 GLU 38 + HG3 GLU 38 OK 100 100 - 100 Peak 2722 from cnoeabs.peaks (2.24, 2.24, 37.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 38 + HG3 GLU 38 OK 100 100 - 100 HG2 GLU 38 + HG2 GLU 38 OK 100 100 - 100 Reference assignment not found: HG3 GLU 38 - HG2 GLU 38 Peak 2723 from cnoeabs.peaks (8.52, 2.24, 37.59 ppm; 3.55 A): 2 out of 18 assignments used, quality = 0.91: H GLU 38 + HG2 GLU 38 OK 69 100 - 69 - 5.0=36, 928/3.0=11...(10) * H GLU 38 + HG3 GLU 38 OK 69 100 - 69 - 5.0=36, 928/3.0=11...(10) H GLU 94 - HG2 GLU 38 OK 16 85 - 19 - 1241=3, 1241/1.8=2...(10) H GLU 94 - HG3 GLU 38 OK 16 85 - 19 - 1241=3, 1241/1.8=2...(10) H LEU 41 - HG2 GLU 38 OK 14 81 - 18 - 1586/4.0=5, 1585/4.9=4...(5) H LEU 41 - HG3 GLU 38 OK 14 81 - 18 - 1586/4.0=5, 1585/4.9=4...(5) H GLU 28 - HG2 GLU 38 OK 11 78 - 14 - 886=2, 886/1.8=2...(4) H GLU 28 - HG3 GLU 38 OK 11 78 - 14 - 886=2, 886/1.8=2, 2699/4.0=1 H LEU 77 - HG2 GLU 38 OK 11 97 - 11 - 1653/4.0=3, 1480/4.9=2...(5) H LEU 77 - HG3 GLU 38 OK 11 97 - 11 - 1653/4.0=3, 1480/4.9=2...(5) H SER 13 - HG2 GLU 38 lone 7 83 - 9 - 4.6/6301=2, 800/4.0=2 H SER 13 - HG3 GLU 38 lone 7 83 - 9 - 4.6/6301=2, 800/4.0=2 H ARG 53 - HG2 GLU 38 lone 6 76 - 8 - 1622/4.9=1, 6004/4.0=1 H ARG 53 - HG3 GLU 38 lone 6 76 - 7 - 1622/4.9=1, 6004/4.0=1 H LYS 31 - HG3 GLU 38 lone 4 73 - 5 - H LYS 31 - HG2 GLU 38 lone 4 73 - 5 - H LEU 84 - HG2 GLU 38 lone 3 71 - 4 - H LEU 84 - HG3 GLU 38 lone 3 71 - 4 - Peak 2724 from cnoeabs.peaks (3.76, 2.24, 37.59 ppm; 3.33 A): 2 out of 22 assignments used, quality = 0.97: * HA GLU 38 + HG3 GLU 38 OK 82 100 - 82 - 4.0=56, 2704/1.8=9...(22) HA GLU 38 + HG2 GLU 38 OK 82 100 - 82 - 4.0=56, 2704/1.8=9...(22) HD2 PRO 30 - HG2 GLU 38 OK 15 99 - 15 - 2706/3.0=2, 2712/3.0=2...(4) HD2 PRO 30 - HG3 GLU 38 OK 15 99 - 15 - 2706/3.0=2, 2712/3.0=2...(4) HA CYS 87 - HG3 GLU 38 OK 12 100 - 12 - 4338/1.8=2, 4338=1, 2706/3.0=1 HA CYS 87 - HG2 GLU 38 OK 12 100 - 12 - 4338/1.8=2, 4338=1, 2706/3.0=1 HA LEU 54 - HG3 GLU 38 lone 8 97 - 9 - 6073/3.0=2, 5621/4.9=1...(4) HA LEU 54 - HG2 GLU 38 lone 8 97 - 9 - 6073/3.0=2, 5621/4.9=1...(4) HB3 SER 13 - HG2 GLU 38 lone 8 99 - 8 - 4.5/6301=2 HB3 SER 13 - HG3 GLU 38 lone 8 99 - 8 - 4.5/6301=2 HA GLU 73 - HG3 GLU 38 lone 4 92 - 5 - 6084/5.0=2 HA GLU 73 - HG2 GLU 38 lone 4 92 - 5 - 6084/5.0=2 HB3 SER 74 - HG3 GLU 38 lone 3 76 - 4 - 4.6/7305=1 HB3 SER 74 - HG2 GLU 38 lone 3 76 - 4 - 4.6/7305=1 HB2 SER 74 - HG3 GLU 38 lone 3 73 - 4 - 4.6/7305=1 HB2 SER 74 - HG2 GLU 38 lone 3 73 - 4 - 4.6/7305=1 HB3 SER 35 - HG2 GLU 38 lone 3 100 - 2 - HB3 SER 35 - HG3 GLU 38 lone 3 100 - 2 - HB2 SER 72 - HG2 GLU 38 lone 2 87 - 2 - HB2 SER 72 - HG3 GLU 38 lone 2 87 - 2 - HB3 SER 90 - HG3 GLU 38 lone 1 71 - 2 - HB3 SER 90 - HG2 GLU 38 lone 1 71 - 2 - Peak 2725 from cnoeabs.peaks (1.94, 2.24, 37.59 ppm; 3.14 A): 2 out of 28 assignments used, quality = 1.00: * HB2 GLU 38 + HG3 GLU 38 OK 100 100 - 100 - 3.0=100 HB2 GLU 38 + HG2 GLU 38 OK 100 100 - 100 - 3.0=100 HB2 GLU 64 - HG2 GLU 38 OK 21 100 - 21 - 3551=2, 3551/1.8=2...(9) HB2 GLU 64 - HG3 GLU 38 OK 21 100 - 21 - 3551=2, 3551/1.8=2...(9) HB3 GLU 64 - HG2 GLU 38 OK 21 99 - 21 - 3551=2, 1.8/3551=2...(9) HB3 GLU 64 - HG3 GLU 38 OK 21 99 - 21 - 3551=2, 1.8/3551=2...(9) HB3 GLU 94 - HG2 GLU 38 OK 17 96 - 17 - 4528=2, 1.8/4522=2...(7) HB3 GLU 94 - HG3 GLU 38 OK 17 96 - 17 - 4528=2, 1.8/4522=2...(7) HB3 PRO 30 - HG2 GLU 38 OK 15 99 - 16 - 2701/4.0=2, 2713/3.0=1...(4) HB3 PRO 30 - HG3 GLU 38 OK 15 99 - 16 - 2701/4.0=2, 2713/3.0=1...(4) HB2 ARG 85 - HG2 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB3 ARG 85 - HG2 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB3 ARG 85 - HG3 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB2 ARG 85 - HG3 GLU 38 OK 14 99 - 14 - 2709=1, 2708/3.0=1...(5) HB2 LEU 21 - HG3 GLU 38 lone 6 92 - 6 - HB2 LEU 21 - HG2 GLU 38 lone 6 92 - 6 - HB3 GLU 69 - HG2 GLU 38 lone 5 100 - 5 - HB3 GLU 69 - HG3 GLU 38 lone 5 100 - 5 - HB2 LYS 109 - HG2 GLU 38 lone 4 100 - 4 - HB2 LYS 109 - HG3 GLU 38 lone 4 100 - 4 - HB3 LYS 119 - HG2 GLU 38 lone 4 100 - 4 - HB3 LYS 119 - HG3 GLU 38 lone 4 100 - 4 - HG LEU 58 - HG2 GLU 38 lone 3 98 - 3 - HG LEU 58 - HG3 GLU 38 lone 3 98 - 3 - HB ILE 80 - HG3 GLU 38 lone 2 85 - 2 - HB ILE 80 - HG2 GLU 38 lone 2 85 - 2 - HB3 MET 11 - HG3 GLU 38 lone 1 71 - 1 - HB3 MET 11 - HG2 GLU 38 lone 1 71 - 1 - Peak 2726 from cnoeabs.peaks (2.06, 2.24, 37.59 ppm; 2.89 A): 2 out of 30 assignments used, quality = 0.99: * HB3 GLU 38 + HG3 GLU 38 OK 93 100 - 93 - 3.0=89, 1.8/2709=8...(11) HB3 GLU 38 + HG2 GLU 38 OK 93 100 - 93 - 3.0=89, 1.8/2709=8...(11) HG3 PRO 37 - HG2 GLU 38 OK 19 97 - 20 - 2702/4.0=2, 149/5.0=2...(6) HG3 PRO 37 - HG3 GLU 38 OK 19 97 - 20 - 2702/4.0=2, 149/5.0=2...(7) HB2 ARG 57 - HG2 GLU 38 OK 17 96 - 18 - 6074/4.0=2, 2716=2...(5) HB2 ARG 57 - HG3 GLU 38 OK 17 96 - 18 - 6074/4.0=2, 2716=2...(5) HG3 PRO 70 - HG3 GLU 38 OK 17 85 - 20 - 3832=2, 7272/4.9=2...(5) HG3 PRO 70 - HG2 GLU 38 OK 17 85 - 20 - 3832=2, 7272/4.9=2...(5) HB ILE 63 - HG2 GLU 38 OK 16 100 - 16 - 3563=1, 2708/3.0=1, 3563/1.8=1 HB ILE 63 - HG3 GLU 38 OK 16 100 - 16 - 3563=1, 2708/3.0=1, 3563/1.8=1 HG2 GLU 64 - HG2 GLU 38 OK 13 96 - 14 - 3563=2, 3563/1.8=1...(4) HG2 GLU 64 - HG3 GLU 38 OK 13 96 - 14 - 3563=2, 3563/1.8=1...(4) HB2 GLU 56 - HG3 GLU 38 poor 10 83 - 12 - 1.8/3277=1 HB2 GLU 56 - HG2 GLU 38 poor 10 83 - 12 - 1.8/3277=1 HB2 GLU 15 - HG3 GLU 38 poor 7 65 - 11 - 1915=1, 1.8/1921=1...(5) HB2 GLU 15 - HG2 GLU 38 poor 7 65 - 11 - 1915=1, 1.8/1921=1...(5) HG3 PRO 60 - HG2 GLU 38 lone 6 93 - 7 - HG3 PRO 60 - HG3 GLU 38 lone 6 93 - 7 - HB2 LEU 114 - HG2 GLU 38 lone 5 78 - 6 - HB2 LEU 114 - HG3 GLU 38 lone 5 78 - 6 - HB3 ARG 81 - HG2 GLU 38 lone 4 99 - 4 - HB3 ARG 81 - HG3 GLU 38 lone 4 99 - 4 - HG LEU 21 - HG3 GLU 38 lone 4 76 - 5 - HG LEU 21 - HG2 GLU 38 lone 4 76 - 5 - HB2 GLN 16 - HG3 GLU 38 lone 3 85 - 3 - HB2 GLN 16 - HG2 GLU 38 lone 3 85 - 3 - HB3 GLN 16 - HG3 GLU 38 lone 3 83 - 3 - HB3 GLN 16 - HG2 GLU 38 lone 3 83 - 3 - HB2 GLN 105 - HG2 GLU 38 lone 2 89 - 2 - HB2 GLN 105 - HG3 GLU 38 lone 2 89 - 2 - Peak 2727 from cnoeabs.peaks (2.24, 2.24, 37.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 38 + HG3 GLU 38 OK 100 100 - 100 HG2 GLU 38 + HG2 GLU 38 OK 100 100 - 100 Reference assignment not found: HG2 GLU 38 - HG3 GLU 38 Peak 2728 from cnoeabs.peaks (2.24, 2.24, 37.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 38 + HG3 GLU 38 OK 100 100 - 100 HG2 GLU 38 + HG2 GLU 38 OK 100 100 - 100 Peak 2729 from cnoeabs.peaks (8.09, 3.60, 47.07 ppm; 3.76 A): 1 out of 7 assignments used, quality = 1.00: * H GLY 39 + HA2 GLY 39 OK 100 100 - 100 - 2.9=100 HD22 ASN 79 - HA2 GLY 39 OK 27 97 - 28 - 2732/1.8=5, 158/3.6=3...(10) H SER 78 - HA2 GLY 39 OK 18 76 - 24 - 1657=5, 158/3.6=4...(9) H GLN 105 - HA2 GLY 39 OK 11 99 - 11 - 4.7/6016=3, 158/3.6=3 H THR 33 - HA2 GLY 39 lone 7 100 - 7 - 158/3.6=2, 2732/1.8=1 H LEU 24 - HA2 GLY 39 lone 5 99 - 5 - 158/3.6=1 H LEU 55 - HA2 GLY 39 lone 5 71 - 7 - 158/3.6=1 Peak 2730 from cnoeabs.peaks (3.60, 3.60, 47.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 39 + HA2 GLY 39 OK 100 100 - 100 Peak 2731 from cnoeabs.peaks (3.81, 3.60, 47.07 ppm; 3.26 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 39 + HA2 GLY 39 OK 100 100 - 100 - 1.8=100 HA2 GLY 88 - HA2 GLY 39 lone 8 100 - 8 - 2733=2, 1.8/2733=1, 934/2.9=1 HA3 GLY 88 - HA2 GLY 39 lone 8 99 - 8 - 2733=2, 1.8/2733=1, 934/2.9=1 HB2 SER 29 - HA2 GLY 39 lone 4 100 - 4 - 160/3.6=1 HB3 SER 29 - HA2 GLY 39 lone 4 99 - 4 - 160/3.6=1 HB2 SER 74 - HA2 GLY 39 lone 3 68 - 5 - HB3 SER 74 - HA2 GLY 39 lone 3 65 - 5 - HA THR 116 - HA2 GLY 39 lone 2 76 - 3 - HB2 SER 90 - HA2 GLY 39 lone 2 98 - 2 - HA LYS 119 - HA2 GLY 39 lone 2 68 - 3 - HA2 GLY 61 - HA2 GLY 39 lone 1 93 - 1 - Peak 2732 from cnoeabs.peaks (8.09, 3.81, 47.07 ppm; 3.81 A): 1 out of 21 assignments used, quality = 1.00: * H GLY 39 + HA3 GLY 39 OK 100 100 - 100 - 2.9=100 HD22 ASN 79 - HA3 GLY 39 OK 24 97 - 25 - 2729/1.8=6, 934=4...(9) H SER 78 - HA3 GLY 39 OK 11 76 - 14 - 1657/1.8=5, 158/3.6=4, ~4032=1 H GLN 105 - HA3 GLY 39 lone 8 99 - 8 - 158/3.6=3, 2729/1.8=2 H THR 33 - HA3 GLY 39 lone 6 100 - 6 - 158/3.6=2, 2729/1.8=2 H GLY 39 - HA2 GLY 88 poor 6 59 - 11 - 934=2, 2.9/2731=2...(4) H GLY 39 - HA3 GLY 88 poor 6 57 - 11 - 934=2, 2.9/2731=2...(4) H LEU 24 - HA3 GLY 39 lone 5 99 - 5 - 158/3.6=1, 2729/1.8=1, ~2194=1 H LEU 55 - HA3 GLY 39 lone 4 71 - 6 - 158/3.6=2, 2729/1.8=1 H SER 78 - HA2 GLY 88 lone 2 38 - 5 - H SER 78 - HA3 GLY 88 lone 2 36 - 5 - HD22 ASN 79 - HA2 GLY 88 lone 1 53 - 3 - HD22 ASN 79 - HA3 GLY 88 lone 1 52 - 3 - H LEU 24 - HA3 GLY 88 lone 1 54 - 2 - H LEU 24 - HA2 GLY 88 lone 1 56 - 1 - H LEU 55 - HA2 GLY 88 lone 1 35 - 2 - H LEU 55 - HA3 GLY 88 lone 1 33 - 2 - H THR 33 - HA3 GLY 88 lone 1 56 - 1 - H GLN 105 - HA2 GLY 88 lone 1 56 - 1 - H GLN 105 - HA3 GLY 88 lone 1 54 - 1 - H THR 33 - HA2 GLY 88 lone 1 58 - 1 - Peak 2733 from cnoeabs.peaks (3.60, 3.81, 47.07 ppm; 3.39 A): 1 out of 18 assignments used, quality = 1.00: * HA2 GLY 39 + HA3 GLY 39 OK 100 100 - 100 - 1.8=100 HD2 PRO 70 - HA3 GLY 39 OK 25 99 - 26 - 933/2.9=3, ~3801=3...(12) HA GLU 75 - HA3 GLY 39 poor 9 85 - 10 - 6093/2.9=3, 159/3.6=2...(5) HA LEU 111 - HA3 GLY 39 lone 7 100 - 7 - 159/3.6=2 HA2 GLY 39 - HA2 GLY 88 poor 6 59 - 11 - 2731=3, 2731/1.8=2, 2.9/934=1 HA2 GLY 39 - HA3 GLY 88 poor 6 57 - 11 - 2731=3, 2731/1.8=2, 2.9/934=1 HA VAL 115 - HA3 GLY 39 lone 6 95 - 6 - HA LEU 111 - HA2 GLY 88 lone 2 58 - 4 - 6219/3.6=2 HA LEU 111 - HA3 GLY 88 lone 2 57 - 4 - 6219/3.6=2 HA2 GLY 48 - HA3 GLY 39 lone 2 78 - 3 - HA VAL 115 - HA2 GLY 88 lone 2 51 - 3 - HA VAL 115 - HA3 GLY 88 lone 2 50 - 3 - HA GLU 75 - HA2 GLY 88 lone 1 44 - 2 - HA GLU 75 - HA3 GLY 88 lone 1 42 - 2 - HD2 PRO 70 - HA2 GLY 88 lone 1 57 - 2 - HD2 PRO 70 - HA3 GLY 88 lone 1 55 - 2 - HA2 GLY 48 - HA2 GLY 88 lone 0 39 - 1 - HA2 GLY 48 - HA3 GLY 88 lone 0 38 - 1 - Peak 2734 from cnoeabs.peaks (3.81, 3.81, 47.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA3 GLY 39 + HA3 GLY 39 OK 100 100 - 100 HA2 GLY 88 + HA2 GLY 88 OK 58 58 - 100 HA3 GLY 88 + HA3 GLY 88 OK 55 55 - 100 Peak 2735 from cnoeabs.peaks (8.49, 4.34, 60.39 ppm; 3.58 A): 1 out of 8 assignments used, quality = 1.00: * H PHE 40 + HA PHE 40 OK 100 100 - 100 - 3.0=100 H LEU 84 - HA PHE 40 OK 24 99 - 25 - 1689/3.6=6, 410/3.7=5...(7) H TYR 102 - HA PHE 40 OK 19 97 - 19 - 4.5/2740=3, 4.6/1737=3...(9) H GLU 28 - HA PHE 40 OK 15 97 - 16 - 161/3.6=3, 2749/3.0=2...(7) H LEU 77 - HA PHE 40 OK 12 81 - 15 - 4.5/6017=3, 363=2...(7) H SER 13 - HA PHE 40 lone 8 96 - 9 - 18/3.0=2, 4.6/2737=1...(4) H LYS 31 - HA PHE 40 lone 4 99 - 4 - H GLY 2 - HA PHE 40 lone 2 100 - 2 - Peak 2736 from cnoeabs.peaks (4.34, 4.34, 60.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 40 + HA PHE 40 OK 100 100 - 100 Peak 2737 from cnoeabs.peaks (2.90, 4.34, 60.39 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 40 + HA PHE 40 OK 100 100 - 100 - 3.0=100 HB2 ASP 100 + HA PHE 40 OK 53 100 - 53 - 2751/3.0=9, 937/3.0=8...(17) HB3 ASN 12 - HA PHE 40 OK 15 97 - 16 - 937/3.0=2, 2751/3.0=2...(7) HB2 ASN 106 - HA PHE 40 OK 11 99 - 11 - 937/3.0=2, 2751/3.0=1...(5) HE2 LYS 32 - HA PHE 40 lone 5 65 - 7 - 4566/3.7=1 HE3 LYS 32 - HA PHE 40 lone 4 63 - 7 - 4566/3.7=1 Peak 2738 from cnoeabs.peaks (3.35, 4.34, 60.39 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 40 + HA PHE 40 OK 100 100 - 100 - 3.0=100 HD3 PRO 60 - HA PHE 40 OK 21 96 - 21 - 4567/3.7=4, 164/3.6=4...(9) HD3 ARG 85 - HA PHE 40 OK 14 89 - 15 - 938/3.0=3, 164/3.6=3...(5) HA LEU 21 - HA PHE 40 lone 3 63 - 5 - Peak 2740 from cnoeabs.peaks (7.22, 4.34, 60.39 ppm; 4.64 A): 4 out of 6 assignments used, quality = 0.89: * QE PHE 40 + HA PHE 40 OK 78 100 - 78 - 5.6=56, 2.2/2741=30...(6) QD TYR 102 + HA PHE 40 OK 35 100 - 35 - 2775/3.7=6, 4737/3.0=5...(10) QE PHE 96 + HA PHE 40 OK 13 73 - 18 - 2775/3.7=4, 2754/3.0=3...(5) H LYS 65 + HA PHE 40 OK 11 99 - 11 - 2775/3.7=2, 2754/3.0=2 QD TYR 67 - HA PHE 40 lone 7 81 - 9 - 2775/3.7=1, 2754/3.0=1 H VAL 26 - HA PHE 40 lone 3 63 - 4 - Peak 2741 from cnoeabs.peaks (7.12, 4.34, 60.39 ppm; 3.51 A): 1 out of 4 assignments used, quality = 0.93: * QD PHE 40 + HA PHE 40 OK 93 100 - 93 - 3.7=84, 941/3.0=14...(13) QD PHE 83 - HA PHE 40 OK 27 99 - 27 - 941/3.0=6, 2755/3.0=5...(9) HE ARG 53 - HA PHE 40 OK 19 92 - 21 - 167/3.6=5, 2755/3.0=4...(6) HE ARG 92 - HA PHE 40 lone 6 92 - 6 - 167/3.6=1, 941/3.0=1, 2755/3.0=1 Peak 2742 from cnoeabs.peaks (8.49, 2.90, 39.72 ppm; 3.77 A): 2 out of 16 assignments used, quality = 0.97: * H PHE 40 + HB2 PHE 40 OK 95 100 - 95 - 4.0=86, 938/1.8=31...(8) H PHE 40 + HB2 ASP 100 OK 45 99 - 46 - 937=12, 3.0/2737=8...(11) H LEU 84 - HB2 PHE 40 OK 30 99 - 31 - 410/2.5=8, 2749/1.8=6...(8) H TYR 102 - HB2 ASP 100 OK 25 96 - 26 - 499/4.3=11, 1732/3.8=10 H TYR 102 - HB2 PHE 40 OK 18 97 - 18 - 4.6/497=3, 2749/1.8=3...(6) H GLU 28 - HB2 PHE 40 OK 18 97 - 18 - 2749/1.8=3, 4673/2.5=3...(8) H SER 13 - HB2 PHE 40 OK 13 96 - 13 - 18=3, 2749/1.8=2...(7) H SER 13 - HB2 ASP 100 OK 12 94 - 13 - 18=3, 3.6/1871=3...(5) H LEU 77 - HB2 PHE 40 poor 9 81 - 12 - 4673/2.5=2, 2735/3.0=2...(4) H LEU 84 - HB2 ASP 100 lone 9 98 - 9 - 1504/4.3=2, ~8416=1 H LEU 77 - HB2 ASP 100 lone 6 78 - 8 - 365/1.8=2, 363/3.0=2, 4.7/4639=1 H GLU 28 - HB2 ASP 100 lone 6 96 - 6 - 1504/4.3=2 H LYS 31 - HB2 PHE 40 lone 5 99 - 5 - H LYS 31 - HB2 ASP 100 lone 4 97 - 4 - 1504/4.3=2 H GLY 2 - HB2 PHE 40 lone 3 100 - 3 - H GLY 2 - HB2 ASP 100 lone 2 99 - 2 - Peak 2743 from cnoeabs.peaks (4.34, 2.90, 39.72 ppm; 3.67 A): 4 out of 10 assignments used, quality = 1.00: * HA PHE 40 + HB2 PHE 40 OK 100 100 - 100 - 3.0=100 HA ASP 100 + HB2 ASP 100 OK 92 92 - 100 - 3.0=100 HA ASP 100 + HB2 PHE 40 OK 53 95 - 56 - 4634=11, 2750/1.8=10...(15) HA PHE 40 + HB2 ASP 100 OK 51 99 - 51 - 2737=12, 3.0/2751=8...(15) HB THR 17 - HB2 PHE 40 OK 20 97 - 20 - 2750/1.8=3, ~6019=3...(8) HA MET 11 - HB2 ASP 100 OK 16 61 - 26 - 2.9/4636=4, ~4640=3...(13) HA CYS 76 - HB2 ASP 100 OK 13 83 - 16 - 3981/1.8=3, ~3985=2...(7) HA CYS 76 - HB2 PHE 40 OK 10 85 - 12 - 4565/2.5=2, 2750/1.8=2...(5) HB THR 17 - HB2 ASP 100 lone 5 96 - 5 - 4.6/8151=1 HA MET 11 - HB2 PHE 40 lone 4 63 - 7 - 3.6/794=1, 4.9/1871=1 Peak 2744 from cnoeabs.peaks (2.90, 2.90, 39.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 40 + HB2 PHE 40 OK 100 100 - 100 HB2 ASP 100 + HB2 ASP 100 OK 99 99 - 100 Peak 2745 from cnoeabs.peaks (3.35, 2.90, 39.72 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: * HB3 PHE 40 + HB2 PHE 40 OK 100 100 - 100 - 1.8=100 HB3 PHE 40 + HB2 ASP 100 OK 54 99 - 54 - 2751=14, 2.5/4566=7...(16) HD3 PRO 60 - HB2 PHE 40 OK 26 96 - 27 - 4567/2.5=5, 2738/3.0=4...(11) HD3 ARG 85 - HB2 PHE 40 OK 16 89 - 18 - 4567/2.5=3, 2738/3.0=3...(9) HD3 ARG 85 - HB2 ASP 100 lone 5 86 - 6 - 7503/4.3=3 HD3 PRO 60 - HB2 ASP 100 lone 4 94 - 4 - HA LEU 21 - HB2 PHE 40 lone 3 63 - 5 - HA LEU 21 - HB2 ASP 100 lone 3 61 - 5 - 2098/3.8=1 Peak 2747 from cnoeabs.peaks (7.22, 2.90, 39.72 ppm; 4.61 A): 1 out of 12 assignments used, quality = 1.00: * QE PHE 40 + HB2 PHE 40 OK 100 100 - 100 - 4.4=100 QE PHE 40 - HB2 ASP 100 OK 44 99 - 45 - 2.2/4566=12, 4.4/2751=9...(9) QD TYR 102 - HB2 PHE 40 OK 29 100 - 29 - 2740/3.0=8, 2775/2.5=7...(6) QE PHE 96 - HB2 ASP 100 OK 26 71 - 37 - ~4819=12, ~7687=11...(5) QE PHE 96 - HB2 PHE 40 OK 20 73 - 27 - 2775/2.5=5, ~4570=4...(8) H LYS 65 - HB2 PHE 40 OK 11 99 - 11 - 2775/2.5=3, 2754/1.8=2 QD TYR 102 - HB2 ASP 100 lone 10 99 - 10 - 4.5/2742=2, ~4750=1 QD TYR 67 - HB2 PHE 40 lone 7 81 - 8 - 2775/2.5=2, 2740/3.0=2 QD TYR 67 - HB2 ASP 100 lone 3 78 - 4 - H LYS 65 - HB2 ASP 100 lone 3 98 - 3 - H VAL 26 - HB2 PHE 40 lone 3 63 - 4 - 6497/1.8=1 H VAL 26 - HB2 ASP 100 lone 1 61 - 2 - Peak 2748 from cnoeabs.peaks (7.12, 2.90, 39.72 ppm; 3.88 A): 2 out of 8 assignments used, quality = 1.00: * QD PHE 40 + HB2 PHE 40 OK 100 100 - 100 - 2.5=100 QD PHE 40 + HB2 ASP 100 OK 55 99 - 56 - 4566=12, 2.5/2751=11...(14) QD PHE 83 - HB2 PHE 40 OK 38 99 - 38 - 2755/1.8=8, 2741/3.0=6...(12) HE ARG 53 - HB2 PHE 40 OK 29 92 - 31 - 2755/1.8=6, 167/4.7=4...(10) HE ARG 92 - HB2 PHE 40 lone 7 92 - 8 - 2755/1.8=2, 2741/3.0=1...(4) QD PHE 83 - HB2 ASP 100 lone 7 97 - 7 - HE ARG 53 - HB2 ASP 100 lone 5 90 - 5 - HE ARG 92 - HB2 ASP 100 lone 2 90 - 2 - Peak 2749 from cnoeabs.peaks (8.49, 3.35, 39.72 ppm; 3.67 A): 2 out of 8 assignments used, quality = 0.93: * H PHE 40 + HB3 PHE 40 OK 91 100 - 91 - 4.0=79, 937/1.8=24...(8) H LEU 84 + HB3 PHE 40 OK 29 99 - 29 - 410/2.5=7, 1689/4.7=5...(7) H GLU 28 - HB3 PHE 40 OK 15 97 - 15 - 4673/2.5=3, 161/4.7=2...(5) H TYR 102 - HB3 PHE 40 OK 14 97 - 14 - 2735/3.0=3, 1283/4.4=3...(4) H SER 13 - HB3 PHE 40 lone 8 96 - 9 - 18/1.8=3, 4.6/2751=1...(4) H LEU 77 - HB3 PHE 40 poor 8 81 - 10 - 4673/2.5=2, 2735/3.0=2...(5) H LYS 31 - HB3 PHE 40 lone 4 99 - 4 - H GLY 2 - HB3 PHE 40 lone 2 100 - 2 - Peak 2750 from cnoeabs.peaks (4.34, 3.35, 39.72 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * HA PHE 40 + HB3 PHE 40 OK 100 100 - 100 - 3.0=100 HA ASP 100 + HB3 PHE 40 OK 47 95 - 50 - 3.0/2751=9, 4634/1.8=9...(17) HB THR 17 - HB3 PHE 40 OK 17 97 - 18 - ~6019=3, 4565/2.5=3...(7) HA CYS 76 - HB3 PHE 40 poor 10 85 - 12 - 4565/2.5=2, 936/4.0=2...(6) HA MET 11 - HB3 PHE 40 lone 3 63 - 4 - Peak 2751 from cnoeabs.peaks (2.90, 3.35, 39.72 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 40 + HB3 PHE 40 OK 100 100 - 100 - 1.8=100 HB2 ASP 100 + HB3 PHE 40 OK 54 100 - 54 - 2745=13, 4566/2.5=7...(16) HB3 ASN 12 - HB3 PHE 40 OK 13 97 - 14 - 4566/2.5=2, 2737/3.0=2...(6) HB2 ASN 106 - HB3 PHE 40 lone 9 99 - 9 - 2737/3.0=1, 4566/2.5=1, ~4816=1 HE2 LYS 32 - HB3 PHE 40 lone 5 65 - 8 - 4566/2.5=2 HE3 LYS 32 - HB3 PHE 40 lone 5 63 - 8 - 4566/2.5=1 Peak 2752 from cnoeabs.peaks (3.35, 3.35, 39.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 40 + HB3 PHE 40 OK 100 100 - 100 Peak 2754 from cnoeabs.peaks (7.22, 3.35, 39.72 ppm; 4.92 A): 1 out of 6 assignments used, quality = 1.00: * QE PHE 40 + HB3 PHE 40 OK 100 100 - 100 - 4.4=100 QD TYR 102 - HB3 PHE 40 OK 31 100 - 31 - 2740/3.0=8, 2775/2.5=8...(7) QE PHE 96 - HB3 PHE 40 OK 20 73 - 28 - 2775/2.5=6, ~4570=5...(7) H LYS 65 - HB3 PHE 40 OK 12 99 - 12 - 2775/2.5=3, 2740/3.0=3 QD TYR 67 - HB3 PHE 40 lone 7 81 - 9 - 2740/3.0=2, 2775/2.5=2 H VAL 26 - HB3 PHE 40 lone 6 63 - 9 - 4.0/6508=3, 6497=1 Peak 2755 from cnoeabs.peaks (7.12, 3.35, 39.72 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 40 + HB3 PHE 40 OK 100 100 - 100 - 2.5=100 QD PHE 83 - HB3 PHE 40 OK 36 99 - 37 - 2741/3.0=6, 2748/1.8=5...(11) HE ARG 53 - HB3 PHE 40 OK 27 92 - 30 - 2748/1.8=4, 167/4.7=4...(11) HE ARG 92 - HB3 PHE 40 lone 7 92 - 7 - 2741/3.0=1, 2748/1.8=1 Peak 2767 from cnoeabs.peaks (7.29, 7.22, 131.17 ppm; 3.33 A): 1 out of 8 assignments used, quality = 0.96: * HZ PHE 40 + QE PHE 40 OK 96 96 - 100 - 2.2=100 QD PHE 96 - QE PHE 96 OK 31 31 - 100 - 2.2=100 QD PHE 96 - QE PHE 40 OK 19 93 - 20 - 4570/2.2=5, 4600=2...(7) HZ PHE 40 - QE PHE 96 poor 5 33 - 14 - 4575=3, 3.8/2775=2...(5) HD1 TRP 20 - QE PHE 40 lone 4 99 - 4 - HE ARG 57 - QE PHE 96 poor 4 24 - 16 - ~4819=3, ~7047=2...(7) HE ARG 57 - QE PHE 40 lone 1 77 - 1 - HD1 TRP 20 - QE PHE 96 lone 1 36 - 2 - Peak 2768 from cnoeabs.peaks (7.22, 7.22, 131.17 ppm; diagonal): 1 out of 2 assignments used, quality = 0.99: * QE PHE 40 + QE PHE 40 OK 99 99 - 100 QE PHE 96 - QE PHE 96 OK 21 21 - 100 Peak 2769 from cnoeabs.peaks (7.12, 7.22, 131.17 ppm; 3.40 A): 1 out of 8 assignments used, quality = 0.99: * QD PHE 40 + QE PHE 40 OK 99 99 - 100 - 2.2=100 QD PHE 83 - QE PHE 40 OK 21 96 - 21 - ~4210=4, ~4203=3...(7) HE ARG 53 - QE PHE 40 OK 13 89 - 14 - ~6958=3, 2755/4.4=3...(6) QD PHE 40 - QE PHE 96 poor 9 35 - 24 - 2775=5, 4570/2.2=5...(11) HE ARG 92 - QE PHE 40 lone 4 89 - 4 - QD PHE 83 - QE PHE 96 lone 2 34 - 6 - ~4597=2, ~4591=2 HE ARG 53 - QE PHE 96 lone 0 29 - 1 - HE ARG 92 - QE PHE 96 lone 0 29 - 1 - Peak 2771 from cnoeabs.peaks (4.34, 7.12, 131.33 ppm; 5.14 A): 2 out of 5 assignments used, quality = 0.99: * HA PHE 40 + QD PHE 40 OK 98 98 - 100 - 3.7=100 HA ASP 100 + QD PHE 40 OK 59 90 - 66 - 2750/2.5=13, 3.0/4566=11...(16) HB THR 17 - QD PHE 40 OK 27 93 - 29 - 8393/6351=5, 162/4.5=5...(8) HA CYS 76 - QD PHE 40 OK 18 80 - 23 - 3.6/4673=4, ~7333=3...(9) HA MET 11 - QD PHE 40 lone 4 58 - 7 - ~4636=1 Peak 2772 from cnoeabs.peaks (2.90, 7.12, 131.33 ppm; 5.00 A): 2 out of 6 assignments used, quality = 0.99: * HB2 PHE 40 + QD PHE 40 OK 98 98 - 100 - 2.5=100 HB2 ASP 100 + QD PHE 40 OK 69 98 - 71 - 2751/2.5=14, 2748=11...(16) HB3 ASN 12 - QD PHE 40 OK 24 92 - 25 - 2751/2.5=3, 2737/3.7=3...(12) HB2 ASN 106 - QD PHE 40 OK 15 96 - 15 - 2737/3.7=2, 2751/2.5=2...(7) HE2 LYS 32 - QD PHE 40 OK 14 61 - 23 - 3.8/4668=5, 4.7/4666=3...(7) HE3 LYS 32 - QD PHE 40 OK 13 58 - 23 - 3.8/4668=5, 4.7/4666=3...(8) Peak 2773 from cnoeabs.peaks (3.35, 7.12, 131.33 ppm; 5.14 A): 1 out of 4 assignments used, quality = 0.98: * HB3 PHE 40 + QD PHE 40 OK 98 98 - 100 - 2.5=100 HD3 PRO 60 - QD PHE 40 OK 40 91 - 44 - 2738/3.7=6, 164/4.5=6...(14) HD3 ARG 85 - QD PHE 40 OK 26 84 - 30 - 164/4.5=5, 2738/3.7=4...(10) HA LEU 21 - QD PHE 40 poor 9 58 - 16 - 5993/6351=2, 6639/4671=1...(6) Peak 2775 from cnoeabs.peaks (7.22, 7.12, 131.33 ppm; 3.63 A): 1 out of 6 assignments used, quality = 0.98: * QE PHE 40 + QD PHE 40 OK 98 98 - 100 - 2.2=100 QD TYR 102 - QD PHE 40 OK 26 97 - 27 - 2740/3.7=4, 2754/2.5=3...(9) QE PHE 96 - QD PHE 40 OK 19 69 - 28 - 2.2/4570=5, 4571=3...(13) H LYS 65 - QD PHE 40 OK 11 96 - 11 - 2754/2.5=1, 2740/3.7=1 QD TYR 67 - QD PHE 40 lone 6 76 - 8 - H VAL 26 - QD PHE 40 lone 3 58 - 4 - Peak 2776 from cnoeabs.peaks (7.12, 7.12, 131.33 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD PHE 40 + QD PHE 40 OK 97 97 - 100 Peak 2777 from cnoeabs.peaks (8.54, 3.64, 57.53 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 41 + HA LEU 41 OK 100 100 - 100 - 3.0=100 H GLU 38 - HA LEU 41 OK 36 81 - 44 - ~1586=5, 2791/3.0=5...(13) H ARG 53 - HA LEU 41 OK 32 100 - 32 - 2798/4.3=5, 2791/3.0=4...(10) H GLU 94 - HA LEU 41 OK 21 100 - 20 - 1239/3.0=4, 2791/3.0=3...(6) H GLY 86 - HA LEU 41 OK 18 87 - 21 - 2791/3.0=3, 168/3.6=2...(7) Peak 2778 from cnoeabs.peaks (3.64, 3.64, 57.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + HA LEU 41 OK 100 100 - 100 Peak 2779 from cnoeabs.peaks (1.98, 3.64, 57.53 ppm; 3.76 A): 3 out of 14 assignments used, quality = 1.00: * HB2 LEU 41 + HA LEU 41 OK 100 100 - 100 - 3.0=100 HB2 LYS 46 + HA LEU 41 OK 50 92 - 54 - 2930=9, 1.8/2940=6...(24) HG LEU 45 + HA LEU 41 OK 48 97 - 50 - 2.1/8260=10, 8269/4.1=7...(16) HB ILE 124 - HA LEU 41 OK 39 100 - 39 - 5347/4.1=5, 3.2/2782=4...(18) HB2 LEU 55 - HA LEU 41 OK 20 87 - 23 - 2785=2, 944/3.0=2...(9) HG2 PRO 60 - HA LEU 41 OK 20 97 - 20 - ~164=3, 944/3.0=2...(9) HB2 GLU 94 - HA LEU 41 OK 13 92 - 14 - 4.0/2777=2, 4518/3.0=2 HB3 PRO 68 - HA LEU 41 OK 13 100 - 13 - 7228/4.1=2, 2793/3.0=1 HG2 PRO 68 - HA LEU 41 OK 11 100 - 11 - 2793/3.0=1 HG LEU 114 - HA LEU 41 lone 9 100 - 9 - HB3 GLN 103 - HA LEU 41 lone 8 100 - 8 - 170/3.6=1 HB3 GLU 94 - HA LEU 41 poor 7 60 - 12 - 4.0/2777=2, ~4518=1...(4) HB2 ARG 71 - HA LEU 41 lone 7 98 - 7 - 170/3.6=2 HB2 MET 11 - HA LEU 41 lone 7 100 - 6 - 2930=1 Peak 2780 from cnoeabs.peaks (1.66, 3.64, 57.53 ppm; 3.95 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 41 + HA LEU 41 OK 100 100 - 100 - 3.0=100 HB3 GLN 42 + HA LEU 41 OK 55 83 - 67 - 2835/3.6=13, 4.6/1595=7...(28) HG LEU 27 + HA LEU 41 OK 53 100 - 53 - 2.1/2813=6, 8485/4.3=6...(21) HG3 GLN 42 - HA LEU 41 OK 32 60 - 53 - 954/3.6=10, 3.0/2782=5...(25) HG3 ARG 85 - HA LEU 41 OK 20 97 - 21 - 945/3.0=3, ~5772=2...(9) HB ILE 34 - HA LEU 41 OK 15 98 - 16 - 945/3.0=2, 2787/3.0=2...(6) HG LEU 51 - HA LEU 41 OK 14 78 - 18 - 2.1/8260=2, ~6750=2...(9) HB3 LYS 32 - HA LEU 41 OK 12 89 - 14 - 3.0/6748=2, 945/3.0=1...(4) Peak 2781 from cnoeabs.peaks (1.83, 3.64, 57.53 ppm; 4.18 A): 2 out of 12 assignments used, quality = 0.99: * HG LEU 41 + HA LEU 41 OK 98 100 - 98 - 4.3=94, 2.1/2806=24...(19) HG3 ARG 53 + HA LEU 41 OK 46 100 - 46 - 946/3.0=8, 1.8/8446=6...(15) HG13 ILE 63 - HA LEU 41 OK 29 96 - 30 - 2795/3.0=4, 946/3.0=3...(11) HG12 ILE 22 - HA LEU 41 OK 18 92 - 19 - 2795/3.0=3, 2809/4.1=2...(8) HG2 GLU 73 - HA LEU 41 OK 13 99 - 13 - 2795/3.0=2, 946/3.0=1...(6) HG3 GLU 73 - HA LEU 41 OK 13 99 - 13 - 2795/3.0=2, 946/3.0=1...(6) HB2 PRO 60 - HA LEU 41 OK 13 60 - 21 - ~164=3, 2.3/2779=2...(11) HB2 GLU 69 - HA LEU 41 OK 12 100 - 12 - 4.8/6024=3, 946/3.0=1...(5) HB3 ARG 57 - HA LEU 41 lone 8 83 - 9 - 2795/3.0=1, 946/3.0=1 HG2 GLU 75 - HA LEU 41 lone 7 85 - 8 - 172/3.6=1 HB3 GLN 105 - HA LEU 41 lone 5 93 - 5 - 946/3.0=1 HB3 ARG 92 - HA LEU 41 lone 4 68 - 6 - 3153/3.0=1 Peak 2782 from cnoeabs.peaks (0.89, 3.64, 57.53 ppm; 3.39 A): 5 out of 9 assignments used, quality = 0.95: * QD2 LEU 41 + HA LEU 41 OK 84 100 - 84 - 4.1=58, 2.1/2813=12...(18) QD1 ILE 124 + HA LEU 41 OK 29 100 - 29 - 5371/3.0=5, 2796/3.0=4...(12) HB2 GLN 42 + HA LEU 41 OK 29 63 - 46 - 2827/3.6=9, 1.8/2780=5...(19) QG1 VAL 49 + HA LEU 41 OK 24 99 - 25 - 8407/3.0=5, 6903/4.3=3...(8) HG13 ILE 80 + HA LEU 41 OK 14 83 - 17 - 2.1/4098=3, 3.2/4077=2...(9) QD2 LEU 126 - HA LEU 41 lone 8 89 - 9 - 2796/3.0=1 QD2 LEU 59 - HA LEU 41 lone 7 99 - 7 - 2796/3.0=1 QD1 LEU 126 - HA LEU 41 lone 7 85 - 8 - QD1 LEU 117 - HA LEU 41 lone 4 83 - 5 - Peak 2783 from cnoeabs.peaks (0.93, 3.64, 57.53 ppm; 3.41 A): 3 out of 12 assignments used, quality = 0.95: * QD1 LEU 41 + HA LEU 41 OK 84 100 - 84 - 4.1=59, 2.1/2806=18...(14) HB2 GLN 42 + HA LEU 41 OK 46 92 - 51 - 2827/3.6=13, 2832/3.0=6...(19) QD2 LEU 27 + HA LEU 41 OK 45 98 - 46 - 2301/3.0=6, 2.1/2780=5...(20) QD1 LEU 27 - HA LEU 41 OK 41 99 - 42 - 2813=7, 2.1/2780=5...(17) QG2 VAL 49 - HA LEU 41 OK 23 96 - 24 - 2.1/2782=4, ~8407=3...(12) QD1 ILE 63 - HA LEU 41 OK 21 98 - 21 - 7126/3.0=3, 8309/3.0=3...(10) QG2 VAL 115 - HA LEU 41 OK 21 99 - 21 - 8168/3.0=3, 7978/8391=2...(6) QG2 ILE 124 - HA LEU 41 OK 18 68 - 26 - 3.2/2782=4, 2.1/2779=3...(13) QD1 LEU 55 - HA LEU 41 OK 16 100 - 16 - ~8498=2, 948/3.0=1...(5) QG2 ILE 22 - HA LEU 41 OK 13 99 - 14 - 2158/4.3=2, 3.2/2781=1...(4) QD1 LEU 126 - HA LEU 41 lone 5 73 - 6 - 2.1/2782=1 QD1 LEU 117 - HA LEU 41 lone 3 76 - 4 - Peak 2784 from cnoeabs.peaks (8.54, 1.98, 41.64 ppm; 3.93 A): 1 out of 10 assignments used, quality = 0.97: * H LEU 41 + HB2 LEU 41 OK 97 100 - 97 - 4.1=90, 945/1.8=16...(13) H GLU 38 - HB2 LEU 41 OK 37 81 - 46 - 3.0/6005=11, ~6007=6...(11) H ARG 53 - HB2 LEU 41 OK 33 100 - 33 - 2798/3.0=6, 2791/1.8=5...(9) H GLU 94 - HB2 LEU 41 OK 27 100 - 27 - 1239=4, 2791/1.8=4...(9) H ARG 53 - HB2 LEU 55 OK 19 64 - 29 - 1622/4.0=8, 3.6/6059=4...(7) H GLY 86 - HB2 LEU 41 OK 18 87 - 21 - 2791/1.8=4, 2805/3.1=3...(8) H LEU 41 - HB2 LEU 55 OK 15 64 - 23 - 1629/4.0=4, 944=3...(10) H GLY 86 - HB2 LEU 55 OK 15 50 - 30 - 7508/3.1=7, 7507/3.1=4...(9) H GLU 94 - HB2 LEU 55 OK 11 64 - 17 - 1239=3, 464/3.1=2...(5) H GLU 38 - HB2 LEU 55 poor 6 45 - 14 - 3.0/6005=3, 151/3.0=2...(4) Peak 2785 from cnoeabs.peaks (3.64, 1.98, 41.64 ppm; 4.22 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.0=100 HA LYS 46 + HB2 LEU 41 OK 62 99 - 63 - 2792/1.8=10, 2806/3.1=8...(25) HA ILE 80 - HB2 LEU 41 OK 36 99 - 36 - 2792/1.8=6, 2806/3.1=6...(13) HA VAL 115 - HB2 LEU 41 OK 21 68 - 30 - 3.2/8168=4, 2792/1.8=4...(10) HA LEU 41 - HB2 LEU 55 OK 18 64 - 28 - 2779=3, 3.0/944=3...(11) HA VAL 115 - HB2 LEU 55 OK 15 37 - 41 - 3.2/8168=6, 3.0/584=3...(23) HA LYS 46 - HB2 LEU 55 OK 12 63 - 19 - 6861/3.0=2, 2921=2...(7) HA ILE 80 - HB2 LEU 55 lone 5 62 - 8 - ~7010=2 Peak 2786 from cnoeabs.peaks (1.98, 1.98, 41.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 41 + HB2 LEU 41 OK 100 100 - 100 HB2 LEU 55 + HB2 LEU 55 OK 50 50 - 100 Peak 2787 from cnoeabs.peaks (1.66, 1.98, 41.64 ppm; 3.47 A): 3 out of 16 assignments used, quality = 1.00: * HB3 LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 1.8=100 HG LEU 27 + HB2 LEU 41 OK 54 100 - 55 - 8485/3.0=6, 2808/3.1=5...(26) HB3 GLN 42 + HB2 LEU 41 OK 52 83 - 63 - 2835/4.2=9, 2840/1.8=7...(30) HG3 GLN 42 - HB2 LEU 41 OK 31 60 - 52 - 954/4.2=6, ~2832=4...(29) HB ILE 34 - HB2 LEU 41 OK 15 98 - 15 - 2808/3.1=2, 2801/3.0=1...(6) HB3 LEU 41 - HB2 LEU 55 OK 15 64 - 23 - 2793=3, 3.0/2800=1...(9) HG3 ARG 85 - HB2 LEU 41 OK 14 97 - 15 - 945/4.1=2, 2780/3.0=2...(6) HG LEU 51 - HB2 LEU 41 OK 14 78 - 17 - ~6750=2, 2.1/8261=2...(7) HB3 LYS 32 - HB2 LEU 41 OK 11 89 - 12 - 3.0/6746=1, ~6749=1, 2808/3.1=1 HG LEU 27 - HB2 LEU 55 OK 11 64 - 17 - 8619/3.1=2, ~8292=1...(6) HB3 GLN 42 - HB2 LEU 55 lone 2 47 - 5 - HB3 LYS 32 - HB2 LEU 55 lone 2 51 - 3 - HG3 ARG 85 - HB2 LEU 55 lone 2 59 - 3 - HG LEU 51 - HB2 LEU 55 lone 1 43 - 3 - HG3 GLN 42 - HB2 LEU 55 lone 1 32 - 4 - HB ILE 34 - HB2 LEU 55 lone 1 61 - 2 - Peak 2788 from cnoeabs.peaks (1.83, 1.98, 41.64 ppm; 3.87 A): 1 out of 24 assignments used, quality = 1.00: * HG LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.0=100 HG3 ARG 53 - HB2 LEU 41 OK 36 100 - 37 - 946/4.1=5, 2795/1.8=5...(14) HG13 ILE 63 - HB2 LEU 41 OK 31 96 - 32 - 2795/1.8=4, 3532/3.1=4...(14) HG12 ILE 22 - HB2 LEU 41 OK 23 92 - 25 - 2795/1.8=3, 2809/3.1=3...(13) HG12 ILE 22 - HB2 LEU 55 OK 21 54 - 39 - 2166/3.1=5, 2164/3.1=3...(23) HG13 ILE 63 - HB2 LEU 55 OK 19 58 - 33 - 7132/4.2=8, ~8310=6...(11) HG3 ARG 53 - HB2 LEU 55 OK 18 63 - 29 - 3155/1.8=2, ~6971=2...(18) HB2 PRO 60 - HB2 LEU 41 OK 16 60 - 27 - 3.0/3441=3, 1.8/3462=2...(14) HG LEU 41 - HB2 LEU 55 OK 16 64 - 25 - 2800=3, 2.1/2807=2...(9) HG2 GLU 73 - HB2 LEU 41 OK 14 99 - 14 - 2795/1.8=2, ~2795=1...(4) HG3 GLU 73 - HB2 LEU 41 OK 14 99 - 14 - 2795/1.8=2, ~2795=1...(4) HB2 GLU 69 - HB2 LEU 41 OK 10 100 - 10 - 2795/1.8=1, 2809/3.1=1...(4) HB3 ARG 57 - HB2 LEU 41 OK 10 83 - 13 - 2795/1.8=1, 2809/3.1=1 HG2 GLU 75 - HB2 LEU 41 lone 8 85 - 9 - 172/4.2=1, 2795/1.8=1 HB3 GLN 105 - HB2 LEU 41 lone 7 93 - 7 - 4.0/7781=2 HB2 PRO 60 - HB2 LEU 55 poor 6 32 - 18 - 1.8/3462=2, 3.0/3434=2...(7) HB3 ARG 92 - HB2 LEU 55 poor 5 37 - 14 - 4.2/7001=2, 4432/3.0=1 HB3 ARG 92 - HB2 LEU 41 lone 4 68 - 5 - HB3 ARG 57 - HB2 LEU 55 lone 3 47 - 6 - 3307/4.2=1 HG2 GLU 73 - HB2 LEU 55 lone 2 63 - 3 - HG3 GLU 73 - HB2 LEU 55 lone 2 62 - 3 - HB2 GLU 69 - HB2 LEU 55 lone 2 64 - 3 - 3.6/322=1 HG2 GLU 75 - HB2 LEU 55 lone 2 48 - 3 - HB3 GLN 105 - HB2 LEU 55 lone 1 55 - 2 - Peak 2789 from cnoeabs.peaks (0.89, 1.98, 41.64 ppm; 3.69 A): 2 out of 18 assignments used, quality = 1.00: * QD2 LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.1=100 QD1 ILE 124 + HB2 LEU 41 OK 56 100 - 57 - 5371=9, 2796/1.8=6...(25) HB2 GLN 42 - HB2 LEU 41 OK 38 63 - 61 - 2827/4.2=9, 1.8/2787=6...(29) QG1 VAL 49 - HB2 LEU 41 OK 33 99 - 34 - 6903/3.0=5, 8407/4.1=5...(12) HG13 ILE 80 - HB2 LEU 41 OK 17 83 - 21 - 4.0/2785=3, 2796/1.8=2...(7) QD2 LEU 59 - HB2 LEU 55 OK 17 62 - 27 - 3429/3.1=2, ~8414=2...(14) QD2 LEU 41 - HB2 LEU 55 OK 15 64 - 24 - 2807=2, 2.1/2800=2...(8) QD2 LEU 126 - HB2 LEU 41 OK 15 89 - 16 - 2796/1.8=2, 4.7/8128=1...(6) QG1 VAL 49 - HB2 LEU 55 OK 14 62 - 23 - 8492=4, 8406/4.0=2...(7) QD2 LEU 59 - HB2 LEU 41 OK 13 99 - 13 - 2796/1.8=2, 2803/3.0=1 QD1 LEU 126 - HB2 LEU 41 OK 13 85 - 15 - 2796/1.8=1, 4.7/8128=1...(6) QD1 ILE 124 - HB2 LEU 55 poor 9 64 - 14 - 5371=2, 2.1/5364=1...(5) QD1 LEU 117 - HB2 LEU 55 poor 8 47 - 18 - ~7009=4, ~8297=2...(6) QD1 LEU 117 - HB2 LEU 41 lone 6 83 - 8 - HG13 ILE 80 - HB2 LEU 55 lone 4 47 - 9 - ~7412=2, ~7010=2 QD2 LEU 126 - HB2 LEU 55 lone 4 51 - 8 - 4.7/8128=2 QD1 LEU 126 - HB2 LEU 55 lone 4 48 - 8 - 4.7/8128=2 HB2 GLN 42 - HB2 LEU 55 lone 2 33 - 5 - 4.0/5562=1 Peak 2790 from cnoeabs.peaks (0.93, 1.98, 41.64 ppm; 3.65 A): 5 out of 24 assignments used, quality = 1.00: * QD1 LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.1=100 QD1 LEU 55 + HB2 LEU 55 OK 64 64 - 100 - 3.1=100 QD2 LEU 27 + HB2 LEU 41 OK 63 98 - 64 - 2301/1.8=8, 6524/3.0=7...(32) QD1 LEU 27 + HB2 LEU 41 OK 62 99 - 62 - 2.1/2787=6, 2797/1.8=5...(31) HB2 GLN 42 + HB2 LEU 41 OK 58 92 - 64 - 2827/4.2=12, 2832/1.8=9...(29) QG2 ILE 124 - HB2 LEU 41 OK 34 68 - 51 - 3.2/5371=5, 5350=5...(27) QD1 ILE 63 - HB2 LEU 41 OK 32 98 - 32 - 8309=4, 7126/4.1=3...(15) QG2 VAL 49 - HB2 LEU 41 OK 27 96 - 28 - 2.1/2789=3, ~6903=3...(14) QG2 VAL 115 - HB2 LEU 41 OK 27 99 - 27 - 8168=4, 2783/3.0=2...(11) QG2 ILE 22 - HB2 LEU 55 OK 25 61 - 41 - 2159/3.1=6, 3238/1.8=3...(19) QG2 VAL 115 - HB2 LEU 55 OK 25 61 - 41 - 8168=7, 7974/3.0=5...(19) QG2 ILE 22 - HB2 LEU 41 OK 23 99 - 23 - 2158/3.0=3, 2797/1.8=2...(7) QD1 ILE 63 - HB2 LEU 55 OK 23 61 - 38 - 8310/1.8=8, 8309=7...(11) QD1 LEU 55 - HB2 LEU 41 OK 23 100 - 23 - 3249=2, 2797/1.8=2...(10) QD1 LEU 41 - HB2 LEU 55 OK 17 64 - 26 - 2814=2, 2.1/2800=2...(11) QD1 LEU 27 - HB2 LEU 55 OK 17 63 - 27 - 3224/3.0=2, 3238/1.8=2...(14) QD2 LEU 27 - HB2 LEU 55 OK 16 61 - 27 - 3224/3.0=2, 3238/1.8=2...(14) QG2 VAL 49 - HB2 LEU 55 OK 12 58 - 21 - 2.1/8492=3, 3250/1.8=2...(9) QD1 LEU 117 - HB2 LEU 55 poor 10 42 - 23 - ~7009=4, ~8297=2...(11) QD1 LEU 126 - HB2 LEU 41 poor 9 73 - 12 - 4.7/8128=1, 2.1/2789=1...(4) QG2 ILE 124 - HB2 LEU 55 poor 6 37 - 16 - 5350=1, 3.2/5371=1, 3.2/5364=1 QD1 LEU 117 - HB2 LEU 41 lone 4 76 - 6 - HB2 GLN 42 - HB2 LEU 55 lone 4 54 - 7 - 4.0/5562=1 QD1 LEU 126 - HB2 LEU 55 lone 4 40 - 9 - 4.7/8128=2 Peak 2791 from cnoeabs.peaks (8.54, 1.66, 41.64 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 4.1=100 H GLU 38 - HB3 LEU 41 OK 38 81 - 47 - 3.0/6007=11, ~6005=7...(13) H ARG 53 - HB3 LEU 41 OK 33 100 - 34 - 2798/3.0=6, 2805/3.1=6...(8) H GLY 86 - HB3 LEU 41 OK 23 87 - 27 - 423=3, 2805/3.1=3...(12) H GLU 94 - HB3 LEU 41 OK 23 100 - 23 - 1239/1.8=5, 2805/3.1=3...(7) Peak 2792 from cnoeabs.peaks (3.64, 1.66, 41.64 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.0=100 HA LYS 46 + HB3 LEU 41 OK 53 99 - 54 - 2785/1.8=9, 2806/3.1=8...(19) HA ILE 80 - HB3 LEU 41 OK 33 99 - 34 - 2806/3.1=6, 2785/1.8=5...(13) HA VAL 115 - HB3 LEU 41 OK 19 68 - 28 - 2785/1.8=3, 2806/3.1=3...(10) Peak 2793 from cnoeabs.peaks (1.98, 1.66, 41.64 ppm; 3.50 A): 3 out of 14 assignments used, quality = 1.00: * HB2 LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 1.8=100 HG LEU 45 + HB3 LEU 41 OK 53 97 - 55 - 8269/3.1=8, 2.1/6750=6...(21) HB ILE 124 + HB3 LEU 41 OK 47 100 - 47 - 5347/3.1=6, 3.2/2796=4...(24) HB2 LYS 46 - HB3 LEU 41 OK 40 92 - 43 - 3.0/2792=6, 2930/3.0=5...(21) HG2 PRO 60 - HB3 LEU 41 OK 22 97 - 22 - ~7089=2, ~7091=2...(13) HB2 LEU 55 - HB3 LEU 41 OK 20 87 - 23 - 2787=2, 2800/3.0=1...(9) HB3 PRO 68 - HB3 LEU 41 OK 15 100 - 15 - 7228/3.1=2, ~7226=1, 2800/3.0=1 HG2 PRO 68 - HB3 LEU 41 OK 13 100 - 13 - ~7228=1, ~7226=1...(4) HB2 GLU 94 - HB3 LEU 41 OK 11 92 - 12 - 4.0/2791=2, 4518/4.1=1 HG LEU 114 - HB3 LEU 41 lone 7 100 - 7 - HB2 ARG 71 - HB3 LEU 41 lone 6 98 - 6 - 170/4.2=2 HB3 GLU 94 - HB3 LEU 41 poor 6 60 - 10 - 4.0/2791=2 HB3 GLN 103 - HB3 LEU 41 lone 6 100 - 6 - HB2 MET 11 - HB3 LEU 41 lone 5 100 - 5 - Peak 2794 from cnoeabs.peaks (1.66, 1.66, 41.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + HB3 LEU 41 OK 100 100 - 100 Peak 2795 from cnoeabs.peaks (1.83, 1.66, 41.64 ppm; 3.92 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.0=100 HG3 ARG 53 - HB3 LEU 41 OK 37 100 - 37 - 946/4.1=5, 2781/3.0=5...(14) HG13 ILE 63 - HB3 LEU 41 OK 32 96 - 33 - 3532/3.1=4, 2809/3.1=3...(15) HG12 ILE 22 - HB3 LEU 41 OK 24 92 - 26 - 2809/3.1=3, 2788/1.8=2...(15) HB2 PRO 60 - HB3 LEU 41 OK 15 60 - 25 - 2.3/2793=2, ~7089=2...(12) HG2 GLU 73 - HB3 LEU 41 OK 14 99 - 14 - 2788/1.8=1, 4.1/6008=1...(5) HG3 GLU 73 - HB3 LEU 41 OK 14 99 - 14 - 2788/1.8=1, 4.1/6008=1...(5) HB3 ARG 57 - HB3 LEU 41 poor 10 83 - 12 - 2809/3.1=1, 2788/1.8=1 HB2 GLU 69 - HB3 LEU 41 lone 9 100 - 9 - 2809/3.1=1, 2781/3.0=1 HG2 GLU 75 - HB3 LEU 41 lone 7 85 - 9 - 172/4.2=1 HB3 GLN 105 - HB3 LEU 41 lone 5 93 - 5 - HB3 ARG 92 - HB3 LEU 41 lone 3 68 - 5 - Peak 2796 from cnoeabs.peaks (0.89, 1.66, 41.64 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.1=100 QD1 ILE 124 + HB3 LEU 41 OK 48 100 - 49 - 5371/1.8=8, 2803/3.0=5...(21) HB2 GLN 42 - HB3 LEU 41 OK 37 63 - 59 - 2827/4.2=8, 1.8/2840=5...(28) QG1 VAL 49 - HB3 LEU 41 OK 32 99 - 32 - 6903/3.0=5, 8407/4.1=5...(9) HG13 ILE 80 - HB3 LEU 41 OK 16 83 - 20 - 4.0/2792=3, 2782/3.0=2...(7) QD2 LEU 126 - HB3 LEU 41 OK 13 89 - 14 - 2789/1.8=1, 2803/3.0=1...(5) QD2 LEU 59 - HB3 LEU 41 OK 12 99 - 12 - 2789/1.8=1, 2803/3.0=1 QD1 LEU 126 - HB3 LEU 41 OK 11 85 - 12 - 5416/3.1=1, 2789/1.8=1...(4) QD1 LEU 117 - HB3 LEU 41 lone 6 83 - 7 - Peak 2797 from cnoeabs.peaks (0.93, 1.66, 41.64 ppm; 3.75 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.1=100 QD2 LEU 27 + HB3 LEU 41 OK 70 98 - 71 - 2301=10, 6524/3.0=8...(37) QD1 LEU 27 + HB3 LEU 41 OK 68 99 - 68 - 2.1/2301=8, 2294=5...(34) HB2 GLN 42 + HB3 LEU 41 OK 59 92 - 64 - 2827/4.2=13, 2832=6...(28) QG2 ILE 124 - HB3 LEU 41 OK 33 68 - 49 - 2.1/2793=5, 3.2/2796=5...(25) QD1 ILE 63 - HB3 LEU 41 OK 31 98 - 32 - 8309/1.8=4, 2.1/2795=4...(14) QG2 VAL 49 - HB3 LEU 41 OK 29 96 - 30 - 2.1/2796=4, ~6903=3...(15) QG2 ILE 22 - HB3 LEU 41 OK 25 99 - 25 - 2158/3.0=3, 3.2/2795=2...(7) QG2 VAL 115 - HB3 LEU 41 OK 25 99 - 25 - 8168/1.8=4, 3.2/2792=2...(9) QD1 LEU 55 - HB3 LEU 41 OK 22 100 - 22 - 3.1/2793=2, 3249/1.8=2...(8) QD1 LEU 126 - HB3 LEU 41 poor 8 73 - 11 - 2.1/2796=2, 5416/3.1=1 QD1 LEU 117 - HB3 LEU 41 lone 5 76 - 6 - Peak 2798 from cnoeabs.peaks (8.54, 1.83, 26.60 ppm; 4.15 A): 3 out of 5 assignments used, quality = 0.96: * H LEU 41 + HG LEU 41 OK 88 100 - 88 - 5.2=51, 2805/2.1=18...(13) H ARG 53 + HG LEU 41 OK 45 100 - 45 - 1014=7, 2805/2.1=7...(17) H GLU 38 + HG LEU 41 OK 35 81 - 43 - 2805/2.1=7, 2812/2.1=5...(12) H GLU 94 - HG LEU 41 OK 22 100 - 21 - 2805/2.1=4, 1239/3.0=4...(5) H GLY 86 - HG LEU 41 OK 19 87 - 21 - 2805/2.1=3, 2812/2.1=3...(7) Peak 2799 from cnoeabs.peaks (3.64, 1.83, 26.60 ppm; 4.43 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 41 + HG LEU 41 OK 100 100 - 100 - 4.3=100 HA LYS 46 + HG LEU 41 OK 48 99 - 49 - 2806/2.1=11, 2813/2.1=9...(16) HA ILE 80 - HG LEU 41 OK 32 99 - 33 - 2806/2.1=8, 2792/3.0=6...(9) HA VAL 115 - HG LEU 41 OK 18 68 - 27 - 2806/2.1=4, 2813/2.1=3...(12) Peak 2800 from cnoeabs.peaks (1.98, 1.83, 26.60 ppm; 3.25 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 41 + HG LEU 41 OK 100 100 - 100 - 3.0=100 HG LEU 45 + HG LEU 41 OK 45 97 - 47 - 8269/2.1=8, 2.1/6752=8...(18) HB ILE 124 - HG LEU 41 OK 41 100 - 41 - 5347/2.1=7, 5344/2.1=4...(22) HB2 LYS 46 - HG LEU 41 OK 29 92 - 32 - 3.0/2799=4, 2807/2.1=3...(15) HG2 PRO 60 - HG LEU 41 OK 18 97 - 18 - ~7091=2, ~7089=2...(5) HB2 LEU 55 - HG LEU 41 OK 15 87 - 17 - 2807/2.1=2, 2814/2.1=1...(4) HB3 PRO 68 - HG LEU 41 OK 13 100 - 13 - 7228/2.1=2, ~7226=2...(5) HG2 PRO 68 - HG LEU 41 OK 11 100 - 11 - ~7228=1, ~7226=1, 2807/2.1=1 HB2 GLU 94 - HG LEU 41 lone 8 92 - 9 - 4.0/2798=1 HG LEU 114 - HG LEU 41 lone 5 100 - 5 - HB3 GLU 94 - HG LEU 41 lone 4 60 - 7 - 4.0/2798=1 HB2 ARG 71 - HG LEU 41 lone 4 98 - 4 - HB3 GLN 103 - HG LEU 41 lone 4 100 - 4 - HB2 MET 11 - HG LEU 41 lone 4 100 - 4 - Peak 2801 from cnoeabs.peaks (1.66, 1.83, 26.60 ppm; 4.03 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 41 + HG LEU 41 OK 100 100 - 100 - 3.0=100 HG LEU 27 + HG LEU 41 OK 70 100 - 70 - 8485=11, 2.1/6524=11...(29) HB3 GLN 42 + HG LEU 41 OK 55 83 - 66 - 4.0/172=7, 2808/2.1=7...(32) HG3 GLN 42 - HG LEU 41 OK 33 60 - 54 - 5.2/172=6, 3.5/6764=5...(29) HB ILE 34 - HG LEU 41 OK 18 98 - 19 - 2808/2.1=2, ~8251=2...(8) HG LEU 51 - HG LEU 41 OK 16 78 - 21 - 2.1/6752=3, ~6750=2...(7) HG3 ARG 85 - HG LEU 41 OK 16 97 - 17 - 2808/2.1=2, 5773/5.2=2...(9) HB3 LYS 32 - HG LEU 41 OK 14 89 - 15 - 3.0/6751=2, 2808/2.1=2...(5) Peak 2802 from cnoeabs.peaks (1.83, 1.83, 26.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + HG LEU 41 OK 100 100 - 100 Peak 2803 from cnoeabs.peaks (0.89, 1.83, 26.60 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 41 + HG LEU 41 OK 100 100 - 100 - 2.1=100 QD1 ILE 124 - HG LEU 41 OK 43 100 - 43 - 5371/3.0=5, 5372/2.1=4...(21) QG1 VAL 49 - HG LEU 41 OK 32 99 - 32 - 6903=7, 3041/2.1=4...(12) HB2 GLN 42 - HG LEU 41 OK 30 63 - 47 - 4.0/172=5, 1.8/2801=5...(24) HG13 ILE 80 - HG LEU 41 OK 12 83 - 14 - 4.0/2799=2, 2796/3.0=1...(6) QD2 LEU 126 - HG LEU 41 OK 12 89 - 13 - 2817/2.1=1, 5422/2.1=1 QD2 LEU 59 - HG LEU 41 OK 10 99 - 10 - 2796/3.0=1, 2817/2.1=1 QD1 LEU 126 - HG LEU 41 poor 10 85 - 11 - 5416/2.1=2, 2817/2.1=1 QD1 LEU 117 - HG LEU 41 lone 5 83 - 6 - Peak 2804 from cnoeabs.peaks (0.93, 1.83, 26.60 ppm; 3.45 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 41 + HG LEU 41 OK 100 100 - 100 - 2.1=100 QD2 LEU 27 + HG LEU 41 OK 60 98 - 61 - 6524=10, 2.1/8485=6...(31) QD1 LEU 27 + HG LEU 41 OK 59 99 - 59 - 2.1/6524=8, 2.1/8485=6...(29) HB2 GLN 42 + HG LEU 41 OK 46 92 - 50 - 2832/3.0=6, 4.0/172=5...(24) QD1 ILE 63 - HG LEU 41 OK 31 98 - 32 - 3538=4, 8309/3.0=3...(16) QG2 ILE 124 - HG LEU 41 OK 29 68 - 43 - 2.1/2800=5, 3.2/2803=4...(24) QG2 ILE 22 - HG LEU 41 OK 27 99 - 27 - 2158=4, 2.1/2151=2...(10) QG2 VAL 49 - HG LEU 41 OK 23 96 - 24 - 2.1/6903=5, 3045/2.1=2...(13) QG2 VAL 115 - HG LEU 41 OK 19 99 - 19 - 8168/3.0=3, 2811/2.1=2...(9) QD1 LEU 55 - HG LEU 41 OK 17 100 - 17 - 3.1/2800=1, 2811/2.1=1...(4) QD1 LEU 126 - HG LEU 41 poor 8 73 - 10 - 2.1/2803=2, 5416/2.1=1 QD1 LEU 117 - HG LEU 41 lone 4 76 - 5 - Peak 2805 from cnoeabs.peaks (8.54, 0.89, 24.43 ppm; 3.81 A): 2 out of 5 assignments used, quality = 0.94: * H LEU 41 + QD2 LEU 41 OK 91 100 - 91 - 4.3=68, 3.0/2806=18...(13) H ARG 53 + QD2 LEU 41 OK 37 100 - 37 - 2798/2.1=7, 6961=5...(12) H GLU 38 - QD2 LEU 41 OK 34 81 - 42 - 2798/2.1=5, 2812/2.1=5...(14) H GLU 94 - QD2 LEU 41 OK 20 100 - 20 - 1239/3.1=3, 2798/2.1=3...(6) H GLY 86 - QD2 LEU 41 OK 17 87 - 20 - 2812/2.1=3, 2798/2.1=3...(8) Peak 2806 from cnoeabs.peaks (3.64, 0.89, 24.43 ppm; 3.30 A): 4 out of 4 assignments used, quality = 0.92: * HA LEU 41 + QD2 LEU 41 OK 81 100 - 81 - 4.1=53, 2813/2.1=12...(17) HA LYS 46 + QD2 LEU 41 OK 34 99 - 35 - 2813/2.1=6, 2792/3.1=5...(10) HA ILE 80 + QD2 LEU 41 OK 25 99 - 25 - 4067=4, 2813/2.1=3...(10) HA VAL 115 + QD2 LEU 41 OK 12 68 - 17 - 2813/2.1=2, 2799/2.1=2...(6) Peak 2807 from cnoeabs.peaks (1.98, 0.89, 24.43 ppm; 3.27 A): 3 out of 14 assignments used, quality = 1.00: * HB2 LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 3.1=100 HG LEU 45 + QD2 LEU 41 OK 54 97 - 56 - 2.1/6754=15, 8269=8...(20) HB ILE 124 + QD2 LEU 41 OK 50 100 - 51 - 5347=10, 3.0/5368=5...(25) HB2 LYS 46 - QD2 LEU 41 OK 33 92 - 37 - 3.0/2806=6, 2800/2.1=3...(15) HG2 PRO 60 - QD2 LEU 41 OK 20 97 - 21 - 2.3/7091=3, 2.3/7089=3...(7) HB2 LEU 55 - QD2 LEU 41 OK 17 87 - 19 - 2800/2.1=2, 2789=1...(5) HB3 PRO 68 - QD2 LEU 41 OK 15 100 - 15 - 1.8/7226=2, 7228=2...(4) HG2 PRO 68 - QD2 LEU 41 OK 14 100 - 14 - 2.3/7226=2, 2.3/7228=2...(4) HB2 GLU 94 - QD2 LEU 41 lone 9 92 - 9 - 4.0/2805=2 HG LEU 114 - QD2 LEU 41 lone 6 100 - 6 - HB2 ARG 71 - QD2 LEU 41 lone 5 98 - 5 - 170/4.9=1 HB3 GLN 103 - QD2 LEU 41 lone 5 100 - 5 - HB3 GLU 94 - QD2 LEU 41 lone 5 60 - 8 - 4.0/2805=2 HB2 MET 11 - QD2 LEU 41 lone 5 100 - 4 - Peak 2808 from cnoeabs.peaks (1.66, 0.89, 24.43 ppm; 3.24 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 3.1=100 HG LEU 27 + QD2 LEU 41 OK 50 100 - 50 - 8485/2.1=5, 2.1/2811=5...(22) HB3 GLN 42 + QD2 LEU 41 OK 45 83 - 55 - 4.0/5565=9, 1.8/2811=4...(31) HG3 GLN 42 - QD2 LEU 41 OK 25 60 - 43 - 5.2/5565=6, 3.5/6768=4...(24) HB ILE 34 - QD2 LEU 41 OK 14 98 - 15 - 3.9/8728=3, 2801/2.1=1...(5) HG3 ARG 85 - QD2 LEU 41 OK 11 97 - 11 - 945/4.3=1, 2801/2.1=1 HG LEU 51 - QD2 LEU 41 OK 10 78 - 13 - ~6752=1, 2801/2.1=1, ~6750=1 HB3 LYS 32 - QD2 LEU 41 poor 9 89 - 10 - 3.0/8266=2 Peak 2809 from cnoeabs.peaks (1.83, 0.89, 24.43 ppm; 3.18 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 2.1=100 HG3 ARG 53 - QD2 LEU 41 OK 30 100 - 30 - 4.0/6769=5, 3.0/6968=4...(14) HG13 ILE 63 - QD2 LEU 41 OK 23 96 - 24 - 3532/2.1=3, 2795/3.1=2...(13) HG12 ILE 22 - QD2 LEU 41 OK 17 92 - 18 - 2816/2.1=2, 2795/3.1=2...(7) HB2 PRO 60 - QD2 LEU 41 OK 11 60 - 18 - 3.0/7091=3, 3.0/7089=2...(4) HG2 GLU 73 - QD2 LEU 41 lone 8 99 - 8 - HG3 GLU 73 - QD2 LEU 41 lone 8 99 - 8 - HB2 GLU 69 - QD2 LEU 41 lone 8 100 - 8 - 4.8/6753=1 HB3 ARG 57 - QD2 LEU 41 lone 7 83 - 9 - HG2 GLU 75 - QD2 LEU 41 lone 6 85 - 7 - HB3 GLN 105 - QD2 LEU 41 lone 4 93 - 4 - HB3 ARG 92 - QD2 LEU 41 lone 3 68 - 4 - Peak 2810 from cnoeabs.peaks (0.89, 0.89, 24.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + QD2 LEU 41 OK 100 100 - 100 Peak 2811 from cnoeabs.peaks (0.93, 0.89, 24.43 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * QD1 LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 2.1=100 QD2 LEU 27 - QD2 LEU 41 OK 30 98 - 31 - 6524/2.1=3, 2.1/2808=3...(10) QD1 LEU 27 - QD2 LEU 41 OK 30 99 - 30 - 2.1/2808=3, 2804/2.1=2...(12) HB2 GLN 42 - QD2 LEU 41 OK 24 92 - 27 - 4.0/5565=4, 1.8/2808=3...(11) QG2 ILE 124 - QD2 LEU 41 OK 16 68 - 23 - 2.1/5347=4, 3.2/5368=3...(8) QD1 ILE 63 - QD2 LEU 41 OK 13 98 - 13 - 2.1/2809=2, 3538/2.1=1...(4) QG2 VAL 49 - QD2 LEU 41 OK 12 96 - 13 - ~6903=1, 2.1/3035=1, 3.2/3030=1 QG2 VAL 115 - QD2 LEU 41 OK 10 99 - 10 - 8168/3.1=1 QG2 ILE 22 - QD2 LEU 41 lone 10 99 - 10 - 2158/2.1=1 QD1 LEU 55 - QD2 LEU 41 lone 7 100 - 7 - QD1 LEU 126 - QD2 LEU 41 lone 5 73 - 6 - 5416=1 QD1 LEU 117 - QD2 LEU 41 lone 3 76 - 3 - Peak 2812 from cnoeabs.peaks (8.54, 0.93, 24.55 ppm; 3.50 A): 4 out of 10 assignments used, quality = 0.94: * H LEU 41 + QD1 LEU 41 OK 83 100 - 83 - 4.3=52, 2805/2.1=14...(12) H GLU 38 + QD1 LEU 41 OK 31 81 - 38 - 2805/2.1=5, 2798/2.1=4...(14) H ARG 53 + QD1 LEU 41 OK 29 100 - 30 - 2798/2.1=6, 2805/2.1=5...(11) H LEU 41 + QD1 LEU 27 OK 27 70 - 39 - 948=5, 945/2.1=5...(15) H GLY 86 - QD1 LEU 41 OK 19 87 - 22 - 2805/2.1=3, 7507=2...(10) H GLU 94 - QD1 LEU 41 OK 18 100 - 18 - 2805/2.1=3, 1239/3.1=3...(6) H GLY 86 - QD1 LEU 27 OK 11 54 - 21 - 1698/4.0=3, 7507=2...(10) H ARG 53 - QD1 LEU 27 poor 7 70 - 10 - 3.6/6947=2 H GLU 38 - QD1 LEU 27 poor 5 49 - 11 - ~6007=2, 3.0/6708=2, ~6708=1 H GLU 94 - QD1 LEU 27 lone 5 70 - 8 - 461/3.1=1 Peak 2813 from cnoeabs.peaks (3.64, 0.93, 24.55 ppm; 3.45 A): 3 out of 8 assignments used, quality = 0.94: * HA LEU 41 + QD1 LEU 41 OK 85 100 - 85 - 4.1=61, 2806/2.1=19...(14) HA LYS 46 + QD1 LEU 41 OK 43 99 - 44 - 2806/2.1=8, 2799/2.1=5...(14) HA LEU 41 + QD1 LEU 27 OK 31 70 - 44 - 2783=6, 2780/2.1=5...(18) HA ILE 80 - QD1 LEU 41 OK 25 99 - 25 - 2806/2.1=6, 2799/2.1=4...(7) HA VAL 115 - QD1 LEU 41 OK 16 68 - 24 - 2806/2.1=3, 5102=3...(10) HA ILE 80 - QD1 LEU 27 poor 9 67 - 13 - 7422/3.1=3, 6131/4.8=1 HA LYS 46 - QD1 LEU 27 lone 7 68 - 10 - 6859/3.1=1 HA VAL 115 - QD1 LEU 27 poor 6 40 - 16 - 5102=2, 3.0/5107=1...(6) Peak 2814 from cnoeabs.peaks (1.98, 0.93, 24.55 ppm; 3.27 A): 2 out of 28 assignments used, quality = 1.00: * HB2 LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 3.1=100 HG LEU 45 + QD1 LEU 41 OK 47 97 - 49 - 8269/2.1=8, ~6754=8...(19) HB ILE 124 - QD1 LEU 41 OK 44 100 - 44 - 5347/2.1=7, 2800/2.1=4...(23) HB2 LEU 41 - QD1 LEU 27 OK 38 70 - 54 - 2787/2.1=5, 1.8/2797=4...(27) HB2 LYS 46 - QD1 LEU 41 OK 37 92 - 41 - 3.0/2813=5, 2.9/8265=3...(18) HG LEU 45 - QD1 LEU 27 OK 23 64 - 36 - ~6527=4, ~6528=4...(15) HB2 LEU 55 - QD1 LEU 41 OK 19 87 - 22 - 2800/2.1=2, 2807/2.1=2...(8) HG2 PRO 60 - QD1 LEU 41 OK 19 97 - 19 - ~7091=2, ~7089=2...(6) HB3 PRO 68 - QD1 LEU 41 OK 15 100 - 14 - 7228/2.1=2, ~7226=2...(4) HG2 PRO 68 - QD1 LEU 41 OK 13 100 - 13 - ~7228=1, ~7226=1...(4) HB2 LEU 55 - QD1 LEU 27 OK 12 54 - 23 - 3.0/3224=2, 3231=2...(9) HB2 GLU 94 - QD1 LEU 41 lone 9 92 - 9 - 4.0/2812=1 HG LEU 114 - QD1 LEU 41 lone 8 100 - 8 - 5.2/8412=1 HB3 GLN 103 - QD1 LEU 41 lone 5 100 - 5 - HB2 ARG 71 - QD1 LEU 41 lone 5 98 - 5 - 170/4.9=1 HB3 GLU 94 - QD1 LEU 41 lone 5 60 - 8 - 4.0/2812=1 HB2 MET 11 - QD1 LEU 41 lone 4 100 - 4 - HB2 LYS 46 - QD1 LEU 27 lone 4 59 - 7 - HB3 PRO 68 - QD1 LEU 27 lone 3 70 - 4 - HB ILE 124 - QD1 LEU 27 lone 3 70 - 4 - HG LEU 114 - QD1 LEU 27 lone 3 70 - 4 - HG2 PRO 68 - QD1 LEU 27 lone 2 70 - 3 - HG2 PRO 60 - QD1 LEU 27 lone 1 65 - 2 - HB2 MET 11 - QD1 LEU 27 lone 1 70 - 2 - HB2 GLU 94 - QD1 LEU 27 lone 1 59 - 2 - HB3 GLN 103 - QD1 LEU 27 lone 1 70 - 1 - HB2 ARG 71 - QD1 LEU 27 lone 1 66 - 1 - HB3 GLU 94 - QD1 LEU 27 lone 1 35 - 2 - Peak 2815 from cnoeabs.peaks (1.66, 0.93, 24.55 ppm; 2.91 A): 2 out of 16 assignments used, quality = 0.96: * HB3 LEU 41 + QD1 LEU 41 OK 86 100 - 86 - 3.1=80, 3.0/2813=7...(8) HG LEU 27 + QD1 LEU 27 OK 69 69 - 100 - 2.1=100 HB3 GLN 42 - QD1 LEU 41 OK 38 83 - 46 - 2835/4.9=4, 2837=4...(23) HG LEU 27 - QD1 LEU 41 OK 38 100 - 38 - 2288=5, 8485/2.1=4...(18) HB3 LEU 41 - QD1 LEU 27 OK 32 70 - 46 - 2301/2.1=5, 2797=3...(24) HG3 GLN 42 - QD1 LEU 41 OK 20 60 - 34 - 954/4.9=3, 3.0/2837=2...(16) HB3 GLN 42 - QD1 LEU 27 OK 19 51 - 37 - 2301/2.1=4, 2837=3...(22) HB ILE 34 - QD1 LEU 27 OK 16 66 - 25 - 2301/2.1=3, ~6560=2...(14) HG LEU 51 - QD1 LEU 27 OK 11 48 - 22 - 2301/2.1=2, ~6517=2...(9) HB ILE 34 - QD1 LEU 41 lone 10 98 - 10 - 3.9/8729=1, 2801/2.1=1 HG3 GLN 42 - QD1 LEU 27 poor 10 35 - 27 - 6801/3.1=2, 1.8/2845=2...(14) HG3 ARG 85 - QD1 LEU 41 lone 9 97 - 9 - 945/4.3=1 HG LEU 51 - QD1 LEU 41 lone 8 78 - 10 - HB3 LYS 32 - QD1 LEU 41 lone 7 89 - 7 - HG3 ARG 85 - QD1 LEU 27 lone 6 64 - 10 - 2301/2.1=1 HB3 LYS 32 - QD1 LEU 27 lone 2 56 - 4 - Peak 2816 from cnoeabs.peaks (1.83, 0.93, 24.55 ppm; 3.09 A): 1 out of 24 assignments used, quality = 1.00: * HG LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 2.1=100 HG LEU 41 - QD1 LEU 27 OK 35 70 - 50 - 6524/2.1=7, 2804=5...(26) HG12 ILE 22 - QD1 LEU 27 OK 33 59 - 57 - 6524/2.1=6, 2164=6...(25) HG13 ILE 63 - QD1 LEU 41 OK 27 96 - 28 - 3532=4, 2809/2.1=3...(14) HG3 ARG 53 - QD1 LEU 41 OK 25 100 - 25 - 2809/2.1=4, 946/4.3=3...(12) HG12 ILE 22 - QD1 LEU 41 OK 20 92 - 22 - 2164=2, 2809/2.1=2...(9) HG13 ILE 63 - QD1 LEU 27 OK 13 63 - 21 - 6524/2.1=3, 3532=3...(10) HB2 GLU 69 - QD1 LEU 41 lone 9 100 - 9 - 3.6/7240=1, 4.8/7262=1 HB2 PRO 60 - QD1 LEU 41 poor 9 60 - 15 - ~7089=1, ~7091=1...(4) HG2 GLU 73 - QD1 LEU 27 poor 9 68 - 13 - 6524/2.1=2, 8485/2.1=2...(6) HG3 GLU 73 - QD1 LEU 27 poor 9 67 - 13 - 6524/2.1=2, 8485/2.1=2...(6) HG2 GLU 73 - QD1 LEU 41 lone 8 99 - 8 - 2809/2.1=1 HG3 GLU 73 - QD1 LEU 41 lone 8 99 - 8 - 2809/2.1=1 HB3 ARG 57 - QD1 LEU 41 lone 7 83 - 8 - HG2 GLU 75 - QD1 LEU 41 lone 5 85 - 6 - HB2 GLU 69 - QD1 LEU 27 lone 5 70 - 7 - 6524/2.1=1 HG3 ARG 53 - QD1 LEU 27 lone 5 69 - 7 - 6524/2.1=1 HB3 GLN 105 - QD1 LEU 41 lone 4 93 - 4 - HB3 ARG 92 - QD1 LEU 41 lone 3 68 - 4 - HB3 ARG 57 - QD1 LEU 27 lone 2 51 - 4 - HB3 ARG 92 - QD1 LEU 27 lone 1 40 - 3 - HG2 GLU 75 - QD1 LEU 27 lone 1 53 - 2 - HB3 GLN 105 - QD1 LEU 27 lone 1 60 - 2 - HB2 PRO 60 - QD1 LEU 27 lone 1 35 - 2 - Peak 2817 from cnoeabs.peaks (0.89, 0.93, 24.55 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * QD2 LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 2.1=100 QD1 ILE 124 - QD1 LEU 41 OK 22 100 - 23 - 2803/2.1=3, 5371/3.1=2...(11) QD2 LEU 41 - QD1 LEU 27 OK 21 70 - 30 - 2808/2.1=3, 2.1/2804=2...(12) QG1 VAL 49 - QD1 LEU 41 OK 17 99 - 17 - 3041=4, 6903/2.1=2...(6) HB2 GLN 42 - QD1 LEU 41 OK 15 63 - 24 - 4.0/5566=2, 1.8/2837=2...(13) QD2 LEU 59 - QD1 LEU 27 poor 8 67 - 12 - 3428/3.1=1, ~8619=1, 3.2/8265=1 QD2 LEU 126 - QD1 LEU 41 lone 7 89 - 7 - 5422=1 HB2 GLN 42 - QD1 LEU 27 poor 7 37 - 18 - 1.8/2837=2, 2830/2.1=1...(7) QD1 LEU 126 - QD1 LEU 41 lone 6 85 - 7 - QD1 LEU 117 - QD1 LEU 27 poor 6 51 - 11 - ~6526=2, 2.1/5170=1 HG13 ILE 80 - QD1 LEU 41 lone 6 83 - 7 - QD2 LEU 59 - QD1 LEU 41 lone 5 99 - 5 - QG1 VAL 49 - QD1 LEU 27 lone 5 67 - 7 - 3041=1 QD1 LEU 117 - QD1 LEU 41 lone 3 83 - 3 - QD1 ILE 124 - QD1 LEU 27 lone 2 70 - 3 - HG13 ILE 80 - QD1 LEU 27 lone 2 51 - 4 - QD2 LEU 126 - QD1 LEU 27 lone 1 56 - 2 - QD1 LEU 126 - QD1 LEU 27 lone 1 53 - 1 - Peak 2818 from cnoeabs.peaks (0.93, 0.93, 24.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 41 + QD1 LEU 41 OK 100 100 - 100 QD1 LEU 27 + QD1 LEU 27 OK 68 68 - 100 Peak 2819 from cnoeabs.peaks (8.05, 3.21, 60.03 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 42 + HA GLN 42 OK 100 100 - 100 - 3.0=100 H SER 112 - HA GLN 42 OK 27 85 - 32 - 2827/3.0=7, 175/3.6=6...(9) H SER 78 - HA GLN 42 OK 18 85 - 21 - 2827/3.0=4, 175/3.6=4...(6) Peak 2820 from cnoeabs.peaks (3.21, 3.21, 60.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 42 + HA GLN 42 OK 100 100 - 100 Peak 2821 from cnoeabs.peaks (0.92, 3.21, 60.03 ppm; 3.56 A): 2 out of 12 assignments used, quality = 1.00: * HB2 GLN 42 + HA GLN 42 OK 100 100 - 100 - 3.0=100 QD1 LEU 41 + HA GLN 42 OK 58 92 - 63 - ~5565=8, 5566/3.0=8...(30) QD2 LEU 27 - HA GLN 42 OK 44 99 - 45 - 3.1/6787=5, 2301/3.0=4...(21) QD1 LEU 27 - HA GLN 42 OK 41 98 - 42 - 3.1/6787=5, 2.1/2822=4...(21) QD2 LEU 41 - HA GLN 42 OK 38 63 - 61 - 5565/3.0=9, 3.1/2824=7...(32) QG2 VAL 115 - HA GLN 42 OK 14 99 - 14 - 177/3.6=2, 951/3.0=2...(4) QD1 LEU 117 - HA GLN 42 OK 12 99 - 12 - 2.1/2823=1 QG2 ILE 22 - HA GLN 42 lone 8 99 - 8 - QG2 VAL 49 - HA GLN 42 lone 7 100 - 7 - ~173=1 QD1 ILE 63 - HA GLN 42 lone 6 73 - 8 - 174/3.0=1, ~172=1 QD1 LEU 55 - HA GLN 42 lone 5 87 - 6 - QD1 LEU 126 - HA GLN 42 lone 3 98 - 3 - Peak 2822 from cnoeabs.peaks (1.64, 3.21, 60.03 ppm; 3.74 A): 2 out of 15 assignments used, quality = 1.00: * HB3 GLN 42 + HA GLN 42 OK 100 100 - 100 - 3.0=100 HB3 LEU 41 + HA GLN 42 OK 54 83 - 65 - 171/3.0=8, ~5565=6...(31) HG LEU 27 - HA GLN 42 OK 42 90 - 46 - 3.0/6787=6, 2.1/2821=5...(22) HG LEU 101 - HA GLN 42 OK 34 89 - 39 - 2.1/6787=11, 4.9/6771=4...(15) HG2 PRO 30 - HA GLN 42 OK 24 76 - 31 - 1.8/2823=3, ~1593=3...(13) HG LEU 51 - HA GLN 42 OK 21 100 - 21 - 2.1/6786=4, 3.0/6936=3...(5) HG3 ARG 85 - HA GLN 42 OK 11 98 - 11 - 178/3.6=1, 952/3.0=1 HB ILE 34 - HA GLN 42 lone 10 97 - 10 - 2830/3.0=1 HB3 LYS 32 - HA GLN 42 lone 9 100 - 9 - 2830/3.0=1 HB2 LEU 59 - HA GLN 42 lone 7 96 - 7 - HG2 ARG 53 - HA GLN 42 lone 6 68 - 9 - ~172=2, 952/3.0=1 HD3 LYS 31 - HA GLN 42 lone 5 92 - 5 - HD2 LYS 31 - HA GLN 42 lone 5 92 - 5 - HD2 LYS 32 - HA GLN 42 lone 4 68 - 6 - HD3 LYS 32 - HA GLN 42 lone 4 68 - 6 - Peak 2823 from cnoeabs.peaks (1.76, 3.21, 60.03 ppm; 3.82 A): 2 out of 16 assignments used, quality = 1.00: * HG2 GLN 42 + HA GLN 42 OK 99 100 - 99 - 3.9=97, 1.8/2824=25...(18) HB2 LEU 45 + HA GLN 42 OK 53 99 - 53 - 6032=17, 4.0/6030=11...(15) HG3 ARG 71 - HA GLN 42 OK 44 100 - 44 - 3.0/3860=4, 3.0/3852=4...(21) HB3 LYS 46 - HA GLN 42 OK 43 99 - 44 - 2844=6, 2843/3.0=5...(15) HG2 ARG 71 - HA GLN 42 OK 39 90 - 44 - 3.0/3860=4, 3.0/3852=4...(21) HG3 PRO 30 - HA GLN 42 OK 33 100 - 33 - 2831/3.0=3, ~1593=3...(14) HG LEU 117 - HA GLN 42 OK 15 100 - 15 - 2831/3.0=2, 2.1/2821=1 HD2 LYS 109 - HA GLN 42 OK 14 100 - 14 - 4940/3.6=2, 6.2/5567=2...(4) HD3 LYS 109 - HA GLN 42 OK 14 99 - 14 - 4940/3.6=2, 6.2/5567=2...(4) HB2 GLU 75 - HA GLN 42 OK 13 90 - 15 - ~6093=2, 1.8/6033=2...(4) HB2 LEU 117 - HA GLN 42 OK 13 93 - 14 - 5142/3.0=2, 3.1/2821=1 HB2 ARG 53 - HA GLN 42 lone 8 87 - 10 - ~172=2, 953/3.0=1 HB VAL 66 - HA GLN 42 lone 6 96 - 7 - HB2 LYS 32 - HA GLN 42 lone 5 65 - 8 - 1.8/2822=1 HB2 LEU 91 - HA GLN 42 lone 3 71 - 4 - HB2 PRO 37 - HA GLN 42 lone 2 65 - 3 - Peak 2824 from cnoeabs.peaks (1.69, 3.21, 60.03 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.96: * HG3 GLN 42 + HA GLN 42 OK 96 100 - 96 - 3.9=85, 2840/3.0=21...(21) HB3 LEU 41 - HA GLN 42 OK 40 60 - 67 - 954/3.0=11, 180/3.6=7...(30) HB3 LEU 77 - HA GLN 42 OK 12 68 - 18 - 954/3.0=3, 4.3/2819=2...(6) Peak 2825 from cnoeabs.peaks (6.76, 3.21, 60.03 ppm; 4.28 A): 2 out of 7 assignments used, quality = 0.95: HZ PHE 107 + HA GLN 42 OK 82 97 - 84 - 2.2/6771=25, 4770=24...(19) * HE21 GLN 42 + HA GLN 42 OK 74 100 - 74 - 5.5=47, 3.5/2824=21...(8) H LEU 27 - HA GLN 42 OK 41 99 - 41 - 4.0/6787=6, 955/3.0=5...(15) QE TYR 67 - HA GLN 42 OK 21 73 - 28 - 2.2/6772=6, ~6774=4...(10) H VAL 110 - HA GLN 42 OK 15 71 - 21 - 1747/3.0=4, 4.7/5567=4...(8) HD22 ASN 99 - HA GLN 42 OK 10 100 - 10 - 955/3.0=2, 2833/3.0=1 HH2 TRP 20 - HA GLN 42 poor 7 60 - 11 - 4.3/2061=3, 6.6/2051=1 Peak 2827 from cnoeabs.peaks (8.05, 0.92, 27.10 ppm; 3.56 A): 3 out of 3 assignments used, quality = 0.95: * H GLN 42 + HB2 GLN 42 OK 91 100 - 91 - 4.0=70, 2835/1.8=21...(22) H SER 112 + HB2 GLN 42 OK 33 85 - 38 - 2835/1.8=6, 2851/3.0=5...(11) H SER 78 + HB2 GLN 42 OK 17 85 - 20 - 2835/1.8=4, 2819/3.0=3...(6) Peak 2828 from cnoeabs.peaks (3.21, 0.92, 27.10 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 42 + HB2 GLN 42 OK 100 100 - 100 - 3.0=100 HD2 ARG 71 - HB2 GLN 42 OK 38 99 - 38 - 2836/1.8=4, 2852/3.0=4...(17) HD2 ARG 81 - HB2 GLN 42 OK 31 96 - 32 - 2852/3.0=4, 2836/1.8=4...(15) HD3 ARG 71 - HB2 GLN 42 OK 22 65 - 34 - ~2836=3, 3.0/2831=3...(17) HB3 PHE 83 - HB2 GLN 42 OK 17 100 - 17 - 950/4.0=2, 2836/1.8=2...(9) HB3 TRP 20 - HB2 GLN 42 OK 12 97 - 12 - ~2031=2, 2836/1.8=1...(5) Peak 2829 from cnoeabs.peaks (0.92, 0.92, 27.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 42 + HB2 GLN 42 OK 100 100 - 100 Peak 2830 from cnoeabs.peaks (1.64, 0.92, 27.10 ppm; 2.86 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLN 42 + HB2 GLN 42 OK 100 100 - 100 - 1.8=100 HB3 LEU 41 - HB2 GLN 42 OK 33 83 - 40 - 4.2/2827=8, 2854/3.0=3...(18) HG LEU 27 - HB2 GLN 42 OK 28 90 - 31 - 2289=4, 2854/3.0=2...(18) HG LEU 101 - HB2 GLN 42 OK 24 89 - 27 - ~6787=3, ~7703=2...(14) HG2 PRO 30 - HB2 GLN 42 OK 17 76 - 23 - 1.8/2831=2, 2.3/6598=2...(7) HG LEU 51 - HB2 GLN 42 lone 10 100 - 10 - ~6786=1 HB ILE 34 - HB2 GLN 42 lone 7 97 - 8 - HB3 LYS 32 - HB2 GLN 42 lone 7 100 - 7 - HG3 ARG 85 - HB2 GLN 42 lone 6 98 - 6 - HG2 ARG 53 - HB2 GLN 42 lone 4 68 - 5 - HB2 LEU 59 - HB2 GLN 42 lone 3 96 - 3 - HD3 LYS 32 - HB2 GLN 42 lone 3 68 - 4 - HD2 LYS 32 - HB2 GLN 42 lone 3 68 - 4 - HD2 LYS 31 - HB2 GLN 42 lone 3 92 - 3 - HD3 LYS 31 - HB2 GLN 42 lone 3 92 - 3 - Peak 2831 from cnoeabs.peaks (1.76, 0.92, 27.10 ppm; 3.48 A): 1 out of 16 assignments used, quality = 1.00: * HG2 GLN 42 + HB2 GLN 42 OK 100 100 - 100 - 3.0=100 HG3 ARG 71 - HB2 GLN 42 OK 37 100 - 37 - 3.0/2828=4, 2823/3.0=3...(18) HB2 LEU 45 - HB2 GLN 42 OK 36 99 - 36 - 6032/3.0=10, ~6786=4...(15) HB3 LYS 46 - HB2 GLN 42 OK 33 99 - 34 - 2850/4.4=5, 2843/4.0=3...(12) HG3 PRO 30 - HB2 GLN 42 OK 33 100 - 33 - 1.8/2830=3, 2.3/6598=3...(14) HG2 ARG 71 - HB2 GLN 42 OK 33 90 - 36 - 3.0/2828=4, 3.0/2828=3...(18) HG LEU 117 - HB2 GLN 42 OK 19 100 - 19 - 5156=2, 3.0/5142=1...(5) HB2 LEU 117 - HB2 GLN 42 OK 17 93 - 18 - 5142=2, 1.8/5149=1...(5) HD2 LYS 109 - HB2 GLN 42 OK 13 100 - 13 - 6.2/5568=2, 4940/4.6=2 HD3 LYS 109 - HB2 GLN 42 OK 13 99 - 13 - 6.2/5568=2, 4940/4.6=2 HB2 GLU 75 - HB2 GLN 42 poor 10 90 - 11 - 3.0/6013=2 HB VAL 66 - HB2 GLN 42 lone 9 96 - 9 - 2.1/7192=1, 2.1/7178=1 HB2 ARG 53 - HB2 GLN 42 lone 9 87 - 10 - HB2 LYS 32 - HB2 GLN 42 lone 6 65 - 9 - 1.8/2830=1 HB2 LEU 91 - HB2 GLN 42 lone 2 71 - 3 - HB2 PRO 37 - HB2 GLN 42 lone 2 65 - 3 - Peak 2832 from cnoeabs.peaks (1.69, 0.92, 27.10 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 42 + HB2 GLN 42 OK 100 100 - 100 - 3.0=100 HB3 LEU 41 - HB2 GLN 42 OK 32 60 - 54 - 4.2/2827=10, 2840/1.8=7...(23) HB3 LEU 77 - HB2 GLN 42 poor 9 68 - 13 - 4.3/2827=2, 2824/3.0=2...(4) Peak 2833 from cnoeabs.peaks (6.76, 0.92, 27.10 ppm; 4.72 A): 3 out of 7 assignments used, quality = 1.00: * HE21 GLN 42 + HB2 GLN 42 OK 100 100 - 100 - 4.4=100 HZ PHE 107 + HB2 GLN 42 OK 87 97 - 90 - 2.2/6773=20, 4770/3.0=18...(19) H LEU 27 + HB2 GLN 42 OK 48 99 - 49 - 878/1.8=7, 2825/3.0=6...(14) QE TYR 67 - HB2 GLN 42 OK 31 73 - 42 - 2.2/6774=8, ~6780=4...(16) H VAL 110 - HB2 GLN 42 OK 17 71 - 24 - 4.7/5568=5, 1747/4.0=4...(8) HD22 ASN 99 - HB2 GLN 42 OK 13 100 - 13 - 955/4.0=2, 2825/3.0=1...(4) HH2 TRP 20 - HB2 GLN 42 lone 6 60 - 9 - Peak 2835 from cnoeabs.peaks (8.05, 1.64, 27.10 ppm; 3.57 A): 2 out of 9 assignments used, quality = 0.94: * H GLN 42 + HB3 GLN 42 OK 91 100 - 91 - 4.0=70, 2827/1.8=23...(20) H SER 112 + HB3 GLN 42 OK 27 85 - 32 - 2827/1.8=8, 2851/3.0=5...(8) H SER 78 - HB3 GLN 42 OK 16 85 - 19 - 2827/1.8=5, 2819/3.0=3...(5) H GLN 42 - HG LEU 101 OK 12 46 - 27 - ~6787=5, ~7703=4, 952=4...(11) H GLN 42 - HG2 PRO 30 poor 10 45 - 22 - 1593/2.3=5, 952=3...(8) H SER 112 - HG2 PRO 30 lone 1 33 - 3 - H SER 112 - HG LEU 101 lone 1 33 - 3 - H SER 78 - HG LEU 101 lone 1 33 - 2 - H SER 78 - HG2 PRO 30 lone 0 33 - 1 - Peak 2836 from cnoeabs.peaks (3.21, 1.64, 27.10 ppm; 3.77 A): 1 out of 18 assignments used, quality = 1.00: * HA GLN 42 + HB3 GLN 42 OK 100 100 - 100 - 3.0=100 HD2 ARG 71 - HB3 GLN 42 OK 40 99 - 41 - 2828/1.8=7, 2852/3.0=5...(19) HD2 ARG 81 - HB3 GLN 42 OK 32 96 - 33 - 2828/1.8=5, 2852/3.0=4...(14) HD3 ARG 71 - HB3 GLN 42 OK 24 65 - 36 - ~2828=4, 2828/1.8=4...(19) HA GLN 42 - HG LEU 101 OK 18 46 - 40 - 6787/2.1=12, 2822=5...(15) HB3 PHE 83 - HB3 GLN 42 OK 17 100 - 17 - 2828/1.8=3, 950/4.0=2...(8) HD2 ARG 71 - HG2 PRO 30 OK 17 43 - 39 - 3880/2.3=4, 3879/3.8=3...(23) HA GLN 42 - HG2 PRO 30 OK 14 45 - 32 - 2822=4, 2823/1.8=3...(13) HB3 TRP 20 - HB3 GLN 42 OK 11 97 - 11 - ~2031=2, 2828/1.8=2...(6) HB3 TRP 20 - HG2 PRO 30 OK 11 41 - 26 - 2040/2.3=7, ~2373=4...(9) HD3 ARG 71 - HG2 PRO 30 poor 9 24 - 36 - 3888/2.3=3, ~3880=3...(23) HD2 ARG 71 - HG LEU 101 poor 8 43 - 18 - ~7703=3, 7703/2.1=3...(8) HD3 ARG 71 - HG LEU 101 poor 4 24 - 17 - 7703/2.1=4, ~7703=3...(7) HB3 PHE 83 - HG LEU 101 lone 3 45 - 7 - 7703/2.1=2, ~8743=1 HD2 ARG 81 - HG LEU 101 lone 2 40 - 6 - 7703/2.1=2, ~8152=1 HB3 TRP 20 - HG LEU 101 lone 1 41 - 3 - HB3 PHE 83 - HG2 PRO 30 lone 1 45 - 3 - HD2 ARG 81 - HG2 PRO 30 lone 1 40 - 3 - Peak 2837 from cnoeabs.peaks (0.92, 1.64, 27.10 ppm; 2.95 A): 1 out of 36 assignments used, quality = 1.00: * HB2 GLN 42 + HB3 GLN 42 OK 100 100 - 100 - 1.8=100 QD1 LEU 41 - HB3 GLN 42 OK 45 92 - 49 - 4.9/2835=6, 3.1/2840=4...(24) QD2 LEU 27 - HB3 GLN 42 OK 36 99 - 37 - 2301=5, 2853/3.0=3...(19) QD1 LEU 27 - HB3 GLN 42 OK 35 98 - 36 - 2294=4, 2.1/2301=3...(20) QD2 LEU 41 - HB3 GLN 42 OK 29 63 - 46 - 4.9/2835=6, 3.1/2840=4...(25) QG2 VAL 115 - HG2 PRO 30 OK 14 43 - 32 - 7972/2.3=9, 5115/2.3=6...(13) HB2 GLN 42 - HG LEU 101 OK 14 46 - 31 - 2830=5, ~6787=3, ~7703=3...(14) HB2 GLN 42 - HG2 PRO 30 OK 11 45 - 25 - 2830=3, 2831/1.8=2...(8) QD1 LEU 117 - HB3 GLN 42 OK 10 99 - 10 - QG2 ILE 22 - HG2 PRO 30 poor 9 43 - 22 - ~6439=6, ~6596=3...(8) QG2 VAL 115 - HB3 GLN 42 lone 9 99 - 9 - ~6013=1 QD1 LEU 117 - HG2 PRO 30 poor 7 43 - 18 - 6595/2.3=2, 6598/2.3=1...(8) QD2 LEU 27 - HG LEU 101 poor 6 44 - 13 - 2300/2.1=2, 2300/2.1=2...(4) QD1 LEU 27 - HG LEU 101 poor 5 42 - 13 - 2293/2.1=2, ~8445=2...(5) QG2 ILE 22 - HB3 GLN 42 lone 5 99 - 5 - QG2 VAL 49 - HB3 GLN 42 lone 4 100 - 4 - QD1 LEU 126 - HG2 PRO 30 lone 4 42 - 9 - QD1 ILE 63 - HB3 GLN 42 lone 3 73 - 5 - QD1 LEU 55 - HB3 GLN 42 lone 3 87 - 4 - QD2 LEU 27 - HG2 PRO 30 lone 2 44 - 6 - QD1 LEU 41 - HG LEU 101 lone 2 37 - 7 - 8413/4.9=1 QD1 LEU 27 - HG2 PRO 30 lone 2 42 - 5 - QD1 LEU 41 - HG2 PRO 30 lone 2 37 - 5 - QD1 LEU 126 - HB3 GLN 42 lone 2 98 - 2 - QG2 VAL 115 - HG LEU 101 lone 1 44 - 3 - QD2 LEU 41 - HG LEU 101 lone 1 23 - 6 - 6767/4.9=1 QD2 LEU 41 - HG2 PRO 30 lone 1 22 - 5 - QD1 LEU 117 - HG LEU 101 lone 1 43 - 2 - QD1 ILE 63 - HG2 PRO 30 lone 1 27 - 4 - QD1 LEU 55 - HG2 PRO 30 lone 1 34 - 3 - QG2 ILE 22 - HG LEU 101 lone 1 44 - 2 - QD1 LEU 55 - HG LEU 101 lone 1 34 - 2 - QG2 VAL 49 - HG2 PRO 30 lone 1 45 - 1 - QG2 VAL 49 - HG LEU 101 lone 1 45 - 1 - QD1 LEU 126 - HG LEU 101 lone 1 42 - 1 - QD1 ILE 63 - HG LEU 101 lone 0 27 - 2 - Peak 2838 from cnoeabs.peaks (1.64, 1.64, 27.10 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 42 + HB3 GLN 42 OK 100 100 - 100 HG LEU 101 - HG LEU 101 OK 35 35 - 100 HG2 PRO 30 - HG2 PRO 30 OK 28 28 - 100 Peak 2839 from cnoeabs.peaks (1.76, 1.64, 27.10 ppm; 2.97 A): 1 out of 48 assignments used, quality = 0.98: * HG2 GLN 42 + HB3 GLN 42 OK 98 100 - 98 - 3.0=96, 1.8/2840=21...(9) HG3 PRO 30 - HG2 PRO 30 OK 45 45 - 100 - 1.8=100 HG3 ARG 71 - HB3 GLN 42 OK 27 100 - 27 - 2831/1.8=3, 3.0/2836=2...(8) HB2 LEU 45 - HB3 GLN 42 OK 26 99 - 26 - 6032/3.0=8, 2831/1.8=3...(9) HG2 ARG 71 - HB3 GLN 42 OK 24 90 - 27 - 2831/1.8=2, 3.0/2836=2...(10) HB3 LYS 46 - HB3 GLN 42 OK 24 99 - 24 - 2850/4.4=3, 2846=3...(9) HG3 PRO 30 - HB3 GLN 42 OK 22 100 - 22 - 2831/1.8=2, 2855/3.0=2...(7) HG3 ARG 71 - HG2 PRO 30 OK 16 45 - 36 - 2394/2.3=3, 2371/2.3=3...(17) HB2 LEU 45 - HG LEU 101 OK 15 44 - 33 - 6839/2.1=6, ~6840=4...(13) HG2 ARG 71 - HG2 PRO 30 OK 13 36 - 36 - 2394/2.3=2, 2371/2.3=2...(18) HG2 GLN 42 - HG LEU 101 OK 11 46 - 24 - 1.8/2854=3, 2846=3...(10) HG LEU 117 - HB3 GLN 42 OK 11 100 - 11 - 2831/1.8=1 HD2 LYS 109 - HB3 GLN 42 lone 10 100 - 10 - 4940/4.6=1 HB2 LEU 117 - HB3 GLN 42 poor 10 93 - 10 - 2831/1.8=1 HD3 LYS 109 - HB3 GLN 42 lone 10 99 - 10 - 4940/4.6=1 HG LEU 117 - HG2 PRO 30 poor 10 45 - 21 - 2394/2.3=2, ~7086=2...(12) HG2 GLN 42 - HG2 PRO 30 poor 9 45 - 20 - 2846=2, 1.8/2854=2...(7) HB3 LYS 46 - HG LEU 101 poor 9 43 - 21 - ~6859=3, ~7702=3...(9) HB2 LYS 32 - HG2 PRO 30 poor 8 24 - 35 - ~6609=3, ~2507=3...(20) HB2 LEU 117 - HG2 PRO 30 poor 8 38 - 21 - 2357/2.3=2, 2350/2.3=1...(8) HG3 PRO 30 - HG LEU 101 poor 8 45 - 18 - 8247/2.1=2, ~8249=2...(9) HB2 LEU 91 - HG LEU 101 poor 7 26 - 27 - ~8364=3, 4382/3.0=3...(15) HB2 GLU 75 - HB3 GLN 42 lone 7 90 - 7 - HB2 LEU 91 - HG2 PRO 30 poor 6 26 - 25 - 7584/2.3=2, ~7585=2...(14) HB2 ARG 53 - HB3 GLN 42 lone 6 87 - 7 - HB2 LEU 45 - HG2 PRO 30 poor 6 44 - 14 - 2371/2.3=1, 2888/2.3=1 HD2 LYS 109 - HG2 PRO 30 poor 5 45 - 12 - HD3 LYS 109 - HG2 PRO 30 poor 5 44 - 12 - HG3 ARG 71 - HG LEU 101 poor 5 45 - 11 - 7705/2.1=1, ~7703=1...(4) HB VAL 66 - HB3 GLN 42 lone 4 96 - 5 - HB2 ARG 53 - HG LEU 101 poor 4 34 - 12 - 7705/2.1=1, 3133=1 HB2 LYS 32 - HB3 GLN 42 lone 4 65 - 6 - HG2 ARG 71 - HG LEU 101 poor 4 36 - 11 - 7705/2.1=1, ~7703=1, ~7704=1 HB2 GLU 75 - HG2 PRO 30 lone 3 36 - 8 - 7319/3.8=1 HB2 GLU 75 - HG LEU 101 lone 3 36 - 7 - 3957/3.0=1 HB2 ARG 53 - HG2 PRO 30 lone 2 34 - 7 - HB2 LYS 32 - HG LEU 101 lone 2 24 - 10 - HB3 LYS 46 - HG2 PRO 30 lone 2 43 - 5 - HB2 LEU 91 - HB3 GLN 42 lone 1 71 - 2 - HB2 PRO 37 - HB3 GLN 42 lone 1 65 - 2 - HB2 PRO 37 - HG LEU 101 lone 1 24 - 5 - ~8253=1 HB VAL 66 - HG2 PRO 30 lone 1 40 - 3 - HG LEU 117 - HG LEU 101 lone 1 45 - 2 - HD2 LYS 109 - HG LEU 101 lone 1 45 - 2 - HB2 LEU 117 - HG LEU 101 lone 1 38 - 2 - HD3 LYS 109 - HG LEU 101 lone 1 44 - 2 - HB2 PRO 37 - HG2 PRO 30 lone 1 24 - 3 - HB VAL 66 - HG LEU 101 lone 1 40 - 1 - Peak 2840 from cnoeabs.peaks (1.69, 1.64, 27.10 ppm; 2.92 A): 1 out of 9 assignments used, quality = 0.95: * HG3 GLN 42 + HB3 GLN 42 OK 95 100 - 95 - 3.0=92, 2824/3.0=11...(10) HB3 LEU 41 - HB3 GLN 42 OK 29 60 - 48 - 4.2/2835=7, 2832/1.8=7...(20) HG3 GLN 42 - HG LEU 101 OK 12 46 - 27 - 6801/2.1=4, 2854=4...(10) HG3 GLN 42 - HG2 PRO 30 poor 9 45 - 20 - 2855/1.8=2, 2854=2...(4) HB3 LEU 77 - HB3 GLN 42 lone 7 68 - 10 - 2832/1.8=2, 2824/3.0=1...(4) HB3 LEU 41 - HG LEU 101 lone 1 21 - 7 - ~7704=1, 4.2/952=1 HB3 LEU 77 - HG LEU 101 lone 1 25 - 4 - ~8154=1, ~8153=1 HB3 LEU 41 - HG2 PRO 30 lone 1 21 - 4 - HB3 LEU 77 - HG2 PRO 30 lone 1 25 - 2 - Peak 2841 from cnoeabs.peaks (6.76, 1.64, 27.10 ppm; 4.82 A): 3 out of 21 assignments used, quality = 1.00: * HE21 GLN 42 + HB3 GLN 42 OK 100 100 - 100 - 4.4=100 HZ PHE 107 + HB3 GLN 42 OK 87 97 - 89 - 4770/3.0=19, 4769/4.0=18...(20) H LEU 27 + HB3 GLN 42 OK 53 99 - 53 - 878=7, 2833/1.8=6...(15) QE TYR 67 - HB3 GLN 42 OK 28 73 - 38 - ~6774=6, 2.2/6776=5...(12) HZ PHE 107 - HG LEU 101 OK 28 42 - 67 - 7722/2.1=13, ~4794=13...(13) HE21 GLN 42 - HG LEU 101 OK 27 46 - 60 - ~7723=31, 7722/2.1=12...(10) H VAL 110 - HB3 GLN 42 OK 16 71 - 23 - 4.7/5569=4, 1747/4.0=4...(7) HD22 ASN 99 - HB3 GLN 42 OK 13 100 - 13 - 955/4.0=2, 2833/1.8=2...(5) HE21 GLN 42 - HG2 PRO 30 poor 9 45 - 20 - 3.5/2854=3, 4.4/2830=3...(9) HZ PHE 107 - HG2 PRO 30 poor 9 42 - 22 - ~7826=4, ~4782=4...(9) H LEU 27 - HG LEU 101 poor 9 44 - 20 - 7722/2.1=9, 877/2.1=5, ~2265=2 QE TYR 67 - HG LEU 101 poor 5 27 - 19 - ~8152=6, 7722/2.1=3...(7) HH2 TRP 20 - HB3 GLN 42 lone 5 60 - 8 - H VAL 110 - HG LEU 101 poor 4 26 - 14 - 7722/2.1=7, 4.0/7734=4 QE TYR 67 - HG2 PRO 30 poor 3 27 - 11 - ~6584=2, ~6585=2...(5) HH2 TRP 20 - HG2 PRO 30 poor 2 21 - 12 - ~6591=3, ~6583=2...(5) HD22 ASN 99 - HG LEU 101 lone 2 45 - 5 - 7722/2.1=2, ~7679=1 HH2 TRP 20 - HG LEU 101 poor 2 21 - 11 - ~7721=3, 4662/2.1=2...(4) H LEU 27 - HG2 PRO 30 lone 2 43 - 4 - H VAL 110 - HG2 PRO 30 lone 2 26 - 6 - 6592/1.8=2, 552/2.3=1 HD22 ASN 99 - HG2 PRO 30 lone 1 45 - 2 - Peak 2843 from cnoeabs.peaks (8.05, 1.76, 33.51 ppm; 4.21 A): 2 out of 6 assignments used, quality = 0.94: * H GLN 42 + HG2 GLN 42 OK 91 100 - 91 - 5.2=55, 954/1.8=26...(18) H GLN 42 + HB3 LYS 46 OK 37 72 - 52 - 169/3.0=8, 953=7...(20) H SER 112 - HG2 GLN 42 OK 31 85 - 36 - 2851/1.8=9, 2827/3.0=8...(7) H SER 78 - HG2 GLN 42 OK 18 85 - 21 - 2851/1.8=5, 2827/3.0=4...(5) H SER 112 - HB3 LYS 46 poor 6 54 - 11 - H SER 78 - HB3 LYS 46 lone 3 54 - 5 - Peak 2844 from cnoeabs.peaks (3.21, 1.76, 33.51 ppm; 3.81 A): 1 out of 12 assignments used, quality = 0.99: * HA GLN 42 + HG2 GLN 42 OK 99 100 - 99 - 3.9=96, 2824/1.8=25...(18) HD2 ARG 71 - HG2 GLN 42 OK 34 99 - 35 - 2852/1.8=6, 2828/3.0=5...(13) HA GLN 42 - HB3 LYS 46 OK 31 72 - 43 - 2823=5, 3.0/2843=5...(15) HD2 ARG 81 - HG2 GLN 42 OK 29 96 - 31 - 2852/1.8=5, 1.8/8268=4...(12) HD3 ARG 71 - HG2 GLN 42 OK 20 65 - 30 - ~2852=4, 2852/1.8=4...(13) HB3 PHE 83 - HG2 GLN 42 OK 12 100 - 12 - 2828/3.0=2, 2852/1.8=2...(5) HB3 TRP 20 - HG2 GLN 42 lone 8 97 - 9 - 2828/3.0=2, 2852/1.8=1...(4) HD2 ARG 71 - HB3 LYS 46 poor 8 68 - 11 - 3880/1.8=1 HB3 TRP 20 - HB3 LYS 46 lone 5 65 - 8 - 6547/2.9=2, 6547/2.9=2, ~6549=1 HB3 PHE 83 - HB3 LYS 46 lone 4 71 - 6 - 6130/3.0=2, ~6128=1 HD3 ARG 71 - HB3 LYS 46 lone 4 40 - 10 - HD2 ARG 81 - HB3 LYS 46 lone 3 64 - 4 - Peak 2845 from cnoeabs.peaks (0.92, 1.76, 33.51 ppm; 3.59 A): 1 out of 24 assignments used, quality = 1.00: * HB2 GLN 42 + HG2 GLN 42 OK 100 100 - 100 - 3.0=100 QD1 LEU 41 - HG2 GLN 42 OK 44 92 - 48 - 4.9/2843=7, 2853/1.8=6...(23) QD2 LEU 27 - HG2 GLN 42 OK 43 99 - 44 - 2853/1.8=5, 2301/3.0=4...(19) QD1 LEU 27 - HG2 GLN 42 OK 42 98 - 43 - 2853/1.8=5, ~6801=4...(19) QD2 LEU 41 - HG2 GLN 42 OK 29 63 - 47 - 4.9/2843=7, 3.1/2848=4...(24) QD1 LEU 41 - HB3 LYS 46 OK 26 60 - 43 - 2813/3.0=5, 8265/2.9=4...(19) HB2 GLN 42 - HB3 LYS 46 OK 26 72 - 36 - 4.4/2850=5, 2831=4...(12) QG2 VAL 115 - HB3 LYS 46 OK 22 69 - 32 - 8168/1.8=5, 7977/2.9=4...(13) QD1 LEU 117 - HG2 GLN 42 OK 14 99 - 14 - 2853/1.8=2, 2.1/5169=1 QD2 LEU 41 - HB3 LYS 46 OK 14 38 - 36 - 2806/3.0=4, ~2799=3...(17) QG2 VAL 115 - HG2 GLN 42 OK 11 99 - 11 - ~6013=1, 2853/1.8=1 QD1 LEU 27 - HB3 LYS 46 lone 6 68 - 9 - QG2 ILE 22 - HG2 GLN 42 lone 6 99 - 6 - QD2 LEU 27 - HB3 LYS 46 lone 6 70 - 8 - QD1 LEU 55 - HB3 LYS 46 lone 5 56 - 10 - QG2 VAL 49 - HG2 GLN 42 lone 5 100 - 5 - QD1 LEU 117 - HB3 LYS 46 lone 5 68 - 7 - QD1 ILE 63 - HG2 GLN 42 lone 5 73 - 6 - QD1 LEU 55 - HG2 GLN 42 lone 4 87 - 4 - QG2 VAL 49 - HB3 LYS 46 lone 4 71 - 5 - 6870/4.4=2 QG2 ILE 22 - HB3 LYS 46 lone 3 69 - 5 - QD1 ILE 63 - HB3 LYS 46 lone 2 45 - 5 - QD1 LEU 126 - HG2 GLN 42 lone 2 98 - 2 - QD1 LEU 126 - HB3 LYS 46 lone 1 68 - 1 - Peak 2846 from cnoeabs.peaks (1.64, 1.76, 33.51 ppm; 3.01 A): 1 out of 30 assignments used, quality = 1.00: * HB3 GLN 42 + HG2 GLN 42 OK 100 100 - 100 - 3.0=100 HB3 LEU 41 - HG2 GLN 42 OK 28 83 - 34 - 4.2/2843=5, 2854/1.8=4...(14) HG LEU 27 - HG2 GLN 42 OK 26 90 - 29 - 2854/1.8=4, ~6801=3...(10) HG LEU 101 - HG2 GLN 42 OK 21 89 - 24 - 2854/1.8=3, ~6801=3...(10) HB3 GLN 42 - HB3 LYS 46 OK 18 72 - 25 - 4.4/2850=3, 3.0/2848=3...(9) HB3 LEU 41 - HB3 LYS 46 OK 16 52 - 32 - 2792/3.0=3, 2793/1.8=3...(17) HG2 PRO 30 - HG2 GLN 42 OK 16 76 - 21 - 2854/1.8=2, 2830/3.0=2...(7) HG LEU 101 - HB3 LYS 46 OK 13 57 - 22 - ~6859=3, 2.1/7705=3...(10) HB ILE 34 - HG2 GLN 42 lone 8 97 - 8 - 2854/1.8=1 HB3 LYS 32 - HG2 GLN 42 lone 7 100 - 7 - HG LEU 51 - HG2 GLN 42 lone 7 100 - 7 - HG3 ARG 85 - HG2 GLN 42 lone 5 98 - 5 - HG2 ARG 53 - HB3 LYS 46 poor 5 41 - 12 - 1.8/3155=1 HB2 LEU 59 - HB3 LYS 46 lone 5 64 - 7 - 3399/2.9=1, 3399/2.9=1 HG2 ARG 53 - HG2 GLN 42 lone 4 68 - 6 - HD2 LYS 32 - HG2 GLN 42 lone 3 68 - 4 - HD3 LYS 32 - HG2 GLN 42 lone 3 68 - 4 - HB2 LEU 59 - HG2 GLN 42 lone 3 96 - 3 - HD2 LYS 31 - HB3 LYS 46 lone 3 60 - 4 - HD3 LYS 31 - HB3 LYS 46 lone 3 60 - 4 - HG LEU 27 - HB3 LYS 46 lone 3 59 - 5 - HD3 LYS 31 - HG2 GLN 42 lone 2 92 - 3 - HD2 LYS 31 - HG2 GLN 42 lone 2 92 - 3 - HG2 PRO 30 - HB3 LYS 46 lone 2 47 - 5 - HB ILE 34 - HB3 LYS 46 lone 2 65 - 3 - HG3 ARG 85 - HB3 LYS 46 lone 1 68 - 2 - HG LEU 51 - HB3 LYS 46 lone 1 71 - 2 - HB3 LYS 32 - HB3 LYS 46 lone 1 71 - 1 - HD3 LYS 32 - HB3 LYS 46 lone 1 41 - 1 - HD2 LYS 32 - HB3 LYS 46 lone 1 41 - 1 - Peak 2847 from cnoeabs.peaks (1.76, 1.76, 33.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 42 + HG2 GLN 42 OK 100 100 - 100 HB3 LYS 46 + HB3 LYS 46 OK 68 68 - 100 Peak 2848 from cnoeabs.peaks (1.69, 1.76, 33.51 ppm; 2.55 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 42 + HG2 GLN 42 OK 100 100 - 100 - 1.8=100 HB3 LEU 41 - HG2 GLN 42 OK 16 60 - 27 - 4.2/2843=4, 2832/3.0=3...(9) HG3 GLN 42 - HB3 LYS 46 OK 13 72 - 19 - 2855=4, 3.5/2850=3...(6) HB3 LEU 41 - HB3 LYS 46 poor 8 36 - 21 - 2792/3.0=2, 4.2/2843=1...(7) HB3 LEU 77 - HG2 GLN 42 lone 4 68 - 6 - HB3 LEU 77 - HB3 LYS 46 lone 0 41 - 1 - Peak 2849 from cnoeabs.peaks (6.76, 1.76, 33.51 ppm; 3.85 A): 2 out of 14 assignments used, quality = 1.00: * HE21 GLN 42 + HG2 GLN 42 OK 100 100 - 100 - 3.5=100 HZ PHE 107 + HG2 GLN 42 OK 65 97 - 67 - 2.2/6777=12, 4770/3.9=11...(16) HE21 GLN 42 - HB3 LYS 46 OK 44 72 - 62 - ~8624=12, ~8625=12...(15) H LEU 27 - HG2 GLN 42 OK 31 99 - 31 - 2857/1.8=5, 878/3.0=4...(13) QE TYR 67 - HG2 GLN 42 OK 19 73 - 26 - 2.2/6778=4, ~6780=4...(12) H VAL 110 - HG2 GLN 42 OK 11 71 - 16 - 4.7/5570=2, 1747/5.2=2...(7) HH2 TRP 20 - HB3 LYS 46 poor 9 36 - 26 - ~2929=3, ~4643=3...(13) HZ PHE 107 - HB3 LYS 46 poor 9 67 - 14 - 2.2/6777=2, ~4783=1...(5) HD22 ASN 99 - HG2 GLN 42 lone 8 100 - 8 - 2857/1.8=1 H VAL 110 - HB3 LYS 46 poor 7 43 - 17 - 3.6/4886=3, 4.6/4896=3...(6) QE TYR 67 - HB3 LYS 46 poor 6 45 - 14 - 4696/4.7=2, 2.2/4687=2...(6) H LEU 27 - HB3 LYS 46 lone 4 69 - 6 - HH2 TRP 20 - HG2 GLN 42 lone 4 60 - 6 - HD22 ASN 99 - HB3 LYS 46 lone 2 71 - 3 - Peak 2850 from cnoeabs.peaks (6.62, 1.76, 33.51 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 42 + HG2 GLN 42 OK 100 100 - 100 - 3.5=100 HE22 GLN 42 + HB3 LYS 46 OK 54 72 - 75 - 8624/3.5=25, 8625/3.5=23...(16) Peak 2851 from cnoeabs.peaks (8.05, 1.69, 33.51 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.94: * H GLN 42 + HG3 GLN 42 OK 91 100 - 91 - 5.2=53, 2827/3.0=23...(19) H SER 112 + HG3 GLN 42 OK 33 85 - 39 - 2827/3.0=8, 2843/1.8=6...(12) H SER 78 - HG3 GLN 42 OK 20 85 - 23 - 2827/3.0=4, 2843/1.8=4...(6) Peak 2852 from cnoeabs.peaks (3.21, 1.69, 33.51 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 42 + HG3 GLN 42 OK 100 100 - 100 - 3.9=99, 3.0/2840=23...(21) HD2 ARG 71 - HG3 GLN 42 OK 33 99 - 34 - 2828/3.0=5, 2844/1.8=5...(14) HD2 ARG 81 - HG3 GLN 42 OK 29 96 - 30 - 2.9/6780=4, 2844/1.8=4...(11) HD3 ARG 71 - HG3 GLN 42 OK 20 65 - 30 - ~2844=3, ~2828=3...(14) HB3 PHE 83 - HG3 GLN 42 OK 12 100 - 12 - 2828/3.0=2, 2844/1.8=2...(5) HB3 TRP 20 - HG3 GLN 42 lone 8 97 - 8 - 2828/3.0=2, 736/3.5=1...(4) Peak 2853 from cnoeabs.peaks (0.92, 1.69, 33.51 ppm; 3.57 A): 2 out of 12 assignments used, quality = 1.00: * HB2 GLN 42 + HG3 GLN 42 OK 100 100 - 100 - 3.0=100 QD1 LEU 41 + HG3 GLN 42 OK 48 92 - 52 - 4.9/954=9, 3.1/2854=4...(29) QD2 LEU 27 - HG3 GLN 42 OK 43 99 - 44 - 3.1/6801=6, 2.1/2854=4...(18) QD1 LEU 27 - HG3 GLN 42 OK 41 98 - 42 - 3.1/6801=6, 2.1/2854=4...(18) QD2 LEU 41 - HG3 GLN 42 OK 32 63 - 51 - 4.9/954=9, 3.1/2854=4...(29) QD1 LEU 117 - HG3 GLN 42 OK 13 99 - 13 - 2.1/2855=2, 2845/1.8=1 QG2 VAL 115 - HG3 GLN 42 OK 11 99 - 11 - ~6013=1 QG2 ILE 22 - HG3 GLN 42 lone 6 99 - 6 - QG2 VAL 49 - HG3 GLN 42 lone 4 100 - 4 - QD1 ILE 63 - HG3 GLN 42 lone 4 73 - 6 - QD1 LEU 55 - HG3 GLN 42 lone 4 87 - 4 - QD1 LEU 126 - HG3 GLN 42 lone 2 98 - 2 - Peak 2854 from cnoeabs.peaks (1.64, 1.69, 33.51 ppm; 3.25 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLN 42 + HG3 GLN 42 OK 100 100 - 100 - 3.0=100 HB3 LEU 41 - HG3 GLN 42 OK 37 83 - 45 - 4.2/954=9, 2830/3.0=4...(23) HG LEU 27 - HG3 GLN 42 OK 33 90 - 36 - 3.0/6801=5, 2.1/2853=4...(15) HG LEU 101 - HG3 GLN 42 OK 30 89 - 34 - 2.1/6801=6, 2840=4...(12) HG2 PRO 30 - HG3 GLN 42 OK 18 76 - 24 - 2840=3, 1.8/2855=3...(8) HB ILE 34 - HG3 GLN 42 lone 9 97 - 9 - HG LEU 51 - HG3 GLN 42 lone 8 100 - 8 - 2830/3.0=1, 2822/3.9=1 HB3 LYS 32 - HG3 GLN 42 lone 8 100 - 7 - HG3 ARG 85 - HG3 GLN 42 lone 6 98 - 6 - HG2 ARG 53 - HG3 GLN 42 lone 5 68 - 7 - 3.9/6799=1 HD3 LYS 32 - HG3 GLN 42 lone 3 68 - 5 - HD2 LYS 32 - HG3 GLN 42 lone 3 68 - 5 - HB2 LEU 59 - HG3 GLN 42 lone 3 96 - 3 - HD2 LYS 31 - HG3 GLN 42 lone 3 92 - 3 - HD3 LYS 31 - HG3 GLN 42 lone 3 92 - 3 - Peak 2855 from cnoeabs.peaks (1.76, 1.69, 33.51 ppm; 2.58 A): 1 out of 16 assignments used, quality = 1.00: * HG2 GLN 42 + HG3 GLN 42 OK 100 100 - 100 - 1.8=100 HB3 LYS 46 - HG3 GLN 42 OK 19 99 - 19 - 2848=5, 2850/3.5=3...(6) HG3 PRO 30 - HG3 GLN 42 OK 14 100 - 14 - 1.8/2840=1, 2831/3.0=1 HG3 ARG 71 - HG3 GLN 42 OK 14 100 - 14 - 3.0/2852=2, 2831/3.0=1...(4) HB2 LEU 45 - HG3 GLN 42 OK 13 99 - 13 - 6032/3.9=4, 2831/3.0=1 HG2 ARG 71 - HG3 GLN 42 OK 12 90 - 13 - 3.0/2852=2, 2831/3.0=1 HG LEU 117 - HG3 GLN 42 lone 7 100 - 7 - HB2 LEU 117 - HG3 GLN 42 lone 6 93 - 6 - HD2 LYS 109 - HG3 GLN 42 lone 6 100 - 6 - HD3 LYS 109 - HG3 GLN 42 lone 6 99 - 6 - HB2 ARG 53 - HG3 GLN 42 lone 4 87 - 5 - HB2 GLU 75 - HG3 GLN 42 lone 4 90 - 4 - HB VAL 66 - HG3 GLN 42 lone 3 96 - 3 - HB2 LYS 32 - HG3 GLN 42 lone 3 65 - 4 - HB2 LEU 91 - HG3 GLN 42 lone 1 71 - 1 - HB2 PRO 37 - HG3 GLN 42 lone 1 65 - 1 - Peak 2856 from cnoeabs.peaks (1.69, 1.69, 33.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 42 + HG3 GLN 42 OK 100 100 - 100 Peak 2857 from cnoeabs.peaks (6.76, 1.69, 33.51 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: * HE21 GLN 42 + HG3 GLN 42 OK 100 100 - 100 - 3.5=100 HZ PHE 107 + HG3 GLN 42 OK 66 97 - 68 - 2.2/6779=14, 4770/3.9=10...(16) H LEU 27 - HG3 GLN 42 OK 34 99 - 34 - 4.0/6801=6, 878/3.0=4...(13) QE TYR 67 - HG3 GLN 42 OK 19 73 - 25 - 2.2/6780=5, ~6778=3...(12) H VAL 110 - HG3 GLN 42 poor 10 71 - 14 - 4.7/5571=3, 1747/5.2=2...(5) HD22 ASN 99 - HG3 GLN 42 lone 8 100 - 8 - HH2 TRP 20 - HG3 GLN 42 lone 3 60 - 5 - Peak 2858 from cnoeabs.peaks (6.62, 1.69, 33.51 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 42 + HG3 GLN 42 OK 100 100 - 100 - 3.5=100 Peak 2859 from cnoeabs.peaks (7.50, 3.92, 54.55 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 43 + HA ALA 43 OK 100 100 - 100 - 3.0=100 H LYS 109 - HA ALA 43 OK 15 85 - 18 - 2862/2.1=4, 183/3.6=3...(6) H GLY 104 - HA ALA 43 lone 6 81 - 7 - 2862/2.1=2, 183/3.6=1 Peak 2860 from cnoeabs.peaks (3.92, 3.92, 54.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 43 + HA ALA 43 OK 100 100 - 100 Peak 2861 from cnoeabs.peaks (1.34, 3.92, 54.55 ppm; 2.73 A): 1 out of 9 assignments used, quality = 1.00: * QB ALA 43 + HA ALA 43 OK 100 100 - 100 - 2.1=100 HG2 LYS 46 - HA ALA 43 OK 41 100 - 41 - 2.9/6803=5, 2.9/6805=5...(24) HG3 LYS 46 - HA ALA 43 OK 41 100 - 41 - 2.9/6803=5, 2.9/6805=5...(24) QG2 THR 17 - HA ALA 43 OK 11 100 - 11 - ~6020=3, 959/3.0=2...(5) QG2 THR 23 - HA ALA 43 lone 4 89 - 4 - HG3 LYS 119 - HA ALA 43 lone 3 93 - 3 - HB3 LEU 84 - HA ALA 43 lone 2 73 - 3 - HB3 LEU 59 - HA ALA 43 lone 2 96 - 2 - HG CYS 87 - HA ALA 43 lone 1 81 - 1 - Peak 2862 from cnoeabs.peaks (7.50, 1.34, 17.95 ppm; 2.77 A): 2 out of 3 assignments used, quality = 0.90: * H ALA 43 + QB ALA 43 OK 89 100 - 89 - 2.9=84, 183/3.6=12...(7) H LYS 109 + QB ALA 43 OK 11 85 - 13 - 2859/2.1=3, 3.0/6811=2...(5) H GLY 104 - QB ALA 43 lone 5 81 - 6 - Peak 2863 from cnoeabs.peaks (3.92, 1.34, 17.95 ppm; 2.69 A): 1 out of 13 assignments used, quality = 1.00: * HA ALA 43 + QB ALA 43 OK 100 100 - 100 - 2.1=100 HD3 PRO 68 - QB ALA 43 lone 7 99 - 7 - HD2 PRO 68 - QB ALA 43 lone 7 99 - 7 - HA THR 23 - QB ALA 43 lone 6 93 - 6 - 2185=1 HA ARG 85 - QB ALA 43 lone 4 97 - 4 - 6158/3.6=1, 958/2.9=1 HB2 SER 112 - QB ALA 43 lone 4 63 - 6 - 3.9/6817=2, 3.0/6811=2 HB3 SER 112 - QB ALA 43 lone 3 57 - 6 - 3.9/6817=2, 3.0/6811=2 HB THR 62 - QB ALA 43 lone 3 99 - 3 - HA ILE 34 - QB ALA 43 lone 1 89 - 2 - HA2 GLY 25 - QB ALA 43 lone 1 93 - 1 - HA SER 74 - QB ALA 43 lone 1 63 - 1 - HA2 GLY 2 - QB ALA 43 lone 1 89 - 1 - HA3 GLY 2 - QB ALA 43 lone 1 89 - 1 - Peak 2864 from cnoeabs.peaks (1.34, 1.34, 17.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 43 + QB ALA 43 OK 100 100 - 100 Peak 2865 from cnoeabs.peaks (7.95, 4.07, 60.94 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * H SER 44 + HA SER 44 OK 100 100 - 100 - 2.9=100 H ASP 47 - HA SER 44 OK 27 73 - 37 - 4.6/6819=7, 186/3.6=7...(11) H LEU 114 - HA SER 44 lone 6 73 - 9 - 4.6/1770=2, 5573/4.6=1 H ALA 89 - HA SER 44 lone 5 98 - 5 - H VAL 66 - HA SER 44 lone 4 93 - 4 - H ARG 92 - HA SER 44 lone 3 93 - 3 - Peak 2866 from cnoeabs.peaks (4.07, 4.07, 60.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 44 + HA SER 44 OK 100 100 - 100 Peak 2867 from cnoeabs.peaks (3.46, 4.07, 60.94 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HD3 PRO 70 - HA SER 44 OK 19 100 - 19 - 2875/3.0=4, 962/2.9=3...(8) HD2 PRO 37 - HA SER 44 OK 15 65 - 22 - 2875/3.0=2, 962/2.9=2...(10) HA VAL 18 - HA SER 44 poor 8 76 - 11 - 2875/3.0=2, 962/2.9=2, 188/3.6=1 Peak 2868 from cnoeabs.peaks (3.50, 4.07, 60.94 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HA LEU 84 - HA SER 44 OK 11 100 - 11 - 963/2.9=3, 2872/3.0=2...(4) HA VAL 18 - HA SER 44 OK 11 87 - 12 - 2872/3.0=3, 963/2.9=2, 189/3.6=2 HB2 PHE 83 - HA SER 44 lone 7 85 - 8 - 963/2.9=2, ~1601=1...(4) HB2 PHE 96 - HA SER 44 lone 3 87 - 4 - Peak 2869 from cnoeabs.peaks (7.95, 3.46, 62.81 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: * H SER 44 + HB2 SER 44 OK 100 100 - 100 - 4.0=100 H ASP 47 - HB2 SER 44 OK 21 73 - 29 - 3.6/6025=9, 186/4.6=8...(6) H ALA 89 - HB2 SER 44 lone 4 98 - 4 - 2865/3.0=1 H LEU 114 - HB2 SER 44 lone 3 73 - 5 - 2865/3.0=2 H VAL 66 - HB2 SER 44 lone 3 93 - 3 - H ARG 92 - HB2 SER 44 lone 2 93 - 3 - Peak 2870 from cnoeabs.peaks (4.07, 3.46, 62.81 ppm; 3.92 A): 1 out of 9 assignments used, quality = 1.00: * HA SER 44 + HB2 SER 44 OK 100 100 - 100 - 3.0=100 HD3 PRO 37 - HB2 SER 44 OK 21 73 - 28 - 2.3/2690=3, ~2875=3...(14) HA SER 112 - HB2 SER 44 lone 9 98 - 9 - 6225/4.0=3, 187/4.6=1 HA LYS 109 - HB2 SER 44 lone 8 92 - 9 - 961/4.0=3, 187/4.6=1, ~7846=1 HA LEU 55 - HB2 SER 44 lone 7 97 - 7 - 4.0/6906=1, 961/4.0=1 HA TYR 102 - HB2 SER 44 lone 6 81 - 8 - 187/4.6=2, 961/4.0=1 HA VAL 120 - HB2 SER 44 lone 3 92 - 3 - HA LYS 31 - HB2 SER 44 lone 3 92 - 3 - HA LEU 24 - HB2 SER 44 lone 1 60 - 2 - Peak 2871 from cnoeabs.peaks (3.46, 3.46, 62.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 Peak 2872 from cnoeabs.peaks (3.50, 3.46, 62.81 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 44 + HB2 SER 44 OK 100 100 - 100 - 1.8=100 HA VAL 18 - HB2 SER 44 OK 12 87 - 14 - 2868/3.0=2, 963/4.0=2...(4) HA LEU 84 - HB2 SER 44 lone 9 100 - 9 - 2868/3.0=2, 963/4.0=2, 189/4.6=1 HB2 PHE 83 - HB2 SER 44 lone 5 85 - 6 - 963/4.0=1, 2868/3.0=1 HB2 PHE 96 - HB2 SER 44 lone 3 87 - 3 - Peak 2873 from cnoeabs.peaks (7.95, 3.50, 62.81 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: * H SER 44 + HB3 SER 44 OK 100 100 - 100 - 4.0=100 H ASP 47 - HB3 SER 44 OK 21 73 - 29 - 3.6/6027=9, 186/4.6=7...(6) H ALA 89 - HB3 SER 44 lone 6 98 - 6 - 4.6/1709=1, 2865/3.0=1 H LEU 114 - HB3 SER 44 lone 4 73 - 5 - 2865/3.0=2 H VAL 66 - HB3 SER 44 lone 3 93 - 3 - H ARG 92 - HB3 SER 44 lone 3 93 - 3 - Peak 2874 from cnoeabs.peaks (4.07, 3.50, 62.81 ppm; 4.09 A): 1 out of 9 assignments used, quality = 1.00: * HA SER 44 + HB3 SER 44 OK 100 100 - 100 - 3.0=100 HD3 PRO 37 - HB3 SER 44 OK 20 73 - 27 - 1.8/2875=4, 2662/1.8=4...(11) HA LYS 109 - HB3 SER 44 OK 11 92 - 11 - 961/4.0=3, 187/4.6=2, 2.9/7846=1 HA SER 112 - HB3 SER 44 poor 10 98 - 10 - 6225/4.0=4, 187/4.6=1...(4) HA TYR 102 - HB3 SER 44 lone 7 81 - 9 - 187/4.6=2, 7746/6027=1 HA LEU 55 - HB3 SER 44 lone 7 97 - 7 - 961/4.0=1, 4.0/6831=1, 187/4.6=1 HA VAL 120 - HB3 SER 44 lone 3 92 - 3 - HA LYS 31 - HB3 SER 44 lone 3 92 - 3 - HA LEU 24 - HB3 SER 44 lone 2 60 - 3 - Peak 2875 from cnoeabs.peaks (3.46, 3.50, 62.81 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 44 + HB3 SER 44 OK 100 100 - 100 - 1.8=100 HD3 PRO 70 - HB3 SER 44 OK 19 100 - 19 - 2867/3.0=3, ~3795=3...(9) HD2 PRO 37 - HB3 SER 44 OK 12 65 - 18 - 1.8/2874=3, 2867/3.0=2...(9) HA VAL 18 - HB3 SER 44 OK 11 76 - 15 - 3.2/1997=2, 3.0/823=1...(7) Peak 2876 from cnoeabs.peaks (3.50, 3.50, 62.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 Peak 2877 from cnoeabs.peaks (7.78, 4.59, 54.09 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 45 + HA LEU 45 OK 100 100 - 100 - 3.0=100 H GLY 48 - HA LEU 45 OK 38 89 - 42 - 190/3.6=7, 208=7...(12) H ILE 124 - HA LEU 45 OK 36 100 - 36 - 2898/3.6=7, 190/3.6=7...(8) HD21 ASN 106 - HA LEU 45 lone 6 73 - 8 - 2884/3.0=1, 2891/3.0=1 Peak 2878 from cnoeabs.peaks (4.59, 4.59, 54.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 45 + HA LEU 45 OK 100 100 - 100 Peak 2879 from cnoeabs.peaks (1.75, 4.59, 54.09 ppm; 4.32 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 45 + HA LEU 45 OK 100 100 - 100 - 3.0=100 HB3 LYS 46 + HA LEU 45 OK 69 100 - 69 - 2939/3.6=14, 6856/3.0=10...(25) HG3 ARG 71 - HA LEU 45 OK 38 100 - 38 - ~6032=5, 2893/3.0=4...(20) HG2 ARG 71 - HA LEU 45 OK 37 97 - 38 - ~6032=5, 2893/3.0=4...(20) HG3 PRO 30 - HA LEU 45 OK 21 97 - 21 - 8246/4.0=3, 2893/3.0=2...(9) HG2 GLN 42 - HA LEU 45 OK 18 99 - 19 - 6856/3.0=3, 2893/3.0=2...(8) HB3 ARG 71 - HA LEU 45 OK 17 71 - 25 - 1.8/2881=3, ~2888=2...(13) HB2 GLU 75 - HA LEU 45 OK 13 78 - 16 - 3957/3.0=2, 1.8/2880=2...(7) HD2 LYS 109 - HA LEU 45 OK 11 98 - 11 - 192/3.6=2, 966/3.0=2, ~7835=1 HD3 LYS 109 - HA LEU 45 OK 10 96 - 11 - 192/3.6=2, 966/3.0=1, ~7835=1 HB2 LEU 91 - HA LEU 45 OK 10 85 - 12 - 4382/3.0=1, 1.8/2880=1 HG LEU 117 - HA LEU 45 lone 8 98 - 8 - 192/3.6=1 HB2 LYS 31 - HA LEU 45 poor 6 60 - 10 - HB2 LEU 117 - HA LEU 45 lone 6 83 - 7 - HB2 ARG 53 - HA LEU 45 lone 6 96 - 6 - 974/3.6=1 HB VAL 66 - HA LEU 45 lone 4 99 - 4 - Peak 2880 from cnoeabs.peaks (1.45, 4.59, 54.09 ppm; 4.41 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LEU 45 + HA LEU 45 OK 100 100 - 100 - 3.0=100 HD2 LYS 46 + HA LEU 45 OK 59 99 - 60 - 8583/3.6=8, 967/3.0=6...(26) HB3 LEU 101 + HA LEU 45 OK 50 97 - 52 - ~7725=8, ~7728=6...(19) HG LEU 24 - HA LEU 45 OK 43 100 - 43 - 2.1/2883=7, 2220/4.0=4...(17) HD2 LYS 65 - HA LEU 45 OK 23 99 - 23 - 193/3.6=3, 2887/3.0=2...(11) HD3 LYS 65 - HA LEU 45 OK 23 99 - 23 - 193/3.6=3, 2887/3.0=2...(11) HB3 GLU 75 - HA LEU 45 OK 18 100 - 18 - 2887/3.0=2, ~3957=2...(10) HG3 ARG 57 - HA LEU 45 OK 11 89 - 13 - 7039/4.0=2, 2887/3.0=1 HG2 LYS 119 - HA LEU 45 OK 11 97 - 11 - 193/3.6=2, 2887/3.0=1 HG3 LYS 31 - HA LEU 45 OK 11 95 - 11 - 2887/3.0=1 HB3 LEU 91 - HA LEU 45 OK 10 81 - 12 - 4388/3.0=1, 1.8/2879=1 QB ALA 98 - HA LEU 45 lone 6 65 - 9 - 7667/4.0=3 QB ALA 14 - HA LEU 45 lone 6 92 - 6 - 977/3.6=1 QB ALA 89 - HA LEU 45 lone 5 97 - 5 - HB2 LEU 93 - HA LEU 45 lone 4 92 - 5 - Peak 2881 from cnoeabs.peaks (1.97, 4.59, 54.09 ppm; 4.99 A): 3 out of 19 assignments used, quality = 1.00: * HG LEU 45 + HA LEU 45 OK 100 100 - 100 - 3.6=100 HB2 LYS 46 + HA LEU 45 OK 51 68 - 75 - 2929/3.6=11, ~1608=10...(25) HB ILE 124 + HA LEU 45 OK 50 97 - 52 - 5341/3.0=11, ~6837=8...(13) HB2 LEU 41 - HA LEU 45 OK 42 97 - 43 - 8261/4.0=9, ~1608=7...(9) HB2 ARG 71 - HA LEU 45 OK 34 100 - 34 - 2888/3.0=4, 3.0/2879=4...(14) HB3 PRO 30 - HA LEU 45 OK 18 73 - 24 - 2888/3.0=3, 2895/3.0=2...(12) HB3 GLU 69 - HA LEU 45 OK 17 63 - 27 - ~965=3, 1.8/3766=3...(14) HB3 PRO 68 - HA LEU 45 OK 13 97 - 14 - 3.9/1101=2, 194/3.6=2...(4) HG2 PRO 68 - HA LEU 45 OK 12 99 - 12 - 194/3.6=2, ~1605=2, 968/3.0=1 HB3 GLN 103 - HA LEU 45 OK 11 97 - 12 - 194/3.6=3, 4.6/5577=2...(5) HG LEU 114 - HA LEU 45 OK 11 99 - 11 - 194/3.6=5, 968/3.0=1...(4) HB3 LYS 119 - HA LEU 45 poor 7 63 - 11 - 2.9/2880=1, 194/3.6=1 HB2 MET 11 - HA LEU 45 lone 6 93 - 6 - 2929/3.6=1 HB3 ARG 85 - HA LEU 45 lone 5 73 - 7 - ~1605=2 HB2 ARG 85 - HA LEU 45 lone 5 73 - 7 - ~1605=2 HG2 PRO 60 - HA LEU 45 lone 4 81 - 5 - HB2 LEU 55 - HA LEU 45 lone 4 60 - 6 - ~187=1 HB3 GLU 94 - HA LEU 45 lone 3 87 - 4 - HB2 GLU 94 - HA LEU 45 lone 2 68 - 4 - Peak 2882 from cnoeabs.peaks (0.55, 4.59, 54.09 ppm; 3.39 A): 4 out of 4 assignments used, quality = 0.89: * QD2 LEU 45 + HA LEU 45 OK 76 100 - 76 - 4.0=60, 969/3.0=11...(9) QG1 VAL 50 + HA LEU 45 OK 28 96 - 30 - 2906=6, 2896/3.0=5...(8) HG12 ILE 34 + HA LEU 45 OK 28 100 - 28 - 2889/3.0=5, 2896/3.0=5...(8) QD2 LEU 77 + HA LEU 45 OK 10 87 - 12 - 969/3.0=2, 195/3.6=2...(6) Peak 2883 from cnoeabs.peaks (0.65, 4.59, 54.09 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 45 + HA LEU 45 OK 100 100 - 100 - 4.0=100 QD2 LEU 24 - HA LEU 45 OK 36 87 - 41 - 2897/3.0=6, 2890/3.0=6...(16) QD1 LEU 21 - HA LEU 45 OK 34 98 - 35 - 970/3.0=5, 2897/3.0=5...(9) QG2 VAL 26 - HA LEU 45 OK 19 83 - 23 - 2897/3.0=3, 970/3.0=3...(9) QD1 LEU 51 - HA LEU 45 OK 17 76 - 22 - 2890/3.0=5, 2904/3.6=5...(6) Peak 2884 from cnoeabs.peaks (7.78, 1.75, 43.18 ppm; 4.24 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 4.0=100 H ILE 124 - HB2 LEU 45 OK 42 100 - 42 - 2891/1.8=9, 2898/3.0=9...(9) H GLY 48 - HB2 LEU 45 OK 39 89 - 44 - 2891/1.8=8, 2877/3.0=7...(9) HD21 ASN 106 - HB2 LEU 45 poor 8 73 - 10 - 2891/1.8=1, 2898/3.0=1...(5) Peak 2885 from cnoeabs.peaks (4.59, 1.75, 43.18 ppm; 4.88 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 3.0=100 HA ASP 47 + HB2 LEU 45 OK 51 93 - 55 - 3.0/200=10, 2892/1.8=9...(14) HA TRP 20 - HB2 LEU 45 OK 43 100 - 43 - 2892/1.8=8, 3.0/6032=8...(10) HA GLU 69 - HB2 LEU 45 OK 27 92 - 29 - 2892/1.8=5, 965/4.0=4...(10) Peak 2886 from cnoeabs.peaks (1.75, 1.75, 43.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 45 + HB2 LEU 45 OK 100 100 - 100 Peak 2887 from cnoeabs.peaks (1.45, 1.75, 43.18 ppm; 3.76 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 1.8=100 HD2 LYS 46 + HB2 LEU 45 OK 55 99 - 56 - 2972=6, 8583/4.3=5...(27) HB3 LEU 101 + HB2 LEU 45 OK 48 97 - 50 - 3.1/6839=8, ~6840=5...(22) HG LEU 24 - HB2 LEU 45 OK 39 100 - 39 - 2.1/2890=6, 2220/3.1=4...(19) HD2 LYS 65 - HB2 LEU 45 OK 24 99 - 24 - 2.9/6839=3, 2.9/6839=3...(9) HD3 LYS 65 - HB2 LEU 45 OK 24 99 - 24 - 2.9/6839=3, 2.9/6839=3...(9) HB3 GLU 75 - HB2 LEU 45 OK 20 100 - 20 - 3962=2, ~3957=2...(8) HG3 ARG 57 - HB2 LEU 45 OK 12 89 - 13 - 7039/3.1=2 HB3 LEU 91 - HB2 LEU 45 OK 12 81 - 15 - 4388=1, ~4382=1 HG2 LYS 119 - HB2 LEU 45 OK 11 97 - 12 - 193/4.3=1 HG3 LYS 31 - HB2 LEU 45 OK 11 95 - 11 - QB ALA 98 - HB2 LEU 45 poor 7 65 - 10 - 7667/3.1=2, ~7674=1, ~7669=1 QB ALA 14 - HB2 LEU 45 lone 5 92 - 6 - HB2 LEU 93 - HB2 LEU 45 lone 5 92 - 6 - QB ALA 89 - HB2 LEU 45 lone 4 97 - 4 - Peak 2888 from cnoeabs.peaks (1.97, 1.75, 43.18 ppm; 4.17 A): 2 out of 19 assignments used, quality = 1.00: * HG LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 3.0=100 HB2 LEU 41 + HB2 LEU 45 OK 59 97 - 61 - 8261/3.1=8, ~6754=6...(23) HB2 LYS 46 - HB2 LEU 45 OK 45 68 - 66 - 4.0/974=8, 4.4/200=6...(30) HB2 ARG 71 - HB2 LEU 45 OK 44 100 - 44 - 3.6/6032=9, 3.6/6032=5...(23) HB ILE 124 - HB2 LEU 45 OK 35 97 - 36 - 5341/4.0=7, 4.0/2884=5...(14) HB3 PRO 30 - HB2 LEU 45 OK 25 73 - 34 - ~8248=3, 2895/1.8=2...(17) HG LEU 114 - HB2 LEU 45 OK 11 99 - 11 - 194/4.3=3 HB3 GLU 69 - HB2 LEU 45 OK 11 63 - 17 - 3.0/2885=3, ~2892=2...(7) HB3 GLN 103 - HB2 LEU 45 poor 10 97 - 10 - 194/4.3=2, 2895/1.8=1 HB3 PRO 68 - HB2 LEU 45 lone 9 97 - 10 - 194/4.3=1 HG2 PRO 68 - HB2 LEU 45 lone 9 99 - 9 - 194/4.3=1 HB3 LYS 119 - HB2 LEU 45 poor 7 63 - 12 - 2.9/2887=1 HB2 MET 11 - HB2 LEU 45 lone 5 93 - 6 - HG2 PRO 60 - HB2 LEU 45 lone 5 81 - 6 - HB2 ARG 85 - HB2 LEU 45 lone 4 73 - 6 - HB3 ARG 85 - HB2 LEU 45 lone 4 73 - 6 - HB2 LEU 55 - HB2 LEU 45 lone 4 60 - 6 - HB3 GLU 94 - HB2 LEU 45 lone 3 87 - 4 - HB2 GLU 94 - HB2 LEU 45 lone 2 68 - 3 - Peak 2889 from cnoeabs.peaks (0.55, 1.75, 43.18 ppm; 4.15 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 3.1=100 HG12 ILE 34 + HB2 LEU 45 OK 61 100 - 61 - 2896/1.8=10, 2903/3.0=8...(17) QG1 VAL 50 + HB2 LEU 45 OK 53 96 - 56 - 2896/1.8=9, 2903/3.0=8...(15) QD2 LEU 77 - HB2 LEU 45 OK 20 87 - 23 - 2896/1.8=3, 195/4.3=3...(9) Peak 2890 from cnoeabs.peaks (0.65, 1.75, 43.18 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 3.1=100 QD2 LEU 24 - HB2 LEU 45 OK 35 87 - 41 - 2897/1.8=7, 2904/3.0=4...(18) QD1 LEU 21 - HB2 LEU 45 OK 33 98 - 34 - 2897/1.8=6, 2904/3.0=4...(12) QD1 LEU 51 - HB2 LEU 45 OK 32 76 - 42 - ~6841=8, 2897/1.8=5...(15) QG2 VAL 26 - HB2 LEU 45 OK 19 83 - 23 - 2897/1.8=3, 2.1/8219=3...(10) Peak 2891 from cnoeabs.peaks (7.78, 1.45, 43.18 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 4.0=100 H ILE 124 + HB3 LEU 45 OK 46 100 - 46 - 2898/3.0=9, 2884/1.8=9...(10) H GLY 48 - HB3 LEU 45 OK 38 89 - 43 - 2884/1.8=8, 2877/3.0=7...(9) HD21 ASN 106 - HB3 LEU 45 lone 7 73 - 9 - 2884/1.8=2, 2898/3.0=1...(4) Peak 2892 from cnoeabs.peaks (4.59, 1.45, 43.18 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.0=100 HA ASP 47 + HB3 LEU 45 OK 49 93 - 53 - 2885/1.8=9, 3.0/203=7...(14) HA TRP 20 - HB3 LEU 45 OK 45 100 - 45 - 2885/1.8=8, 2913/3.1=6...(13) HA GLU 69 - HB3 LEU 45 OK 26 92 - 28 - 2885/1.8=5, 965/4.0=4...(10) Peak 2893 from cnoeabs.peaks (1.75, 1.45, 43.18 ppm; 3.64 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 1.8=100 HB3 LYS 46 + HB3 LEU 45 OK 57 100 - 58 - 2939/4.3=8, 6856/4.0=6...(28) HG3 ARG 71 - HB3 LEU 45 OK 43 100 - 43 - ~6032=5, 2900/3.0=3...(26) HG2 ARG 71 - HB3 LEU 45 OK 42 97 - 43 - ~6032=5, 2900/3.0=3...(26) HG2 GLN 42 - HB3 LEU 45 OK 25 99 - 26 - 3.9/6033=3, 2914/3.1=2...(13) HG3 PRO 30 - HB3 LEU 45 OK 24 97 - 24 - ~8248=2, 8246/3.1=2...(9) HB3 ARG 71 - HB3 LEU 45 OK 22 71 - 31 - 1.8/2895=3, ~2888=2...(20) HB2 GLU 75 - HB3 LEU 45 OK 16 78 - 20 - 3957=3, 3.0/3975=2...(7) HB2 LEU 91 - HB3 LEU 45 OK 12 85 - 14 - 4382=1 HG LEU 117 - HB3 LEU 45 lone 9 98 - 9 - HD2 LYS 109 - HB3 LEU 45 lone 8 98 - 9 - 192/4.3=1 HD3 LYS 109 - HB3 LEU 45 lone 8 96 - 8 - 192/4.3=1 HB2 LYS 31 - HB3 LEU 45 poor 8 60 - 12 - 1.8/2420=1 HB2 LEU 117 - HB3 LEU 45 lone 7 83 - 8 - HB2 ARG 53 - HB3 LEU 45 lone 6 96 - 6 - HB VAL 66 - HB3 LEU 45 lone 5 99 - 5 - Peak 2894 from cnoeabs.peaks (1.45, 1.45, 43.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 45 + HB3 LEU 45 OK 100 100 - 100 Peak 2895 from cnoeabs.peaks (1.97, 1.45, 43.18 ppm; 4.37 A): 3 out of 19 assignments used, quality = 1.00: * HG LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.0=100 HB2 LEU 41 + HB3 LEU 45 OK 65 97 - 67 - 3.1/8263=9, 8261/3.1=9...(23) HB2 LYS 46 + HB3 LEU 45 OK 46 68 - 67 - 2929/4.3=8, 1.8/2893=7...(34) HB2 ARG 71 - HB3 LEU 45 OK 42 100 - 42 - 2888/1.8=5, 3.0/2893=4...(22) HB ILE 124 - HB3 LEU 45 OK 40 97 - 42 - 5341/4.0=8, 4.0/2891=6...(15) HB3 PRO 30 - HB3 LEU 45 OK 26 73 - 36 - ~8248=3, 2.3/8245=3...(19) HB3 GLN 103 - HB3 LEU 45 OK 12 97 - 12 - 194/4.3=2, 4.6/5579=2 HB3 GLU 69 - HB3 LEU 45 OK 12 63 - 18 - 3.0/2892=3, ~2885=2...(7) HG LEU 114 - HB3 LEU 45 OK 12 99 - 12 - 194/4.3=4, 2888/1.8=1 HB3 PRO 68 - HB3 LEU 45 OK 10 97 - 11 - 194/4.3=1 HG2 PRO 68 - HB3 LEU 45 OK 10 99 - 10 - 194/4.3=1 HB3 LYS 119 - HB3 LEU 45 poor 9 63 - 14 - 1.8/5204=1 HB2 MET 11 - HB3 LEU 45 lone 6 93 - 7 - 2929/4.3=1 HG2 PRO 60 - HB3 LEU 45 lone 6 81 - 7 - HB3 ARG 85 - HB3 LEU 45 lone 5 73 - 7 - HB2 ARG 85 - HB3 LEU 45 lone 5 73 - 7 - HB2 LEU 55 - HB3 LEU 45 lone 5 60 - 7 - HB3 GLU 94 - HB3 LEU 45 lone 4 87 - 5 - HB2 GLU 94 - HB3 LEU 45 lone 3 68 - 4 - Peak 2896 from cnoeabs.peaks (0.55, 1.45, 43.18 ppm; 4.01 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.1=100 HG12 ILE 34 + HB3 LEU 45 OK 54 100 - 54 - 2889/1.8=9, 2903/3.0=8...(16) QG1 VAL 50 + HB3 LEU 45 OK 50 96 - 53 - 2889/1.8=8, 2917/3.1=7...(15) QD2 LEU 77 - HB3 LEU 45 OK 19 87 - 22 - 2889/1.8=3, 195/4.3=3...(9) Peak 2897 from cnoeabs.peaks (0.65, 1.45, 43.18 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.1=100 QD2 LEU 24 - HB3 LEU 45 OK 41 87 - 47 - 2890/1.8=6, 2226=5...(23) QD1 LEU 21 - HB3 LEU 45 OK 34 98 - 35 - 2890/1.8=5, 2904/3.0=4...(12) QD1 LEU 51 - HB3 LEU 45 OK 31 76 - 41 - ~6841=8, 2890/1.8=5...(15) QG2 VAL 26 - HB3 LEU 45 OK 20 83 - 25 - 2890/1.8=3, 2883/3.0=2...(10) Peak 2898 from cnoeabs.peaks (7.78, 1.97, 25.89 ppm; 4.24 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 45 + HG LEU 45 OK 85 100 - 85 - 5.2=54, 970/2.1=21...(10) H ILE 124 + HG LEU 45 OK 49 100 - 49 - 2912/2.1=9, 1411=7...(12) H GLY 48 + HG LEU 45 OK 31 89 - 35 - 2912/2.1=8, 2884/3.0=6...(7) HD21 ASN 106 - HG LEU 45 lone 6 73 - 8 - 2884/3.0=1, 2912/2.1=1 Peak 2900 from cnoeabs.peaks (1.75, 1.97, 25.89 ppm; 3.88 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LEU 45 + HG LEU 45 OK 100 100 - 100 - 3.0=100 HB3 LYS 46 + HG LEU 45 OK 53 100 - 53 - 2914/2.1=5, 6856/5.2=5...(25) HG3 ARG 71 + HG LEU 45 OK 49 100 - 50 - 3.0/3880=5, 2914/2.1=4...(24) HG2 ARG 71 + HG LEU 45 OK 48 97 - 50 - 3.0/3880=5, 2914/2.1=4...(24) HG2 GLN 42 - HG LEU 45 OK 28 99 - 28 - 3.0/8269=4, 3.9/6788=3...(12) HB3 ARG 71 - HG LEU 45 OK 27 71 - 39 - 3.6/3880=4, 3.6/3888=4...(20) HG3 PRO 30 - HG LEU 45 OK 27 97 - 27 - ~8248=4, 8246/2.1=3...(11) HB2 GLU 75 - HG LEU 45 OK 14 78 - 17 - 3957/3.0=2, 1.8/2901=2...(5) HG LEU 117 - HG LEU 45 OK 10 98 - 10 - 2.1/8269=1 HB2 LEU 91 - HG LEU 45 poor 9 85 - 11 - 4382/3.0=1 HB2 LEU 117 - HG LEU 45 lone 8 83 - 9 - 3.1/8269=1 HD2 LYS 109 - HG LEU 45 lone 7 98 - 8 - HD3 LYS 109 - HG LEU 45 lone 7 96 - 8 - HB2 LYS 31 - HG LEU 45 poor 6 60 - 10 - HB2 ARG 53 - HG LEU 45 lone 6 96 - 6 - HB VAL 66 - HG LEU 45 lone 4 99 - 4 - Peak 2901 from cnoeabs.peaks (1.45, 1.97, 25.89 ppm; 4.38 A): 4 out of 15 assignments used, quality = 1.00: * HB3 LEU 45 + HG LEU 45 OK 100 100 - 100 - 3.0=100 HB3 LEU 101 + HG LEU 45 OK 60 97 - 62 - ~8153=10, ~8154=9...(22) HD2 LYS 46 + HG LEU 45 OK 57 99 - 58 - 2915/2.1=6, 2887/3.0=5...(30) HG LEU 24 + HG LEU 45 OK 47 100 - 47 - 2.1/2904=6, 2220/2.1=6...(20) HD2 LYS 65 - HG LEU 45 OK 25 99 - 25 - 2887/3.0=2, 2.9/8270=2...(12) HD3 LYS 65 - HG LEU 45 OK 25 99 - 25 - 2887/3.0=2, 2.9/8270=2...(12) HB3 GLU 75 - HG LEU 45 OK 23 100 - 23 - 2915/2.1=2, 2887/3.0=2...(10) HG3 ARG 57 - HG LEU 45 OK 16 89 - 18 - 7039/2.1=4, ~7040=2...(7) HG2 LYS 119 - HG LEU 45 OK 13 97 - 13 - 2915/2.1=1, 2887/3.0=1, ~8283=1 HG3 LYS 31 - HG LEU 45 OK 12 95 - 12 - 2887/3.0=1, 2915/2.1=1 HB3 LEU 91 - HG LEU 45 OK 11 81 - 14 - 4388/3.0=1, 1.8/2900=1 QB ALA 98 - HG LEU 45 poor 10 65 - 15 - 7667/2.1=4, ~7674=2, ~7669=2 QB ALA 14 - HG LEU 45 lone 8 92 - 9 - 2915/2.1=1 HB2 LEU 93 - HG LEU 45 lone 7 92 - 7 - QB ALA 89 - HG LEU 45 lone 5 97 - 5 - Peak 2902 from cnoeabs.peaks (1.97, 1.97, 25.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 45 + HG LEU 45 OK 100 100 - 100 Peak 2903 from cnoeabs.peaks (0.55, 1.97, 25.89 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 45 + HG LEU 45 OK 100 100 - 100 - 2.1=100 HG12 ILE 34 + HG LEU 45 OK 47 100 - 48 - 2917/2.1=7, 2889/3.0=6...(16) QG1 VAL 50 - HG LEU 45 OK 45 96 - 47 - 2917/2.1=8, 2896/3.0=5...(14) QD2 LEU 77 - HG LEU 45 OK 15 87 - 17 - 2917/2.1=2, 2896/3.0=2...(8) Peak 2904 from cnoeabs.peaks (0.65, 1.97, 25.89 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 45 + HG LEU 45 OK 100 100 - 100 - 2.1=100 QD1 LEU 51 - HG LEU 45 OK 26 76 - 34 - 2.1/6841=10, ~6842=5...(12) QD2 LEU 24 - HG LEU 45 OK 24 87 - 28 - 2897/3.0=4, 2890/3.0=3...(14) QD1 LEU 21 - HG LEU 45 OK 24 98 - 24 - 2897/3.0=3, 2911/2.1=3...(11) QG2 VAL 26 - HG LEU 45 OK 11 83 - 13 - 2897/3.0=2, 2890/3.0=2...(4) Peak 2905 from cnoeabs.peaks (7.78, 0.55, 21.35 ppm; 4.36 A): 1 out of 8 assignments used, quality = 0.96: * H LEU 45 + QD2 LEU 45 OK 96 100 - 96 - 4.7=82, 2912/2.1=22...(12) H ILE 124 - QD2 LEU 45 OK 42 100 - 43 - 2898/2.1=11, 2912/2.1=9...(10) H GLY 48 - QD2 LEU 45 OK 38 89 - 43 - 2912/2.1=8, 2898/2.1=7...(12) H LEU 45 - QG1 VAL 50 OK 37 78 - 47 - 969=10, 3.0/2882=8...(10) H GLY 48 - QG1 VAL 50 poor 10 63 - 15 - 8278/4.3=4, 7395/7419=1 H ILE 124 - QG1 VAL 50 lone 7 77 - 9 - HD21 ASN 106 - QD2 LEU 45 lone 7 73 - 9 - 2912/2.1=1, 2898/2.1=1...(4) HD21 ASN 106 - QG1 VAL 50 lone 1 50 - 3 - Peak 2906 from cnoeabs.peaks (4.59, 0.55, 21.35 ppm; 3.72 A): 3 out of 8 assignments used, quality = 0.94: * HA LEU 45 + QD2 LEU 45 OK 89 100 - 89 - 4.0=79, 3.0/969=14...(9) HA LEU 45 + QG1 VAL 50 OK 29 78 - 37 - 2882=10, 3.0/2896=6...(8) HA ASP 47 + QD2 LEU 45 OK 26 93 - 28 - 2913/2.1=4, 2892/3.1=4...(10) HA TRP 20 - QD2 LEU 45 OK 18 100 - 18 - 2913/2.1=4, 2892/3.1=4...(6) HA GLU 69 - QD2 LEU 45 OK 13 92 - 14 - 2913/2.1=2, 2892/3.1=2...(4) HA GLU 69 - QG1 VAL 50 lone 4 66 - 6 - ~6918=3, ~324=1 HA ASP 47 - QG1 VAL 50 lone 3 68 - 4 - HA TRP 20 - QG1 VAL 50 lone 2 78 - 3 - Peak 2907 from cnoeabs.peaks (1.75, 0.55, 21.35 ppm; 3.74 A): 2 out of 32 assignments used, quality = 1.00: * HB2 LEU 45 + QD2 LEU 45 OK 100 100 - 100 - 3.1=100 HB3 LYS 46 + QD2 LEU 45 OK 53 100 - 53 - 4.0/195=8, 6856/4.7=5...(23) HG3 ARG 71 - QD2 LEU 45 OK 43 100 - 43 - 2914/2.1=4, 2900/2.1=4...(21) HG2 ARG 71 - QD2 LEU 45 OK 42 97 - 43 - 2914/2.1=4, 2900/2.1=4...(21) HB2 LEU 45 - QG1 VAL 50 OK 40 78 - 51 - 2889=8, 1.8/2896=7...(15) HG3 PRO 30 - QD2 LEU 45 OK 26 97 - 27 - 1.8/8248=4, 8246=2...(8) HB2 ARG 53 - QG1 VAL 50 OK 26 71 - 36 - 6046/3.2=10, ~6047=8...(9) HG2 GLN 42 - QD2 LEU 45 OK 22 99 - 22 - 2914/2.1=3, ~8269=2...(9) HG LEU 117 - QG1 VAL 50 OK 21 74 - 29 - 5157/2.1=4, ~3056=3...(12) HB3 ARG 71 - QD2 LEU 45 OK 21 71 - 30 - 1.8/2909=3, 3856/2.1=2...(15) HB2 LEU 117 - QG1 VAL 50 OK 14 58 - 24 - 5143/2.1=3, ~5150=3...(12) HB2 GLU 75 - QD2 LEU 45 OK 12 78 - 16 - 3957/3.1=2, 1.8/2908=1...(7) HG LEU 117 - QD2 LEU 45 OK 11 98 - 11 - HB2 LEU 91 - QD2 LEU 45 poor 9 85 - 11 - 8362/8153=1 HB3 LYS 46 - QG1 VAL 50 poor 9 78 - 11 - 4.0/195=4 HD2 LYS 109 - QD2 LEU 45 lone 8 98 - 8 - HB2 ARG 53 - QD2 LEU 45 lone 8 96 - 8 - 4.4/8237=1, 6046/3050=1 HD3 LYS 109 - QD2 LEU 45 lone 8 96 - 8 - HB2 LEU 117 - QD2 LEU 45 lone 7 83 - 9 - HB2 LYS 31 - QD2 LEU 45 lone 6 60 - 9 - HG3 PRO 30 - QG1 VAL 50 lone 4 73 - 6 - HG2 GLN 42 - QG1 VAL 50 lone 4 76 - 6 - HB VAL 66 - QD2 LEU 45 lone 4 99 - 4 - HB2 LEU 91 - QG1 VAL 50 lone 4 60 - 7 - HG3 ARG 71 - QG1 VAL 50 lone 3 78 - 4 - HD2 LYS 109 - QG1 VAL 50 lone 3 74 - 4 - HG2 ARG 71 - QG1 VAL 50 lone 3 73 - 4 - HD3 LYS 109 - QG1 VAL 50 lone 3 71 - 4 - HB2 LYS 31 - QG1 VAL 50 lone 3 40 - 7 - HB VAL 66 - QG1 VAL 50 lone 2 76 - 3 - HB3 ARG 71 - QG1 VAL 50 lone 1 48 - 3 - HB2 GLU 75 - QG1 VAL 50 lone 1 54 - 2 - Peak 2908 from cnoeabs.peaks (1.45, 0.55, 21.35 ppm; 3.82 A): 3 out of 30 assignments used, quality = 1.00: * HB3 LEU 45 + QD2 LEU 45 OK 100 100 - 100 - 3.1=100 HB3 LEU 101 + QD2 LEU 45 OK 53 97 - 55 - 3.1/8153=13, 3.1/8154=11...(19) HD2 LYS 46 + QD2 LEU 45 OK 48 99 - 49 - 5.7/195=6, 2915/2.1=5...(23) HB3 LEU 45 - QG1 VAL 50 OK 41 78 - 52 - 2896=10, 1.8/2889=7...(15) HG LEU 24 - QD2 LEU 45 OK 37 100 - 37 - 2220/2.1=5, 2.1/2911=3...(17) HD3 LYS 65 - QD2 LEU 45 OK 18 99 - 18 - 2887/3.1=2, 2915/2.1=2...(10) HD2 LYS 65 - QD2 LEU 45 OK 18 99 - 18 - 2887/3.1=2, 2915/2.1=2...(10) HB3 GLU 75 - QD2 LEU 45 OK 17 100 - 17 - 2915/2.1=2, 2901/2.1=2...(5) HB3 LEU 101 - QG1 VAL 50 OK 13 72 - 18 - 3.1/8153=5, 3.1/8154=4 HG3 ARG 57 - QD2 LEU 45 OK 12 89 - 14 - 7039/2.1=3, ~7040=1, 2901/2.1=1 QB ALA 98 - QG1 VAL 50 OK 12 44 - 26 - 7667=6, 4.5/7677=5...(8) QB ALA 98 - QD2 LEU 45 OK 11 65 - 17 - 7667=4, 4.5/7677=3...(4) HG2 LYS 119 - QD2 LEU 45 OK 10 97 - 10 - 2915/2.1=1 HG LEU 24 - QG1 VAL 50 OK 10 78 - 13 - ~6466=3, ~5994=2...(4) HB3 LEU 91 - QD2 LEU 45 poor 9 81 - 12 - 8364/8153=1 HG3 LYS 31 - QD2 LEU 45 lone 9 95 - 10 - HG2 LYS 119 - QG1 VAL 50 poor 9 73 - 12 - ~8032=2, 1.8/8283=1...(4) QB ALA 14 - QG1 VAL 50 poor 7 66 - 11 - ~3062=2, ~3052=2...(5) HD2 LYS 46 - QG1 VAL 50 lone 7 75 - 9 - 5.7/195=2 QB ALA 14 - QD2 LEU 45 lone 6 92 - 6 - QB ALA 89 - QG1 VAL 50 lone 5 73 - 7 - 6162/3.2=2, 7564/2.1=2 QB ALA 89 - QD2 LEU 45 lone 4 97 - 4 - HG3 LYS 31 - QG1 VAL 50 lone 4 69 - 6 - HB2 LEU 93 - QD2 LEU 45 lone 4 92 - 5 - HB3 LEU 91 - QG1 VAL 50 lone 4 56 - 7 - 8365/2.1=1 HB3 GLU 75 - QG1 VAL 50 lone 2 78 - 3 - HD2 LYS 65 - QG1 VAL 50 lone 2 76 - 3 - HD3 LYS 65 - QG1 VAL 50 lone 2 76 - 3 - HG3 ARG 57 - QG1 VAL 50 lone 2 63 - 3 - HB2 LEU 93 - QG1 VAL 50 lone 2 66 - 3 - Peak 2909 from cnoeabs.peaks (1.97, 0.55, 21.35 ppm; 3.40 A): 2 out of 38 assignments used, quality = 1.00: * HG LEU 45 + QD2 LEU 45 OK 100 100 - 100 - 2.1=100 HB2 LEU 41 + QD2 LEU 45 OK 47 97 - 49 - 2916/2.1=6, ~6754=5...(20) HG LEU 45 - QG1 VAL 50 OK 36 78 - 46 - 2903=9, 2.1/2917=8...(14) HB2 LYS 46 - QD2 LEU 45 OK 29 68 - 43 - 4.0/195=7, 2916/2.1=3...(20) HB ILE 124 - QD2 LEU 45 OK 24 97 - 25 - 5341/4.7=4, ~8270=3...(12) HB2 ARG 71 - QD2 LEU 45 OK 24 100 - 24 - 2916/2.1=3, 2888/3.1=2...(12) HB3 PRO 30 - QD2 LEU 45 OK 15 73 - 21 - 2.3/8248=3, 2.3/8246=2...(5) HB2 LEU 55 - QG1 VAL 50 poor 7 40 - 19 - 1.8/4009=2, ~7009=2...(9) HB3 GLN 103 - QD2 LEU 45 lone 6 97 - 7 - 4.0/7768=1 HB3 GLU 69 - QD2 LEU 45 lone 6 63 - 9 - 3.0/2906=2, ~2913=1 HG LEU 114 - QD2 LEU 45 lone 6 99 - 6 - HB3 PRO 68 - QD2 LEU 45 lone 6 97 - 6 - HG2 PRO 68 - QD2 LEU 45 lone 5 99 - 5 - HB2 LEU 41 - QG1 VAL 50 lone 5 72 - 7 - HB3 LYS 119 - QD2 LEU 45 lone 5 63 - 7 - HB3 LYS 119 - QG1 VAL 50 poor 4 42 - 11 - ~8032=2, ~3064=1, 8035/2.1=1 HB2 LYS 46 - QG1 VAL 50 lone 4 46 - 8 - 4.0/195=3 HG2 PRO 60 - QD2 LEU 45 lone 4 81 - 4 - HB3 PRO 68 - QG1 VAL 50 lone 4 72 - 5 - HG2 PRO 68 - QG1 VAL 50 lone 3 75 - 5 - HB2 ARG 85 - QD2 LEU 45 lone 3 73 - 4 - HB3 ARG 85 - QD2 LEU 45 lone 3 73 - 4 - HB2 MET 11 - QD2 LEU 45 lone 3 93 - 3 - HB3 GLN 103 - QG1 VAL 50 lone 3 72 - 4 - 4.0/7768=2 HB2 LEU 55 - QD2 LEU 45 lone 3 60 - 4 - HB ILE 124 - QG1 VAL 50 lone 2 72 - 3 - HG LEU 114 - QG1 VAL 50 lone 2 75 - 3 - ~7960=1 HB3 GLU 94 - QD2 LEU 45 lone 2 87 - 3 - HB3 GLU 94 - QG1 VAL 50 lone 2 62 - 3 - HB2 ARG 71 - QG1 VAL 50 lone 2 78 - 2 - HB3 PRO 30 - QG1 VAL 50 lone 2 50 - 4 - HB2 GLU 94 - QD2 LEU 45 lone 2 68 - 2 - HG2 PRO 60 - QG1 VAL 50 lone 1 56 - 2 - HB2 GLU 94 - QG1 VAL 50 lone 1 46 - 2 - HB2 ARG 85 - QG1 VAL 50 lone 1 50 - 2 - HB3 ARG 85 - QG1 VAL 50 lone 1 50 - 2 - HB3 GLU 69 - QG1 VAL 50 lone 1 42 - 2 - HB2 MET 11 - QG1 VAL 50 lone 1 68 - 1 - Peak 2910 from cnoeabs.peaks (0.55, 0.55, 21.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 45 + QD2 LEU 45 OK 100 100 - 100 QG1 VAL 50 + QG1 VAL 50 OK 71 71 - 100 Peak 2911 from cnoeabs.peaks (0.65, 0.55, 21.35 ppm; 2.54 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 45 + QD2 LEU 45 OK 100 100 - 100 - 2.1=100 QD1 LEU 45 - QG1 VAL 50 OK 24 78 - 31 - 2917=8, 8282/2.1=4...(12) QD1 LEU 51 - QD2 LEU 45 OK 21 76 - 28 - 2.1/6842=6, ~6841=4...(11) QD1 LEU 21 - QG1 VAL 50 OK 18 74 - 25 - 2.1/6511=4, 8282/2.1=4...(9) QD1 LEU 21 - QD2 LEU 45 OK 18 98 - 18 - 2904/2.1=3, 2.1/6511=2...(8) QD2 LEU 24 - QD2 LEU 45 OK 16 87 - 19 - 2904/2.1=3, 2897/3.1=2...(8) QG2 VAL 26 - QG1 VAL 50 OK 13 58 - 23 - 8215/3.2=4, 8282/2.1=4...(10) QG2 VAL 26 - QD2 LEU 45 poor 9 83 - 11 - 2904/2.1=1, 2897/3.1=1 QD1 LEU 51 - QG1 VAL 50 poor 8 52 - 16 - 4.8/222=3, 2.1/6842=3...(6) QD2 LEU 24 - QG1 VAL 50 lone 4 62 - 7 - ~6466=1, 8282/2.1=1 Peak 2912 from cnoeabs.peaks (7.78, 0.65, 25.76 ppm; 3.96 A): 3 out of 4 assignments used, quality = 0.94: * H LEU 45 + QD1 LEU 45 OK 86 100 - 86 - 4.7=61, 969/2.1=18...(11) H ILE 124 + QD1 LEU 45 OK 35 100 - 35 - 2898/2.1=9, 2891/3.1=6...(9) H GLY 48 + QD1 LEU 45 OK 30 89 - 34 - 2898/2.1=6, 2884/3.1=5...(10) HD21 ASN 106 - QD1 LEU 45 lone 5 73 - 7 - 2898/2.1=1, 2884/3.1=1 Peak 2913 from cnoeabs.peaks (4.59, 0.65, 25.76 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 4.0=100 HA TRP 20 - QD1 LEU 45 OK 39 100 - 39 - 2892/3.1=6, 2885/3.1=6...(11) HA ASP 47 - QD1 LEU 45 OK 39 93 - 42 - 2885/3.1=7, 2892/3.1=7...(11) HA GLU 69 - QD1 LEU 45 OK 22 92 - 23 - 2885/3.1=4, 2892/3.1=4...(6) Peak 2914 from cnoeabs.peaks (1.75, 0.65, 25.76 ppm; 3.51 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 3.1=100 HB3 LYS 46 + QD1 LEU 45 OK 47 100 - 48 - 4.0/5582=8, 6856/4.7=5...(20) HG3 ARG 71 - QD1 LEU 45 OK 38 100 - 38 - 2900/2.1=4, 3.0/6848=3...(18) HG2 ARG 71 - QD1 LEU 45 OK 37 97 - 38 - 3.0/6848=3, 2900/2.1=3...(18) HG2 GLN 42 - QD1 LEU 45 OK 26 99 - 26 - 3.9/6786=7, 6777/6849=2...(10) HG3 PRO 30 - QD1 LEU 45 OK 21 97 - 21 - ~8248=3, 8246/2.1=2...(5) HB3 ARG 71 - QD1 LEU 45 OK 20 71 - 28 - 1.8/2916=4, 3.6/6848=3...(15) HB2 GLU 75 - QD1 LEU 45 OK 11 78 - 14 - 1.8/2915=2, 3957/3.1=1 HG LEU 117 - QD1 LEU 45 lone 8 98 - 8 - HB2 LEU 91 - QD1 LEU 45 lone 7 85 - 9 - HB2 LEU 117 - QD1 LEU 45 lone 6 83 - 7 - HD2 LYS 109 - QD1 LEU 45 lone 6 98 - 6 - HD3 LYS 109 - QD1 LEU 45 lone 6 96 - 6 - HB2 ARG 53 - QD1 LEU 45 lone 5 96 - 5 - HB2 LYS 31 - QD1 LEU 45 lone 4 60 - 7 - HB VAL 66 - QD1 LEU 45 lone 3 99 - 3 - Peak 2915 from cnoeabs.peaks (1.45, 0.65, 25.76 ppm; 3.44 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 3.1=100 HB3 LEU 101 - QD1 LEU 45 OK 43 97 - 45 - ~8153=6, ~8154=5...(20) HD2 LYS 46 - QD1 LEU 45 OK 41 99 - 41 - 5.7/5582=5, 2887/3.1=3...(16) HG LEU 24 - QD1 LEU 45 OK 36 100 - 36 - 2220=6, 2.1/2234=4...(18) HB3 GLU 75 - QD1 LEU 45 OK 15 100 - 14 - 2887/3.1=1, 2901/2.1=1...(5) HD3 LYS 65 - QD1 LEU 45 OK 14 99 - 15 - 2887/3.1=1, 2901/2.1=1 HD2 LYS 65 - QD1 LEU 45 OK 14 99 - 15 - 2887/3.1=1, 2901/2.1=1 HG3 ARG 57 - QD1 LEU 45 OK 14 89 - 16 - 7039=3, 1.8/7040=1...(4) HG2 LYS 119 - QD1 LEU 45 lone 8 97 - 8 - QB ALA 14 - QD1 LEU 45 lone 7 92 - 8 - 6316/6849=2 HB3 LEU 91 - QD1 LEU 45 lone 7 81 - 9 - HG3 LYS 31 - QD1 LEU 45 lone 7 95 - 7 - QB ALA 98 - QD1 LEU 45 poor 7 65 - 11 - 7667/2.1=3, ~7674=1, ~7669=1 HB2 LEU 93 - QD1 LEU 45 lone 4 92 - 4 - QB ALA 89 - QD1 LEU 45 lone 3 97 - 3 - Peak 2916 from cnoeabs.peaks (1.97, 0.65, 25.76 ppm; 3.07 A): 2 out of 19 assignments used, quality = 1.00: * HG LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 2.1=100 HB2 LEU 41 + QD1 LEU 45 OK 47 97 - 49 - 3.1/6754=9, 3.0/6752=6...(21) HB2 LYS 46 - QD1 LEU 45 OK 24 68 - 36 - 4.0/5582=6, 1.8/2914=4...(15) HB2 ARG 71 - QD1 LEU 45 OK 24 100 - 24 - 3.0/2914=2, 3.6/6848=2...(11) HB ILE 124 - QD1 LEU 45 OK 21 97 - 22 - 4.0/2912=3, 5341/4.7=3...(9) HB3 PRO 30 - QD1 LEU 45 OK 13 73 - 17 - ~8248=2, 2.3/2914=1...(4) HB3 GLN 103 - QD1 LEU 45 lone 5 97 - 5 - HG LEU 114 - QD1 LEU 45 lone 5 99 - 5 - HB3 PRO 68 - QD1 LEU 45 lone 5 97 - 5 - HB3 GLU 69 - QD1 LEU 45 lone 5 63 - 7 - 3.0/2913=1 HG2 PRO 68 - QD1 LEU 45 lone 4 99 - 4 - HB3 LYS 119 - QD1 LEU 45 lone 4 63 - 6 - HG2 PRO 60 - QD1 LEU 45 lone 3 81 - 4 - HB2 ARG 85 - QD1 LEU 45 lone 3 73 - 4 - HB3 ARG 85 - QD1 LEU 45 lone 3 73 - 4 - HB2 LEU 55 - QD1 LEU 45 lone 3 60 - 4 - HB2 MET 11 - QD1 LEU 45 lone 2 93 - 3 - HB3 GLU 94 - QD1 LEU 45 lone 2 87 - 2 - HB2 GLU 94 - QD1 LEU 45 lone 1 68 - 2 - Peak 2917 from cnoeabs.peaks (0.55, 0.65, 25.76 ppm; 2.63 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 2.1=100 QG1 VAL 50 - QD1 LEU 45 OK 30 96 - 31 - 2911=5, 2.1/8282=4...(13) HG12 ILE 34 - QD1 LEU 45 OK 26 100 - 27 - 2903/2.1=4, 2889/3.1=3...(11) QD2 LEU 77 - QD1 LEU 45 lone 8 87 - 10 - 2903/2.1=1, 2896/3.1=1 Peak 2918 from cnoeabs.peaks (0.65, 0.65, 25.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 45 + QD1 LEU 45 OK 100 100 - 100 Peak 2919 from cnoeabs.peaks (6.90, 3.64, 60.95 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 46 + HA LYS 46 OK 100 100 - 100 - 2.9=100 HE22 GLN 103 - HA LYS 46 OK 33 100 - 33 - 2929/3.0=5, 2939/3.0=5...(13) HZ3 TRP 20 - HA LYS 46 OK 31 100 - 31 - 2939/3.0=4, 2929/3.0=4...(12) QE TYR 102 - HA LYS 46 OK 29 63 - 46 - 2.2/6853=9, 4759/3.9=5...(16) Peak 2920 from cnoeabs.peaks (3.64, 3.64, 60.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 46 + HA LYS 46 OK 100 100 - 100 Peak 2921 from cnoeabs.peaks (2.00, 3.64, 60.95 ppm; 3.58 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 46 + HA LYS 46 OK 100 100 - 100 - 3.0=100 HB2 LEU 41 + HA LYS 46 OK 47 92 - 52 - 1.8/2792=7, 3.1/2806=6...(19) HB3 GLN 103 - HA LYS 46 OK 38 92 - 41 - 4736/6.1=4, 2941/3.0=3...(22) HG LEU 45 - HA LYS 46 OK 36 68 - 53 - ~5582=7, 5.2/1608=6...(24) HG LEU 114 - HA LYS 46 OK 30 87 - 34 - ~7949=5, 973/2.9=3...(13) HB ILE 124 - HA LYS 46 OK 26 92 - 29 - 3.0/8585=5, 4.0/6854=4...(11) HB2 MET 11 - HA LYS 46 OK 21 96 - 21 - 2930=4, 2932/3.0=2...(10) HB3 PRO 68 - HA LYS 46 OK 18 92 - 19 - 2941/3.0=2, ~6864=1...(6) HG2 PRO 68 - HA LYS 46 OK 16 87 - 19 - ~6864=2, ~6865=2...(5) HB2 LEU 55 - HA LYS 46 OK 14 100 - 14 - 3.0/6861=2, 2785=1 HB3 ARG 53 - HA LYS 46 poor 10 71 - 13 - 3.0/6860=3, 1.8/2922=1 HB2 ARG 71 - HA LYS 46 poor 8 73 - 10 - 3.0/2922=1, 3.0/2922=1 HG2 PRO 60 - HA LYS 46 lone 5 100 - 5 - HB2 GLU 94 - HA LYS 46 lone 3 100 - 3 - Peak 2922 from cnoeabs.peaks (1.75, 3.64, 60.95 ppm; 3.72 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 46 + HA LYS 46 OK 100 100 - 100 - 3.0=100 HB2 LEU 45 + HA LYS 46 OK 62 100 - 62 - 974/2.9=9, 4.0/1608=9...(28) HD2 LYS 109 - HA LYS 46 OK 33 97 - 35 - 2932/3.0=3, 3.0/2926=3...(20) HD3 LYS 109 - HA LYS 46 OK 32 93 - 35 - 2932/3.0=3, 3.0/2926=3...(20) HG2 GLN 42 - HA LYS 46 OK 28 99 - 29 - 5.2/169=4, 2940=4...(12) HB2 ARG 53 - HA LYS 46 OK 15 97 - 16 - 3.0/6860=3, 3132/3.0=2 HG3 ARG 71 - HA LYS 46 OK 15 100 - 15 - 192/2.9=1, 2932/3.0=1 HG2 ARG 71 - HA LYS 46 OK 15 99 - 15 - 974/2.9=1, 2932/3.0=1 HG LEU 117 - HA LYS 46 poor 10 97 - 10 - ~7999=2 HG3 PRO 30 - HA LYS 46 lone 9 96 - 9 - 1.8/6860=2 HB3 ARG 71 - HA LYS 46 poor 8 76 - 10 - HB2 LEU 117 - HA LYS 46 lone 8 78 - 10 - ~7999=1 HB2 LEU 91 - HA LYS 46 lone 7 89 - 8 - HB2 GLU 75 - HA LYS 46 lone 6 73 - 8 - HB VAL 66 - HA LYS 46 lone 6 100 - 6 - HB2 LYS 31 - HA LYS 46 lone 5 65 - 8 - Peak 2923 from cnoeabs.peaks (1.33, 3.64, 60.95 ppm; 3.51 A): 3 out of 9 assignments used, quality = 1.00: * HG2 LYS 46 + HA LYS 46 OK 91 100 - 91 - 3.9=74, 2.9/2980=8...(27) HG3 LYS 46 + HA LYS 46 OK 91 100 - 91 - 3.9=74, 2.9/2980=8...(27) QB ALA 43 + HA LYS 46 OK 64 100 - 64 - 6814/2.9=9, 3.6/1603=8...(23) HG3 LYS 119 - HA LYS 46 OK 30 98 - 31 - 3.0/6860=4, 3.0/6860=4...(15) QG2 THR 17 - HA LYS 46 OK 22 100 - 22 - 6345/2.9=6, 6338/3.0=3...(5) QG2 THR 23 - HA LYS 46 lone 8 96 - 8 - 976/2.9=1 HB3 LEU 59 - HA LYS 46 lone 6 89 - 7 - HB3 LEU 84 - HA LYS 46 lone 5 85 - 6 - 4.0/1688=1 HG CYS 87 - HA LYS 46 lone 2 90 - 2 - Peak 2924 from cnoeabs.peaks (1.33, 3.64, 60.95 ppm; 3.51 A): 3 out of 9 assignments used, quality = 1.00: HG2 LYS 46 + HA LYS 46 OK 91 100 - 91 - 3.9=74, 2.9/2980=8...(27) * HG3 LYS 46 + HA LYS 46 OK 91 100 - 91 - 3.9=74, 2.9/2980=8...(27) QB ALA 43 + HA LYS 46 OK 64 100 - 64 - 6814/2.9=9, 3.6/1603=8...(23) HG3 LYS 119 - HA LYS 46 OK 30 98 - 31 - 3.0/6860=4, 3.0/6860=4...(15) QG2 THR 17 - HA LYS 46 OK 22 100 - 22 - 6345/2.9=6, 6338/3.0=3...(5) QG2 THR 23 - HA LYS 46 lone 8 96 - 8 - 976/2.9=1 HB3 LEU 59 - HA LYS 46 lone 6 89 - 7 - HB3 LEU 84 - HA LYS 46 lone 5 85 - 6 - 4.0/1688=1 HG CYS 87 - HA LYS 46 lone 2 90 - 2 - Peak 2925 from cnoeabs.peaks (1.46, 3.64, 60.95 ppm; 4.12 A): 5 out of 16 assignments used, quality = 0.99: * HD2 LYS 46 + HA LYS 46 OK 88 100 - 88 - 5.2=51, 1.8/2980=14...(28) HB3 LEU 45 + HA LYS 46 OK 67 99 - 68 - 4.0/1608=11, 193/2.9=8...(28) HD3 LYS 65 + HA LYS 46 OK 48 92 - 53 - 2.9/6859=8, 2.9/6859=8...(26) HD2 LYS 65 + HA LYS 46 OK 48 92 - 53 - 2.9/6859=8, 2.9/6859=8...(26) HG2 LYS 119 + HA LYS 46 OK 47 100 - 47 - 3.0/6860=6, 3.0/6860=6...(18) HB3 LEU 101 - HA LYS 46 OK 41 85 - 48 - 3.1/6859=10, 3.0/6860=8...(13) HG2 LYS 109 - HA LYS 46 OK 34 78 - 44 - 3.7/6861=5, 1.8/2926=4...(23) QB ALA 14 - HA LYS 46 OK 19 99 - 19 - 6306/3.9=3, 6306/3.9=3...(7) HG LEU 24 - HA LYS 46 OK 19 99 - 19 - ~196=3, 193/2.9=2...(6) HG3 LYS 31 - HA LYS 46 OK 12 100 - 11 - 3.0/6860=1, 3.0/6860=1 HB3 GLU 75 - HA LYS 46 lone 10 99 - 10 - HB3 LEU 58 - HA LYS 46 poor 8 60 - 13 - 3.1/6859=2, 3.1/6859=2, ~6858=1 HB2 LEU 93 - HA LYS 46 lone 7 99 - 7 - HG3 ARG 57 - HA LYS 46 lone 6 98 - 6 - 1.8/6860=1 HB3 LEU 91 - HA LYS 46 lone 5 60 - 8 - QB ALA 89 - HA LYS 46 lone 4 87 - 4 - Peak 2926 from cnoeabs.peaks (1.53, 3.64, 60.95 ppm; 4.67 A): 3 out of 9 assignments used, quality = 0.99: * HD3 LYS 46 + HA LYS 46 OK 96 100 - 96 - 5.2=74, 1.8/2970=15...(29) HB3 LYS 65 + HA LYS 46 OK 54 90 - 60 - 3.0/6859=9, 3.0/6859=9...(21) HB2 LYS 65 + HA LYS 46 OK 54 90 - 60 - 3.0/6859=9, 3.0/6859=9...(21) HG3 LYS 109 - HA LYS 46 OK 44 81 - 55 - 3.7/6861=6, 2936/3.0=5...(29) HB3 LEU 114 - HA LYS 46 OK 37 63 - 58 - ~7952=8, 7951/2.9=7...(25) HG12 ILE 124 - HA LYS 46 OK 29 73 - 39 - 1.8/8585=10, 4.9/6854=5...(15) HB2 LEU 24 - HA LYS 46 OK 18 78 - 23 - ~196=3, 2946/3.0=2...(12) HG2 ARG 92 - HA LYS 46 lone 6 87 - 7 - HG3 ARG 92 - HA LYS 46 lone 6 83 - 7 - Peak 2929 from cnoeabs.peaks (6.90, 2.00, 33.20 ppm; 3.40 A): 4 out of 8 assignments used, quality = 0.96: * H LYS 46 + HB2 LYS 46 OK 84 100 - 84 - 4.0=61, 2939/1.8=14...(22) HE22 GLN 103 + HB2 LYS 46 OK 40 100 - 40 - 2939/1.8=7, 763/4.7=5...(14) QE TYR 102 + HB2 LYS 46 OK 33 63 - 52 - 4759/2.9=6, 4759/2.9=6...(19) HZ3 TRP 20 + HB2 LYS 46 OK 30 100 - 30 - 2939/1.8=5, 2919/3.0=4...(11) HE22 GLN 103 - HB2 MET 11 OK 15 95 - 16 - 3.5/4743=3, 3.5/4751=3...(7) H LYS 46 - HB2 MET 11 OK 11 95 - 11 - 2.9/2930=2, 973=2...(4) QE TYR 102 - HB2 MET 11 lone 2 55 - 4 - HZ3 TRP 20 - HB2 MET 11 lone 2 94 - 2 - Peak 2930 from cnoeabs.peaks (3.64, 2.00, 33.20 ppm; 3.64 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 3.0=100 HA LEU 41 + HB2 LYS 46 OK 49 99 - 50 - 2940/1.8=6, 2779=6...(22) HA VAL 115 - HB2 LYS 46 OK 27 83 - 33 - 3.2/8168=4, 2940/1.8=3...(15) HA ILE 80 - HB2 LYS 46 OK 24 100 - 24 - 2940/1.8=3, 972/4.0=3...(13) HA LYS 46 - HB2 MET 11 OK 20 95 - 21 - 2921=3, 3.0/2932=2...(10) HD2 PRO 70 - HB2 LYS 46 poor 8 68 - 12 - 198/4.4=2, 2940/1.8=1 HA LEU 41 - HB2 MET 11 lone 5 93 - 6 - HD2 PRO 70 - HB2 MET 11 lone 4 60 - 7 - ~8319=1 HA LEU 111 - HB2 LYS 46 lone 4 57 - 7 - HA ILE 80 - HB2 MET 11 lone 4 95 - 4 - HA VAL 115 - HB2 MET 11 lone 2 74 - 3 - HA LEU 111 - HB2 MET 11 lone 1 50 - 1 - Peak 2931 from cnoeabs.peaks (2.00, 2.00, 33.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 46 + HB2 LYS 46 OK 100 100 - 100 HB2 MET 11 + HB2 MET 11 OK 88 88 - 100 Peak 2932 from cnoeabs.peaks (1.75, 2.00, 33.20 ppm; 2.90 A): 1 out of 32 assignments used, quality = 1.00: * HB3 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 1.8=100 HB2 LEU 45 - HB2 LYS 46 OK 38 100 - 38 - 4.3/2929=5, 4.0/6855=3...(18) HD2 LYS 109 - HB2 LYS 46 OK 30 97 - 31 - 3.0/2936=2, 2982/3.5=2...(11) HD3 LYS 109 - HB2 LYS 46 OK 29 93 - 31 - 3.0/2936=2, 4935/3.5=2...(12) HG2 GLN 42 - HB2 LYS 46 OK 21 99 - 21 - 3.5/6795=3, 2941=2...(7) HB3 LYS 46 - HB2 MET 11 OK 17 95 - 18 - 2941=2, ~1852=2, ~1849=1...(5) HB2 ARG 53 - HB2 LYS 46 OK 13 97 - 13 - 3132=1 HG3 ARG 71 - HB2 LYS 46 OK 11 100 - 11 - HG2 ARG 71 - HB2 LYS 46 OK 11 99 - 11 - HB3 ARG 71 - HB2 LYS 46 lone 6 76 - 8 - HG3 PRO 30 - HB2 LYS 46 lone 5 96 - 6 - HG LEU 117 - HB2 LYS 46 lone 5 97 - 6 - HB2 LEU 91 - HB2 LYS 46 lone 4 89 - 5 - HB2 GLU 75 - HB2 LYS 46 lone 4 73 - 6 - HB VAL 66 - HB2 LYS 46 lone 4 100 - 4 - HB2 LEU 117 - HB2 LYS 46 lone 4 78 - 5 - HB2 LYS 31 - HB2 LYS 46 lone 4 65 - 6 - HB2 LEU 45 - HB2 MET 11 lone 3 95 - 3 - HB VAL 66 - HB2 MET 11 lone 2 94 - 2 - HG LEU 117 - HB2 MET 11 lone 1 89 - 1 - HD2 LYS 109 - HB2 MET 11 lone 1 89 - 1 - HD3 LYS 109 - HB2 MET 11 lone 1 85 - 1 - HG3 ARG 71 - HB2 MET 11 lone 1 94 - 1 - HG2 GLN 42 - HB2 MET 11 lone 1 92 - 1 - HG2 ARG 71 - HB2 MET 11 lone 1 92 - 1 - HB2 LEU 117 - HB2 MET 11 lone 1 70 - 1 - HB3 ARG 71 - HB2 MET 11 lone 1 67 - 1 - HG3 PRO 30 - HB2 MET 11 lone 1 88 - 1 - HB2 ARG 53 - HB2 MET 11 lone 0 90 - 1 - HB2 GLU 75 - HB2 MET 11 lone 0 65 - 1 - HB2 LEU 91 - HB2 MET 11 lone 0 80 - 0 - HB2 LYS 31 - HB2 MET 11 lone 0 58 - 0 - Peak 2933 from cnoeabs.peaks (1.33, 2.00, 33.20 ppm; 3.48 A): 3 out of 18 assignments used, quality = 1.00: HG3 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 2.9=100 * HG2 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 + HB2 LYS 46 OK 63 100 - 64 - 2.1/6805=9, 6814/4.0=7...(25) HG3 LYS 119 - HB2 LYS 46 OK 37 98 - 38 - 1.8/2935=3, 2943/1.8=3...(18) QG2 THR 17 - HB2 LYS 46 OK 22 100 - 22 - 6345/4.0=5, 6338=4...(8) HG3 LYS 46 - HB2 MET 11 OK 19 95 - 20 - 2.9/2932=2, 3.9/2930=2...(8) HG2 LYS 46 - HB2 MET 11 OK 19 95 - 20 - 2.9/2932=2, 3.9/2930=2...(8) QG2 THR 23 - HB2 LYS 46 OK 12 96 - 13 - 3.2/6864=2 HB3 LEU 59 - HB2 LYS 46 OK 11 89 - 12 - 3.7/8596=1 HB3 LEU 84 - HB2 LYS 46 lone 6 85 - 7 - QG2 THR 17 - HB2 MET 11 lone 4 95 - 5 - 6346/4.1=2 QB ALA 43 - HB2 MET 11 lone 4 94 - 5 - HG CYS 87 - HB2 LYS 46 lone 4 90 - 4 - HG3 LYS 119 - HB2 MET 11 lone 3 91 - 3 - HB3 LEU 59 - HB2 MET 11 lone 3 80 - 4 - HB3 LEU 84 - HB2 MET 11 lone 2 76 - 3 - QG2 THR 23 - HB2 MET 11 lone 1 88 - 1 - HG CYS 87 - HB2 MET 11 lone 0 82 - 1 - Peak 2934 from cnoeabs.peaks (1.33, 2.00, 33.20 ppm; 3.48 A): 3 out of 18 assignments used, quality = 1.00: * HG3 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 2.9=100 HG2 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 + HB2 LYS 46 OK 63 100 - 64 - 2.1/6805=9, 6814/4.0=7...(25) HG3 LYS 119 - HB2 LYS 46 OK 37 98 - 38 - 1.8/2935=3, 2943/1.8=3...(18) QG2 THR 17 - HB2 LYS 46 OK 22 100 - 22 - 6345/4.0=5, 6338=4...(8) HG3 LYS 46 - HB2 MET 11 OK 19 95 - 20 - 2.9/2932=2, 3.9/2930=2...(8) HG2 LYS 46 - HB2 MET 11 OK 19 95 - 20 - 2.9/2932=2, 3.9/2930=2...(8) QG2 THR 23 - HB2 LYS 46 OK 12 96 - 13 - 3.2/6864=2 HB3 LEU 59 - HB2 LYS 46 OK 11 89 - 12 - 3.7/8596=1 HB3 LEU 84 - HB2 LYS 46 lone 6 85 - 7 - QG2 THR 17 - HB2 MET 11 lone 4 95 - 5 - 6346/4.1=2 QB ALA 43 - HB2 MET 11 lone 4 94 - 5 - HG CYS 87 - HB2 LYS 46 lone 4 90 - 4 - HG3 LYS 119 - HB2 MET 11 lone 3 91 - 3 - HB3 LEU 59 - HB2 MET 11 lone 3 80 - 4 - HB3 LEU 84 - HB2 MET 11 lone 2 76 - 3 - QG2 THR 23 - HB2 MET 11 lone 1 88 - 1 - HG CYS 87 - HB2 MET 11 lone 0 82 - 1 - Peak 2935 from cnoeabs.peaks (1.46, 2.00, 33.20 ppm; 3.75 A): 5 out of 32 assignments used, quality = 1.00: * HD2 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 3.5=100 HB3 LEU 45 + HB2 LYS 46 OK 57 99 - 58 - 4.3/2929=9, 4.0/6855=6...(31) HD3 LYS 65 + HB2 LYS 46 OK 53 92 - 58 - 2985/3.5=4, 2.9/6868=3...(36) HD2 LYS 65 + HB2 LYS 46 OK 53 92 - 58 - 2985/3.5=4, 2.9/6868=3...(36) HG2 LYS 119 + HB2 LYS 46 OK 50 100 - 50 - 5225/2.9=5, 5225/2.9=5...(27) HG2 LYS 109 - HB2 LYS 46 OK 42 78 - 54 - 1.8/2936=4, 2.9/1847=4...(30) HB3 LEU 101 - HB2 LYS 46 OK 29 85 - 34 - 3.1/6868=3, ~6859=3...(14) HG LEU 24 - HB2 LYS 46 OK 24 99 - 24 - 2217/3.5=2, ~8206=2...(12) HD2 LYS 46 - HB2 MET 11 OK 21 95 - 22 - 2971=2, 1.8/2936=2...(12) QB ALA 14 - HB2 LYS 46 OK 21 99 - 21 - 6306/2.9=4, 6306/2.9=4...(8) HB3 GLU 75 - HB2 LYS 46 OK 11 99 - 11 - 3962/1.8=1 HG3 LYS 31 - HB2 LYS 46 OK 11 100 - 11 - HB3 LEU 58 - HB2 LYS 46 poor 7 60 - 11 - 3.1/6868=1, 3.1/6868=1...(4) HB2 LEU 93 - HB2 LYS 46 lone 6 99 - 6 - HG3 ARG 57 - HB2 LYS 46 lone 6 98 - 6 - HB3 LEU 45 - HB2 MET 11 lone 5 92 - 5 - 4.3/2929=1 HB3 LEU 91 - HB2 LYS 46 lone 5 60 - 8 - HB2 LEU 93 - HB2 MET 11 lone 4 93 - 5 - HG2 LYS 119 - HB2 MET 11 lone 4 95 - 4 - 5917/4.2=1 HB3 LEU 58 - HB2 MET 11 lone 4 53 - 8 - QB ALA 89 - HB2 LYS 46 lone 3 87 - 4 - HG2 LYS 109 - HB2 MET 11 lone 2 70 - 3 - HB3 LEU 101 - HB2 MET 11 lone 2 76 - 3 - QB ALA 14 - HB2 MET 11 lone 2 93 - 2 - HD3 LYS 65 - HB2 MET 11 lone 2 84 - 2 - HD2 LYS 65 - HB2 MET 11 lone 2 84 - 2 - HG LEU 24 - HB2 MET 11 lone 2 92 - 2 - HB3 GLU 75 - HB2 MET 11 lone 1 92 - 1 - HG3 LYS 31 - HB2 MET 11 lone 1 94 - 1 - HG3 ARG 57 - HB2 MET 11 lone 1 91 - 1 - QB ALA 89 - HB2 MET 11 lone 1 78 - 1 - HB3 LEU 91 - HB2 MET 11 lone 0 53 - 1 - Peak 2936 from cnoeabs.peaks (1.53, 2.00, 33.20 ppm; 3.96 A): 4 out of 18 assignments used, quality = 1.00: * HD3 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 3.5=100 HB2 LYS 65 + HB2 LYS 46 OK 49 90 - 54 - 2946/1.8=5, 2976/3.5=4...(29) HB3 LYS 65 + HB2 LYS 46 OK 49 90 - 54 - 2946/1.8=5, 2976/3.5=4...(29) HG3 LYS 109 + HB2 LYS 46 OK 48 81 - 59 - 2946/1.8=5, 2976/3.5=4...(34) HB3 LEU 114 - HB2 LYS 46 OK 31 63 - 49 - 7951/4.0=4, 7943/2.9=4...(22) HG12 ILE 124 - HB2 LYS 46 OK 27 73 - 37 - ~8585=4, 4.9/6855=4...(15) HD3 LYS 46 - HB2 MET 11 OK 23 95 - 24 - 2981=3, 1.8/2971=2...(13) HB2 LEU 24 - HB2 LYS 46 OK 23 78 - 29 - 2976/3.5=3, 2946/1.8=2...(15) HG2 ARG 92 - HB2 LYS 46 lone 6 87 - 6 - HG3 ARG 92 - HB2 LYS 46 lone 5 83 - 6 - HG12 ILE 124 - HB2 MET 11 lone 3 65 - 5 - HB3 LEU 114 - HB2 MET 11 lone 3 55 - 5 - HG3 LYS 109 - HB2 MET 11 lone 3 72 - 4 - HB2 LYS 65 - HB2 MET 11 lone 2 82 - 3 - HB3 LYS 65 - HB2 MET 11 lone 2 82 - 3 - HB2 LEU 24 - HB2 MET 11 lone 1 70 - 2 - HG2 ARG 92 - HB2 MET 11 lone 1 78 - 1 - HG3 ARG 92 - HB2 MET 11 lone 1 74 - 1 - Peak 2937 from cnoeabs.peaks (2.65, 2.00, 33.20 ppm; 5.38 A): 3 out of 6 assignments used, quality = 1.00: * HE2 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 4.7=100 HG2 GLN 103 + HB2 LYS 46 OK 83 96 - 87 - 2987/3.5=17, 2977/3.5=17...(27) HG2 GLN 103 + HB2 MET 11 OK 58 88 - 67 - 4742/3.0=9, ~1854=8...(19) HE2 LYS 46 - HB2 MET 11 OK 22 95 - 23 - 1.8/2938=3, 3.0/2936=3...(8) HB3 ASP 123 - HB2 LYS 46 OK 22 99 - 22 - 4.2/6855=8, 2947/1.8=4...(7) HB3 ASP 123 - HB2 MET 11 lone 3 92 - 3 - 4.2/6855=1 Peak 2938 from cnoeabs.peaks (2.54, 2.00, 33.20 ppm; 4.97 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 46 + HB2 LYS 46 OK 100 100 - 100 - 4.7=100 HG3 GLN 103 + HB2 LYS 46 OK 68 83 - 82 - 2988/3.5=11, 2978/3.5=11...(26) HE2 LYS 65 + HB2 LYS 46 OK 50 73 - 68 - 2978/3.5=7, 2988/3.5=7...(26) HG3 GLN 103 + HB2 MET 11 OK 46 74 - 62 - 4750/3.0=8, 1.8/2937=7...(19) HE3 LYS 46 - HB2 MET 11 OK 19 95 - 21 - 1.8/2937=3, 3.0/2936=3...(8) HB3 ASP 36 - HB2 LYS 46 OK 14 97 - 14 - 2978/3.5=2, 4.8/8272=2...(4) HG2 GLU 82 - HB2 LYS 46 lone 7 81 - 9 - 2988/3.5=1 HG2 GLU 82 - HB2 MET 11 lone 3 72 - 4 - HE2 LYS 65 - HB2 MET 11 lone 2 65 - 4 - HB3 ASP 36 - HB2 MET 11 lone 2 90 - 2 - Peak 2939 from cnoeabs.peaks (6.90, 1.75, 33.20 ppm; 3.44 A): 3 out of 8 assignments used, quality = 0.94: * H LYS 46 + HB3 LYS 46 OK 85 100 - 85 - 4.0=63, 2929/1.8=14...(21) HE22 GLN 103 + HB3 LYS 46 OK 39 100 - 39 - 2929/1.8=7, 763/4.7=5...(13) QE TYR 102 + HB3 LYS 46 OK 33 63 - 53 - 4759/2.9=6, 4759/2.9=6...(19) HZ3 TRP 20 - HB3 LYS 46 OK 30 100 - 30 - 2929/1.8=5, 2919/3.0=4...(10) H LYS 46 - HG2 GLN 42 OK 13 72 - 18 - 192=3, 2.9/2922=2...(6) HZ3 TRP 20 - HG2 GLN 42 lone 3 71 - 5 - QE TYR 102 - HG2 GLN 42 lone 2 38 - 5 - HE22 GLN 103 - HG2 GLN 42 lone 2 72 - 3 - Peak 2940 from cnoeabs.peaks (3.64, 1.75, 33.20 ppm; 3.70 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 3.0=100 HA LEU 41 + HB3 LYS 46 OK 45 99 - 46 - 2930/1.8=7, 972/4.0=4...(18) HA LEU 41 - HG2 GLN 42 OK 30 70 - 43 - 3.6/953=6, 2780/3.0=5...(19) HA VAL 115 - HB3 LYS 46 OK 27 83 - 32 - 2930/1.8=4, 2980/3.5=3...(15) HA ILE 80 - HB3 LYS 46 OK 24 100 - 24 - 2930/1.8=4, 972/4.0=3...(12) HA LYS 46 - HG2 GLN 42 OK 20 72 - 28 - 2922=4, 169/5.2=4...(11) HD2 PRO 70 - HB3 LYS 46 poor 8 68 - 11 - 198/4.4=2, 2930/1.8=1 HA ILE 80 - HG2 GLN 42 lone 6 72 - 8 - 6129/3.9=2, 169/5.2=2 HA VAL 115 - HG2 GLN 42 lone 4 52 - 8 - 5102/3.0=1 HA LEU 111 - HB3 LYS 46 lone 4 57 - 7 - HA LEU 111 - HG2 GLN 42 poor 4 34 - 11 - 3.6/2843=2, 1591/5.2=2...(4) HD2 PRO 70 - HG2 GLN 42 lone 2 41 - 6 - 7262/3.0=1 Peak 2941 from cnoeabs.peaks (2.00, 1.75, 33.20 ppm; 2.91 A): 1 out of 28 assignments used, quality = 1.00: * HB2 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 1.8=100 HB3 GLN 103 - HB3 LYS 46 OK 35 92 - 38 - 4736/4.7=4, 3.0/2947=3...(22) HB2 LEU 41 - HB3 LYS 46 OK 29 92 - 32 - 2785/3.0=3, 3.0/2940=3...(15) HG LEU 45 - HB3 LYS 46 OK 22 68 - 33 - 2.1/2914=3, 3.0/2893=3...(16) HG LEU 114 - HB3 LYS 46 OK 21 87 - 24 - ~7959=2, ~5088=2...(12) HB2 LEU 41 - HG2 GLN 42 OK 21 60 - 34 - 4.2/953=3, 2787/3.0=3...(16) HB ILE 124 - HB3 LYS 46 OK 17 92 - 19 - 4.0/6856=2, 2921/3.0=1...(7) HB3 PRO 68 - HB3 LYS 46 OK 17 92 - 19 - 3.0/6865=2, 3.0/6865=2, ~6864=1 HB2 MET 11 - HB3 LYS 46 OK 17 96 - 18 - 2932=3, ~1852=2, ~1849=1...(5) HG2 PRO 68 - HB3 LYS 46 OK 17 87 - 19 - 2.3/6865=2, 2.3/6865=2, ~6864=2 HB2 LYS 46 - HG2 GLN 42 OK 15 72 - 22 - 2932=3, 6795/3.5=3...(7) HB2 LEU 55 - HB3 LYS 46 lone 10 100 - 10 - HB3 ARG 53 - HB3 LYS 46 poor 9 71 - 13 - 3139=1 HB2 ARG 71 - HB3 LYS 46 lone 5 73 - 7 - HG LEU 45 - HG2 GLN 42 poor 5 41 - 12 - 2.1/2914=2, 8269/3.0=2...(4) HB2 ARG 71 - HG2 GLN 42 lone 4 45 - 9 - 3852/3.9=1, 3.6/3883=1 HG2 PRO 60 - HB3 LYS 46 lone 4 100 - 4 - HB3 ARG 53 - HG2 GLN 42 lone 3 43 - 6 - HB3 GLN 103 - HG2 GLN 42 lone 2 60 - 4 - HB2 GLU 94 - HB3 LYS 46 lone 2 100 - 2 - HB2 LEU 55 - HG2 GLN 42 lone 2 71 - 3 - HB ILE 124 - HG2 GLN 42 lone 1 60 - 2 - HB3 PRO 68 - HG2 GLN 42 lone 1 60 - 2 - HG2 PRO 68 - HG2 GLN 42 lone 1 56 - 2 - HG LEU 114 - HG2 GLN 42 lone 1 56 - 2 - HB2 MET 11 - HG2 GLN 42 lone 1 64 - 1 - HG2 PRO 60 - HG2 GLN 42 lone 1 70 - 1 - HB2 GLU 94 - HG2 GLN 42 lone 1 72 - 1 - Peak 2942 from cnoeabs.peaks (1.75, 1.75, 33.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 46 + HB3 LYS 46 OK 100 100 - 100 HG2 GLN 42 + HG2 GLN 42 OK 68 68 - 100 Peak 2943 from cnoeabs.peaks (1.33, 1.75, 33.20 ppm; 3.39 A): 3 out of 18 assignments used, quality = 1.00: HG3 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 2.9=100 * HG2 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 + HB3 LYS 46 OK 61 100 - 61 - 6814/4.0=7, 2.1/6804=7...(24) QB ALA 43 - HG2 GLN 42 OK 36 70 - 52 - ~180=9, 6817/5.2=7...(15) HG3 LYS 119 - HB3 LYS 46 OK 34 98 - 35 - 2934/1.8=3, 1.8/2945=3...(16) HG3 LYS 46 - HG2 GLN 42 OK 21 72 - 30 - 6793/3.5=4, 6790/3.5=4...(12) HG2 LYS 46 - HG2 GLN 42 OK 21 72 - 30 - 6793/3.5=4, 6790/3.5=4...(12) QG2 THR 17 - HB3 LYS 46 OK 20 100 - 19 - 6345/4.0=5, 6338/1.8=4...(7) QG2 THR 23 - HB3 LYS 46 OK 12 96 - 12 - 3.2/6865=1, ~6864=1, 2933/1.8=1 QG2 THR 17 - HG2 GLN 42 poor 9 72 - 13 - 8462/3.9=3, 6335/3.0=2...(6) HB3 LEU 59 - HB3 LYS 46 lone 8 89 - 9 - HB3 LEU 84 - HB3 LYS 46 lone 5 85 - 6 - HG CYS 87 - HB3 LYS 46 lone 4 90 - 4 - HB3 LEU 59 - HG2 GLN 42 lone 3 57 - 4 - HG3 LYS 119 - HG2 GLN 42 lone 2 68 - 3 - QG2 THR 23 - HG2 GLN 42 lone 2 64 - 2 - HB3 LEU 84 - HG2 GLN 42 lone 1 54 - 1 - HG CYS 87 - HG2 GLN 42 lone 1 59 - 1 - Peak 2944 from cnoeabs.peaks (1.33, 1.75, 33.20 ppm; 3.39 A): 3 out of 18 assignments used, quality = 1.00: * HG3 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 2.9=100 HG2 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 + HB3 LYS 46 OK 61 100 - 61 - 6814/4.0=7, 2.1/6804=7...(24) QB ALA 43 - HG2 GLN 42 OK 36 70 - 52 - ~180=9, 6817/5.2=7...(15) HG3 LYS 119 - HB3 LYS 46 OK 34 98 - 35 - 2934/1.8=3, 1.8/2945=3...(16) HG3 LYS 46 - HG2 GLN 42 OK 21 72 - 30 - 6793/3.5=4, 6790/3.5=4...(12) HG2 LYS 46 - HG2 GLN 42 OK 21 72 - 30 - 6793/3.5=4, 6790/3.5=4...(12) QG2 THR 17 - HB3 LYS 46 OK 20 100 - 19 - 6345/4.0=5, 6338/1.8=4...(7) QG2 THR 23 - HB3 LYS 46 OK 12 96 - 12 - 3.2/6865=1, ~6864=1, 2933/1.8=1 QG2 THR 17 - HG2 GLN 42 poor 9 72 - 13 - 8462/3.9=3, 6335/3.0=2...(6) HB3 LEU 59 - HB3 LYS 46 lone 8 89 - 9 - HB3 LEU 84 - HB3 LYS 46 lone 5 85 - 6 - HG CYS 87 - HB3 LYS 46 lone 4 90 - 4 - HB3 LEU 59 - HG2 GLN 42 lone 3 57 - 4 - HG3 LYS 119 - HG2 GLN 42 lone 2 68 - 3 - QG2 THR 23 - HG2 GLN 42 lone 2 64 - 2 - HB3 LEU 84 - HG2 GLN 42 lone 1 54 - 1 - HG CYS 87 - HG2 GLN 42 lone 1 59 - 1 - Peak 2945 from cnoeabs.peaks (1.46, 1.75, 33.20 ppm; 3.69 A): 5 out of 32 assignments used, quality = 1.00: * HD2 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 3.5=100 HB3 LEU 45 + HB3 LYS 46 OK 59 99 - 60 - 4.3/2939=9, 2893=7...(30) HD3 LYS 65 + HB3 LYS 46 OK 51 92 - 56 - 2935/1.8=4, 2985/3.5=3...(33) HD2 LYS 65 + HB3 LYS 46 OK 51 92 - 56 - 2935/1.8=4, 2985/3.5=3...(33) HG2 LYS 119 + HB3 LYS 46 OK 50 100 - 50 - 5225/2.9=5, 5225/2.9=5...(29) HG2 LYS 109 - HB3 LYS 46 OK 38 78 - 49 - 1.8/4926=5, 2.9/4896=4...(27) HB3 LEU 101 - HB3 LYS 46 OK 29 85 - 34 - 3.1/7705=3, ~6859=3...(14) HD2 LYS 46 - HG2 GLN 42 OK 28 72 - 39 - 8624/3.5=16, 6791/3.5=5...(13) HG LEU 24 - HB3 LYS 46 OK 23 99 - 24 - 2217/3.5=2, ~8206=2...(10) QB ALA 14 - HB3 LYS 46 OK 20 99 - 20 - 6306/2.9=4, 6306/2.9=4...(7) HB3 LEU 45 - HG2 GLN 42 OK 18 68 - 27 - 2893=3, 6033/3.9=3...(15) HB3 LEU 101 - HG2 GLN 42 OK 16 54 - 29 - ~6801=4, 3.1/7705=4...(13) HG3 LYS 31 - HB3 LYS 46 OK 12 100 - 12 - HB3 GLU 75 - HB3 LYS 46 OK 12 99 - 12 - HB3 GLU 75 - HG2 GLN 42 poor 8 68 - 11 - 6033/3.9=1, 3962=1, ~6013=1 QB ALA 14 - HG2 GLN 42 poor 7 69 - 10 - 6304/3.0=2, 6791/3.5=1, ~6297=1 HG2 LYS 109 - HG2 GLN 42 poor 7 49 - 14 - 6794/3.5=2, 4.7/1328=2...(7) HB2 LEU 93 - HB3 LYS 46 lone 6 99 - 6 - HB3 LEU 91 - HB3 LYS 46 lone 6 60 - 10 - HG3 ARG 57 - HB3 LYS 46 lone 6 98 - 6 - HB3 LEU 58 - HB3 LYS 46 lone 5 60 - 9 - 3.1/7061=2 HD2 LYS 65 - HG2 GLN 42 lone 5 60 - 8 - HD3 LYS 65 - HG2 GLN 42 lone 5 60 - 8 - QB ALA 89 - HB3 LYS 46 lone 3 87 - 4 - HG3 LYS 31 - HG2 GLN 42 lone 3 70 - 4 - HG2 LYS 119 - HG2 GLN 42 lone 3 71 - 4 - HB3 LEU 58 - HG2 GLN 42 lone 2 36 - 7 - 3.1/7061=1, ~6801=1 HG LEU 24 - HG2 GLN 42 lone 2 68 - 3 - HB2 LEU 93 - HG2 GLN 42 lone 2 69 - 3 - HG3 ARG 57 - HG2 GLN 42 lone 2 68 - 3 - HB3 LEU 91 - HG2 GLN 42 lone 1 36 - 3 - QB ALA 89 - HG2 GLN 42 lone 1 56 - 2 - Peak 2946 from cnoeabs.peaks (1.53, 1.75, 33.20 ppm; 3.80 A): 3 out of 18 assignments used, quality = 1.00: * HD3 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 3.5=100 HB2 LYS 65 + HB3 LYS 46 OK 45 90 - 50 - 2936/1.8=5, 2976/3.5=4...(30) HB3 LYS 65 + HB3 LYS 46 OK 45 90 - 50 - 2936/1.8=5, 2976/3.5=4...(30) HG3 LYS 109 - HB3 LYS 46 OK 43 81 - 54 - 4926=4, 2936/1.8=4...(28) HB3 LEU 114 - HB3 LYS 46 OK 26 63 - 42 - 7951/4.0=4, 7943/2.9=4...(19) HD3 LYS 46 - HG2 GLN 42 OK 25 72 - 35 - 8625/3.5=15, 2982=4...(11) HG12 ILE 124 - HB3 LYS 46 OK 22 73 - 30 - ~8585=4, 4.9/6856=3...(11) HB2 LEU 24 - HB3 LYS 46 OK 21 78 - 27 - 2976/3.5=2, 2936/1.8=2...(15) HG3 LYS 109 - HG2 GLN 42 poor 7 51 - 14 - 4.7/1328=2, 5871/3.5=2...(7) HG2 ARG 92 - HB3 LYS 46 lone 6 87 - 6 - HG3 ARG 92 - HB3 LYS 46 lone 5 83 - 6 - HB3 LYS 65 - HG2 GLN 42 lone 3 59 - 6 - HB2 LYS 65 - HG2 GLN 42 lone 3 59 - 6 - HG12 ILE 124 - HG2 GLN 42 lone 1 45 - 2 - HB2 LEU 24 - HG2 GLN 42 lone 1 49 - 2 - HB3 LEU 114 - HG2 GLN 42 lone 1 38 - 2 - HG2 ARG 92 - HG2 GLN 42 lone 1 56 - 1 - HG3 ARG 92 - HG2 GLN 42 lone 1 52 - 1 - Peak 2947 from cnoeabs.peaks (2.65, 1.75, 33.20 ppm; 4.96 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 4.7=100 HG2 GLN 103 + HB3 LYS 46 OK 77 96 - 80 - 2987/3.5=15, 2977/3.5=15...(24) HB3 ASP 123 - HB3 LYS 46 OK 17 99 - 17 - 4.2/6856=5, 2937/1.8=3...(6) HE2 LYS 46 - HG2 GLN 42 OK 16 72 - 23 - 3.0/2972=4, 3.0/2982=4...(8) HB3 ASP 123 - HG2 GLN 42 lone 4 68 - 5 - 8716/3.0=1, 4.2/6856=1 HG2 GLN 103 - HG2 GLN 42 lone 3 64 - 5 - Peak 2948 from cnoeabs.peaks (2.54, 1.75, 33.20 ppm; 5.25 A): 3 out of 10 assignments used, quality = 1.00: * HE3 LYS 46 + HB3 LYS 46 OK 100 100 - 100 - 4.7=100 HG3 GLN 103 + HB3 LYS 46 OK 69 83 - 83 - 1.8/2947=15, 2988/3.5=12...(23) HE2 LYS 65 + HB3 LYS 46 OK 51 73 - 69 - 2978/3.5=8, 2988/3.5=8...(28) HE3 LYS 46 - HG2 GLN 42 OK 20 72 - 28 - 3.0/2972=4, 3.0/2982=4...(10) HB3 ASP 36 - HB3 LYS 46 OK 14 97 - 14 - 2978/3.5=2, 4.8/8271=2...(5) HG2 GLU 82 - HB3 LYS 46 lone 7 81 - 8 - 2988/3.5=1, 2938/1.8=1 HE2 LYS 65 - HG2 GLN 42 poor 5 45 - 10 - 8653/3.5=1, 4696/4698=1 HG3 GLN 103 - HG2 GLN 42 lone 4 52 - 7 - HG2 GLU 82 - HG2 GLN 42 lone 2 51 - 4 - HB3 ASP 36 - HG2 GLN 42 lone 2 67 - 2 - Peak 2949 from cnoeabs.peaks (6.90, 1.33, 24.73 ppm; 4.15 A): 8 out of 12 assignments used, quality = 1.00: * H LYS 46 + HG2 LYS 46 OK 90 100 - 90 - 5.1=52, 2939/2.9=15...(25) H LYS 46 + HG3 LYS 46 OK 90 100 - 90 - 5.1=52, 2939/2.9=15...(25) HE22 GLN 103 + HG2 LYS 46 OK 51 100 - 51 - 763/3.9=10, 764/3.9=8...(13) HE22 GLN 103 + HG3 LYS 46 OK 51 100 - 51 - 763/3.9=10, 764/3.9=8...(13) HZ3 TRP 20 + HG2 LYS 46 OK 50 100 - 50 - 4643=8, 4643/1.8=7...(15) HZ3 TRP 20 + HG3 LYS 46 OK 50 100 - 50 - 4643=8, 4643/1.8=7...(15) QE TYR 102 + HG3 LYS 46 OK 48 63 - 76 - 2.2/4820=16, 4759=12...(20) QE TYR 102 + HG2 LYS 46 OK 48 63 - 76 - 2.2/4820=16, 4759=12...(20) H LYS 46 - HG3 LYS 119 OK 23 90 - 26 - 2.9/2924=3, 975=3...(10) QE TYR 102 - HG3 LYS 119 poor 6 51 - 12 - 2.2/4820=2, 5.7/7737=2...(5) HZ3 TRP 20 - HG3 LYS 119 lone 5 89 - 6 - 4643=1 HE22 GLN 103 - HG3 LYS 119 lone 3 90 - 4 - Peak 2950 from cnoeabs.peaks (3.64, 1.33, 24.73 ppm; 3.86 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 46 + HG2 LYS 46 OK 99 100 - 99 - 3.9=97, 2924/1.8=12...(28) HA LYS 46 + HG3 LYS 46 OK 99 100 - 99 - 3.9=97, 2924/1.8=12...(28) HA LEU 41 - HG2 LYS 46 OK 43 99 - 43 - 2930/2.9=6, 2940/2.9=5...(17) HA LEU 41 - HG3 LYS 46 OK 43 99 - 43 - 2930/2.9=6, 2940/2.9=5...(17) HA VAL 115 - HG2 LYS 46 OK 34 83 - 41 - 3.2/7977=4, 3.2/7964=4...(19) HA VAL 115 - HG3 LYS 46 OK 34 83 - 41 - 3.2/7977=4, 3.2/7964=4...(19) HA LYS 46 - HG3 LYS 119 OK 33 90 - 37 - 6860/3.0=5, 6860/3.0=5...(17) HA VAL 115 - HG3 LYS 119 OK 24 69 - 35 - 3.2/7964=6, 6248/4.9=5...(13) HA ILE 80 - HG3 LYS 46 OK 21 100 - 21 - 2930/2.9=3, 2940/2.9=3...(8) HA ILE 80 - HG2 LYS 46 OK 21 100 - 21 - 2930/2.9=3, 2940/2.9=3...(8) HA ILE 80 - HG3 LYS 119 OK 17 90 - 18 - 7427/3.9=3, 7427/3.9=3...(6) HD2 PRO 70 - HG2 LYS 46 poor 7 68 - 11 - 198/4.9=2, 2930/2.9=1 HD2 PRO 70 - HG3 LYS 46 poor 7 68 - 11 - 198/4.9=2, 2930/2.9=1 HA LEU 111 - HG3 LYS 46 lone 5 57 - 9 - 4.0/8166=1 HA LEU 111 - HG2 LYS 46 lone 5 57 - 9 - 4.0/8166=1 HA LEU 41 - HG3 LYS 119 lone 4 88 - 5 - HA LEU 111 - HG3 LYS 119 lone 4 46 - 9 - 1791/4.9=3, 4.0/8166=2 HD2 PRO 70 - HG3 LYS 119 lone 3 56 - 5 - 1791/4.9=2 Peak 2951 from cnoeabs.peaks (2.00, 1.33, 24.73 ppm; 3.80 A): 4 out of 42 assignments used, quality = 1.00: * HB2 LYS 46 + HG2 LYS 46 OK 100 100 - 100 - 2.9=100 HB2 LYS 46 + HG3 LYS 46 OK 100 100 - 100 - 2.9=100 HB3 GLN 103 + HG3 LYS 46 OK 57 92 - 62 - 4736/3.9=8, 4737/3.9=7...(27) HB3 GLN 103 + HG2 LYS 46 OK 57 92 - 62 - 4736/3.9=8, 4737/3.9=7...(27) HG LEU 114 - HG2 LYS 46 OK 42 87 - 49 - 2.1/7959=7, 3.0/7943=6...(20) HG LEU 114 - HG3 LYS 46 OK 42 87 - 49 - 2.1/7959=7, 3.0/7943=6...(20) HB2 LEU 41 - HG2 LYS 46 OK 41 92 - 45 - 2785/3.9=4, 3.1/8265=4...(27) HB2 LEU 41 - HG3 LYS 46 OK 41 92 - 45 - 2785/3.9=4, 3.1/8265=4...(27) HB2 LYS 46 - HG3 LYS 119 OK 41 90 - 45 - 2934=4, 2935/1.8=4...(23) HG LEU 45 - HG3 LYS 46 OK 32 68 - 47 - 2.1/8283=5, ~8283=4...(30) HG LEU 45 - HG2 LYS 46 OK 32 68 - 47 - 2.1/8283=5, ~8283=4...(30) HB3 PRO 68 - HG3 LYS 46 OK 28 92 - 31 - 2.3/8298=2, 2981/2.9=2...(17) HB3 PRO 68 - HG2 LYS 46 OK 28 92 - 31 - 2.3/8298=2, 2981/2.9=2...(17) HG2 PRO 68 - HG2 LYS 46 OK 27 87 - 31 - ~6867=2, ~6866=2...(15) HG2 PRO 68 - HG3 LYS 46 OK 27 87 - 31 - ~6867=2, ~6866=2...(15) HB ILE 124 - HG3 LYS 46 OK 24 92 - 27 - 5345/2.9=2, 8114/1.8=2...(13) HB ILE 124 - HG2 LYS 46 OK 24 92 - 27 - 5345/2.9=2, 8114/1.8=2...(13) HB2 MET 11 - HG2 LYS 46 OK 24 96 - 25 - 2933=2, ~1849=2...(15) HB2 MET 11 - HG3 LYS 46 OK 24 96 - 25 - 2933=2, ~1849=2...(15) HB2 LEU 55 - HG2 LYS 46 OK 18 100 - 18 - 2971/2.9=1, 3.0/8273=1 HB2 LEU 55 - HG3 LYS 46 OK 18 100 - 18 - 2971/2.9=1, 3.0/8273=1 HB2 LEU 55 - HG3 LYS 119 OK 12 90 - 13 - 5628/4.9=2, 3230/2.9=1 HB3 ARG 53 - HG3 LYS 46 OK 10 71 - 15 - 3139/2.9=1, ~3132=1 HB3 ARG 53 - HG2 LYS 46 OK 10 71 - 15 - 3139/2.9=1, ~3132=1 HB2 ARG 71 - HG3 LYS 46 poor 8 73 - 10 - HB2 ARG 71 - HG2 LYS 46 poor 8 73 - 10 - HG2 PRO 60 - HG2 LYS 46 lone 6 100 - 6 - HG2 PRO 60 - HG3 LYS 46 lone 6 100 - 6 - HG LEU 114 - HG3 LYS 119 lone 5 73 - 8 - 2.1/7959=1 HG LEU 45 - HG3 LYS 119 lone 4 56 - 8 - 2.1/8283=1 HB2 GLU 94 - HG3 LYS 46 lone 4 100 - 4 - HB2 GLU 94 - HG2 LYS 46 lone 4 100 - 4 - HB2 LEU 41 - HG3 LYS 119 lone 4 78 - 5 - HB2 MET 11 - HG3 LYS 119 lone 4 83 - 4 - HB3 PRO 68 - HG3 LYS 119 lone 3 78 - 4 - HG2 PRO 68 - HG3 LYS 119 lone 3 73 - 4 - HB3 GLN 103 - HG3 LYS 119 lone 2 78 - 3 - HB3 ARG 53 - HG3 LYS 119 lone 2 58 - 3 - HB2 GLU 94 - HG3 LYS 119 lone 2 90 - 2 - HB ILE 124 - HG3 LYS 119 lone 1 78 - 2 - HG2 PRO 60 - HG3 LYS 119 lone 1 89 - 1 - HB2 ARG 71 - HG3 LYS 119 lone 1 60 - 2 - Peak 2952 from cnoeabs.peaks (1.75, 1.33, 24.73 ppm; 3.62 A): 4 out of 48 assignments used, quality = 1.00: * HB3 LYS 46 + HG2 LYS 46 OK 100 100 - 100 - 2.9=100 HB3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 - 2.9=100 HB2 LEU 45 + HG3 LYS 46 OK 52 100 - 53 - 4.3/976=5, 2932/2.9=4...(28) HB2 LEU 45 + HG2 LYS 46 OK 52 100 - 53 - 4.3/976=5, 2932/2.9=4...(28) HD2 LYS 109 - HG3 LYS 46 OK 43 97 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HD2 LYS 109 - HG2 LYS 46 OK 43 97 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HD3 LYS 109 - HG2 LYS 46 OK 42 93 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HD3 LYS 109 - HG3 LYS 46 OK 42 93 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HB3 LYS 46 - HG3 LYS 119 OK 36 90 - 41 - 2943=4, 1.8/2934=3...(18) HG2 GLN 42 - HG2 LYS 46 OK 34 99 - 34 - 3.5/6793=5, 3.5/6790=5...(14) HG2 GLN 42 - HG3 LYS 46 OK 34 99 - 34 - 3.5/6793=5, 3.5/6790=5...(14) HG3 PRO 30 - HG3 LYS 119 OK 25 83 - 31 - 2.3/5215=3, ~2380=2...(16) HB2 LYS 31 - HG3 LYS 119 OK 23 53 - 43 - ~2420=4, 2.9/5225=3...(20) HD2 LYS 109 - HG3 LYS 119 OK 18 84 - 22 - 4933/2.9=1, ~4923=1...(6) HD3 LYS 109 - HG3 LYS 119 OK 18 80 - 22 - 4933/2.9=1, ~4923=1...(6) HB2 ARG 53 - HG3 LYS 46 OK 14 97 - 14 - 3132/2.9=2, 2972/2.9=1 HB2 ARG 53 - HG2 LYS 46 OK 14 97 - 14 - 3132/2.9=2, 2972/2.9=1 HG3 ARG 71 - HG2 LYS 46 OK 14 100 - 14 - 2932/2.9=1, 2972/2.9=1 HG3 ARG 71 - HG3 LYS 46 OK 14 100 - 14 - 2932/2.9=1, 2972/2.9=1 HG2 ARG 71 - HG2 LYS 46 OK 14 99 - 14 - 2932/2.9=1, 2972/2.9=1 HG2 ARG 71 - HG3 LYS 46 OK 14 99 - 14 - 2932/2.9=1, 2972/2.9=1 HB2 LEU 45 - HG3 LYS 119 lone 9 90 - 10 - 4.3/975=1, 2887/1.8=1 HG3 PRO 30 - HG3 LYS 46 lone 9 96 - 9 - HG3 PRO 30 - HG2 LYS 46 lone 9 96 - 9 - HG LEU 117 - HG3 LYS 46 lone 8 97 - 8 - HG LEU 117 - HG2 LYS 46 lone 8 97 - 8 - HG LEU 117 - HG3 LYS 119 lone 7 84 - 9 - ~8032=2, ~8035=2, 4.8/5918=2 HB2 LEU 91 - HG2 LYS 46 lone 7 89 - 8 - HB2 LEU 91 - HG3 LYS 46 lone 7 89 - 8 - HB2 GLU 75 - HG3 LYS 46 lone 7 73 - 9 - HB2 GLU 75 - HG2 LYS 46 lone 7 73 - 9 - HB3 ARG 71 - HG2 LYS 46 lone 7 76 - 9 - HB3 ARG 71 - HG3 LYS 46 lone 7 76 - 9 - HB2 LYS 31 - HG2 LYS 46 lone 6 65 - 9 - HB2 LYS 31 - HG3 LYS 46 lone 6 65 - 9 - HB2 LEU 117 - HG2 LYS 46 lone 6 78 - 8 - HB2 LEU 117 - HG3 LYS 46 lone 6 78 - 8 - HB VAL 66 - HG2 LYS 46 lone 6 100 - 6 - HB VAL 66 - HG3 LYS 46 lone 6 100 - 6 - HB2 LEU 91 - HG3 LYS 119 lone 6 75 - 8 - ~8030=1 HB2 LEU 117 - HG3 LYS 119 lone 5 65 - 8 - 4.0/5918=2, ~8032=2, ~8035=1 HG2 GLN 42 - HG3 LYS 119 lone 3 87 - 4 - HB2 ARG 53 - HG3 LYS 119 lone 3 85 - 3 - HB2 GLU 75 - HG3 LYS 119 lone 2 60 - 3 - HG3 ARG 71 - HG3 LYS 119 lone 2 89 - 2 - HG2 ARG 71 - HG3 LYS 119 lone 2 87 - 2 - HB VAL 66 - HG3 LYS 119 lone 1 89 - 1 - HB3 ARG 71 - HG3 LYS 119 lone 1 63 - 2 - Peak 2953 from cnoeabs.peaks (1.33, 1.33, 24.73 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 * HG2 LYS 46 + HG2 LYS 46 OK 100 100 - 100 HG3 LYS 119 + HG3 LYS 119 OK 86 86 - 100 Peak 2954 from cnoeabs.peaks (1.33, 1.33, 24.73 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 HG2 LYS 46 + HG2 LYS 46 OK 100 100 - 100 HG3 LYS 119 + HG3 LYS 119 OK 86 86 - 100 Reference assignment not found: HG3 LYS 46 - HG2 LYS 46 Peak 2955 from cnoeabs.peaks (1.46, 1.33, 24.73 ppm; 2.62 A): 3 out of 48 assignments used, quality = 1.00: HG2 LYS 119 + HG3 LYS 119 OK 90 90 - 100 - 1.8=100 * HD2 LYS 46 + HG2 LYS 46 OK 81 100 - 81 - 2.9=71, 3.0/2993=5...(15) HD2 LYS 46 + HG3 LYS 46 OK 81 100 - 81 - 2.9=71, 3.0/2993=5...(15) HG2 LYS 119 - HG2 LYS 46 OK 38 100 - 38 - 5225=6, 5225/1.8=4...(13) HG2 LYS 119 - HG3 LYS 46 OK 38 100 - 38 - 5225=6, 5225/1.8=4...(13) HB3 LEU 45 - HG3 LYS 46 OK 28 99 - 28 - 4.3/975=3, 2893/2.9=2...(11) HB3 LEU 45 - HG2 LYS 46 OK 28 99 - 28 - 4.3/975=3, 2893/2.9=2...(11) HD3 LYS 65 - HG2 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HD3 LYS 65 - HG3 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HD2 LYS 65 - HG2 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HD2 LYS 65 - HG3 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HG3 LYS 31 - HG3 LYS 119 OK 23 89 - 27 - 5225=5, 5204/2.9=2...(7) HD2 LYS 46 - HG3 LYS 119 OK 23 90 - 26 - 2973=3, 1.8/2984=2...(11) HG2 LYS 109 - HG3 LYS 46 OK 21 78 - 26 - 4915/2.9=2, 1.8/2966=1...(6) HG2 LYS 109 - HG2 LYS 46 OK 21 78 - 26 - 4915/2.9=2, 1.8/2966=1...(6) HG LEU 24 - HG2 LYS 46 OK 16 99 - 16 - 2217/2.9=1, 4.3/8478=1...(4) HG LEU 24 - HG3 LYS 46 OK 16 99 - 16 - 2217/2.9=1, 4.3/8478=1...(4) HG3 ARG 57 - HG3 LYS 119 OK 13 86 - 15 - 3327/3.0=1, 3327/3.0=1...(4) QB ALA 14 - HG2 LYS 46 OK 12 99 - 12 - 6306=2, 6306/1.8=2, 2.1/6295=1 QB ALA 14 - HG3 LYS 46 OK 12 99 - 12 - 6306=2, 6306/1.8=2, 2.1/6295=1 HG2 LYS 109 - HG3 LYS 119 poor 10 65 - 15 - 5204/2.9=1 HB3 LEU 58 - HG3 LYS 119 poor 8 49 - 17 - 5204/2.9=1 HB3 LEU 101 - HG3 LYS 46 lone 8 85 - 10 - HB3 LEU 101 - HG2 LYS 46 lone 8 85 - 10 - HG3 LYS 31 - HG3 LYS 46 lone 6 100 - 6 - HG3 LYS 31 - HG2 LYS 46 lone 6 100 - 6 - HB2 LEU 93 - HG3 LYS 119 lone 6 88 - 7 - HB3 LEU 101 - HG3 LYS 119 lone 6 71 - 8 - HG LEU 24 - HG3 LYS 119 lone 5 87 - 6 - QB ALA 14 - HG3 LYS 119 lone 5 88 - 6 - 6306=1 HB3 GLU 75 - HG2 LYS 46 lone 5 99 - 5 - HB3 GLU 75 - HG3 LYS 46 lone 5 99 - 5 - HB3 LEU 45 - HG3 LYS 119 lone 5 87 - 5 - HG3 ARG 57 - HG2 LYS 46 lone 3 98 - 3 - HG3 ARG 57 - HG3 LYS 46 lone 3 98 - 3 - HB2 LEU 93 - HG3 LYS 46 lone 3 99 - 3 - HB2 LEU 93 - HG2 LYS 46 lone 3 99 - 3 - HB3 LEU 58 - HG3 LYS 46 lone 2 60 - 4 - HB3 LEU 58 - HG2 LYS 46 lone 2 60 - 4 - QB ALA 89 - HG3 LYS 119 lone 2 73 - 3 - QB ALA 89 - HG2 LYS 46 lone 2 87 - 2 - QB ALA 89 - HG3 LYS 46 lone 2 87 - 2 - HB3 LEU 91 - HG3 LYS 46 lone 2 60 - 3 - HB3 LEU 91 - HG2 LYS 46 lone 2 60 - 3 - HB3 GLU 75 - HG3 LYS 119 lone 2 87 - 2 - HB3 LEU 91 - HG3 LYS 119 lone 2 49 - 3 - HD2 LYS 65 - HG3 LYS 119 lone 2 78 - 2 - HD3 LYS 65 - HG3 LYS 119 lone 2 78 - 2 - Peak 2956 from cnoeabs.peaks (1.53, 1.33, 24.73 ppm; 3.03 A): 2 out of 27 assignments used, quality = 1.00: * HD3 LYS 46 + HG2 LYS 46 OK 100 100 - 100 - 2.9=100 HD3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 - 2.9=100 HG3 LYS 109 - HG3 LYS 46 OK 30 81 - 37 - 2976/2.9=3, 2946/2.9=2...(13) HG3 LYS 109 - HG2 LYS 46 OK 30 81 - 37 - 2976/2.9=3, 2946/2.9=2...(13) HD3 LYS 46 - HG3 LYS 119 OK 29 90 - 32 - 2983=5, 2985/1.8=4...(11) HB3 LYS 65 - HG2 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB3 LYS 65 - HG3 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB2 LYS 65 - HG3 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB2 LYS 65 - HG2 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB3 LEU 114 - HG3 LYS 46 OK 21 63 - 34 - 3.1/7959=4, 1.8/7942=4...(15) HB3 LEU 114 - HG2 LYS 46 OK 21 63 - 34 - 3.1/7959=4, 1.8/7942=4...(15) HB2 LEU 24 - HG3 LYS 46 OK 19 78 - 24 - 3.0/8478=3, 2976/2.9=2...(12) HB2 LEU 24 - HG2 LYS 46 OK 19 78 - 24 - 3.0/8478=3, 2976/2.9=2...(12) HG3 LYS 109 - HG3 LYS 119 OK 14 67 - 20 - 4923/2.9=2, 4924/1.8=2 HG12 ILE 124 - HG3 LYS 46 OK 11 73 - 15 - 5357/2.9=1, 2946/2.9=1...(4) HG12 ILE 124 - HG2 LYS 46 OK 11 73 - 15 - 5357/2.9=1, 2946/2.9=1...(4) HB2 LEU 24 - HG3 LYS 119 lone 5 65 - 8 - 3.0/8478=1 HG2 ARG 92 - HG3 LYS 46 lone 3 87 - 3 - HG2 ARG 92 - HG2 LYS 46 lone 3 87 - 3 - HG3 ARG 92 - HG3 LYS 46 lone 3 83 - 3 - HG3 ARG 92 - HG2 LYS 46 lone 3 83 - 3 - HB3 LEU 114 - HG3 LYS 119 lone 2 51 - 5 - HB3 LYS 65 - HG3 LYS 119 lone 2 77 - 3 - HB2 LYS 65 - HG3 LYS 119 lone 2 77 - 3 - HG2 ARG 92 - HG3 LYS 119 lone 1 73 - 1 - HG3 ARG 92 - HG3 LYS 119 lone 1 69 - 1 - HG12 ILE 124 - HG3 LYS 119 lone 1 60 - 1 - Peak 2957 from cnoeabs.peaks (2.65, 1.33, 24.73 ppm; 3.90 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 46 + HG3 LYS 46 OK 99 100 - 99 - 3.9=98, 2993/1.8=15...(18) * HE2 LYS 46 + HG2 LYS 46 OK 99 100 - 99 - 3.9=98, 2993/1.8=15...(18) HG2 GLN 103 + HG3 LYS 46 OK 62 96 - 65 - 2987/2.9=11, 2977/2.9=11...(25) HG2 GLN 103 + HG2 LYS 46 OK 62 96 - 65 - 2987/2.9=11, 2977/2.9=11...(25) HE2 LYS 46 - HG3 LYS 119 OK 27 90 - 30 - 2994=5, 3.0/2974=4...(12) HB3 ASP 123 - HG3 LYS 46 lone 9 99 - 9 - 2987/2.9=2, 2977/2.9=2...(4) HB3 ASP 123 - HG2 LYS 46 lone 9 99 - 9 - 2987/2.9=2, 2977/2.9=2...(4) HG2 GLN 103 - HG3 LYS 119 lone 3 83 - 4 - HB3 ASP 123 - HG3 LYS 119 lone 2 87 - 3 - Peak 2958 from cnoeabs.peaks (2.54, 1.33, 24.73 ppm; 3.81 A): 4 out of 15 assignments used, quality = 1.00: HE3 LYS 46 + HG3 LYS 46 OK 97 100 - 97 - 3.9=91, 1.8/2993=14...(19) * HE3 LYS 46 + HG2 LYS 46 OK 97 100 - 97 - 3.9=91, 1.8/2993=14...(19) HG3 GLN 103 + HG3 LYS 46 OK 52 83 - 63 - 2988/2.9=8, 2978/2.9=8...(25) HG3 GLN 103 + HG2 LYS 46 OK 52 83 - 63 - 2988/2.9=8, 2978/2.9=8...(25) HE2 LYS 65 - HG2 LYS 46 OK 34 73 - 47 - 2978/2.9=5, 2988/2.9=5...(21) HE2 LYS 65 - HG3 LYS 46 OK 34 73 - 47 - 2978/2.9=5, 2988/2.9=5...(21) HE3 LYS 46 - HG3 LYS 119 OK 25 90 - 28 - 1.8/2994=4, 3.0/2973=4...(12) HB3 ASP 36 - HG3 LYS 46 lone 9 97 - 9 - 2978/2.9=2, 2988/2.9=1 HB3 ASP 36 - HG2 LYS 46 lone 9 97 - 9 - 2978/2.9=2, 2988/2.9=1 HG2 GLU 82 - HG3 LYS 46 lone 4 81 - 5 - HG2 GLU 82 - HG2 LYS 46 lone 4 81 - 5 - HG3 GLN 103 - HG3 LYS 119 lone 2 69 - 4 - HB3 ASP 36 - HG3 LYS 119 lone 2 85 - 3 - HE2 LYS 65 - HG3 LYS 119 lone 2 60 - 3 - HG2 GLU 82 - HG3 LYS 119 lone 1 67 - 2 - Peak 2959 from cnoeabs.peaks (6.90, 1.33, 24.73 ppm; 4.15 A): 8 out of 12 assignments used, quality = 1.00: H LYS 46 + HG2 LYS 46 OK 90 100 - 90 - 5.1=52, 2939/2.9=15...(25) * H LYS 46 + HG3 LYS 46 OK 90 100 - 90 - 5.1=52, 2939/2.9=15...(25) HE22 GLN 103 + HG2 LYS 46 OK 51 100 - 51 - 763/3.9=10, 764/3.9=8...(13) HE22 GLN 103 + HG3 LYS 46 OK 51 100 - 51 - 763/3.9=10, 764/3.9=8...(13) HZ3 TRP 20 + HG2 LYS 46 OK 50 100 - 50 - 4643=8, 4643/1.8=7...(15) HZ3 TRP 20 + HG3 LYS 46 OK 50 100 - 50 - 4643=8, 4643/1.8=7...(15) QE TYR 102 + HG3 LYS 46 OK 48 63 - 76 - 2.2/4820=16, 4759=12...(20) QE TYR 102 + HG2 LYS 46 OK 48 63 - 76 - 2.2/4820=16, 4759=12...(20) H LYS 46 - HG3 LYS 119 OK 23 90 - 26 - 2.9/2924=3, 975=3...(10) QE TYR 102 - HG3 LYS 119 poor 6 51 - 12 - 2.2/4820=2, 5.7/7737=2...(5) HZ3 TRP 20 - HG3 LYS 119 lone 5 89 - 6 - 4643=1 HE22 GLN 103 - HG3 LYS 119 lone 3 90 - 4 - Peak 2960 from cnoeabs.peaks (3.64, 1.33, 24.73 ppm; 3.86 A): 2 out of 18 assignments used, quality = 1.00: HA LYS 46 + HG2 LYS 46 OK 99 100 - 99 - 3.9=97, 2924/1.8=12...(28) * HA LYS 46 + HG3 LYS 46 OK 99 100 - 99 - 3.9=97, 2924/1.8=12...(28) HA LEU 41 - HG2 LYS 46 OK 43 99 - 43 - 2930/2.9=6, 2940/2.9=5...(17) HA LEU 41 - HG3 LYS 46 OK 43 99 - 43 - 2930/2.9=6, 2940/2.9=5...(17) HA VAL 115 - HG2 LYS 46 OK 34 83 - 41 - 3.2/7977=4, 3.2/7964=4...(19) HA VAL 115 - HG3 LYS 46 OK 34 83 - 41 - 3.2/7977=4, 3.2/7964=4...(19) HA LYS 46 - HG3 LYS 119 OK 33 90 - 37 - 6860/3.0=5, 6860/3.0=5...(17) HA VAL 115 - HG3 LYS 119 OK 24 69 - 35 - 3.2/7964=6, 6248/4.9=5...(13) HA ILE 80 - HG3 LYS 46 OK 21 100 - 21 - 2930/2.9=3, 2940/2.9=3...(8) HA ILE 80 - HG2 LYS 46 OK 21 100 - 21 - 2930/2.9=3, 2940/2.9=3...(8) HA ILE 80 - HG3 LYS 119 OK 17 90 - 18 - 7427/3.9=3, 7427/3.9=3...(6) HD2 PRO 70 - HG2 LYS 46 poor 7 68 - 11 - 198/4.9=2, 2930/2.9=1 HD2 PRO 70 - HG3 LYS 46 poor 7 68 - 11 - 198/4.9=2, 2930/2.9=1 HA LEU 111 - HG3 LYS 46 lone 5 57 - 9 - 4.0/8166=1 HA LEU 111 - HG2 LYS 46 lone 5 57 - 9 - 4.0/8166=1 HA LEU 41 - HG3 LYS 119 lone 4 88 - 5 - HA LEU 111 - HG3 LYS 119 lone 4 46 - 9 - 1791/4.9=3, 4.0/8166=2 HD2 PRO 70 - HG3 LYS 119 lone 3 56 - 5 - 1791/4.9=2 Peak 2961 from cnoeabs.peaks (2.00, 1.33, 24.73 ppm; 3.80 A): 4 out of 42 assignments used, quality = 1.00: HB2 LYS 46 + HG2 LYS 46 OK 100 100 - 100 - 2.9=100 * HB2 LYS 46 + HG3 LYS 46 OK 100 100 - 100 - 2.9=100 HB3 GLN 103 + HG3 LYS 46 OK 57 92 - 62 - 4736/3.9=8, 4737/3.9=7...(27) HB3 GLN 103 + HG2 LYS 46 OK 57 92 - 62 - 4736/3.9=8, 4737/3.9=7...(27) HG LEU 114 - HG2 LYS 46 OK 42 87 - 49 - 2.1/7959=7, 3.0/7943=6...(20) HG LEU 114 - HG3 LYS 46 OK 42 87 - 49 - 2.1/7959=7, 3.0/7943=6...(20) HB2 LEU 41 - HG2 LYS 46 OK 41 92 - 45 - 2785/3.9=4, 3.1/8265=4...(27) HB2 LEU 41 - HG3 LYS 46 OK 41 92 - 45 - 2785/3.9=4, 3.1/8265=4...(27) HB2 LYS 46 - HG3 LYS 119 OK 41 90 - 45 - 2934=4, 2935/1.8=4...(23) HG LEU 45 - HG3 LYS 46 OK 32 68 - 47 - 2.1/8283=5, ~8283=4...(30) HG LEU 45 - HG2 LYS 46 OK 32 68 - 47 - 2.1/8283=5, ~8283=4...(30) HB3 PRO 68 - HG3 LYS 46 OK 28 92 - 31 - 2.3/8298=2, 2981/2.9=2...(17) HB3 PRO 68 - HG2 LYS 46 OK 28 92 - 31 - 2.3/8298=2, 2981/2.9=2...(17) HG2 PRO 68 - HG2 LYS 46 OK 27 87 - 31 - ~6867=2, ~6866=2...(15) HG2 PRO 68 - HG3 LYS 46 OK 27 87 - 31 - ~6867=2, ~6866=2...(15) HB ILE 124 - HG3 LYS 46 OK 24 92 - 27 - 5345/2.9=2, 8114/1.8=2...(13) HB ILE 124 - HG2 LYS 46 OK 24 92 - 27 - 5345/2.9=2, 8114/1.8=2...(13) HB2 MET 11 - HG2 LYS 46 OK 24 96 - 25 - 2933=2, ~1849=2...(15) HB2 MET 11 - HG3 LYS 46 OK 24 96 - 25 - 2933=2, ~1849=2...(15) HB2 LEU 55 - HG2 LYS 46 OK 18 100 - 18 - 2971/2.9=1, 3.0/8273=1 HB2 LEU 55 - HG3 LYS 46 OK 18 100 - 18 - 2971/2.9=1, 3.0/8273=1 HB2 LEU 55 - HG3 LYS 119 OK 12 90 - 13 - 5628/4.9=2, 3230/2.9=1 HB3 ARG 53 - HG3 LYS 46 OK 10 71 - 15 - 3139/2.9=1, ~3132=1 HB3 ARG 53 - HG2 LYS 46 OK 10 71 - 15 - 3139/2.9=1, ~3132=1 HB2 ARG 71 - HG3 LYS 46 poor 8 73 - 10 - HB2 ARG 71 - HG2 LYS 46 poor 8 73 - 10 - HG2 PRO 60 - HG2 LYS 46 lone 6 100 - 6 - HG2 PRO 60 - HG3 LYS 46 lone 6 100 - 6 - HG LEU 114 - HG3 LYS 119 lone 5 73 - 8 - 2.1/7959=1 HG LEU 45 - HG3 LYS 119 lone 4 56 - 8 - 2.1/8283=1 HB2 GLU 94 - HG3 LYS 46 lone 4 100 - 4 - HB2 GLU 94 - HG2 LYS 46 lone 4 100 - 4 - HB2 LEU 41 - HG3 LYS 119 lone 4 78 - 5 - HB2 MET 11 - HG3 LYS 119 lone 4 83 - 4 - HB3 PRO 68 - HG3 LYS 119 lone 3 78 - 4 - HG2 PRO 68 - HG3 LYS 119 lone 3 73 - 4 - HB3 GLN 103 - HG3 LYS 119 lone 2 78 - 3 - HB3 ARG 53 - HG3 LYS 119 lone 2 58 - 3 - HB2 GLU 94 - HG3 LYS 119 lone 2 90 - 2 - HB ILE 124 - HG3 LYS 119 lone 1 78 - 2 - HG2 PRO 60 - HG3 LYS 119 lone 1 89 - 1 - HB2 ARG 71 - HG3 LYS 119 lone 1 60 - 2 - Peak 2962 from cnoeabs.peaks (1.75, 1.33, 24.73 ppm; 3.62 A): 4 out of 48 assignments used, quality = 1.00: HB3 LYS 46 + HG2 LYS 46 OK 100 100 - 100 - 2.9=100 * HB3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 - 2.9=100 HB2 LEU 45 + HG3 LYS 46 OK 52 100 - 53 - 4.3/976=5, 2932/2.9=4...(28) HB2 LEU 45 + HG2 LYS 46 OK 52 100 - 53 - 4.3/976=5, 2932/2.9=4...(28) HD2 LYS 109 - HG3 LYS 46 OK 43 97 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HD2 LYS 109 - HG2 LYS 46 OK 43 97 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HD3 LYS 109 - HG2 LYS 46 OK 42 93 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HD3 LYS 109 - HG3 LYS 46 OK 42 93 - 45 - 2982/2.9=3, 2972/2.9=3...(26) HB3 LYS 46 - HG3 LYS 119 OK 36 90 - 41 - 2943=4, 1.8/2934=3...(18) HG2 GLN 42 - HG2 LYS 46 OK 34 99 - 34 - 3.5/6793=5, 3.5/6790=5...(14) HG2 GLN 42 - HG3 LYS 46 OK 34 99 - 34 - 3.5/6793=5, 3.5/6790=5...(14) HG3 PRO 30 - HG3 LYS 119 OK 25 83 - 31 - 2.3/5215=3, ~2380=2...(16) HB2 LYS 31 - HG3 LYS 119 OK 23 53 - 43 - ~2420=4, 2.9/5225=3...(20) HD2 LYS 109 - HG3 LYS 119 OK 18 84 - 22 - 4933/2.9=1, ~4923=1...(6) HD3 LYS 109 - HG3 LYS 119 OK 18 80 - 22 - 4933/2.9=1, ~4923=1...(6) HB2 ARG 53 - HG3 LYS 46 OK 14 97 - 14 - 3132/2.9=2, 2972/2.9=1 HB2 ARG 53 - HG2 LYS 46 OK 14 97 - 14 - 3132/2.9=2, 2972/2.9=1 HG3 ARG 71 - HG2 LYS 46 OK 14 100 - 14 - 2932/2.9=1, 2972/2.9=1 HG3 ARG 71 - HG3 LYS 46 OK 14 100 - 14 - 2932/2.9=1, 2972/2.9=1 HG2 ARG 71 - HG2 LYS 46 OK 14 99 - 14 - 2932/2.9=1, 2972/2.9=1 HG2 ARG 71 - HG3 LYS 46 OK 14 99 - 14 - 2932/2.9=1, 2972/2.9=1 HB2 LEU 45 - HG3 LYS 119 lone 9 90 - 10 - 4.3/975=1, 2887/1.8=1 HG3 PRO 30 - HG3 LYS 46 lone 9 96 - 9 - HG3 PRO 30 - HG2 LYS 46 lone 9 96 - 9 - HG LEU 117 - HG3 LYS 46 lone 8 97 - 8 - HG LEU 117 - HG2 LYS 46 lone 8 97 - 8 - HG LEU 117 - HG3 LYS 119 lone 7 84 - 9 - ~8032=2, ~8035=2, 4.8/5918=2 HB2 LEU 91 - HG2 LYS 46 lone 7 89 - 8 - HB2 LEU 91 - HG3 LYS 46 lone 7 89 - 8 - HB2 GLU 75 - HG3 LYS 46 lone 7 73 - 9 - HB2 GLU 75 - HG2 LYS 46 lone 7 73 - 9 - HB3 ARG 71 - HG2 LYS 46 lone 7 76 - 9 - HB3 ARG 71 - HG3 LYS 46 lone 7 76 - 9 - HB2 LYS 31 - HG2 LYS 46 lone 6 65 - 9 - HB2 LYS 31 - HG3 LYS 46 lone 6 65 - 9 - HB2 LEU 117 - HG2 LYS 46 lone 6 78 - 8 - HB2 LEU 117 - HG3 LYS 46 lone 6 78 - 8 - HB VAL 66 - HG2 LYS 46 lone 6 100 - 6 - HB VAL 66 - HG3 LYS 46 lone 6 100 - 6 - HB2 LEU 91 - HG3 LYS 119 lone 6 75 - 8 - ~8030=1 HB2 LEU 117 - HG3 LYS 119 lone 5 65 - 8 - 4.0/5918=2, ~8032=2, ~8035=1 HG2 GLN 42 - HG3 LYS 119 lone 3 87 - 4 - HB2 ARG 53 - HG3 LYS 119 lone 3 85 - 3 - HB2 GLU 75 - HG3 LYS 119 lone 2 60 - 3 - HG3 ARG 71 - HG3 LYS 119 lone 2 89 - 2 - HG2 ARG 71 - HG3 LYS 119 lone 2 87 - 2 - HB VAL 66 - HG3 LYS 119 lone 1 89 - 1 - HB3 ARG 71 - HG3 LYS 119 lone 1 63 - 2 - Peak 2963 from cnoeabs.peaks (1.33, 1.33, 24.73 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 HG2 LYS 46 + HG2 LYS 46 OK 100 100 - 100 HG3 LYS 119 + HG3 LYS 119 OK 86 86 - 100 Reference assignment not found: HG2 LYS 46 - HG3 LYS 46 Peak 2964 from cnoeabs.peaks (1.33, 1.33, 24.73 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 HG2 LYS 46 + HG2 LYS 46 OK 100 100 - 100 HG3 LYS 119 + HG3 LYS 119 OK 86 86 - 100 Peak 2965 from cnoeabs.peaks (1.46, 1.33, 24.73 ppm; 2.62 A): 3 out of 48 assignments used, quality = 1.00: HG2 LYS 119 + HG3 LYS 119 OK 90 90 - 100 - 1.8=100 HD2 LYS 46 + HG2 LYS 46 OK 81 100 - 81 - 2.9=71, 3.0/2993=5...(15) * HD2 LYS 46 + HG3 LYS 46 OK 81 100 - 81 - 2.9=71, 3.0/2993=5...(15) HG2 LYS 119 - HG2 LYS 46 OK 38 100 - 38 - 5225=6, 5225/1.8=4...(13) HG2 LYS 119 - HG3 LYS 46 OK 38 100 - 38 - 5225=6, 5225/1.8=4...(13) HB3 LEU 45 - HG3 LYS 46 OK 28 99 - 28 - 4.3/975=3, 2893/2.9=2...(11) HB3 LEU 45 - HG2 LYS 46 OK 28 99 - 28 - 4.3/975=3, 2893/2.9=2...(11) HD3 LYS 65 - HG2 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HD3 LYS 65 - HG3 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HD2 LYS 65 - HG2 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HD2 LYS 65 - HG3 LYS 46 OK 27 92 - 29 - 2985/2.9=2, 2995/3.9=1...(6) HG3 LYS 31 - HG3 LYS 119 OK 23 89 - 27 - 5225=5, 5204/2.9=2...(7) HD2 LYS 46 - HG3 LYS 119 OK 23 90 - 26 - 2973=3, 1.8/2984=2...(11) HG2 LYS 109 - HG3 LYS 46 OK 21 78 - 26 - 4915/2.9=2, 1.8/2966=1...(6) HG2 LYS 109 - HG2 LYS 46 OK 21 78 - 26 - 4915/2.9=2, 1.8/2966=1...(6) HG LEU 24 - HG2 LYS 46 OK 16 99 - 16 - 2217/2.9=1, 4.3/8478=1...(4) HG LEU 24 - HG3 LYS 46 OK 16 99 - 16 - 2217/2.9=1, 4.3/8478=1...(4) HG3 ARG 57 - HG3 LYS 119 OK 13 86 - 15 - 3327/3.0=1, 3327/3.0=1...(4) QB ALA 14 - HG2 LYS 46 OK 12 99 - 12 - 6306=2, 6306/1.8=2, 2.1/6295=1 QB ALA 14 - HG3 LYS 46 OK 12 99 - 12 - 6306=2, 6306/1.8=2, 2.1/6295=1 HG2 LYS 109 - HG3 LYS 119 poor 10 65 - 15 - 5204/2.9=1 HB3 LEU 58 - HG3 LYS 119 poor 8 49 - 17 - 5204/2.9=1 HB3 LEU 101 - HG3 LYS 46 lone 8 85 - 10 - HB3 LEU 101 - HG2 LYS 46 lone 8 85 - 10 - HG3 LYS 31 - HG3 LYS 46 lone 6 100 - 6 - HG3 LYS 31 - HG2 LYS 46 lone 6 100 - 6 - HB2 LEU 93 - HG3 LYS 119 lone 6 88 - 7 - HB3 LEU 101 - HG3 LYS 119 lone 6 71 - 8 - HG LEU 24 - HG3 LYS 119 lone 5 87 - 6 - QB ALA 14 - HG3 LYS 119 lone 5 88 - 6 - 6306=1 HB3 GLU 75 - HG2 LYS 46 lone 5 99 - 5 - HB3 GLU 75 - HG3 LYS 46 lone 5 99 - 5 - HB3 LEU 45 - HG3 LYS 119 lone 5 87 - 5 - HG3 ARG 57 - HG2 LYS 46 lone 3 98 - 3 - HG3 ARG 57 - HG3 LYS 46 lone 3 98 - 3 - HB2 LEU 93 - HG3 LYS 46 lone 3 99 - 3 - HB2 LEU 93 - HG2 LYS 46 lone 3 99 - 3 - HB3 LEU 58 - HG3 LYS 46 lone 2 60 - 4 - HB3 LEU 58 - HG2 LYS 46 lone 2 60 - 4 - QB ALA 89 - HG3 LYS 119 lone 2 73 - 3 - QB ALA 89 - HG2 LYS 46 lone 2 87 - 2 - QB ALA 89 - HG3 LYS 46 lone 2 87 - 2 - HB3 LEU 91 - HG3 LYS 46 lone 2 60 - 3 - HB3 LEU 91 - HG2 LYS 46 lone 2 60 - 3 - HB3 GLU 75 - HG3 LYS 119 lone 2 87 - 2 - HB3 LEU 91 - HG3 LYS 119 lone 2 49 - 3 - HD2 LYS 65 - HG3 LYS 119 lone 2 78 - 2 - HD3 LYS 65 - HG3 LYS 119 lone 2 78 - 2 - Peak 2966 from cnoeabs.peaks (1.53, 1.33, 24.73 ppm; 3.03 A): 2 out of 27 assignments used, quality = 1.00: HD3 LYS 46 + HG2 LYS 46 OK 100 100 - 100 - 2.9=100 * HD3 LYS 46 + HG3 LYS 46 OK 100 100 - 100 - 2.9=100 HG3 LYS 109 - HG3 LYS 46 OK 30 81 - 37 - 2976/2.9=3, 2946/2.9=2...(13) HG3 LYS 109 - HG2 LYS 46 OK 30 81 - 37 - 2976/2.9=3, 2946/2.9=2...(13) HD3 LYS 46 - HG3 LYS 119 OK 29 90 - 32 - 2983=5, 2985/1.8=4...(11) HB3 LYS 65 - HG2 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB3 LYS 65 - HG3 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB2 LYS 65 - HG3 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB2 LYS 65 - HG2 LYS 46 OK 27 90 - 30 - 2976/2.9=3, 2996/3.9=2...(12) HB3 LEU 114 - HG3 LYS 46 OK 21 63 - 34 - 3.1/7959=4, 1.8/7942=4...(15) HB3 LEU 114 - HG2 LYS 46 OK 21 63 - 34 - 3.1/7959=4, 1.8/7942=4...(15) HB2 LEU 24 - HG3 LYS 46 OK 19 78 - 24 - 3.0/8478=3, 2976/2.9=2...(12) HB2 LEU 24 - HG2 LYS 46 OK 19 78 - 24 - 3.0/8478=3, 2976/2.9=2...(12) HG3 LYS 109 - HG3 LYS 119 OK 14 67 - 20 - 4923/2.9=2, 4924/1.8=2 HG12 ILE 124 - HG3 LYS 46 OK 11 73 - 15 - 5357/2.9=1, 2946/2.9=1...(4) HG12 ILE 124 - HG2 LYS 46 OK 11 73 - 15 - 5357/2.9=1, 2946/2.9=1...(4) HB2 LEU 24 - HG3 LYS 119 lone 5 65 - 8 - 3.0/8478=1 HG2 ARG 92 - HG3 LYS 46 lone 3 87 - 3 - HG2 ARG 92 - HG2 LYS 46 lone 3 87 - 3 - HG3 ARG 92 - HG3 LYS 46 lone 3 83 - 3 - HG3 ARG 92 - HG2 LYS 46 lone 3 83 - 3 - HB3 LEU 114 - HG3 LYS 119 lone 2 51 - 5 - HB3 LYS 65 - HG3 LYS 119 lone 2 77 - 3 - HB2 LYS 65 - HG3 LYS 119 lone 2 77 - 3 - HG2 ARG 92 - HG3 LYS 119 lone 1 73 - 1 - HG3 ARG 92 - HG3 LYS 119 lone 1 69 - 1 - HG12 ILE 124 - HG3 LYS 119 lone 1 60 - 1 - Peak 2967 from cnoeabs.peaks (2.65, 1.33, 24.73 ppm; 3.90 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 46 + HG3 LYS 46 OK 99 100 - 99 - 3.9=98, 2993/1.8=15...(18) HE2 LYS 46 + HG2 LYS 46 OK 99 100 - 99 - 3.9=98, 2993/1.8=15...(18) HG2 GLN 103 + HG3 LYS 46 OK 62 96 - 65 - 2987/2.9=11, 2977/2.9=11...(25) HG2 GLN 103 + HG2 LYS 46 OK 62 96 - 65 - 2987/2.9=11, 2977/2.9=11...(25) HE2 LYS 46 - HG3 LYS 119 OK 27 90 - 30 - 2994=5, 3.0/2974=4...(12) HB3 ASP 123 - HG3 LYS 46 lone 9 99 - 9 - 2987/2.9=2, 2977/2.9=2...(4) HB3 ASP 123 - HG2 LYS 46 lone 9 99 - 9 - 2987/2.9=2, 2977/2.9=2...(4) HG2 GLN 103 - HG3 LYS 119 lone 3 83 - 4 - HB3 ASP 123 - HG3 LYS 119 lone 2 87 - 3 - Peak 2968 from cnoeabs.peaks (2.54, 1.33, 24.73 ppm; 3.81 A): 4 out of 15 assignments used, quality = 1.00: * HE3 LYS 46 + HG3 LYS 46 OK 97 100 - 97 - 3.9=91, 1.8/2993=14...(19) HE3 LYS 46 + HG2 LYS 46 OK 97 100 - 97 - 3.9=91, 1.8/2993=14...(19) HG3 GLN 103 + HG3 LYS 46 OK 52 83 - 63 - 2988/2.9=8, 2978/2.9=8...(25) HG3 GLN 103 + HG2 LYS 46 OK 52 83 - 63 - 2988/2.9=8, 2978/2.9=8...(25) HE2 LYS 65 - HG2 LYS 46 OK 34 73 - 47 - 2978/2.9=5, 2988/2.9=5...(21) HE2 LYS 65 - HG3 LYS 46 OK 34 73 - 47 - 2978/2.9=5, 2988/2.9=5...(21) HE3 LYS 46 - HG3 LYS 119 OK 25 90 - 28 - 1.8/2994=4, 3.0/2973=4...(12) HB3 ASP 36 - HG3 LYS 46 lone 9 97 - 9 - 2978/2.9=2, 2988/2.9=1 HB3 ASP 36 - HG2 LYS 46 lone 9 97 - 9 - 2978/2.9=2, 2988/2.9=1 HG2 GLU 82 - HG3 LYS 46 lone 4 81 - 5 - HG2 GLU 82 - HG2 LYS 46 lone 4 81 - 5 - HG3 GLN 103 - HG3 LYS 119 lone 2 69 - 4 - HB3 ASP 36 - HG3 LYS 119 lone 2 85 - 3 - HE2 LYS 65 - HG3 LYS 119 lone 2 60 - 3 - HG2 GLU 82 - HG3 LYS 119 lone 1 67 - 2 - Peak 2970 from cnoeabs.peaks (3.64, 1.46, 29.42 ppm; 4.88 A): 2 out of 6 assignments used, quality = 0.99: * HA LYS 46 + HD2 LYS 46 OK 98 100 - 98 - 5.2=85, 2980/1.8=19...(29) HA LEU 41 + HD2 LYS 46 OK 54 99 - 54 - 2980/1.8=9, 2930/3.5=8...(19) HA VAL 115 - HD2 LYS 46 OK 39 83 - 48 - 2980/1.8=7, 3.2/7965=6...(17) HA ILE 80 - HD2 LYS 46 OK 28 100 - 28 - 2980/1.8=4, 2930/3.5=4...(8) HD2 PRO 70 - HD2 LYS 46 OK 11 68 - 15 - 2980/1.8=2, 3.0/7253=2...(5) HA LEU 111 - HD2 LYS 46 poor 6 57 - 11 - 4.8/8574=1, 4.0/7911=1 Peak 2971 from cnoeabs.peaks (2.00, 1.46, 29.42 ppm; 3.85 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 3.5=100 HB3 GLN 103 + HD2 LYS 46 OK 69 92 - 75 - 3.0/2977=11, 4736/3.0=11...(34) HB2 LEU 41 - HD2 LYS 46 OK 40 92 - 44 - 3.0/2970=5, 3.1/8263=4...(23) HG LEU 45 - HD2 LYS 46 OK 33 68 - 48 - 2.1/2915=5, 3.0/2887=4...(30) HG LEU 114 - HD2 LYS 46 OK 30 87 - 35 - ~7959=4, 2981/1.8=3...(16) HB3 PRO 68 - HD2 LYS 46 OK 30 92 - 32 - 3.0/6866=4, 3.0/6866=4...(12) HG2 PRO 68 - HD2 LYS 46 OK 29 87 - 33 - 2.3/6866=4, 2.3/6866=4...(12) HB ILE 124 - HD2 LYS 46 OK 27 92 - 29 - 5345/1.8=3, ~5352=2...(16) HB2 MET 11 - HD2 LYS 46 OK 22 96 - 23 - 2936/1.8=2, 2935=2...(12) HB2 LEU 55 - HD2 LYS 46 OK 16 100 - 16 - 3.0/8574=2, 2981/1.8=1 HB3 ARG 53 - HD2 LYS 46 OK 11 71 - 15 - 1.8/2972=1 HB2 ARG 71 - HD2 LYS 46 poor 10 73 - 13 - 3.0/2972=1, 3.0/2972=1 HG2 PRO 60 - HD2 LYS 46 lone 6 100 - 6 - HB2 GLU 94 - HD2 LYS 46 lone 4 100 - 4 - Peak 2972 from cnoeabs.peaks (1.75, 1.46, 29.42 ppm; 3.91 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 3.5=100 HB2 LEU 45 + HD2 LYS 46 OK 59 100 - 59 - 2887=7, 4.3/8583=6...(28) HD2 LYS 109 + HD2 LYS 46 OK 56 97 - 59 - 3.0/2976=5, 2982/1.8=5...(30) HD3 LYS 109 + HD2 LYS 46 OK 54 93 - 58 - 3.0/2976=5, 2982/1.8=5...(30) HG2 GLN 42 - HD2 LYS 46 OK 42 99 - 43 - 3.5/8624=18, 3.5/6791=5...(13) HG3 ARG 71 - HD2 LYS 46 OK 19 100 - 19 - 2982/1.8=1, 2932/3.5=1, ~2982=1 HG2 ARG 71 - HD2 LYS 46 OK 18 99 - 18 - 2982/1.8=1, 2932/3.5=1, ~2982=1 HB2 ARG 53 - HD2 LYS 46 OK 17 97 - 17 - 3132/3.5=2, 2982/1.8=1 HB2 GLU 75 - HD2 LYS 46 OK 11 73 - 15 - 3957=2, 3.0/3975=1, 3.0/3951=1 HB3 ARG 71 - HD2 LYS 46 OK 11 76 - 14 - 4.0/7279=1 HG3 PRO 30 - HD2 LYS 46 lone 9 96 - 9 - HB2 LYS 31 - HD2 LYS 46 poor 9 65 - 13 - 1.8/2420=1 HB2 LEU 91 - HD2 LYS 46 lone 9 89 - 10 - HG LEU 117 - HD2 LYS 46 lone 8 97 - 9 - HB VAL 66 - HD2 LYS 46 lone 7 100 - 7 - 4.0/311=1 HB2 LEU 117 - HD2 LYS 46 lone 6 78 - 8 - Peak 2973 from cnoeabs.peaks (1.33, 1.46, 29.42 ppm; 3.10 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 2.9=100 HG3 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 - HD2 LYS 46 OK 45 100 - 45 - ~6803=6, 2984/1.8=5...(19) HG3 LYS 119 - HD2 LYS 46 OK 34 98 - 35 - 2984/1.8=3, 2.9/5204=3...(17) QG2 THR 17 - HD2 LYS 46 OK 15 100 - 15 - 6338/3.5=2, 6345/5.7=2...(4) QG2 THR 23 - HD2 LYS 46 OK 12 96 - 13 - 4.3/863=2, 3.2/6866=1 HB3 LEU 59 - HD2 LYS 46 lone 6 89 - 7 - HG CYS 87 - HD2 LYS 46 lone 4 90 - 5 - HB3 LEU 84 - HD2 LYS 46 lone 4 85 - 5 - Peak 2974 from cnoeabs.peaks (1.33, 1.46, 29.42 ppm; 3.10 A): 2 out of 9 assignments used, quality = 1.00: HG2 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 2.9=100 * HG3 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 - HD2 LYS 46 OK 45 100 - 45 - ~6803=6, 2984/1.8=5...(19) HG3 LYS 119 - HD2 LYS 46 OK 34 98 - 35 - 2984/1.8=3, 2.9/5204=3...(17) QG2 THR 17 - HD2 LYS 46 OK 15 100 - 15 - 6338/3.5=2, 6345/5.7=2...(4) QG2 THR 23 - HD2 LYS 46 OK 12 96 - 13 - 4.3/863=2, 3.2/6866=1 HB3 LEU 59 - HD2 LYS 46 lone 6 89 - 7 - HG CYS 87 - HD2 LYS 46 lone 4 90 - 5 - HB3 LEU 84 - HD2 LYS 46 lone 4 85 - 5 - Peak 2975 from cnoeabs.peaks (1.46, 1.46, 29.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 46 + HD2 LYS 46 OK 100 100 - 100 Peak 2976 from cnoeabs.peaks (1.53, 1.46, 29.42 ppm; 2.61 A): 1 out of 9 assignments used, quality = 1.00: * HD3 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 1.8=100 HG3 LYS 109 - HD2 LYS 46 OK 25 81 - 32 - 4924=3, ~4915=2...(14) HB3 LYS 65 - HD2 LYS 46 OK 25 90 - 28 - 2996/3.0=2, 3.0/3577=2...(9) HB2 LYS 65 - HD2 LYS 46 OK 25 90 - 28 - 2996/3.0=2, 3.0/3577=2...(9) HB2 LEU 24 - HD2 LYS 46 OK 15 78 - 19 - 1.8/2212=2, 3.0/2198=1...(7) HB3 LEU 114 - HD2 LYS 46 OK 10 63 - 16 - 7943/2.9=1, 7943/2.9=1...(4) HG12 ILE 124 - HD2 LYS 46 poor 8 73 - 11 - HG2 ARG 92 - HD2 LYS 46 lone 2 87 - 2 - HG3 ARG 92 - HD2 LYS 46 lone 2 83 - 2 - Peak 2977 from cnoeabs.peaks (2.65, 1.46, 29.42 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 3.0=100 HG2 GLN 103 + HD2 LYS 46 OK 75 96 - 78 - 2987/1.8=15, 1.8/2978=11...(29) HB3 ASP 123 - HD2 LYS 46 OK 12 99 - 12 - 2987/1.8=3, 2947/3.5=2...(7) Peak 2978 from cnoeabs.peaks (2.54, 1.46, 29.42 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 46 + HD2 LYS 46 OK 100 100 - 100 - 3.0=100 HG3 GLN 103 + HD2 LYS 46 OK 62 83 - 75 - 1.8/2977=14, 2988/1.8=10...(28) HE2 LYS 65 - HD2 LYS 46 OK 43 73 - 58 - 2988/1.8=7, 1.8/3656=6...(28) HB3 ASP 36 - HD2 LYS 46 OK 12 97 - 13 - 4.8/8574=2, 2988/1.8=2...(5) HG2 GLU 82 - HD2 LYS 46 lone 5 81 - 6 - Peak 2980 from cnoeabs.peaks (3.64, 1.53, 29.42 ppm; 4.72 A): 2 out of 6 assignments used, quality = 0.98: * HA LYS 46 + HD3 LYS 46 OK 97 100 - 97 - 5.2=77, 2970/1.8=16...(29) HA LEU 41 + HD3 LYS 46 OK 48 99 - 48 - 2970/1.8=9, 2930/3.5=7...(17) HA VAL 115 - HD3 LYS 46 OK 35 83 - 42 - 2970/1.8=6, 2930/3.5=4...(16) HA ILE 80 - HD3 LYS 46 OK 23 100 - 23 - 2970/1.8=5, 2930/3.5=4...(7) HD2 PRO 70 - HD3 LYS 46 poor 9 68 - 13 - 2970/1.8=2, 2930/3.5=1...(5) HA LEU 111 - HD3 LYS 46 lone 4 57 - 7 - 2970/1.8=1 Peak 2981 from cnoeabs.peaks (2.00, 1.53, 29.42 ppm; 3.85 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 3.5=100 HB3 GLN 103 + HD3 LYS 46 OK 69 92 - 75 - 3.0/2987=11, 4736/3.0=11...(34) HB2 LEU 41 - HD3 LYS 46 OK 37 92 - 41 - 3.0/2980=5, 2971/1.8=4...(22) HG LEU 114 - HD3 LYS 46 OK 31 87 - 35 - ~7959=4, ~7943=3...(17) HG LEU 45 - HD3 LYS 46 OK 30 68 - 44 - 3.0/2982=3, 3.0/2985=3...(28) HB3 PRO 68 - HD3 LYS 46 OK 30 92 - 32 - 3.0/6867=4, 3.0/6867=4...(12) HG2 PRO 68 - HD3 LYS 46 OK 29 87 - 34 - 2.3/6867=4, 2.3/6867=4...(12) HB ILE 124 - HD3 LYS 46 OK 28 92 - 31 - 5345=3, 2971/1.8=2...(15) HB2 MET 11 - HD3 LYS 46 OK 22 96 - 23 - 2936=3, 2971/1.8=2...(12) HB2 LEU 55 - HD3 LYS 46 OK 14 100 - 14 - 2971/1.8=1, ~8574=1 HB3 ARG 53 - HD3 LYS 46 OK 11 71 - 15 - 1.8/2982=1 HB2 ARG 71 - HD3 LYS 46 poor 9 73 - 12 - 3.0/2982=1, 3.0/2982=1 HG2 PRO 60 - HD3 LYS 46 lone 5 100 - 5 - HB2 GLU 94 - HD3 LYS 46 lone 4 100 - 4 - Peak 2982 from cnoeabs.peaks (1.75, 1.53, 29.42 ppm; 4.12 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 3.5=100 HD2 LYS 109 + HD3 LYS 46 OK 61 97 - 64 - 2972/1.8=5, 3.9/4905=5...(35) HD3 LYS 109 + HD3 LYS 46 OK 59 93 - 64 - 2972/1.8=5, 3.9/4905=5...(35) HB2 LEU 45 + HD3 LYS 46 OK 58 100 - 58 - 4.3/978=7, 2887/1.8=6...(28) HG2 GLN 42 - HD3 LYS 46 OK 40 99 - 41 - 3.5/8625=19, 2972/1.8=4...(14) HG3 ARG 71 - HD3 LYS 46 OK 19 100 - 19 - 2972/1.8=2, 2932/3.5=1...(4) HG2 ARG 71 - HD3 LYS 46 OK 18 99 - 19 - 2972/1.8=2, ~2972=1...(4) HB2 ARG 53 - HD3 LYS 46 OK 18 97 - 18 - 3132/3.5=2, 2972/1.8=2 HB3 ARG 71 - HD3 LYS 46 poor 10 76 - 13 - 2972/1.8=1 HB2 GLU 75 - HD3 LYS 46 poor 10 73 - 13 - 3957/1.8=2 HG LEU 117 - HD3 LYS 46 lone 9 97 - 9 - HG3 PRO 30 - HD3 LYS 46 lone 9 96 - 9 - HB2 LEU 91 - HD3 LYS 46 lone 9 89 - 10 - HB VAL 66 - HD3 LYS 46 lone 8 100 - 8 - 4.0/307=2 HB2 LYS 31 - HD3 LYS 46 poor 7 65 - 11 - ~2420=1 HB2 LEU 117 - HD3 LYS 46 lone 7 78 - 9 - Peak 2983 from cnoeabs.peaks (1.33, 1.53, 29.42 ppm; 3.11 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 2.9=100 HG3 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 - HD3 LYS 46 OK 43 100 - 43 - 2.1/6803=8, 2974/1.8=5...(18) HG3 LYS 119 - HD3 LYS 46 OK 31 98 - 32 - 1.8/2985=4, 2974/1.8=4...(12) QG2 THR 17 - HD3 LYS 46 OK 13 100 - 13 - 6338/3.5=2, 6345/5.7=2...(4) QG2 THR 23 - HD3 LYS 46 OK 11 96 - 11 - 2974/1.8=1, 3.2/6867=1 HB3 LEU 59 - HD3 LYS 46 lone 6 89 - 6 - HB3 LEU 84 - HD3 LYS 46 lone 4 85 - 4 - HG CYS 87 - HD3 LYS 46 lone 3 90 - 3 - Peak 2984 from cnoeabs.peaks (1.33, 1.53, 29.42 ppm; 3.11 A): 2 out of 9 assignments used, quality = 1.00: HG2 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 2.9=100 * HG3 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 2.9=100 QB ALA 43 - HD3 LYS 46 OK 43 100 - 43 - 2.1/6803=8, 2974/1.8=5...(18) HG3 LYS 119 - HD3 LYS 46 OK 31 98 - 32 - 1.8/2985=4, 2974/1.8=4...(12) QG2 THR 17 - HD3 LYS 46 OK 13 100 - 13 - 6338/3.5=2, 6345/5.7=2...(4) QG2 THR 23 - HD3 LYS 46 OK 11 96 - 11 - 2974/1.8=1, 3.2/6867=1 HB3 LEU 59 - HD3 LYS 46 lone 6 89 - 6 - HB3 LEU 84 - HD3 LYS 46 lone 4 85 - 4 - HG CYS 87 - HD3 LYS 46 lone 3 90 - 3 - Peak 2985 from cnoeabs.peaks (1.46, 1.53, 29.42 ppm; 2.56 A): 1 out of 16 assignments used, quality = 1.00: * HD2 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 1.8=100 HD2 LYS 65 - HD3 LYS 46 OK 29 92 - 32 - 3.0/2988=2, 3622=2...(14) HD3 LYS 65 - HD3 LYS 46 OK 29 92 - 32 - 3.0/2988=2, 3632=2...(14) HG2 LYS 119 - HD3 LYS 46 OK 26 100 - 26 - 5225/2.9=3, 5225/2.9=3...(7) HG2 LYS 109 - HD3 LYS 46 OK 24 78 - 31 - 4915=4, 2.9/4895=2...(9) HB3 LEU 45 - HD3 LYS 46 OK 22 99 - 23 - 4.3/978=2, 2893/3.5=2...(7) HG LEU 24 - HD3 LYS 46 OK 15 99 - 15 - 2217=2, 2.1/2224=1...(5) QB ALA 14 - HD3 LYS 46 lone 9 99 - 9 - 6306/2.9=2, 6306/2.9=2 HB3 LEU 101 - HD3 LYS 46 lone 6 85 - 7 - HG3 LYS 31 - HD3 LYS 46 lone 4 100 - 4 - HB3 GLU 75 - HD3 LYS 46 lone 4 99 - 4 - HG3 ARG 57 - HD3 LYS 46 lone 2 98 - 2 - HB2 LEU 93 - HD3 LYS 46 lone 2 99 - 2 - HB3 LEU 91 - HD3 LYS 46 lone 2 60 - 3 - HB3 LEU 58 - HD3 LYS 46 lone 2 60 - 3 - QB ALA 89 - HD3 LYS 46 lone 1 87 - 1 - Peak 2986 from cnoeabs.peaks (1.53, 1.53, 29.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 46 + HD3 LYS 46 OK 100 100 - 100 Peak 2987 from cnoeabs.peaks (2.65, 1.53, 29.42 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 3.0=100 HG2 GLN 103 + HD3 LYS 46 OK 74 96 - 77 - 2977/1.8=15, 1.8/2988=11...(30) HB3 ASP 123 - HD3 LYS 46 OK 12 99 - 12 - 2977/1.8=2, 4.2/1413=2...(6) Peak 2988 from cnoeabs.peaks (2.54, 1.53, 29.42 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 46 + HD3 LYS 46 OK 100 100 - 100 - 3.0=100 HG3 GLN 103 + HD3 LYS 46 OK 63 83 - 76 - 1.8/2987=14, 2978/1.8=11...(29) HE2 LYS 65 - HD3 LYS 46 OK 42 73 - 57 - 2978/1.8=7, 1.8/3652=5...(24) HB3 ASP 36 - HD3 LYS 46 OK 11 97 - 11 - 2978/1.8=2, ~2645=2...(4) HG2 GLU 82 - HD3 LYS 46 lone 6 81 - 7 - Peak 2991 from cnoeabs.peaks (2.00, 2.65, 41.63 ppm; 4.85 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 46 + HE2 LYS 46 OK 100 100 - 100 - 4.7=100 HB3 GLN 103 + HE2 LYS 46 OK 81 92 - 88 - 4736=17, 1.8/4728=17...(23) HB2 LEU 41 - HE2 LYS 46 OK 32 92 - 35 - ~2980=4, ~2970=4...(13) HB ILE 124 - HE2 LYS 46 OK 30 92 - 33 - 4.0/636=6, 5345/3.0=3...(14) HG LEU 45 - HE2 LYS 46 OK 28 68 - 41 - 3.0/2992=4, 3.0/2995=4...(18) HB3 PRO 68 - HE2 LYS 46 OK 25 92 - 27 - ~8276=3, ~6866=3...(13) HG2 PRO 68 - HE2 LYS 46 OK 24 87 - 28 - ~6867=4, ~6866=4...(12) HG LEU 114 - HE2 LYS 46 OK 22 87 - 26 - 2981/3.0=3, 2971/3.0=3...(12) HB2 MET 11 - HE2 LYS 46 OK 20 96 - 21 - 2937=3, 2936/3.0=2...(8) HB2 LEU 55 - HE2 LYS 46 OK 12 100 - 12 - 2971/3.0=2, ~8574=2...(5) HB3 ARG 53 - HE2 LYS 46 poor 10 71 - 13 - 1.8/2992=2, ~2982=1...(6) HB2 ARG 71 - HE2 LYS 46 poor 9 73 - 13 - 3.0/2992=1, 3.0/2992=1 HB2 GLU 94 - HE2 LYS 46 lone 5 100 - 5 - HG2 PRO 60 - HE2 LYS 46 lone 5 100 - 5 - Peak 2992 from cnoeabs.peaks (1.75, 2.65, 41.63 ppm; 4.68 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 46 + HE2 LYS 46 OK 99 100 - 99 - 4.7=97, 2.9/2994=15...(20) HD2 LYS 109 + HE2 LYS 46 OK 51 97 - 54 - 2982/3.0=5, 2972/3.0=5...(26) HD3 LYS 109 + HE2 LYS 46 OK 50 93 - 53 - 2982/3.0=5, 2972/3.0=5...(26) HB2 LEU 45 + HE2 LYS 46 OK 47 100 - 47 - 4.3/8580=7, 2887/3.0=6...(21) HG2 GLN 42 - HE2 LYS 46 OK 21 99 - 21 - 2972/3.0=4, 2982/3.0=3...(8) HG3 ARG 71 - HE2 LYS 46 OK 15 100 - 14 - 2972/3.0=2, 2982/3.0=2...(6) HG2 ARG 71 - HE2 LYS 46 OK 14 99 - 14 - 2972/3.0=2, 2982/3.0=2...(6) HB2 ARG 53 - HE2 LYS 46 OK 14 97 - 14 - 3132/4.7=2, 2972/3.0=2...(4) HB2 GLU 75 - HE2 LYS 46 poor 9 73 - 12 - 3957/3.0=1, 1.8/2995=1 HB3 ARG 71 - HE2 LYS 46 poor 8 76 - 10 - HG3 PRO 30 - HE2 LYS 46 lone 7 96 - 7 - HG LEU 117 - HE2 LYS 46 lone 6 97 - 7 - HB2 LEU 91 - HE2 LYS 46 lone 6 89 - 7 - HB2 LYS 31 - HE2 LYS 46 lone 6 65 - 9 - HB VAL 66 - HE2 LYS 46 lone 5 100 - 5 - HB2 LEU 117 - HE2 LYS 46 lone 4 78 - 6 - Peak 2993 from cnoeabs.peaks (1.33, 2.65, 41.63 ppm; 3.43 A): 2 out of 9 assignments used, quality = 0.97: * HG2 LYS 46 + HE2 LYS 46 OK 84 100 - 84 - 3.9=67, 3004/1.8=10...(18) HG3 LYS 46 + HE2 LYS 46 OK 84 100 - 84 - 3.9=67, 3004/1.8=10...(18) QB ALA 43 - HE2 LYS 46 OK 34 100 - 34 - ~6803=5, 2974/3.0=4...(11) HG3 LYS 119 - HE2 LYS 46 OK 23 98 - 23 - 2974/3.0=3, 1.8/2995=3...(10) QG2 THR 17 - HE2 LYS 46 OK 10 100 - 10 - 6338/4.7=2, 6345/7.5=1...(6) QG2 THR 23 - HE2 LYS 46 lone 7 96 - 7 - 2974/3.0=1, 2983/3.0=1 HB3 LEU 59 - HE2 LYS 46 lone 3 89 - 3 - HG CYS 87 - HE2 LYS 46 lone 2 90 - 3 - HB3 LEU 84 - HE2 LYS 46 lone 2 85 - 2 - Peak 2994 from cnoeabs.peaks (1.33, 2.65, 41.63 ppm; 3.43 A): 2 out of 9 assignments used, quality = 0.97: HG2 LYS 46 + HE2 LYS 46 OK 84 100 - 84 - 3.9=67, 3004/1.8=10...(18) * HG3 LYS 46 + HE2 LYS 46 OK 84 100 - 84 - 3.9=67, 3004/1.8=10...(18) QB ALA 43 - HE2 LYS 46 OK 34 100 - 34 - ~6803=5, 2974/3.0=4...(11) HG3 LYS 119 - HE2 LYS 46 OK 23 98 - 23 - 2974/3.0=3, 1.8/2995=3...(10) QG2 THR 17 - HE2 LYS 46 OK 10 100 - 10 - 6338/4.7=2, 6345/7.5=1...(6) QG2 THR 23 - HE2 LYS 46 lone 7 96 - 7 - 2974/3.0=1, 2983/3.0=1 HB3 LEU 59 - HE2 LYS 46 lone 3 89 - 3 - HG CYS 87 - HE2 LYS 46 lone 2 90 - 3 - HB3 LEU 84 - HE2 LYS 46 lone 2 85 - 2 - Peak 2995 from cnoeabs.peaks (1.46, 2.65, 41.63 ppm; 3.75 A): 3 out of 16 assignments used, quality = 1.00: * HD2 LYS 46 + HE2 LYS 46 OK 100 100 - 100 - 3.0=100 HD2 LYS 65 + HE2 LYS 46 OK 57 92 - 62 - 3628/1.8=5, 3.0/2998=5...(36) HD3 LYS 65 + HE2 LYS 46 OK 57 92 - 62 - 3628/1.8=5, 3.0/2998=5...(36) HG2 LYS 119 - HE2 LYS 46 OK 37 100 - 37 - 5225/3.9=4, 5225/3.9=4...(20) HB3 LEU 45 - HE2 LYS 46 OK 34 99 - 34 - 4.3/8580=4, 1.8/2992=3...(18) HG2 LYS 109 - HE2 LYS 46 OK 30 78 - 39 - 1.8/2996=4, 4915/3.0=4...(21) HG LEU 24 - HE2 LYS 46 OK 19 99 - 19 - 2217/3.0=3, 3.0/2996=2...(9) QB ALA 14 - HE2 LYS 46 OK 14 99 - 14 - 6306/3.9=3, 6306/3.9=3...(6) HB3 LEU 101 - HE2 LYS 46 poor 9 85 - 10 - HB3 GLU 75 - HE2 LYS 46 lone 8 99 - 8 - HG3 LYS 31 - HE2 LYS 46 lone 7 100 - 7 - HG3 ARG 57 - HE2 LYS 46 lone 3 98 - 3 - HB2 LEU 93 - HE2 LYS 46 lone 3 99 - 3 - HB3 LEU 91 - HE2 LYS 46 lone 3 60 - 4 - QB ALA 89 - HE2 LYS 46 lone 2 87 - 2 - HB3 LEU 58 - HE2 LYS 46 lone 2 60 - 3 - Peak 2996 from cnoeabs.peaks (1.53, 2.65, 41.63 ppm; 3.69 A): 3 out of 9 assignments used, quality = 1.00: * HD3 LYS 46 + HE2 LYS 46 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HE2 LYS 46 OK 46 90 - 51 - 2976/3.0=4, 4.0/8581=4...(28) HB2 LYS 65 + HE2 LYS 46 OK 46 90 - 51 - 2976/3.0=4, 4.0/8581=4...(28) HG3 LYS 109 - HE2 LYS 46 OK 31 81 - 39 - 2976/3.0=4, 3006/1.8=3...(22) HB2 LEU 24 - HE2 LYS 46 OK 16 78 - 21 - 2976/3.0=3, ~2212=2...(8) HG12 ILE 124 - HE2 LYS 46 OK 13 73 - 18 - 4.9/636=3, 3.0/2991=1...(8) HB3 LEU 114 - HE2 LYS 46 OK 13 63 - 20 - 7943/3.9=3, 7943/3.9=3...(10) HG2 ARG 92 - HE2 LYS 46 lone 3 87 - 3 - HG3 ARG 92 - HE2 LYS 46 lone 3 83 - 3 - Peak 2997 from cnoeabs.peaks (2.65, 2.65, 41.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 46 + HE2 LYS 46 OK 100 100 - 100 Peak 2998 from cnoeabs.peaks (2.54, 2.65, 41.63 ppm; 2.48 A): 1 out of 5 assignments used, quality = 1.00: * HE3 LYS 46 + HE2 LYS 46 OK 100 100 - 100 - 1.8=100 HG3 GLN 103 - HE2 LYS 46 OK 38 83 - 46 - 4752=11, 3.0/4736=4...(19) HE2 LYS 65 - HE2 LYS 46 OK 21 73 - 28 - 3007=6, ~3658=2, ~3649=2...(9) HB3 ASP 36 - HE2 LYS 46 lone 4 97 - 4 - HG2 GLU 82 - HE2 LYS 46 lone 3 81 - 3 - Peak 3000 from cnoeabs.peaks (3.64, 2.54, 41.63 ppm; 5.17 A): 3 out of 12 assignments used, quality = 0.97: * HA LYS 46 + HE3 LYS 46 OK 91 100 - 91 - 6.1=61, 2980/3.0=17...(18) HA LEU 41 + HE3 LYS 46 OK 43 99 - 43 - 2980/3.0=8, 2970/3.0=8...(13) HA LYS 46 + HE2 LYS 65 OK 41 69 - 60 - 6859/3.8=9, 6859/3.8=9...(19) HA VAL 115 - HE3 LYS 46 OK 26 83 - 32 - 2970/3.0=6, 2980/3.0=6...(10) HA ILE 80 - HE3 LYS 46 OK 23 100 - 23 - 2970/3.0=4, 2980/3.0=4...(8) HD2 PRO 70 - HE3 LYS 46 poor 8 68 - 12 - 2970/3.0=2, 2980/3.0=2...(4) HA LEU 41 - HE2 LYS 65 lone 5 68 - 7 - HA LEU 111 - HE3 LYS 46 lone 4 57 - 8 - HA ILE 80 - HE2 LYS 65 lone 4 69 - 6 - HA VAL 115 - HE2 LYS 65 lone 2 51 - 4 - HD2 PRO 70 - HE2 LYS 65 lone 1 40 - 3 - HA LEU 111 - HE2 LYS 65 lone 1 33 - 3 - Peak 3001 from cnoeabs.peaks (2.00, 2.54, 41.63 ppm; 4.62 A): 2 out of 28 assignments used, quality = 1.00: * HB2 LYS 46 + HE3 LYS 46 OK 98 100 - 98 - 4.7=93, 2.9/3003=12...(20) HB3 GLN 103 + HE3 LYS 46 OK 78 92 - 85 - 4736/1.8=17, ~4728=13...(23) HB2 LYS 46 - HE2 LYS 65 OK 45 69 - 64 - 3.5/2978=7, 3.5/2988=7...(26) HB2 LEU 41 - HE3 LYS 46 OK 31 92 - 34 - 3.0/3000=5, ~2980=4...(13) HB3 PRO 68 - HE3 LYS 46 OK 27 92 - 30 - 3.0/8276=4, 3.0/8276=4...(11) HG2 PRO 68 - HE3 LYS 46 OK 26 87 - 30 - 2.3/8276=5, 2.3/8276=5...(11) HG LEU 45 - HE3 LYS 46 OK 25 68 - 37 - ~2915=3, 3.0/3002=3...(18) HB ILE 124 - HE3 LYS 46 OK 24 92 - 26 - 5345/3.0=3, 2991/1.8=3...(13) HB ILE 124 - HE2 LYS 65 OK 23 58 - 39 - 5345/5.0=5, 5345/5.0=5...(11) HG LEU 114 - HE3 LYS 46 OK 21 87 - 25 - 2981/3.0=3, 2971/3.0=3...(13) HB2 MET 11 - HE3 LYS 46 OK 18 96 - 19 - 2938=3, 2936/3.0=2...(8) HB2 LEU 55 - HE3 LYS 46 OK 12 100 - 12 - 3.0/8274=2, 2971/3.0=1...(5) HB3 ARG 53 - HE3 LYS 46 poor 9 71 - 13 - 1.8/3002=1, ~2992=1...(6) HB2 ARG 71 - HE3 LYS 46 poor 9 73 - 12 - 3.0/3002=1, 3.0/3002=1 HG LEU 45 - HE2 LYS 65 poor 5 40 - 14 - 2901/3.0=1, 2901/3.0=1...(7) HG2 PRO 60 - HE3 LYS 46 lone 5 100 - 5 - HB2 GLU 94 - HE3 LYS 46 lone 5 100 - 5 - HB3 GLN 103 - HE2 LYS 65 lone 4 58 - 8 - 4733/5.9=2 HB2 LEU 41 - HE2 LYS 65 lone 3 58 - 5 - HG LEU 114 - HE2 LYS 65 lone 3 54 - 5 - 5078/5.9=2, 5.2/5681=1 HB2 MET 11 - HE2 LYS 65 lone 2 62 - 3 - HB2 GLU 94 - HE2 LYS 65 lone 2 69 - 2 - HG2 PRO 68 - HE2 LYS 65 lone 2 54 - 3 - HB3 PRO 68 - HE2 LYS 65 lone 2 58 - 3 - HB2 LEU 55 - HE2 LYS 65 lone 2 69 - 2 - HG2 PRO 60 - HE2 LYS 65 lone 1 68 - 1 - HB2 ARG 71 - HE2 LYS 65 lone 1 44 - 2 - HB3 ARG 53 - HE2 LYS 65 lone 1 42 - 2 - Peak 3002 from cnoeabs.peaks (1.75, 2.54, 41.63 ppm; 4.43 A): 3 out of 32 assignments used, quality = 0.99: * HB3 LYS 46 + HE3 LYS 46 OK 95 100 - 95 - 4.7=82, 2.9/3003=11...(20) HD2 LYS 109 + HE3 LYS 46 OK 49 97 - 51 - 2992/1.8=5, 2982/3.0=5...(25) HD3 LYS 109 + HE3 LYS 46 OK 47 93 - 51 - 2992/1.8=5, 2982/3.0=5...(25) HB2 LEU 45 - HE3 LYS 46 OK 43 100 - 43 - 2887/3.0=5, 4.3/8579=5...(19) HB3 LYS 46 - HE2 LYS 65 OK 42 69 - 60 - 3.5/2978=6, 3.5/2988=6...(26) HG2 GLN 42 - HE3 LYS 46 OK 21 99 - 22 - 2972/3.0=3, 2982/3.0=3...(9) HB2 LEU 45 - HE2 LYS 65 OK 14 69 - 20 - 6839/3.8=3, 6839/3.8=3...(7) HG3 ARG 71 - HE3 LYS 46 OK 14 100 - 14 - 2972/3.0=2, 2982/3.0=1...(6) HG2 ARG 71 - HE3 LYS 46 OK 13 99 - 13 - 2972/3.0=2, 2982/3.0=1...(6) HB2 ARG 53 - HE3 LYS 46 OK 13 97 - 13 - 3132/4.7=1, 2972/3.0=1...(4) HB2 GLU 75 - HE3 LYS 46 poor 8 73 - 11 - 3957/3.0=1 HB3 ARG 71 - HE3 LYS 46 lone 7 76 - 9 - HG LEU 117 - HE3 LYS 46 lone 6 97 - 7 - HG3 PRO 30 - HE3 LYS 46 lone 6 96 - 7 - HB2 LEU 91 - HE3 LYS 46 lone 6 89 - 6 - HB VAL 66 - HE3 LYS 46 lone 6 100 - 6 - HG2 GLN 42 - HE2 LYS 65 lone 6 66 - 8 - 6800/3.8=1, 6800/3.8=1 HD2 LYS 109 - HE2 LYS 65 lone 5 63 - 9 - HB2 GLU 75 - HE2 LYS 65 poor 5 44 - 12 - 3957/3.0=2, 3957/3.0=2...(6) HB2 LYS 31 - HE3 LYS 46 lone 5 65 - 8 - HD3 LYS 109 - HE2 LYS 65 lone 5 60 - 8 - HB2 LEU 117 - HE3 LYS 46 lone 5 78 - 6 - HG LEU 117 - HE2 LYS 65 lone 4 63 - 7 - 8016/5.9=2, 7996/4696=1 HB2 LEU 91 - HE2 LYS 65 lone 4 55 - 8 - 4382/3.0=1, 4382/3.0=1 HB VAL 66 - HE2 LYS 65 lone 4 69 - 6 - 4.0/5681=3, 4698/4696=1 HG3 PRO 30 - HE2 LYS 65 lone 2 62 - 4 - HB2 LEU 117 - HE2 LYS 65 lone 2 47 - 5 - 6238/5.9=2, 7994/4696=1 HG3 ARG 71 - HE2 LYS 65 lone 1 68 - 2 - HG2 ARG 71 - HE2 LYS 65 lone 1 66 - 2 - HB2 ARG 53 - HE2 LYS 65 lone 1 64 - 2 - HB2 LYS 31 - HE2 LYS 65 lone 1 38 - 2 - HB3 ARG 71 - HE2 LYS 65 lone 1 45 - 2 - Peak 3003 from cnoeabs.peaks (1.33, 2.54, 41.63 ppm; 3.40 A): 2 out of 18 assignments used, quality = 0.97: * HG2 LYS 46 + HE3 LYS 46 OK 84 100 - 84 - 3.9=65, 2993/1.8=12...(18) HG3 LYS 46 + HE3 LYS 46 OK 84 100 - 84 - 3.9=65, 2993/1.8=12...(18) QB ALA 43 - HE3 LYS 46 OK 35 100 - 35 - ~6803=5, 2993/1.8=5...(11) HG2 LYS 46 - HE2 LYS 65 OK 26 69 - 38 - 2.9/2978=4, 2.9/2988=4...(15) HG3 LYS 46 - HE2 LYS 65 OK 26 69 - 38 - 2.9/2978=4, 2.9/2988=4...(15) HG3 LYS 119 - HE3 LYS 46 OK 22 98 - 22 - 2994/1.8=3, 2974/3.0=3...(10) QG2 THR 17 - HE3 LYS 46 OK 12 100 - 12 - 6338/4.7=2, 2994/1.8=1...(6) QG2 THR 23 - HE3 LYS 46 lone 7 96 - 7 - 2973/3.0=1, 2983/3.0=1 HB3 LEU 59 - HE3 LYS 46 lone 3 89 - 3 - HG CYS 87 - HE3 LYS 46 lone 2 90 - 3 - HB3 LEU 84 - HE3 LYS 46 lone 2 85 - 3 - QB ALA 43 - HE2 LYS 65 lone 2 68 - 3 - HG3 LYS 119 - HE2 LYS 65 lone 2 65 - 3 - QG2 THR 17 - HE2 LYS 65 lone 1 69 - 2 - HG CYS 87 - HE2 LYS 65 lone 1 57 - 1 - QG2 THR 23 - HE2 LYS 65 lone 1 62 - 1 - HB3 LEU 59 - HE2 LYS 65 lone 0 55 - 1 - HB3 LEU 84 - HE2 LYS 65 lone 0 52 - 1 - Peak 3004 from cnoeabs.peaks (1.33, 2.54, 41.63 ppm; 3.40 A): 2 out of 18 assignments used, quality = 0.97: HG2 LYS 46 + HE3 LYS 46 OK 84 100 - 84 - 3.9=65, 2993/1.8=12...(18) * HG3 LYS 46 + HE3 LYS 46 OK 84 100 - 84 - 3.9=65, 2993/1.8=12...(18) QB ALA 43 - HE3 LYS 46 OK 35 100 - 35 - ~6803=5, 2993/1.8=5...(11) HG2 LYS 46 - HE2 LYS 65 OK 26 69 - 38 - 2.9/2978=4, 2.9/2988=4...(15) HG3 LYS 46 - HE2 LYS 65 OK 26 69 - 38 - 2.9/2978=4, 2.9/2988=4...(15) HG3 LYS 119 - HE3 LYS 46 OK 22 98 - 22 - 2994/1.8=3, 2974/3.0=3...(10) QG2 THR 17 - HE3 LYS 46 OK 12 100 - 12 - 6338/4.7=2, 2994/1.8=1...(6) QG2 THR 23 - HE3 LYS 46 lone 7 96 - 7 - 2973/3.0=1, 2983/3.0=1 HB3 LEU 59 - HE3 LYS 46 lone 3 89 - 3 - HG CYS 87 - HE3 LYS 46 lone 2 90 - 3 - HB3 LEU 84 - HE3 LYS 46 lone 2 85 - 3 - QB ALA 43 - HE2 LYS 65 lone 2 68 - 3 - HG3 LYS 119 - HE2 LYS 65 lone 2 65 - 3 - QG2 THR 17 - HE2 LYS 65 lone 1 69 - 2 - HG CYS 87 - HE2 LYS 65 lone 1 57 - 1 - QG2 THR 23 - HE2 LYS 65 lone 1 62 - 1 - HB3 LEU 59 - HE2 LYS 65 lone 0 55 - 1 - HB3 LEU 84 - HE2 LYS 65 lone 0 52 - 1 - Peak 3005 from cnoeabs.peaks (1.46, 2.54, 41.63 ppm; 3.39 A): 5 out of 32 assignments used, quality = 1.00: * HD2 LYS 46 + HE3 LYS 46 OK 100 100 - 100 - 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 58 58 - 100 - 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 58 58 - 100 - 3.0=100 HD3 LYS 65 + HE3 LYS 46 OK 46 92 - 50 - 2995/1.8=5, 3638=4...(28) HD2 LYS 65 + HE3 LYS 46 OK 46 92 - 50 - 2995/1.8=5, 3638=4...(28) HD2 LYS 46 - HE2 LYS 65 OK 34 69 - 49 - 2978=6, 1.8/2988=5...(25) HG2 LYS 119 - HE3 LYS 46 OK 32 100 - 32 - 2985/3.0=3, 5225/3.9=3...(16) HB3 LEU 45 - HE3 LYS 46 OK 28 99 - 28 - 4.3/8579=3, 2985/3.0=3...(14) HG2 LYS 109 - HE3 LYS 46 OK 25 78 - 33 - 4915/3.0=3, 1.8/3006=3...(17) HG LEU 24 - HE3 LYS 46 OK 15 99 - 16 - 2217/3.0=2, 2995/1.8=1...(6) QB ALA 14 - HE3 LYS 46 OK 12 99 - 12 - 6306/3.9=2, 6306/3.9=2...(6) HB3 LEU 101 - HE2 LYS 65 poor 8 52 - 14 - 4663/3.8=2, 4663/3.8=2...(4) HB3 GLU 75 - HE3 LYS 46 lone 7 99 - 7 - HB3 LEU 45 - HE2 LYS 65 poor 7 66 - 11 - 6840/3.8=2, 6840/3.8=2 HB3 LEU 101 - HE3 LYS 46 lone 7 85 - 8 - HG3 LYS 31 - HE3 LYS 46 lone 6 100 - 5 - HB3 GLU 75 - HE2 LYS 65 lone 5 66 - 8 - 4699/4696=1 HB2 LEU 93 - HE2 LYS 65 lone 3 67 - 5 - 7610/3.8=1, 7610/3.8=1 QB ALA 89 - HE2 LYS 65 lone 3 54 - 6 - HG3 ARG 57 - HE3 LYS 46 lone 3 98 - 3 - HG2 LYS 109 - HE2 LYS 65 lone 2 47 - 5 - HB2 LEU 93 - HE3 LYS 46 lone 2 99 - 2 - HG LEU 24 - HE2 LYS 65 lone 2 66 - 3 - HB3 LEU 91 - HE3 LYS 46 lone 2 60 - 3 - HG2 LYS 119 - HE2 LYS 65 lone 2 69 - 2 - QB ALA 89 - HE3 LYS 46 lone 2 87 - 2 - HB3 LEU 58 - HE3 LYS 46 lone 2 60 - 3 - HB3 LEU 91 - HE2 LYS 65 lone 1 35 - 4 - QB ALA 14 - HE2 LYS 65 lone 1 67 - 2 - HG3 ARG 57 - HE2 LYS 65 lone 1 65 - 1 - HG3 LYS 31 - HE2 LYS 65 lone 1 68 - 1 - HB3 LEU 58 - HE2 LYS 65 lone 1 35 - 2 - Peak 3006 from cnoeabs.peaks (1.53, 2.54, 41.63 ppm; 3.67 A): 1 out of 18 assignments used, quality = 1.00: * HD3 LYS 46 + HE3 LYS 46 OK 100 100 - 100 - 3.0=100 HB2 LYS 65 - HE3 LYS 46 OK 44 90 - 49 - 2996/1.8=6, 2976/3.0=4...(25) HB3 LYS 65 - HE3 LYS 46 OK 44 90 - 49 - 2996/1.8=6, 2976/3.0=4...(25) HB2 LYS 65 - HE2 LYS 65 OK 44 57 - 77 - 5.0=40, ~3655=7, ~3654=7...(24) HB3 LYS 65 - HE2 LYS 65 OK 44 57 - 77 - 5.0=40, ~3655=7, ~3654=7...(24) HD3 LYS 46 - HE2 LYS 65 OK 37 69 - 54 - 2988=8, 1.8/2978=7...(23) HG3 LYS 109 - HE3 LYS 46 OK 33 81 - 41 - 2976/3.0=4, 2996/1.8=4...(23) HB2 LEU 24 - HE3 LYS 46 OK 16 78 - 21 - 2976/3.0=3, 2996/1.8=2...(6) HB3 LEU 114 - HE3 LYS 46 OK 13 63 - 21 - 7943/3.9=3, 7943/3.9=3...(8) HG12 ILE 124 - HE3 LYS 46 OK 12 73 - 16 - 2996/1.8=2, 2976/3.0=1...(7) HG12 ILE 124 - HE2 LYS 65 poor 6 44 - 15 - 5358/3.8=2, 5358/3.8=2...(6) HG2 ARG 92 - HE3 LYS 46 lone 3 87 - 4 - HG3 ARG 92 - HE3 LYS 46 lone 3 83 - 3 - HG3 LYS 109 - HE2 LYS 65 lone 3 49 - 6 - HB2 LEU 24 - HE2 LYS 65 lone 2 47 - 4 - HB3 LEU 114 - HE2 LYS 65 lone 2 36 - 5 - HG2 ARG 92 - HE2 LYS 65 lone 1 54 - 1 - HG3 ARG 92 - HE2 LYS 65 lone 1 51 - 1 - Peak 3007 from cnoeabs.peaks (2.65, 2.54, 41.63 ppm; 2.44 A): 1 out of 6 assignments used, quality = 1.00: * HE2 LYS 46 + HE3 LYS 46 OK 100 100 - 100 - 1.8=100 HG2 GLN 103 - HE3 LYS 46 OK 41 96 - 43 - 4745=9, ~4752=4...(19) HE2 LYS 46 - HE2 LYS 65 OK 19 69 - 27 - 2998=6, ~3658=2, ~3649=2...(9) HB3 ASP 123 - HE3 LYS 46 lone 4 99 - 4 - HG2 GLN 103 - HE2 LYS 65 lone 1 62 - 2 - HB3 ASP 123 - HE2 LYS 65 lone 0 66 - 0 - Peak 3008 from cnoeabs.peaks (2.54, 2.54, 41.63 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 46 + HE3 LYS 46 OK 100 100 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 Peak 3009 from cnoeabs.peaks (7.92, 4.58, 53.17 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 H ASP 47 - HA GLU 69 OK 43 97 - 45 - 6894/3.0=10, 982=8...(14) H SER 44 - HA ASP 47 OK 17 73 - 23 - 207/3.6=6, 4.6/965=4...(7) H SER 44 - HA GLU 69 poor 8 67 - 12 - 4.0/6875=3, 962/3.8=3, 4.6/965=3 Peak 3010 from cnoeabs.peaks (4.58, 4.58, 53.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 47 + HA ASP 47 OK 100 100 - 100 HA GLU 69 + HA GLU 69 OK 97 97 - 100 Peak 3011 from cnoeabs.peaks (3.54, 4.58, 53.17 ppm; 3.88 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 HB2 ASP 47 - HA GLU 69 OK 31 97 - 32 - 3014=9, 1.8/3012=7...(10) HD2 PRO 60 - HA ASP 47 OK 24 98 - 24 - 3019/3.0=5, ~6872=4...(10) HA ASN 118 - HA ASP 47 OK 15 99 - 15 - 6263=3, 3019/3.0=2...(8) HA LEU 51 - HA ASP 47 lone 7 85 - 8 - 209/3.6=4, 983/3.0=1, 3019/3.0=1 HD2 PRO 60 - HA GLU 69 lone 6 93 - 7 - 3431/4.8=3 HB2 PHE 96 - HA ASP 47 lone 3 65 - 5 - HB2 PHE 96 - HA GLU 69 lone 3 60 - 5 - ~8736=3 HA LEU 51 - HA GLU 69 lone 3 79 - 3 - ~1612=2 HA ASN 118 - HA GLU 69 lone 2 94 - 2 - HB2 PHE 83 - HA ASP 47 lone 1 68 - 2 - HB2 PHE 83 - HA GLU 69 lone 1 62 - 1 - Peak 3012 from cnoeabs.peaks (2.59, 4.58, 53.17 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 HB3 ASP 47 - HA GLU 69 OK 30 97 - 31 - 3018=9, 1.8/3014=6...(10) HB3 ASP 97 - HA ASP 47 OK 23 96 - 24 - ~7648=10, 7647/3.0=7...(5) HB3 ASP 97 - HA GLU 69 lone 2 90 - 2 - Peak 3013 from cnoeabs.peaks (7.92, 3.54, 41.31 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 4.0=100 H SER 44 - HB2 ASP 47 poor 10 73 - 13 - 207/4.2=6, 3017/1.8=3 Peak 3014 from cnoeabs.peaks (4.58, 3.54, 41.31 ppm; 3.83 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 3.0=100 HA GLU 69 - HB2 ASP 47 OK 31 100 - 31 - 3011=8, 3012/1.8=7...(10) HA LEU 45 - HB2 ASP 47 OK 21 93 - 23 - 982/4.0=5, 3018/1.8=4...(8) HB THR 121 - HB2 ASP 47 OK 12 85 - 13 - 2.1/8092=3, 6264=2...(5) HA TRP 20 - HB2 ASP 47 lone 7 90 - 8 - 3018/1.8=1, 208/4.2=1 HA ASN 99 - HB2 ASP 47 lone 3 76 - 4 - ~7675=1 Peak 3015 from cnoeabs.peaks (3.54, 3.54, 41.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 Peak 3016 from cnoeabs.peaks (2.59, 3.54, 41.31 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 1.8=100 HB3 ASP 97 - HB2 ASP 47 OK 24 96 - 25 - 1.8/7648=10, 7647=5...(7) Peak 3017 from cnoeabs.peaks (7.92, 2.59, 41.31 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 4.0=100 H SER 44 - HB3 ASP 47 poor 9 73 - 12 - 207/4.2=5, 3013/1.8=3 Peak 3018 from cnoeabs.peaks (4.58, 2.59, 41.31 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 3.0=100 HA GLU 69 - HB3 ASP 47 OK 29 100 - 29 - 3012=8, 3014/1.8=6...(10) HA LEU 45 - HB3 ASP 47 OK 18 93 - 19 - 982/4.0=5, 3014/1.8=4...(7) HB THR 121 - HB3 ASP 47 lone 6 85 - 7 - 3014/1.8=2, ~8092=2 HA TRP 20 - HB3 ASP 47 lone 5 90 - 6 - 3014/1.8=1 HA ASN 99 - HB3 ASP 47 lone 4 76 - 5 - 3.6/7691=1, 3.0/7675=1 Peak 3019 from cnoeabs.peaks (3.54, 2.59, 41.31 ppm; 3.27 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 1.8=100 HD2 PRO 60 - HB3 ASP 47 OK 20 98 - 20 - ~6872=4, ~6871=3...(10) HA ASN 118 - HB3 ASP 47 lone 10 99 - 10 - 6263/3.0=2, ~6871=2...(5) HA LEU 51 - HB3 ASP 47 lone 4 85 - 5 - 209/4.2=2 HB2 PHE 96 - HB3 ASP 47 lone 3 65 - 5 - 4.3/1257=2 HB2 PHE 83 - HB3 ASP 47 lone 1 68 - 1 - Peak 3020 from cnoeabs.peaks (2.59, 2.59, 41.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB3 ASP 47 OK 100 100 - 100 Peak 3021 from cnoeabs.peaks (7.77, 3.58, 48.06 ppm; 4.31 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 48 + HA2 GLY 48 OK 100 100 - 100 - 3.0=100 H ILE 124 - HA2 GLY 48 OK 17 95 - 18 - 3024/1.8=6, 4.7/6885=4...(5) H LEU 45 - HA2 GLY 48 OK 14 89 - 16 - 3024/1.8=4, ~2877=3...(5) H LEU 91 - HA2 GLY 48 lone 2 81 - 2 - Peak 3022 from cnoeabs.peaks (3.58, 3.58, 48.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 48 + HA2 GLY 48 OK 100 100 - 100 Peak 3023 from cnoeabs.peaks (4.25, 3.58, 48.06 ppm; 3.93 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 48 + HA2 GLY 48 OK 100 100 - 100 - 1.8=100 HB THR 19 - HA2 GLY 48 OK 26 100 - 26 - 3.0/6893=5, 987/3.0=4...(9) HA VAL 26 - HA2 GLY 48 OK 20 65 - 31 - 3.2/6886=8, 3.2/6886=7...(9) HA CYS 52 - HA2 GLY 48 poor 8 68 - 12 - 213/3.6=5, 3.0/225=2...(4) HA LEU 58 - HA2 GLY 48 lone 7 99 - 7 - 987/3.0=2, ~3355=1 HA THR 17 - HA2 GLY 48 lone 4 95 - 4 - HA ALA 89 - HA2 GLY 48 lone 3 100 - 3 - HA ALA 122 - HA2 GLY 48 lone 3 73 - 3 - 8095/3.0=1 HA GLU 94 - HA2 GLY 48 lone 2 73 - 3 - HA GLU 64 - HA2 GLY 48 lone 2 96 - 2 - HA GLN 103 - HA2 GLY 48 lone 1 63 - 2 - Peak 3024 from cnoeabs.peaks (7.77, 4.25, 48.06 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 48 + HA3 GLY 48 OK 100 100 - 100 - 3.0=100 H ILE 124 - HA3 GLY 48 OK 24 95 - 25 - 3021/1.8=6, 8111=6...(6) H LEU 45 - HA3 GLY 48 OK 17 89 - 19 - 3021/1.8=5, ~2877=4...(6) H LEU 91 - HA3 GLY 48 lone 3 81 - 3 - Peak 3025 from cnoeabs.peaks (3.58, 4.25, 48.06 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 48 + HA3 GLY 48 OK 100 100 - 100 - 1.8=100 HA LEU 51 - HA3 GLY 48 OK 21 78 - 27 - 2.9/6895=6, 4.0/6891=5...(8) HA GLU 75 - HA3 GLY 48 OK 10 100 - 10 - 212/3.6=2, 986/3.0=2...(5) HD2 PRO 70 - HA3 GLY 48 poor 6 60 - 11 - 7274/3.6=3, 986/3.0=2 HA2 GLY 39 - HA3 GLY 48 lone 4 78 - 5 - 212/3.6=1 HA LEU 111 - HA3 GLY 48 lone 3 71 - 4 - Peak 3026 from cnoeabs.peaks (4.25, 4.25, 48.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 48 + HA3 GLY 48 OK 100 100 - 100 Peak 3027 from cnoeabs.peaks (8.25, 3.26, 68.05 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 49 + HA VAL 49 OK 100 100 - 100 - 3.0=100 H GLU 69 - HA VAL 49 OK 28 97 - 29 - 3037/3.2=8, 7240/3.2=6...(7) H TRP 20 - HA VAL 49 lone 4 68 - 6 - H ASP 100 - HA VAL 49 lone 3 63 - 5 - Peak 3028 from cnoeabs.peaks (3.26, 3.26, 68.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 49 + HA VAL 49 OK 100 100 - 100 Peak 3029 from cnoeabs.peaks (2.19, 3.26, 68.05 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 49 + HA VAL 49 OK 100 100 - 100 - 3.0=100 HB VAL 26 - HA VAL 49 OK 41 99 - 42 - 3033=10, 216/3.6=7...(13) HG2 PRO 37 - HA VAL 49 OK 26 92 - 28 - 3039/3.2=4, 2.3/3033=3...(9) HG12 ILE 80 - HA VAL 49 OK 20 73 - 27 - 1.8/3030=4, 990/3.0=4...(11) HB3 PRO 37 - HA VAL 49 OK 16 63 - 26 - 3033=4, 3039/3.2=2...(10) HB2 GLU 73 - HA VAL 49 lone 10 100 - 10 - 216/3.6=2, 3039/3.2=2, 990/3.0=1 Peak 3030 from cnoeabs.peaks (0.88, 3.26, 68.05 ppm; 3.07 A): 1 out of 8 assignments used, quality = 0.93: * QG1 VAL 49 + HA VAL 49 OK 93 100 - 93 - 3.2=88, 991/3.0=12...(10) QD2 LEU 41 - HA VAL 49 OK 18 99 - 18 - 3035/3.0=2, ~6903=2...(7) QD2 LEU 126 - HA VAL 49 OK 15 97 - 16 - 5422/3.2=2, 3035/3.0=2...(6) HG13 ILE 80 - HA VAL 49 OK 14 95 - 15 - 991/3.0=3, 1.8/3029=2...(6) QD1 LEU 117 - HA VAL 49 OK 13 65 - 19 - ~8493=3, ~6896=2, 3043=2...(9) QD1 LEU 126 - HA VAL 49 poor 9 68 - 13 - 5416/3.2=2, ~6904=1 QD1 ILE 124 - HA VAL 49 lone 5 100 - 5 - 991/3.0=2 QD2 LEU 59 - HA VAL 49 lone 4 100 - 4 - Peak 3031 from cnoeabs.peaks (0.92, 3.26, 68.05 ppm; 3.05 A): 2 out of 11 assignments used, quality = 0.94: * QG2 VAL 49 + HA VAL 49 OK 92 100 - 92 - 3.2=87, 992/3.0=12...(14) QD1 LEU 117 + HA VAL 49 OK 25 97 - 26 - 3043=5, 992/3.0=3...(8) QD1 LEU 41 - HA VAL 49 OK 18 96 - 19 - 3041/3.2=2, ~6903=2...(6) QD1 LEU 55 - HA VAL 49 OK 18 92 - 19 - 3043=4, 992/3.0=2...(6) QD1 ILE 63 - HA VAL 49 OK 15 81 - 18 - 3.2/6900=3, 7147/6039=2...(6) QD1 LEU 126 - HA VAL 49 OK 13 96 - 14 - 5416/3.2=3, ~6904=1, 992/3.0=1 QD2 LEU 27 - HA VAL 49 OK 10 100 - 10 - 218/3.6=1, 992/3.0=1 QG2 ILE 22 - HA VAL 49 lone 9 100 - 9 - QD1 LEU 27 - HA VAL 49 lone 9 99 - 9 - QG2 VAL 115 - HA VAL 49 lone 7 100 - 7 - HB2 GLN 42 - HA VAL 49 lone 6 100 - 6 - 6824/6820=1 Peak 3032 from cnoeabs.peaks (8.25, 2.19, 31.42 ppm; 3.79 A): 1 out of 12 assignments used, quality = 0.95: * H VAL 49 + HB VAL 49 OK 95 100 - 95 - 3.9=88, 3037/2.1=22...(9) H VAL 49 - HB VAL 26 OK 25 82 - 30 - 990=8, 3.0/3033=6...(9) H GLU 69 - HB VAL 49 OK 25 97 - 26 - 3037/2.1=10, 3042/2.1=7...(4) H VAL 49 - HB3 PRO 37 poor 7 50 - 13 - 990/2.3=3, 3.0/3033=3...(6) H TRP 20 - HB VAL 49 lone 3 68 - 4 - H GLU 69 - HB VAL 26 lone 3 76 - 4 - H ASP 100 - HB VAL 49 lone 2 63 - 3 - H TRP 20 - HB VAL 26 lone 1 49 - 2 - H ASP 100 - HB3 PRO 37 lone 1 25 - 3 - 1724/2.3=1 H ASP 100 - HB VAL 26 lone 1 45 - 2 - H GLU 69 - HB3 PRO 37 lone 1 45 - 2 - H TRP 20 - HB3 PRO 37 lone 1 27 - 3 - 1556/3.0=1 Peak 3033 from cnoeabs.peaks (3.26, 2.19, 31.42 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 49 + HB VAL 49 OK 100 100 - 100 - 3.0=100 HA VAL 49 - HB VAL 26 OK 36 82 - 44 - 3029=10, 3.6/216=8...(15) HA VAL 49 - HB3 PRO 37 OK 16 50 - 31 - 3029/2.3=5, 3029=4...(12) Peak 3034 from cnoeabs.peaks (2.19, 2.19, 31.42 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB VAL 49 + HB VAL 49 OK 100 100 - 100 HB VAL 26 + HB VAL 26 OK 79 79 - 100 HB3 PRO 37 - HB3 PRO 37 OK 25 25 - 100 Peak 3035 from cnoeabs.peaks (0.88, 2.19, 31.42 ppm; 3.08 A): 1 out of 24 assignments used, quality = 1.00: * QG1 VAL 49 + HB VAL 49 OK 100 100 - 100 - 2.1=100 QG1 VAL 49 - HB VAL 26 OK 25 82 - 31 - 3039=8, 3.2/3033=3...(12) QD2 LEU 41 - HB VAL 49 OK 19 99 - 20 - ~6903=3, 3030/3.0=2...(9) QD2 LEU 126 - HB VAL 49 OK 19 97 - 19 - 5422/2.1=3, 3030/3.0=2...(8) HG13 ILE 80 - HB VAL 49 OK 18 95 - 19 - 3030/3.0=2, 991/3.9=2...(9) QD1 LEU 117 - HB VAL 49 OK 14 65 - 21 - ~8493=4, 3030/3.0=2...(9) QD1 LEU 126 - HB VAL 49 OK 11 68 - 16 - 5416/2.1=3, ~6904=2...(7) QG1 VAL 49 - HB3 PRO 37 poor 10 50 - 20 - 3039=3, 3039/2.3=3...(6) QD2 LEU 41 - HB VAL 26 lone 8 79 - 10 - 6768/4.4=3, ~6752=2, ~6750=1 HG13 ILE 80 - HB VAL 26 lone 7 73 - 10 - ~7403=3, 8346/2.1=2...(4) QD1 ILE 124 - HB VAL 49 lone 6 100 - 6 - 991/3.9=1 QD2 LEU 59 - HB VAL 49 lone 5 100 - 5 - QD2 LEU 126 - HB VAL 26 lone 4 77 - 5 - 5418/3.0=1 QD1 LEU 117 - HB VAL 26 lone 3 47 - 7 - ~8227=2, ~8222=2 QD1 LEU 117 - HB3 PRO 37 poor 3 26 - 11 - QD2 LEU 41 - HB3 PRO 37 lone 3 48 - 5 - 2805/3.9=2 QD1 LEU 126 - HB VAL 26 lone 2 49 - 4 - QD1 ILE 124 - HB VAL 26 lone 2 81 - 2 - QD1 ILE 124 - HB3 PRO 37 lone 1 49 - 3 - HG13 ILE 80 - HB3 PRO 37 lone 1 43 - 3 - QD2 LEU 59 - HB VAL 26 lone 1 82 - 1 - QD2 LEU 59 - HB3 PRO 37 lone 0 50 - 1 - QD2 LEU 126 - HB3 PRO 37 lone 0 46 - 1 - QD1 LEU 126 - HB3 PRO 37 lone 0 27 - 1 - Peak 3036 from cnoeabs.peaks (0.92, 2.19, 31.42 ppm; 3.03 A): 1 out of 33 assignments used, quality = 1.00: * QG2 VAL 49 + HB VAL 49 OK 100 100 - 100 - 2.1=100 QD1 LEU 117 - HB VAL 49 OK 25 97 - 26 - ~8493=4, 3041/2.1=4...(9) QD2 LEU 27 - HB VAL 26 OK 22 82 - 27 - 4.4/95=6, 6527/2.1=4...(10) QG2 VAL 49 - HB VAL 26 OK 22 82 - 27 - 2.1/3039=5, 3044=4...(10) QD1 LEU 27 - HB VAL 26 OK 20 80 - 25 - 4.4/95=6, ~6518=3...(11) QD1 LEU 41 - HB VAL 49 OK 17 96 - 18 - 3041/2.1=3, ~6903=2...(7) QD1 LEU 126 - HB VAL 49 OK 15 96 - 16 - 5416/2.1=4, ~6904=2...(6) QD1 LEU 55 - HB VAL 49 OK 15 92 - 16 - 3043/3.0=3, 3044=2...(6) QG2 ILE 22 - HB VAL 26 OK 12 81 - 15 - 2155/3.0=3, 6492/3.9=2...(7) QD2 LEU 27 - HB VAL 49 OK 10 100 - 10 - 4.4/95=1, 3041/2.1=1...(4) QD1 ILE 63 - HB VAL 49 poor 9 81 - 12 - 3031/3.0=2, 3041/2.1=1...(5) QG2 VAL 49 - HB3 PRO 37 poor 9 50 - 19 - 3044/2.3=2, 2.1/3039=2...(6) QD1 LEU 27 - HB VAL 49 lone 8 99 - 8 - 4.4/95=1, 3041/2.1=1 QD1 LEU 117 - HB VAL 26 lone 7 76 - 9 - ~8227=2, ~8222=2, 3044=1 QG2 ILE 22 - HB VAL 49 lone 6 100 - 6 - QD1 LEU 41 - HB VAL 26 lone 6 74 - 8 - 879/4.4=1, ~6752=1, ~6750=1 QD1 LEU 117 - HB3 PRO 37 poor 6 45 - 13 - 6909/2.3=1, 3044/2.3=1 QD1 LEU 55 - HB VAL 26 lone 5 70 - 7 - 3044=1 QD1 ILE 63 - HB VAL 26 lone 4 59 - 8 - 7146/3.0=1 QG2 VAL 115 - HB VAL 49 lone 4 100 - 4 - HB2 GLN 42 - HB VAL 26 lone 4 82 - 5 - 2833/4.4=1 HB2 GLN 42 - HB VAL 49 lone 4 100 - 4 - QD1 ILE 63 - HB3 PRO 37 poor 3 34 - 10 - 3534/2.3=2, 7126/3.9=1 QD1 LEU 126 - HB VAL 26 lone 3 74 - 5 - QD1 LEU 55 - HB3 PRO 37 lone 3 41 - 7 - QG2 VAL 115 - HB VAL 26 lone 2 81 - 3 - QD2 LEU 27 - HB3 PRO 37 lone 2 49 - 4 - 4.4/95=1 QD1 LEU 41 - HB3 PRO 37 lone 2 44 - 4 - 2812/3.9=2 QD1 LEU 27 - HB3 PRO 37 lone 2 48 - 3 - 4.4/95=1 QG2 VAL 115 - HB3 PRO 37 lone 1 49 - 2 - HB2 GLN 42 - HB3 PRO 37 lone 1 49 - 1 - QG2 ILE 22 - HB3 PRO 37 lone 1 49 - 1 - QD1 LEU 126 - HB3 PRO 37 lone 0 44 - 1 - Peak 3037 from cnoeabs.peaks (8.25, 0.88, 21.00 ppm; 3.88 A): 1 out of 4 assignments used, quality = 0.97: * H VAL 49 + QG1 VAL 49 OK 97 100 - 97 - 4.0=90, 990/2.1=23...(12) H GLU 69 - QG1 VAL 49 OK 42 97 - 43 - 7240/2.1=8, 3.9/7226=6...(11) H TRP 20 - QG1 VAL 49 lone 4 68 - 6 - H ASP 100 - QG1 VAL 49 lone 2 63 - 4 - Peak 3038 from cnoeabs.peaks (3.26, 0.88, 21.00 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 49 + QG1 VAL 49 OK 100 100 - 100 - 3.2=100 Peak 3039 from cnoeabs.peaks (2.19, 0.88, 21.00 ppm; 3.11 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 49 + QG1 VAL 49 OK 100 100 - 100 - 2.1=100 HB VAL 26 - QG1 VAL 49 OK 29 99 - 29 - 3035=5, 3033/3.2=4...(12) HG2 PRO 37 - QG1 VAL 49 OK 17 92 - 19 - 3044/2.1=2, 3029/3.2=2...(6) HG12 ILE 80 - QG1 VAL 49 OK 15 73 - 20 - 2.1/4102=2, 990/4.0=2...(10) HB3 PRO 37 - QG1 VAL 49 OK 11 63 - 17 - 3035=2, 3033/3.2=2...(5) HB2 GLU 73 - QG1 VAL 49 lone 8 100 - 8 - Peak 3040 from cnoeabs.peaks (0.88, 0.88, 21.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 49 + QG1 VAL 49 OK 100 100 - 100 Peak 3041 from cnoeabs.peaks (0.92, 0.88, 21.00 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * QG2 VAL 49 + QG1 VAL 49 OK 100 100 - 100 - 2.1=100 QD1 LEU 117 - QG1 VAL 49 OK 19 97 - 20 - 2.1/8493=5, 3045=3...(5) QD1 LEU 41 - QG1 VAL 49 OK 17 96 - 17 - 2817=3, 2.1/6903=2...(6) QD1 LEU 126 - QG1 VAL 49 OK 16 96 - 16 - 5416=5, 2.1/5409=2...(5) QD1 LEU 55 - QG1 VAL 49 OK 11 92 - 12 - 3045=2, 3043/3.2=2...(4) QD1 ILE 63 - QG1 VAL 49 lone 7 81 - 9 - 2.1/6903=1 QD2 LEU 27 - QG1 VAL 49 lone 7 100 - 7 - QD1 LEU 27 - QG1 VAL 49 lone 6 99 - 6 - QG2 ILE 22 - QG1 VAL 49 lone 5 100 - 5 - HB2 GLN 42 - QG1 VAL 49 lone 3 100 - 3 - QG2 VAL 115 - QG1 VAL 49 lone 3 100 - 3 - Peak 3042 from cnoeabs.peaks (8.25, 0.92, 23.68 ppm; 3.37 A): 6 out of 12 assignments used, quality = 0.94: * H VAL 49 + QG2 VAL 49 OK 82 100 - 82 - 4.0=59, 991/2.1=18...(10) H GLU 69 + QG2 VAL 49 OK 34 97 - 35 - 3037/2.1=8, 7240=6...(10) H VAL 49 + QD1 LEU 117 OK 18 80 - 22 - 992=6, 3.0/3043=4...(6) H GLU 69 + QD1 LEU 55 OK 14 84 - 17 - 324/2.1=4, 7240=3...(7) H VAL 49 + QD1 LEU 55 OK 14 90 - 16 - 992=4, 3.0/3043=4...(6) H GLU 69 + QD1 LEU 117 OK 10 73 - 14 - 7240=3, 4.8/6906=2...(5) H TRP 20 - QG2 VAL 49 lone 4 68 - 6 - H TRP 20 - QD1 LEU 55 lone 3 55 - 6 - 4.2/6375=1 H ASP 100 - QG2 VAL 49 lone 2 63 - 3 - H TRP 20 - QD1 LEU 117 lone 1 47 - 2 - H ASP 100 - QD1 LEU 55 lone 0 51 - 1 - H ASP 100 - QD1 LEU 117 lone 0 43 - 1 - Peak 3043 from cnoeabs.peaks (3.26, 0.92, 23.68 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 49 + QG2 VAL 49 OK 100 100 - 100 - 3.2=100 HA VAL 49 - QD1 LEU 117 OK 28 80 - 36 - 3031=6, ~8493=4...(12) HA VAL 49 - QD1 LEU 55 OK 23 90 - 26 - 3031=4, 6911/4.6=3...(8) Peak 3044 from cnoeabs.peaks (2.19, 0.92, 23.68 ppm; 3.25 A): 1 out of 18 assignments used, quality = 1.00: * HB VAL 49 + QG2 VAL 49 OK 100 100 - 100 - 2.1=100 HB VAL 26 - QG2 VAL 49 OK 29 99 - 30 - 3039/2.1=5, 3033/3.2=4...(13) HB VAL 49 - QD1 LEU 117 OK 24 80 - 31 - ~8493=5, 2.1/3041=4...(13) HG2 PRO 37 - QG2 VAL 49 OK 20 92 - 22 - 3039/2.1=3, 3029/3.2=2...(6) HB VAL 49 - QD1 LEU 55 OK 16 90 - 18 - 3.0/3043=3, 2.1/3041=2...(6) HG12 ILE 80 - QG2 VAL 49 OK 13 73 - 18 - 3039/2.1=3, 990/4.0=2...(10) HB3 PRO 37 - QG2 VAL 49 OK 12 63 - 19 - 3039/2.1=2, 2.3/6909=2...(6) HG2 PRO 37 - QD1 LEU 117 OK 12 68 - 18 - 1.8/6909=2, 2686/3.1=1...(4) HB VAL 26 - QD1 LEU 117 poor 8 76 - 11 - ~8227=2, ~8222=2, 6501/2.1=1 HB VAL 26 - QD1 LEU 55 lone 7 87 - 8 - HB2 GLU 73 - QG2 VAL 49 lone 7 100 - 7 - 3039/2.1=2 HG2 PRO 37 - QD1 LEU 55 lone 6 78 - 8 - 1.8/6909=1 HB3 PRO 37 - QD1 LEU 117 poor 6 43 - 15 - 2.3/6909=1, 6501/2.1=1 HB3 PRO 37 - QD1 LEU 55 lone 4 51 - 8 - HG12 ILE 80 - QD1 LEU 55 lone 3 60 - 5 - HB2 GLU 73 - QD1 LEU 55 lone 2 89 - 2 - HG12 ILE 80 - QD1 LEU 117 lone 1 51 - 2 - HB2 GLU 73 - QD1 LEU 117 lone 1 79 - 1 - Peak 3045 from cnoeabs.peaks (0.88, 0.92, 23.68 ppm; 2.40 A): 1 out of 23 assignments used, quality = 1.00: * QG1 VAL 49 + QG2 VAL 49 OK 100 100 - 100 - 2.1=100 QG1 VAL 49 - QD1 LEU 117 OK 16 80 - 21 - 3041=5, 8493/2.1=5...(5) QD2 LEU 126 - QG2 VAL 49 OK 16 97 - 17 - 5422=4, 3035/2.1=1...(5) QD2 LEU 41 - QG2 VAL 49 OK 13 99 - 13 - 3035/2.1=1, ~6903=1, 3030/3.2=1 QG1 VAL 49 - QD1 LEU 55 OK 11 90 - 13 - 3041=3, 3.2/3043=2...(4) QD2 LEU 59 - QD1 LEU 55 poor 10 90 - 11 - 3423/2.1=1 QD1 LEU 117 - QG2 VAL 49 poor 9 65 - 14 - ~8493=2, 2.1/5170=2, 2.1/5156=1 HG13 ILE 80 - QG2 VAL 49 lone 9 95 - 10 - 3035/2.1=1, 3030/3.2=1 QD1 LEU 126 - QG2 VAL 49 poor 9 68 - 13 - 2.1/5422=2, 5416/2.1=2 QD2 LEU 59 - QD1 LEU 117 poor 9 80 - 11 - ~7084=1, ~8554=1, ~8014=1 QD2 LEU 41 - QD1 LEU 55 lone 6 87 - 7 - QD1 LEU 117 - QD1 LEU 55 lone 4 53 - 8 - 2.1/5170=1 QD1 ILE 124 - QG2 VAL 49 lone 3 100 - 3 - QD2 LEU 126 - QD1 LEU 55 lone 3 85 - 4 - QD1 ILE 124 - QD1 LEU 55 lone 3 89 - 4 - QD2 LEU 59 - QG2 VAL 49 lone 3 100 - 3 - QD2 LEU 126 - QD1 LEU 117 lone 3 74 - 4 - 5422=1 QD2 LEU 41 - QD1 LEU 117 lone 2 77 - 3 - QD1 ILE 124 - QD1 LEU 117 lone 2 78 - 2 - HG13 ILE 80 - QD1 LEU 55 lone 2 81 - 2 - QD1 LEU 126 - QD1 LEU 55 lone 2 55 - 3 - QD1 LEU 126 - QD1 LEU 117 lone 2 47 - 4 - HG13 ILE 80 - QD1 LEU 117 lone 1 71 - 1 - Peak 3046 from cnoeabs.peaks (0.92, 0.92, 23.68 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 VAL 49 + QG2 VAL 49 OK 100 100 - 100 QD1 LEU 55 + QD1 LEU 55 OK 78 78 - 100 QD1 LEU 117 + QD1 LEU 117 OK 73 73 - 100 Peak 3047 from cnoeabs.peaks (8.85, 3.39, 66.83 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.0=100 H ASN 108 - HA VAL 50 OK 32 99 - 32 - 4.6/6049=7, 3062/3.2=5...(10) H ALA 14 - HA VAL 50 OK 21 100 - 21 - 3062/3.2=4, 3052/3.0=4...(7) Peak 3048 from cnoeabs.peaks (3.39, 3.39, 66.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 50 + HA VAL 50 OK 100 100 - 100 Peak 3049 from cnoeabs.peaks (1.88, 3.39, 66.83 ppm; 4.44 A): 1 out of 15 assignments used, quality = 1.00: * HB VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.0=100 HG LEU 55 - HA VAL 50 OK 43 100 - 43 - 2.1/7015=12, 3.0/6047=7...(14) HB2 LYS 119 - HA VAL 50 OK 20 100 - 19 - 8032/3.2=5, 221/3.6=2...(6) HG LEU 84 - HA VAL 50 OK 14 100 - 14 - 221/3.6=3, 3064/3.2=2...(5) HB3 GLU 73 - HA VAL 50 OK 13 68 - 19 - 1.8/6915=3, ~8739=2...(9) HB3 GLU 28 - HA VAL 50 OK 13 92 - 14 - 3064/3.2=2, 3059/3.2=1...(6) HB3 LYS 31 - HA VAL 50 OK 12 100 - 12 - 1.8/6045=2, 3064/3.2=1 HB2 LEU 84 - HA VAL 50 OK 12 87 - 14 - 221/3.6=2, 3064/3.2=1...(4) HB2 GLU 28 - HA VAL 50 OK 12 85 - 14 - 3064/3.2=2, ~3064=1...(6) HB ILE 22 - HA VAL 50 OK 11 73 - 15 - 3.9/66=6 HB2 LEU 58 - HA VAL 50 lone 9 95 - 9 - 1.8/5992=1 HB2 ARG 81 - HA VAL 50 poor 8 76 - 11 - 4.3/5601=2, 221/3.6=1 HG3 PRO 68 - HA VAL 50 lone 8 92 - 9 - 995/3.0=2, 8297/3.2=1 HB2 ARG 92 - HA VAL 50 lone 6 98 - 6 - 1.8/8288=1 HB3 LYS 109 - HA VAL 50 lone 4 85 - 5 - Peak 3050 from cnoeabs.peaks (0.57, 3.39, 66.83 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.2=100 QD2 LEU 45 - HA VAL 50 OK 41 96 - 43 - 3058=8, 3065/3.2=6...(13) QD2 LEU 77 - HA VAL 50 OK 19 99 - 19 - 3055/3.0=3, 3065/3.2=3...(8) HG12 ILE 34 - HA VAL 50 OK 13 90 - 15 - 222/3.6=4, 3055/3.0=2...(6) Peak 3051 from cnoeabs.peaks (1.13, 3.39, 66.83 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.2=100 QD2 LEU 117 - HA VAL 50 OK 35 100 - 35 - 997/3.0=5, 3056/3.0=4...(13) HB3 LEU 54 - HA VAL 50 OK 33 81 - 41 - 4.0/6049=8, 3.1/6991=7...(13) QG2 THR 62 - HA VAL 50 OK 13 68 - 20 - 7112=5, 4.0/5601=2...(6) QG2 VAL 120 - HA VAL 50 OK 12 96 - 13 - 3056/3.0=2, 997/3.0=1...(4) Peak 3052 from cnoeabs.peaks (8.85, 1.88, 30.83 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 50 + HB VAL 50 OK 100 100 - 100 - 4.0=100 H ASN 108 - HB VAL 50 OK 22 99 - 22 - 3062/2.1=6, 3047/3.0=6...(5) H ALA 14 - HB VAL 50 OK 16 100 - 15 - 3062/2.1=5, 3047/3.0=4...(4) Peak 3053 from cnoeabs.peaks (3.39, 1.88, 30.83 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 50 + HB VAL 50 OK 100 100 - 100 - 3.0=100 HA LEU 21 - HB VAL 50 OK 42 99 - 43 - 3063/2.1=11, 3058/2.1=9...(8) HA2 GLY 86 - HB VAL 50 OK 21 85 - 24 - 3063/2.1=4, 220/4.5=3...(8) Peak 3054 from cnoeabs.peaks (1.88, 1.88, 30.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 50 + HB VAL 50 OK 100 100 - 100 Peak 3055 from cnoeabs.peaks (0.57, 1.88, 30.83 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 50 + HB VAL 50 OK 100 100 - 100 - 2.1=100 QD2 LEU 45 - HB VAL 50 OK 38 96 - 40 - 3065/2.1=8, 3059=6...(13) QD2 LEU 77 - HB VAL 50 OK 20 99 - 21 - 3065/2.1=4, ~4016=3...(9) HG12 ILE 34 - HB VAL 50 OK 13 90 - 14 - 3065/2.1=2, 222/4.5=2...(8) Peak 3056 from cnoeabs.peaks (1.13, 1.88, 30.83 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 50 + HB VAL 50 OK 100 100 - 100 - 2.1=100 QD2 LEU 117 - HB VAL 50 OK 31 100 - 31 - 3051/3.0=5, 3061/2.1=4...(13) HB3 LEU 54 - HB VAL 50 OK 31 81 - 38 - 3061/2.1=5, ~8281=5...(14) QG2 VAL 120 - HB VAL 50 OK 14 96 - 15 - 3061/2.1=2, 3051/3.0=2...(8) QG2 THR 62 - HB VAL 50 OK 11 68 - 17 - 7112/3.0=4, 7114=2...(8) Peak 3057 from cnoeabs.peaks (8.85, 0.57, 21.11 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 50 + QG1 VAL 50 OK 100 100 - 100 - 4.0=100 H VAL 50 - QD2 LEU 45 OK 28 78 - 35 - 996=10, 3.0/3050=8...(6) H ASN 108 - QG1 VAL 50 OK 27 99 - 27 - 3062/2.1=6, 3052/2.1=5...(7) H ALA 14 - QG1 VAL 50 OK 17 100 - 17 - 3062/2.1=5, 3052/2.1=4...(4) H ALA 14 - QD2 LEU 45 lone 4 78 - 5 - H ASN 108 - QD2 LEU 45 lone 4 76 - 5 - Peak 3058 from cnoeabs.peaks (3.39, 0.57, 21.11 ppm; 3.25 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 50 + QG1 VAL 50 OK 100 100 - 100 - 3.2=100 HA LEU 21 - QG1 VAL 50 OK 34 99 - 35 - 3063/2.1=8, 3.7/6511=8...(11) HA VAL 50 - QD2 LEU 45 OK 31 78 - 40 - 3050=10, 3.2/3065=6...(13) HA LEU 21 - QD2 LEU 45 OK 13 75 - 17 - 3.7/6511=4, 2103/2.1=3...(7) HA2 GLY 86 - QG1 VAL 50 OK 12 85 - 14 - 3063/2.1=3, 3053/2.1=2...(7) HA2 GLY 86 - QD2 LEU 45 lone 2 60 - 3 - Peak 3059 from cnoeabs.peaks (1.88, 0.57, 21.11 ppm; 3.19 A): 1 out of 30 assignments used, quality = 1.00: * HB VAL 50 + QG1 VAL 50 OK 100 100 - 100 - 2.1=100 HB VAL 50 - QD2 LEU 45 OK 32 78 - 41 - 3055=10, 2.1/3065=8...(13) HG LEU 55 - QG1 VAL 50 OK 20 100 - 20 - 3064/2.1=4, ~7015=3...(7) HB2 LYS 119 - QG1 VAL 50 OK 12 100 - 12 - 8032/2.1=3, 2.9/8283=1...(4) HB3 GLU 28 - QG1 VAL 50 poor 10 92 - 11 - 3.8/6542=3, 3064/2.1=2 HB2 GLU 28 - QG1 VAL 50 poor 10 85 - 12 - 3.8/6542=3, 3064/2.1=2, ~3064=1 HG LEU 84 - QG1 VAL 50 lone 9 100 - 9 - 3064/2.1=1, 221/4.3=1 HB3 GLU 73 - QG1 VAL 50 poor 7 68 - 11 - 1.8/8535=2, ~6923=1...(5) HB2 LEU 84 - QG1 VAL 50 lone 7 87 - 8 - 1.8/8283=1 HB2 LYS 119 - QD2 LEU 45 lone 6 78 - 8 - HB3 LYS 31 - QG1 VAL 50 lone 6 100 - 6 - HB2 LEU 58 - QG1 VAL 50 lone 6 95 - 6 - HB2 ARG 81 - QG1 VAL 50 lone 5 76 - 7 - 4.0/7432=2 HB3 LYS 31 - QD2 LEU 45 lone 5 78 - 6 - HB2 LEU 58 - QD2 LEU 45 lone 5 69 - 7 - HG3 PRO 68 - QG1 VAL 50 lone 4 92 - 5 - HB ILE 22 - QG1 VAL 50 lone 4 73 - 6 - HG LEU 84 - QD2 LEU 45 lone 4 78 - 5 - ~6841=1 HG LEU 55 - QD2 LEU 45 lone 3 78 - 4 - HB3 LYS 109 - QG1 VAL 50 lone 3 85 - 3 - HB2 ARG 92 - QG1 VAL 50 lone 2 98 - 2 - HB2 LEU 84 - QD2 LEU 45 lone 2 62 - 4 - HG3 PRO 68 - QD2 LEU 45 lone 2 66 - 3 - HB3 LYS 109 - QD2 LEU 45 lone 2 60 - 3 - HB2 ARG 81 - QD2 LEU 45 lone 2 52 - 3 - HB3 GLU 73 - QD2 LEU 45 lone 1 46 - 3 - HB ILE 22 - QD2 LEU 45 lone 1 50 - 2 - HB2 GLU 28 - QD2 LEU 45 lone 1 60 - 2 - HB3 GLU 28 - QD2 LEU 45 lone 1 66 - 1 - HB2 ARG 92 - QD2 LEU 45 lone 0 74 - 1 - Peak 3060 from cnoeabs.peaks (0.57, 0.57, 21.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 50 + QG1 VAL 50 OK 100 100 - 100 QD2 LEU 45 + QD2 LEU 45 OK 71 71 - 100 Peak 3061 from cnoeabs.peaks (1.13, 0.57, 21.11 ppm; 2.72 A): 1 out of 10 assignments used, quality = 1.00: * QG2 VAL 50 + QG1 VAL 50 OK 100 100 - 100 - 2.1=100 QG2 VAL 50 - QD2 LEU 45 OK 27 78 - 35 - 3065=10, 2.1/3055=5...(12) HB3 LEU 54 - QG1 VAL 50 OK 24 81 - 30 - 3.1/6511=5, 4.0/8237=5...(13) QD2 LEU 117 - QG1 VAL 50 OK 20 100 - 20 - 3056/2.1=3, 3051/3.2=3...(7) QG2 VAL 120 - QG1 VAL 50 lone 9 96 - 9 - 3056/2.1=1, 2.1/6921=1 QG2 THR 62 - QG1 VAL 50 lone 6 68 - 8 - 7112/3.2=2, 3056/2.1=1 QD2 LEU 117 - QD2 LEU 45 lone 4 78 - 6 - HB3 LEU 54 - QD2 LEU 45 lone 4 56 - 7 - 3.1/6511=1, 4.0/8237=1 QG2 VAL 120 - QD2 LEU 45 lone 3 71 - 4 - QG2 THR 62 - QD2 LEU 45 lone 1 46 - 1 - Peak 3062 from cnoeabs.peaks (8.85, 1.13, 23.11 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.87: * H VAL 50 + QG2 VAL 50 OK 83 100 - 83 - 4.0=56, 3.0/3063=19...(9) H ASN 108 + QG2 VAL 50 OK 15 99 - 15 - 3052/2.1=4, 3057/2.1=4...(5) H ALA 14 + QG2 VAL 50 OK 12 100 - 12 - 3052/2.1=3, 3057/2.1=2...(4) Peak 3063 from cnoeabs.peaks (3.39, 1.13, 23.11 ppm; 3.13 A): 1 out of 3 assignments used, quality = 0.96: * HA VAL 50 + QG2 VAL 50 OK 96 100 - 96 - 3.2=94, 3.0/3062=18...(6) HA LEU 21 - QG2 VAL 50 OK 32 99 - 32 - 3.7/6412=6, 3058/2.1=5...(12) HA2 GLY 86 - QG2 VAL 50 OK 12 85 - 14 - 3053/2.1=2, 3058/2.1=2...(6) Peak 3064 from cnoeabs.peaks (1.88, 1.13, 23.11 ppm; 3.32 A): 1 out of 15 assignments used, quality = 1.00: * HB VAL 50 + QG2 VAL 50 OK 100 100 - 100 - 2.1=100 HG LEU 55 - QG2 VAL 50 OK 26 100 - 26 - 8297=3, ~7015=3...(10) HB2 LYS 119 - QG2 VAL 50 OK 15 100 - 15 - 8032=3, 1.8/8035=2...(6) HB3 GLU 28 - QG2 VAL 50 OK 13 92 - 14 - 3.8/6543=7, 3059/2.1=1 HB2 GLU 28 - QG2 VAL 50 OK 12 85 - 14 - 3.8/6543=7, 3059/2.1=1 HG LEU 84 - QG2 VAL 50 lone 9 100 - 9 - 3059/2.1=1, 221/4.3=1 HB3 GLU 73 - QG2 VAL 50 poor 8 68 - 11 - 1.8/6923=2, ~8535=1, ~8739=1 HB2 LEU 84 - QG2 VAL 50 lone 7 87 - 8 - HG3 PRO 68 - QG2 VAL 50 lone 6 92 - 7 - HB3 LYS 31 - QG2 VAL 50 lone 6 100 - 6 - HB2 LEU 58 - QG2 VAL 50 lone 5 95 - 5 - HB2 ARG 81 - QG2 VAL 50 lone 4 76 - 6 - 4.3/5604=1 HB ILE 22 - QG2 VAL 50 lone 4 73 - 6 - HB3 LYS 109 - QG2 VAL 50 lone 3 85 - 3 - HB2 ARG 92 - QG2 VAL 50 lone 3 98 - 3 - Peak 3065 from cnoeabs.peaks (0.57, 1.13, 23.11 ppm; 2.69 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 50 + QG2 VAL 50 OK 100 100 - 100 - 2.1=100 QD2 LEU 45 - QG2 VAL 50 OK 31 96 - 33 - 3061=7, 3055/2.1=5...(12) QD2 LEU 77 - QG2 VAL 50 OK 15 99 - 15 - 3055/2.1=3, ~4016=2...(6) HG12 ILE 34 - QG2 VAL 50 poor 9 90 - 10 - 3055/2.1=2, 222/4.3=2 Peak 3066 from cnoeabs.peaks (1.13, 1.13, 23.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 50 + QG2 VAL 50 OK 100 100 - 100 Peak 3067 from cnoeabs.peaks (8.42, 3.56, 57.49 ppm; 4.54 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 51 + HA LEU 51 OK 100 100 - 100 - 2.9=100 H ILE 63 - HA LEU 51 OK 27 92 - 29 - 224/3.6=6, 3081/3.0=5...(8) H THR 95 - HA LEU 51 OK 19 76 - 24 - 3095/4.0=4, 3081/3.0=4...(8) H GLU 82 - HA LEU 51 OK 16 73 - 22 - 3074/3.0=4, 3095/4.0=3...(9) H GLN 16 - HA LEU 51 lone 5 65 - 8 - 224/3.6=1 Peak 3068 from cnoeabs.peaks (3.56, 3.56, 57.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 51 + HA LEU 51 OK 100 100 - 100 Peak 3069 from cnoeabs.peaks (1.42, 3.56, 57.49 ppm; 4.38 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 51 + HA LEU 51 OK 100 100 - 100 - 3.0=100 HB3 LEU 101 - HA LEU 51 OK 28 85 - 33 - 3083/3.0=5, 3104/4.0=5...(14) HB VAL 110 - HA LEU 51 OK 27 68 - 39 - 2.1/3072=9, ~3079=4...(13) HB2 LEU 27 - HA LEU 51 OK 27 76 - 35 - 6517/4.0=6, 3083/3.0=4...(14) HG LEU 59 - HA LEU 51 OK 25 87 - 29 - 2.1/8644=4, 3083/3.0=3...(16) QB ALA 98 - HA LEU 51 OK 17 100 - 17 - 1000/2.9=3, 3083/3.0=2...(7) HB3 LEU 91 - HA LEU 51 OK 11 98 - 11 - 226/3.6=2, 1000/2.9=1...(5) QB ALA 122 - HA LEU 51 OK 10 99 - 10 - 2.9/1806=3, 1000/2.9=1 QB ALA 89 - HA LEU 51 lone 5 83 - 6 - 1000/2.9=1 HD2 LYS 65 - HA LEU 51 lone 5 76 - 6 - HD3 LYS 65 - HA LEU 51 lone 5 76 - 6 - Peak 3070 from cnoeabs.peaks (0.45, 3.56, 57.49 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + HA LEU 51 OK 100 100 - 100 - 3.0=100 Peak 3071 from cnoeabs.peaks (1.63, 3.56, 57.49 ppm; 4.68 A): 1 out of 15 assignments used, quality = 1.00: * HG LEU 51 + HA LEU 51 OK 100 100 - 100 - 3.7=100 HB ILE 34 - HA LEU 51 OK 45 95 - 47 - 2600/4.0=10, 2.9/8426=8...(13) HB2 LEU 59 - HA LEU 51 OK 33 97 - 34 - 3.2/8644=4, 3.0/3069=3...(16) HG LEU 101 - HA LEU 51 OK 30 92 - 33 - 3106/4.0=5, 3078/3.0=4...(12) HG LEU 27 - HA LEU 51 OK 27 87 - 31 - 3.0/3069=4, 2285/3.0=3...(13) HG3 ARG 85 - HA LEU 51 OK 21 97 - 21 - 3091/3.0=5, 5.0/6050=3...(8) HG2 ARG 53 - HA LEU 51 OK 20 73 - 27 - 5.0/6050=8, 228/3.6=4...(10) HB3 GLN 42 - HA LEU 51 OK 16 100 - 16 - ~6936=3, ~6937=3...(8) HG2 PRO 30 - HA LEU 51 OK 15 81 - 18 - 6606/4.0=6, 3078/3.0=3...(5) HB3 LEU 41 - HA LEU 51 OK 13 78 - 17 - 4.1/6050=3, 6750/4.0=3...(7) HB3 LYS 32 - HA LEU 51 lone 8 100 - 8 - 4.7/6056=2 HD3 LYS 31 - HA LEU 51 lone 6 95 - 7 - HD2 LYS 31 - HA LEU 51 lone 6 95 - 7 - HD3 LYS 32 - HA LEU 51 lone 3 73 - 4 - HD2 LYS 32 - HA LEU 51 lone 3 73 - 4 - Peak 3072 from cnoeabs.peaks (0.16, 3.56, 57.49 ppm; 3.35 A): 4 out of 4 assignments used, quality = 0.87: * QD2 LEU 51 + HA LEU 51 OK 74 100 - 74 - 4.0=57, 3095/2.9=12...(9) QG1 VAL 110 + HA LEU 51 OK 25 83 - 30 - 7876/4.0=8, 3086/3.0=4...(9) QD1 ILE 34 + HA LEU 51 OK 23 78 - 29 - 2.1/8426=5, 3086/3.0=4...(10) QD2 LEU 84 + HA LEU 51 OK 11 83 - 13 - 1003/2.9=2, 3079/3.0=2...(6) Peak 3073 from cnoeabs.peaks (0.62, 3.56, 57.49 ppm; 4.16 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 51 + HA LEU 51 OK 100 100 - 100 - 4.0=100 QG2 VAL 26 + HA LEU 51 OK 53 100 - 53 - 1004/2.9=8, 8213/8424=7...(16) QG1 VAL 26 + HA LEU 51 OK 50 97 - 52 - 1004/2.9=7, 3080/3.0=6...(16) QD1 LEU 45 - HA LEU 51 OK 31 76 - 41 - 2.1/8426=10, 3087/3.0=6...(9) Peak 3074 from cnoeabs.peaks (8.42, 1.42, 39.13 ppm; 4.57 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.9=100 H ILE 63 - HB2 LEU 51 OK 27 92 - 29 - 3081/1.8=6, 3067/3.0=5...(6) H GLU 82 - HB2 LEU 51 OK 21 73 - 29 - 3.6/7435=5, 3095/3.1=4...(9) H THR 95 - HB2 LEU 51 OK 18 76 - 24 - 3095/3.1=5, 3081/1.8=4...(7) H GLN 16 - HB2 LEU 51 lone 5 65 - 7 - 3081/1.8=1, 3095/3.1=1 Peak 3075 from cnoeabs.peaks (3.56, 1.42, 39.13 ppm; 4.33 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.0=100 HD2 PRO 60 - HB2 LEU 51 OK 42 97 - 43 - 3082/1.8=7, 3096/3.1=6...(19) HA ASN 118 - HB2 LEU 51 OK 36 97 - 37 - 3082/1.8=6, 3096/3.1=5...(14) HA2 GLY 48 - HB2 LEU 51 OK 29 78 - 37 - 6886/3.1=7, ~6891=6...(11) HA GLU 75 - HB2 LEU 51 OK 10 71 - 14 - 3.6/5606=2, 3096/3.1=2...(6) HB2 ASP 47 - HB2 LEU 51 lone 8 85 - 9 - 3103/3.1=1, 3082/1.8=1...(4) Peak 3076 from cnoeabs.peaks (1.42, 1.42, 39.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 51 + HB2 LEU 51 OK 100 100 - 100 Peak 3077 from cnoeabs.peaks (0.45, 1.42, 39.13 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 1.8=100 Peak 3078 from cnoeabs.peaks (1.63, 1.42, 39.13 ppm; 4.64 A): 3 out of 15 assignments used, quality = 1.00: * HG LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.0=100 HB ILE 34 + HB2 LEU 51 OK 63 95 - 67 - 2600/3.1=12, 3.2/3079=7...(23) HG LEU 101 + HB2 LEU 51 OK 59 92 - 64 - ~7710=10, ~7711=8...(26) HG LEU 27 - HB2 LEU 51 OK 44 87 - 51 - ~6517=5, ~6518=5...(24) HB2 LEU 59 - HB2 LEU 51 OK 43 97 - 44 - 4.8/3075=4, 1.8/3407=4...(22) HG2 PRO 30 - HB2 LEU 51 OK 40 81 - 50 - 6606/3.1=7, ~6600=7...(18) HG3 ARG 85 - HB2 LEU 51 OK 29 97 - 30 - 3091/1.8=6, 3093/3.1=3...(15) HB3 GLN 42 - HB2 LEU 51 OK 25 100 - 25 - 3.0/6937=5, ~6936=4...(9) HG2 ARG 53 - HB2 LEU 51 OK 24 73 - 33 - ~6967=4, 3.0/6937=3...(14) HB3 LEU 41 - HB2 LEU 51 OK 19 78 - 25 - 6750/3.1=3, ~6933=2...(12) HB3 LYS 32 - HB2 LEU 51 lone 10 100 - 9 - HD3 LYS 31 - HB2 LEU 51 lone 7 95 - 7 - HD2 LYS 31 - HB2 LEU 51 lone 7 95 - 7 - HD3 LYS 32 - HB2 LEU 51 lone 5 73 - 7 - HD2 LYS 32 - HB2 LEU 51 lone 5 73 - 7 - Peak 3079 from cnoeabs.peaks (0.16, 1.42, 39.13 ppm; 4.25 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.1=100 QG1 VAL 110 + HB2 LEU 51 OK 49 83 - 59 - 7876/3.1=16, 3086/1.8=8...(17) QD1 ILE 34 + HB2 LEU 51 OK 47 78 - 60 - 3086/1.8=9, 3072/3.0=7...(20) QD2 LEU 84 - HB2 LEU 51 OK 26 83 - 31 - 3086/1.8=4, 3107/3.1=3...(11) Peak 3080 from cnoeabs.peaks (0.62, 1.42, 39.13 ppm; 3.95 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.1=100 QG2 VAL 26 + HB2 LEU 51 OK 45 100 - 45 - 3087/1.8=7, 3073/3.0=6...(12) QG1 VAL 26 - HB2 LEU 51 OK 43 97 - 44 - 3087/1.8=7, 3073/3.0=6...(12) QD1 LEU 45 - HB2 LEU 51 OK 39 76 - 52 - ~6841=9, 3087/1.8=7...(17) Peak 3081 from cnoeabs.peaks (8.42, 0.45, 39.13 ppm; 4.55 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.9=100 H ILE 63 - HB3 LEU 51 OK 25 92 - 28 - 3074/1.8=6, 3067/3.0=5...(6) H THR 95 - HB3 LEU 51 OK 18 76 - 24 - 3095/3.1=5, 3074/1.8=4...(7) H GLU 82 - HB3 LEU 51 OK 15 73 - 21 - 3074/1.8=5, 3095/3.1=4...(7) H GLN 16 - HB3 LEU 51 lone 4 65 - 6 - 3074/1.8=1, 3095/3.1=1 Peak 3082 from cnoeabs.peaks (3.56, 0.45, 39.13 ppm; 4.23 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.0=100 HD2 PRO 60 - HB3 LEU 51 OK 37 97 - 38 - 3075/1.8=7, 3096/3.1=6...(16) HA ASN 118 - HB3 LEU 51 OK 31 97 - 32 - 3075/1.8=6, 3096/3.1=5...(13) HA2 GLY 48 - HB3 LEU 51 OK 27 78 - 35 - 6886/3.1=6, ~6891=6...(11) HA GLU 75 - HB3 LEU 51 poor 9 71 - 13 - 3.6/5607=2, 3096/3.1=2...(6) HB2 ASP 47 - HB3 LEU 51 lone 7 85 - 8 - 3103/3.1=1, 3075/1.8=1 Peak 3083 from cnoeabs.peaks (1.42, 0.45, 39.13 ppm; 3.85 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 1.8=100 HB3 LEU 101 - HB3 LEU 51 OK 38 85 - 45 - 3104/3.1=5, ~7710=5...(24) HB VAL 110 - HB3 LEU 51 OK 30 68 - 45 - ~7876=9, 2.1/3086=7...(17) HB2 LEU 27 - HB3 LEU 51 OK 30 76 - 39 - 6517/3.1=6, ~6518=5...(17) HG LEU 59 - HB3 LEU 51 OK 24 87 - 27 - ~6929=3, 3069/3.0=2...(14) QB ALA 98 - HB3 LEU 51 OK 14 100 - 14 - 1000/3.9=2, 3104/3.1=2...(7) HB3 LEU 91 - HB3 LEU 51 lone 9 98 - 9 - 3097/3.1=1, 3104/3.1=1 QB ALA 122 - HB3 LEU 51 lone 7 99 - 7 - ~1806=1 QB ALA 89 - HB3 LEU 51 lone 4 83 - 5 - HD2 LYS 65 - HB3 LEU 51 lone 4 76 - 5 - HD3 LYS 65 - HB3 LEU 51 lone 4 76 - 5 - Peak 3084 from cnoeabs.peaks (0.45, 0.45, 39.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + HB3 LEU 51 OK 100 100 - 100 Peak 3085 from cnoeabs.peaks (1.63, 0.45, 39.13 ppm; 4.81 A): 3 out of 15 assignments used, quality = 1.00: * HG LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.0=100 HB ILE 34 + HB3 LEU 51 OK 65 95 - 69 - 2600/3.1=12, 3.2/3086=8...(23) HG LEU 101 + HB3 LEU 51 OK 59 92 - 64 - ~7710=11, ~7711=8...(23) HG LEU 27 - HB3 LEU 51 OK 44 87 - 51 - ~6517=6, ~6518=6...(21) HB2 LEU 59 - HB3 LEU 51 OK 41 97 - 42 - 4.8/3082=5, 3400/1.8=4...(21) HG2 PRO 30 - HB3 LEU 51 OK 40 81 - 50 - 6606/3.1=8, ~6600=7...(17) HG3 ARG 85 - HB3 LEU 51 OK 30 97 - 32 - 3091=7, 3093/3.1=3...(14) HG2 ARG 53 - HB3 LEU 51 OK 25 73 - 35 - ~6967=4, 228/4.6=4...(15) HB3 GLN 42 - HB3 LEU 51 OK 25 100 - 25 - 3.0/6936=6, ~6937=4...(10) HB3 LEU 41 - HB3 LEU 51 OK 20 78 - 25 - 6750/3.1=3, ~6933=2...(13) HB3 LYS 32 - HB3 LEU 51 lone 10 100 - 9 - HD3 LYS 31 - HB3 LEU 51 lone 7 95 - 7 - HD2 LYS 31 - HB3 LEU 51 lone 7 95 - 7 - HD3 LYS 32 - HB3 LEU 51 lone 5 73 - 7 - HD2 LYS 32 - HB3 LEU 51 lone 5 73 - 7 - Peak 3086 from cnoeabs.peaks (0.16, 0.45, 39.13 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.1=100 QD1 ILE 34 - HB3 LEU 51 OK 43 78 - 55 - 3079/1.8=7, 3072/3.0=6...(21) QG1 VAL 110 - HB3 LEU 51 OK 43 83 - 51 - 7876/3.1=14, 3079/1.8=8...(16) QD2 LEU 84 - HB3 LEU 51 OK 21 83 - 26 - 3079/1.8=4, 3107/3.1=3...(11) Peak 3087 from cnoeabs.peaks (0.62, 0.45, 39.13 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.1=100 QG2 VAL 26 - HB3 LEU 51 OK 42 100 - 42 - 3080/1.8=8, 3073/3.0=6...(10) QG1 VAL 26 - HB3 LEU 51 OK 40 97 - 41 - 3080/1.8=7, 3073/3.0=6...(10) QD1 LEU 45 - HB3 LEU 51 OK 39 76 - 52 - ~6841=9, 3080/1.8=7...(17) Peak 3088 from cnoeabs.peaks (8.42, 1.63, 25.71 ppm; 4.16 A): 5 out of 10 assignments used, quality = 0.90: * H LEU 51 + HG LEU 51 OK 81 100 - 81 - 5.1=54, 3095/2.1=21...(7) H ILE 63 + HG LEU 51 OK 21 92 - 22 - 3095/2.1=5, 3102/2.1=5...(5) H THR 95 + HG LEU 51 OK 16 76 - 21 - 3095/2.1=5, 3102/2.1=4...(6) H GLU 82 + HG LEU 51 OK 12 73 - 16 - 3095/2.1=4, 3074/3.0=3...(5) H LEU 51 + HG3 ARG 85 OK 11 64 - 18 - 1002=3, 3.9/3091=3...(7) H GLU 82 - HG3 ARG 85 poor 5 40 - 12 - ~6143=4, ~6141=4...(4) H GLN 16 - HG LEU 51 lone 4 65 - 5 - 3095/2.1=1 H THR 95 - HG3 ARG 85 lone 3 42 - 8 - 468/3.0=2, 468/3.0=2, 465/5.0=1 H ILE 63 - HG3 ARG 85 lone 2 54 - 4 - 290/4.1=1 H GLN 16 - HG3 ARG 85 lone 2 35 - 5 - 28/5.0=1 Peak 3089 from cnoeabs.peaks (3.56, 1.63, 25.71 ppm; 5.13 A): 1 out of 12 assignments used, quality = 1.00: * HA LEU 51 + HG LEU 51 OK 100 100 - 100 - 3.7=100 HD2 PRO 60 - HG LEU 51 OK 38 97 - 40 - 3075/3.0=7, 3082/3.0=7...(11) HA2 GLY 48 - HG LEU 51 OK 32 78 - 41 - 6886/2.1=11, ~6891=10...(7) HA ASN 118 - HG LEU 51 OK 31 97 - 33 - 3096/2.1=7, 3075/3.0=6...(7) HD2 PRO 60 - HG3 ARG 85 OK 16 59 - 27 - ~4305=4, 3437/3.0=4...(12) HA LEU 51 - HG3 ARG 85 OK 16 64 - 25 - 3.0/3091=6, 6050/5.0=4...(8) HB2 ASP 47 - HG LEU 51 lone 8 85 - 9 - 3103/2.1=2, 3096/2.1=1...(5) HA GLU 75 - HG LEU 51 poor 8 71 - 11 - 3096/2.1=2, 3103/2.1=2...(5) HA ASN 118 - HG3 ARG 85 lone 2 58 - 3 - HA2 GLY 48 - HG3 ARG 85 lone 1 43 - 3 - HA GLU 75 - HG3 ARG 85 lone 1 38 - 2 - HB2 ASP 47 - HG3 ARG 85 lone 1 48 - 2 - Peak 3090 from cnoeabs.peaks (1.42, 1.63, 25.71 ppm; 4.23 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LEU 51 + HG LEU 51 OK 100 100 - 100 - 3.0=100 HB3 LEU 101 + HG LEU 51 OK 51 85 - 61 - ~7710=9, 3104/2.1=7...(26) HB2 LEU 27 - HG LEU 51 OK 40 76 - 53 - 6517/2.1=8, ~6518=8...(22) HB VAL 110 - HG LEU 51 OK 35 68 - 52 - ~7876=15, 2.1/3093=7...(15) HG LEU 59 - HG LEU 51 OK 29 87 - 34 - ~6929=5, 3097/2.1=3...(19) QB ALA 98 - HG LEU 51 OK 17 100 - 17 - 3097/2.1=3, 3104/2.1=3...(6) HB2 LEU 51 - HG3 ARG 85 OK 17 64 - 26 - 1.8/3091=5, 3078=2...(11) HB3 LEU 91 - HG LEU 51 OK 11 98 - 11 - 3097/2.1=2, 3104/2.1=2...(4) HB2 LEU 27 - HG3 ARG 85 poor 7 42 - 18 - 3.0/2266=2, 4.3/102=2...(7) QB ALA 122 - HG LEU 51 lone 7 99 - 7 - 3069/3.7=1 HB3 LEU 91 - HG3 ARG 85 lone 6 60 - 9 - 7505/5.0=1 QB ALA 89 - HG LEU 51 lone 5 83 - 6 - HD3 LYS 65 - HG LEU 51 lone 5 76 - 7 - HD2 LYS 65 - HG LEU 51 lone 5 76 - 7 - HG LEU 59 - HG3 ARG 85 lone 5 50 - 10 - ~8645=2 HB3 LEU 101 - HG3 ARG 85 lone 4 48 - 8 - 4.0/7500=1 QB ALA 89 - HG3 ARG 85 lone 4 46 - 8 - 7505/5.0=3, ~7497=1 QB ALA 98 - HG3 ARG 85 lone 2 64 - 3 - HB VAL 110 - HG3 ARG 85 lone 1 37 - 4 - HD3 LYS 65 - HG3 ARG 85 lone 1 42 - 2 - HD2 LYS 65 - HG3 ARG 85 lone 1 42 - 2 - QB ALA 122 - HG3 ARG 85 lone 1 62 - 1 - Peak 3091 from cnoeabs.peaks (0.45, 1.63, 25.71 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 51 + HG LEU 51 OK 100 100 - 100 - 3.0=100 HB3 LEU 51 - HG3 ARG 85 OK 20 64 - 30 - 3085=3, 3.1/3093=3...(14) Peak 3092 from cnoeabs.peaks (1.63, 1.63, 25.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 51 + HG LEU 51 OK 100 100 - 100 HG3 ARG 85 + HG3 ARG 85 OK 58 58 - 100 Peak 3093 from cnoeabs.peaks (0.16, 1.63, 25.71 ppm; 3.98 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 51 + HG LEU 51 OK 100 100 - 100 - 2.1=100 QD1 ILE 34 + HG LEU 51 OK 50 78 - 64 - 2.1/8630=10, 3107/2.1=7...(19) QG1 VAL 110 - HG LEU 51 OK 43 83 - 52 - 7876/2.1=18, 3086/3.0=6...(14) QD2 LEU 84 - HG LEU 51 OK 21 83 - 26 - 3107/2.1=4, 3079/3.0=3...(9) QD2 LEU 51 - HG3 ARG 85 OK 18 64 - 28 - 3.1/3091=3, 3099=3...(14) QD1 ILE 34 - HG3 ARG 85 OK 14 43 - 32 - 2.1/2610=4, 2.1/2617=3...(15) QG1 VAL 110 - HG3 ARG 85 poor 5 46 - 12 - 416/5.0=4, 7866/4.0=2...(4) QD2 LEU 84 - HG3 ARG 85 lone 4 46 - 10 - 416/5.0=7 Peak 3094 from cnoeabs.peaks (0.62, 1.63, 25.71 ppm; 4.12 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 51 + HG LEU 51 OK 100 100 - 100 - 2.1=100 QD1 LEU 45 - HG LEU 51 OK 42 76 - 55 - ~6841=13, 2.1/8630=10...(13) QG2 VAL 26 - HG LEU 51 OK 42 100 - 42 - 3101/2.1=7, 3080/3.0=6...(13) QG1 VAL 26 - HG LEU 51 OK 40 97 - 41 - 3101/2.1=6, 3080/3.0=6...(13) QD1 LEU 51 - HG3 ARG 85 OK 16 64 - 26 - 3.1/3091=4, 2.1/3093=3...(13) QG1 VAL 26 - HG3 ARG 85 lone 4 59 - 7 - 8235/5.0=1, 4.1/878=1 QG2 VAL 26 - HG3 ARG 85 lone 4 64 - 6 - 4.1/878=1 QD1 LEU 45 - HG3 ARG 85 lone 3 42 - 6 - Peak 3095 from cnoeabs.peaks (8.42, 0.16, 21.80 ppm; 4.12 A): 4 out of 5 assignments used, quality = 0.93: * H LEU 51 + QD2 LEU 51 OK 86 100 - 86 - 4.8=64, 2.9/3096=21...(9) H ILE 63 + QD2 LEU 51 OK 21 92 - 23 - 3102/2.1=5, 3088/2.1=5...(5) H THR 95 + QD2 LEU 51 OK 21 76 - 28 - 3.0/7623=4, 3102/2.1=4...(10) H GLU 82 + QD2 LEU 51 OK 18 73 - 24 - 4.6/7467=4, 3074/3.1=3...(9) H GLN 16 - QD2 LEU 51 lone 4 65 - 6 - Peak 3096 from cnoeabs.peaks (3.56, 0.16, 21.80 ppm; 3.12 A): 4 out of 6 assignments used, quality = 0.79: * HA LEU 51 + QD2 LEU 51 OK 65 100 - 65 - 4.0=46, 2.9/3095=10...(9) HD2 PRO 60 + QD2 LEU 51 OK 17 97 - 18 - 3103/2.1=3, 3075/3.1=3...(8) HA ASN 118 + QD2 LEU 51 OK 16 97 - 17 - 3103/2.1=3, 3075/3.1=2...(8) HA2 GLY 48 + QD2 LEU 51 OK 13 78 - 17 - 6886/2.1=4, ~6891=3...(7) HA GLU 75 - QD2 LEU 51 lone 6 71 - 8 - 3.6/5609=1, 3.6/6928=1 HB2 ASP 47 - QD2 LEU 51 lone 3 85 - 4 - Peak 3097 from cnoeabs.peaks (1.42, 0.16, 21.80 ppm; 4.00 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 3.1=100 HB3 LEU 101 + QD2 LEU 51 OK 48 85 - 56 - 3.1/7711=9, ~7710=8...(23) HB VAL 110 - QD2 LEU 51 OK 37 68 - 54 - ~7876=13, 2.1/4988=7...(18) HB2 LEU 27 - QD2 LEU 51 OK 36 76 - 47 - 1.8/6930=8, 6517/2.1=7...(18) HG LEU 59 - QD2 LEU 51 OK 26 87 - 30 - 2.1/6929=7, 3104/2.1=3...(15) QB ALA 98 - QD2 LEU 51 OK 20 100 - 20 - 3104/2.1=2, 2.1/7670=2...(7) HB3 LEU 91 - QD2 LEU 51 OK 14 98 - 14 - 3104/2.1=2, 7582/6940=1 HD2 LYS 65 - QD2 LEU 51 lone 7 76 - 9 - 5.5/6939=2 HD3 LYS 65 - QD2 LEU 51 lone 7 76 - 9 - 5.5/6939=2 QB ALA 122 - QD2 LEU 51 lone 7 99 - 7 - QB ALA 89 - QD2 LEU 51 lone 7 83 - 8 - Peak 3098 from cnoeabs.peaks (0.45, 0.16, 21.80 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 3.1=100 Peak 3099 from cnoeabs.peaks (1.63, 0.16, 21.80 ppm; 3.48 A): 2 out of 15 assignments used, quality = 1.00: * HG LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 2.1=100 HB ILE 34 + QD2 LEU 51 OK 52 95 - 55 - 2600=11, 2.1/2607=7...(21) HG LEU 101 - QD2 LEU 51 OK 43 92 - 46 - 2.1/7711=9, ~7710=8...(20) HG2 PRO 30 - QD2 LEU 51 OK 31 81 - 38 - 2.3/6600=6, 2.3/6604=6...(11) HG LEU 27 - QD2 LEU 51 OK 30 87 - 35 - 3.0/6930=5, ~6517=4...(17) HB2 LEU 59 - QD2 LEU 51 OK 24 97 - 25 - 3.2/6929=5, 4.8/3096=2...(10) HG3 ARG 85 - QD2 LEU 51 OK 21 97 - 22 - 3091/3.1=2, 3093=2...(10) HB3 GLN 42 - QD2 LEU 51 OK 15 100 - 15 - ~6786=2, ~6936=2...(4) HG2 ARG 53 - QD2 LEU 51 OK 14 73 - 20 - ~6967=2, ~6964=2...(6) HB3 LEU 41 - QD2 LEU 51 OK 13 78 - 17 - 1.8/6933=2, 6750/2.1=2...(4) HB3 LYS 32 - QD2 LEU 51 lone 8 100 - 8 - HD3 LYS 31 - QD2 LEU 51 lone 4 95 - 4 - HD2 LYS 31 - QD2 LEU 51 lone 4 95 - 4 - HD3 LYS 32 - QD2 LEU 51 lone 4 73 - 5 - HD2 LYS 32 - QD2 LEU 51 lone 4 73 - 5 - Peak 3100 from cnoeabs.peaks (0.16, 0.16, 21.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + QD2 LEU 51 OK 100 100 - 100 Peak 3101 from cnoeabs.peaks (0.62, 0.16, 21.80 ppm; 2.86 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 2.1=100 QD1 LEU 45 - QD2 LEU 51 OK 24 76 - 32 - 2.1/6842=7, 2.1/6841=7...(13) QG2 VAL 26 - QD2 LEU 51 OK 23 100 - 23 - 3080/3.1=3, 3087/3.1=3...(8) QG1 VAL 26 - QD2 LEU 51 OK 22 97 - 22 - 3080/3.1=3, 3087/3.1=3...(8) Peak 3102 from cnoeabs.peaks (8.42, 0.62, 26.19 ppm; 4.51 A): 1 out of 5 assignments used, quality = 0.94: * H LEU 51 + QD1 LEU 51 OK 94 100 - 94 - 4.8=84, 3095/2.1=24...(8) H ILE 63 - QD1 LEU 51 OK 24 92 - 26 - 3095/2.1=6, 3088/2.1=5...(5) H THR 95 - QD1 LEU 51 OK 19 76 - 25 - 3095/2.1=6, 3088/2.1=4...(7) H GLU 82 - QD1 LEU 51 OK 15 73 - 21 - 3095/2.1=5, 3074/3.1=4...(7) H GLN 16 - QD1 LEU 51 lone 4 65 - 7 - 3095/2.1=1 Peak 3103 from cnoeabs.peaks (3.56, 0.62, 26.19 ppm; 4.07 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 4.0=100 HD2 PRO 60 - QD1 LEU 51 OK 29 97 - 30 - 3096/2.1=6, 3075/3.1=5...(9) HA2 GLY 48 - QD1 LEU 51 OK 28 78 - 36 - 1.8/6891=9, 6886=8...(9) HA ASN 118 - QD1 LEU 51 OK 26 97 - 27 - 3096/2.1=6, 3075/3.1=4...(8) HB2 ASP 47 - QD1 LEU 51 poor 9 85 - 11 - 4.2/6881=5, 3096/2.1=1 HA GLU 75 - QD1 LEU 51 poor 8 71 - 11 - 3.6/5610=2, 3096/2.1=2...(4) Peak 3104 from cnoeabs.peaks (1.42, 0.62, 26.19 ppm; 3.60 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 3.1=100 HB3 LEU 101 - QD1 LEU 51 OK 42 85 - 49 - 3.1/7710=11, 3.1/7707=7...(20) HB2 LEU 27 - QD1 LEU 51 OK 32 76 - 43 - 1.8/6518=8, 6517=7...(15) HB VAL 110 - QD1 LEU 51 OK 29 68 - 43 - 2.1/7876=18, 4978/2.1=5...(13) HG LEU 59 - QD1 LEU 51 OK 19 87 - 23 - ~6929=3, 3097/2.1=2...(7) QB ALA 98 - QD1 LEU 51 OK 16 100 - 16 - 3097/2.1=2, 7665/7403=2...(8) HB3 LEU 91 - QD1 LEU 51 OK 10 98 - 10 - 3097/2.1=1, 7582/6942=1 QB ALA 122 - QD1 LEU 51 lone 5 99 - 5 - HD2 LYS 65 - QD1 LEU 51 lone 5 76 - 6 - HD3 LYS 65 - QD1 LEU 51 lone 5 76 - 6 - QB ALA 89 - QD1 LEU 51 lone 4 83 - 5 - Peak 3105 from cnoeabs.peaks (0.45, 0.62, 26.19 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 3.1=100 Peak 3106 from cnoeabs.peaks (1.63, 0.62, 26.19 ppm; 3.56 A): 3 out of 15 assignments used, quality = 1.00: * HG LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 2.1=100 HG LEU 101 + QD1 LEU 51 OK 50 92 - 54 - 2.1/7710=14, 2.1/7707=9...(21) HB ILE 34 + QD1 LEU 51 OK 46 95 - 49 - 2600/2.1=10, ~2607=5...(19) HG LEU 27 - QD1 LEU 51 OK 31 87 - 35 - 3.0/6518=7, 3.0/6517=6...(17) HG2 PRO 30 - QD1 LEU 51 OK 28 81 - 35 - ~6600=5, ~6597=5...(12) HB2 LEU 59 - QD1 LEU 51 OK 23 97 - 23 - ~6929=2, 3099/2.1=2...(12) HG2 ARG 53 - QD1 LEU 51 OK 21 73 - 28 - 1.8/6967=4, 3.0/6964=4...(9) HG3 ARG 85 - QD1 LEU 51 OK 19 97 - 20 - 3091/3.1=3, 3094=2...(8) HB3 GLN 42 - QD1 LEU 51 OK 16 100 - 16 - 3.0/6786=3, ~6936=2...(4) HB3 LEU 41 - QD1 LEU 51 OK 14 78 - 18 - 6750=2, 3.0/6752=2...(6) HB3 LYS 32 - QD1 LEU 51 lone 6 100 - 6 - HD3 LYS 31 - QD1 LEU 51 lone 4 95 - 4 - HD2 LYS 31 - QD1 LEU 51 lone 4 95 - 4 - HD3 LYS 32 - QD1 LEU 51 lone 3 73 - 4 - HD2 LYS 32 - QD1 LEU 51 lone 3 73 - 4 - Peak 3107 from cnoeabs.peaks (0.16, 0.62, 26.19 ppm; 3.00 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 2.1=100 QG1 VAL 110 - QD1 LEU 51 OK 34 83 - 41 - 7876=13, 3093/2.1=3...(14) QD1 ILE 34 - QD1 LEU 51 OK 28 78 - 36 - ~2614=4, ~2621=4...(15) QD2 LEU 84 - QD1 LEU 51 OK 15 83 - 18 - 3079/3.1=2, ~4258=2...(10) Peak 3108 from cnoeabs.peaks (0.62, 0.62, 26.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + QD1 LEU 51 OK 100 100 - 100 Peak 3110 from cnoeabs.peaks (4.22, 4.22, 65.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 52 + HA CYS 52 OK 100 100 - 100 Peak 3111 from cnoeabs.peaks (2.45, 4.22, 65.82 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 52 + HA CYS 52 OK 100 100 - 100 - 3.0=100 HB3 CYS 87 - HA CYS 52 OK 18 90 - 19 - 233/3.6=4, 3119/3.0=4...(8) HG3 MET 11 - HA CYS 52 OK 11 85 - 13 - 3119/3.0=3, 3.0/6059=2...(7) Peak 3112 from cnoeabs.peaks (3.12, 4.22, 65.82 ppm; 4.15 A): 1 out of 7 assignments used, quality = 1.00: * HB3 CYS 52 + HA CYS 52 OK 100 100 - 100 - 3.0=100 HD3 ARG 53 - HA CYS 52 OK 44 81 - 55 - 1016/3.6=8, 3.6/6061=8...(16) HB2 PHE 107 - HA CYS 52 OK 34 100 - 35 - 3116/3.0=5, 1008/3.0=5...(12) HD3 ARG 57 - HA CYS 52 OK 32 99 - 32 - 1008/3.0=4, 3116/3.0=4...(14) HB3 CYS 76 - HA CYS 52 OK 19 100 - 19 - 3986/3.0=4, 4.0/6063=3...(8) HD3 ARG 81 - HA CYS 52 OK 11 93 - 12 - 3116/3.0=2, 1008/3.0=1 HB3 ASP 100 - HA CYS 52 lone 5 100 - 5 - Peak 3113 from cnoeabs.peaks (7.57, 2.45, 27.40 ppm; 4.24 A): 1 out of 6 assignments used, quality = 1.00: * H CYS 52 + HB2 CYS 52 OK 100 100 - 100 - 4.0=100 H CYS 76 - HB2 CYS 52 OK 20 99 - 21 - 3117/1.8=6, 6063/3.0=4...(7) H ARG 57 - HB2 CYS 52 OK 16 78 - 20 - 3117/1.8=5, 231/4.4=4...(7) H SER 113 - HB2 CYS 52 OK 12 99 - 12 - 3117/1.8=3, 231/4.4=2...(4) H LYS 119 - HB2 CYS 52 lone 5 71 - 8 - 3117/1.8=1, 6063/3.0=1 HE3 TRP 20 - HB2 CYS 52 lone 5 78 - 7 - 6063/3.0=2, 3117/1.8=1 Peak 3114 from cnoeabs.peaks (4.22, 2.45, 27.40 ppm; 4.13 A): 2 out of 11 assignments used, quality = 1.00: * HA CYS 52 + HB2 CYS 52 OK 100 100 - 100 - 3.0=100 HA VAL 66 + HB2 CYS 52 OK 80 99 - 81 - 3.2/7191=27, 3.2/7182=21...(21) HA VAL 26 - HB2 CYS 52 OK 21 100 - 21 - 232/4.4=4, 8689/1.8=4...(7) HA ILE 22 - HB2 CYS 52 OK 17 99 - 17 - 3118/1.8=2, 3.2/6949=2...(7) HA LEU 126 - HB2 CYS 52 OK 11 95 - 12 - 3118/1.8=2, 4.0/6949=2...(4) HA THR 17 - HB2 CYS 52 OK 11 95 - 11 - 6343/4.0=4, 3118/1.8=2 HA SER 13 - HB2 CYS 52 lone 7 99 - 7 - 8689/1.8=1, 232/4.4=1 HA3 GLY 48 - HB2 CYS 52 lone 7 68 - 10 - ~6882=1, 6888/3.4=1...(4) HA ALA 89 - HB2 CYS 52 lone 2 81 - 3 - HB THR 19 - HB2 CYS 52 lone 1 65 - 2 - HA3 GLY 61 - HB2 CYS 52 lone 1 63 - 1 - Peak 3115 from cnoeabs.peaks (2.45, 2.45, 27.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 52 + HB2 CYS 52 OK 100 100 - 100 Peak 3116 from cnoeabs.peaks (3.12, 2.45, 27.40 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * HB3 CYS 52 + HB2 CYS 52 OK 100 100 - 100 - 1.8=100 HB2 PHE 107 - HB2 CYS 52 OK 29 100 - 29 - 1.8/6954=4, 3112/3.0=3...(14) HD3 ARG 53 - HB2 CYS 52 OK 27 81 - 34 - 6.3/233=7, 3112/3.0=4...(14) HD3 ARG 57 - HB2 CYS 52 OK 21 99 - 21 - 3112/3.0=3, 1008/4.0=2...(12) HB3 CYS 76 - HB2 CYS 52 OK 14 100 - 14 - 3986/4.0=2, 4.0/3113=2...(6) HD3 ARG 81 - HB2 CYS 52 lone 9 93 - 10 - 3112/3.0=1 HB3 ASP 100 - HB2 CYS 52 lone 4 100 - 4 - Peak 3117 from cnoeabs.peaks (7.57, 3.12, 27.40 ppm; 4.15 A): 1 out of 6 assignments used, quality = 1.00: * H CYS 52 + HB3 CYS 52 OK 100 100 - 100 - 4.0=100 H CYS 76 - HB3 CYS 52 OK 25 99 - 26 - 1137=5, 3113/1.8=5...(7) H ARG 57 - HB3 CYS 52 OK 21 78 - 27 - 231/4.4=4, 3113/1.8=4...(10) H SER 113 - HB3 CYS 52 OK 14 99 - 14 - 3113/1.8=3, 1137=3...(4) H LYS 119 - HB3 CYS 52 lone 6 71 - 8 - 3113/1.8=1, 6063/3.0=1 HE3 TRP 20 - HB3 CYS 52 lone 5 78 - 7 - 6063/3.0=2, 3113/1.8=1 Peak 3118 from cnoeabs.peaks (4.22, 3.12, 27.40 ppm; 4.23 A): 2 out of 11 assignments used, quality = 1.00: * HA CYS 52 + HB3 CYS 52 OK 100 100 - 100 - 3.0=100 HA VAL 66 + HB3 CYS 52 OK 78 99 - 79 - 3.2/6953=20, ~7191=18...(18) HA VAL 26 - HB3 CYS 52 OK 26 100 - 26 - 232/4.4=4, 8689=4...(9) HA ILE 22 - HB3 CYS 52 OK 17 99 - 17 - 3114/1.8=3, 1006/4.0=2...(8) HA LEU 126 - HB3 CYS 52 OK 14 95 - 15 - 3114/1.8=2, 4.0/6951=2...(6) HA THR 17 - HB3 CYS 52 OK 11 95 - 11 - 6343/4.0=4, 3114/1.8=2 HA SER 13 - HB3 CYS 52 lone 9 99 - 9 - 232/4.4=1, 8689=1, 3114/1.8=1 HA3 GLY 48 - HB3 CYS 52 poor 7 68 - 11 - ~6882=2, 6888/3.4=1...(4) HA ALA 89 - HB3 CYS 52 lone 2 81 - 3 - HB THR 19 - HB3 CYS 52 lone 1 65 - 2 - HA3 GLY 61 - HB3 CYS 52 lone 1 63 - 2 - Peak 3119 from cnoeabs.peaks (2.45, 3.12, 27.40 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 52 + HB3 CYS 52 OK 100 100 - 100 - 1.8=100 HB3 CYS 87 - HB3 CYS 52 OK 14 90 - 15 - 3111/3.0=3, 233/4.4=3...(6) HG3 MET 11 - HB3 CYS 52 poor 9 85 - 11 - 3111/3.0=2, ~1855=2...(5) Peak 3120 from cnoeabs.peaks (3.12, 3.12, 27.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 52 + HB3 CYS 52 OK 100 100 - 100 Peak 3121 from cnoeabs.peaks (8.54, 3.89, 59.20 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 53 + HA ARG 53 OK 100 100 - 100 - 3.0=100 H LEU 41 - HA ARG 53 OK 36 100 - 36 - 3129/3.0=6, 946/3.9=6...(10) H GLY 86 - HA ARG 53 OK 28 90 - 31 - 3129/3.0=4, 235/3.6=4...(12) H GLU 94 - HA ARG 53 OK 23 100 - 22 - 3129/3.0=3, 235/3.6=3...(11) H GLU 38 - HA ARG 53 OK 18 76 - 24 - 3.9/6068=4, 3.9/8750=3...(10) Peak 3122 from cnoeabs.peaks (3.89, 3.89, 59.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 53 + HA ARG 53 OK 100 100 - 100 Peak 3123 from cnoeabs.peaks (1.74, 3.89, 59.20 ppm; 3.77 A): 1 out of 15 assignments used, quality = 1.00: * HB2 ARG 53 + HA ARG 53 OK 100 100 - 100 - 3.0=100 HB3 LEU 55 - HA ARG 53 OK 32 73 - 44 - 4.2/6065=13, 4.0/6064=7...(16) HB VAL 66 - HA ARG 53 OK 28 99 - 28 - ~7202=6, 1011/3.0=4...(13) HG2 ARG 71 - HA ARG 53 OK 25 100 - 25 - 3.0/3127=4, 3139/3.0=2...(11) HG3 ARG 71 - HA ARG 53 OK 22 92 - 24 - 3.0/3127=4, 3139/3.0=2...(12) HB3 ARG 71 - HA ARG 53 OK 16 95 - 17 - 3.6/3127=4, 3861/5.3=2...(7) HB3 LYS 46 - HA ARG 53 OK 14 97 - 14 - 3139/3.0=2, 1.8/3124=1...(5) HB2 LYS 31 - HA ARG 53 OK 13 89 - 15 - 3139/3.0=1, 3.4/3125=1...(6) HG2 GLN 42 - HA ARG 53 OK 10 87 - 12 - 1.8/6799=2, 3.5/6796=2 HG LEU 117 - HA ARG 53 OK 10 81 - 13 - ~6960=2, 237/3.6=2...(5) HB2 LEU 91 - HA ARG 53 lone 9 99 - 9 - 1011/3.0=1, ~6962=1 HG3 PRO 30 - HA ARG 53 lone 7 78 - 9 - 1.8/3125=1 HB2 LEU 45 - HA ARG 53 lone 6 96 - 6 - 237/3.6=1 HD2 LYS 109 - HA ARG 53 lone 3 81 - 4 - HD3 LYS 109 - HA ARG 53 lone 2 73 - 3 - Peak 3124 from cnoeabs.peaks (2.02, 3.89, 59.20 ppm; 3.86 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ARG 53 + HA ARG 53 OK 100 100 - 100 - 3.0=100 HB2 GLU 56 + HA ARG 53 OK 48 85 - 57 - 3.7/6065=15, 1.8/6068=10...(19) HB2 LEU 55 - HA ARG 53 OK 36 78 - 46 - 4.2/6065=13, 4.0/6064=7...(17) HG3 PRO 37 - HA ARG 53 OK 20 60 - 34 - 2.3/6068=6, 2.3/8750=4...(13) HG3 PRO 60 - HA ARG 53 OK 18 71 - 26 - 2.3/6068=3, 3132/3.0=2...(7) HB2 GLU 94 - HA ARG 53 OK 14 71 - 19 - 4.0/3121=2, 1012/3.0=2...(8) HG2 PRO 60 - HA ARG 53 OK 14 57 - 24 - 2.3/6068=3, 238/3.6=2...(8) HG3 PRO 70 - HA ARG 53 OK 12 83 - 15 - 3132/3.0=1, 1012/3.0=1...(5) HB2 LYS 46 - HA ARG 53 OK 11 71 - 15 - 3132/3.0=2, 1.8/3123=2...(5) Peak 3125 from cnoeabs.peaks (1.61, 3.89, 59.20 ppm; 3.90 A): 2 out of 17 assignments used, quality = 1.00: * HG2 ARG 53 + HA ARG 53 OK 100 100 - 100 - 3.9=100 HG12 ILE 63 + HA ARG 53 OK 54 99 - 55 - 1.8/3126=7, ~7126=6...(20) HG LEU 101 - HA ARG 53 OK 20 98 - 21 - 3146=3, 3148/3.0=2...(9) HB3 LEU 126 - HA ARG 53 OK 16 99 - 16 - 3133/3.0=2, 1013/3.0=2...(8) HB2 LEU 126 - HA ARG 53 OK 16 99 - 16 - 3133/3.0=2, 1013/3.0=2...(8) HD2 LYS 31 - HA ARG 53 OK 16 97 - 16 - 3133/3.0=2, 3141/3.0=1...(6) HD3 LYS 31 - HA ARG 53 OK 16 97 - 16 - 3133/3.0=2, 3141/3.0=1...(6) HG LEU 51 - HA ARG 53 OK 13 73 - 17 - ~6963=3, ~6964=3...(8) HG LEU 126 - HA ARG 53 OK 10 92 - 11 - 1013/3.0=1, 3133/3.0=1...(4) HG2 PRO 30 - HA ARG 53 OK 10 100 - 10 - 3133/3.0=1 HB3 GLN 42 - HA ARG 53 poor 8 68 - 12 - 3.0/6799=2, 4.4/6796=2 HD3 LYS 32 - HA ARG 53 lone 7 100 - 6 - HD2 LYS 32 - HA ARG 53 lone 7 100 - 6 - HB2 LEU 59 - HA ARG 53 lone 6 93 - 6 - HD3 LYS 119 - HA ARG 53 lone 6 95 - 6 - HD2 LYS 119 - HA ARG 53 lone 6 93 - 6 - HB3 LYS 32 - HA ARG 53 lone 4 60 - 7 - 4.7/6064=1, 1.8/6068=1 Peak 3126 from cnoeabs.peaks (1.83, 3.89, 59.20 ppm; 3.77 A): 2 out of 12 assignments used, quality = 0.99: * HG3 ARG 53 + HA ARG 53 OK 97 100 - 97 - 3.9=90, 1.8/3146=13...(20) HG13 ILE 63 + HA ARG 53 OK 53 99 - 53 - 1.8/3125=6, 3134/3.0=6...(19) HG LEU 41 - HA ARG 53 OK 31 100 - 31 - 2798/3.0=5, 3134/3.0=3...(14) HB3 ARG 57 - HA ARG 53 OK 22 92 - 24 - 3.7/6070=7, 1014/3.0=3...(8) HB3 ARG 92 - HA ARG 53 OK 19 81 - 24 - 3134/3.0=3, 3154=3...(12) HB2 PRO 60 - HA ARG 53 OK 16 73 - 21 - 2.3/6066=3, 240/3.6=2...(7) HG2 GLU 73 - HA ARG 53 OK 10 97 - 10 - 240/3.6=1, 3134/3.0=1 HG3 GLU 73 - HA ARG 53 OK 10 96 - 10 - 240/3.6=1, 3134/3.0=1 HG2 GLU 75 - HA ARG 53 lone 5 93 - 5 - 240/3.6=1 HB2 GLU 69 - HA ARG 53 lone 4 99 - 4 - HG12 ILE 22 - HA ARG 53 lone 4 83 - 5 - HB3 GLN 105 - HA ARG 53 lone 4 98 - 4 - Peak 3127 from cnoeabs.peaks (3.18, 3.89, 59.20 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.95: * HD2 ARG 53 + HA ARG 53 OK 93 100 - 93 - 5.3=68, 1.8/3170=18...(15) HD3 ARG 71 + HA ARG 53 OK 37 97 - 38 - 3135/3.0=6, 1015/3.0=6...(14) HB2 HIS 10 - HA ARG 53 OK 21 73 - 28 - 1.8/3128=5, 3135/3.0=4...(11) HD3 ARG 92 - HA ARG 53 OK 15 65 - 23 - 3135/3.0=4, 3143/3.0=3...(10) HD2 ARG 92 - HA ARG 53 OK 14 63 - 23 - 3135/3.0=4, 3143/3.0=3...(10) HD2 ARG 81 - HA ARG 53 OK 12 71 - 17 - 1015/3.0=3, 3135/3.0=2...(9) Peak 3128 from cnoeabs.peaks (3.10, 3.89, 59.20 ppm; 4.91 A): 2 out of 7 assignments used, quality = 0.98: * HD3 ARG 53 + HA ARG 53 OK 95 100 - 95 - 5.3=79, 1.8/3127=21...(14) HB3 CYS 52 + HA ARG 53 OK 51 81 - 63 - ~233=22, 1016/3.0=13...(14) HB2 PHE 107 - HA ARG 53 OK 35 90 - 39 - 4.0/5614=9, 4827/3.6=8...(10) HB3 HIS 10 - HA ARG 53 OK 33 97 - 34 - 3136/3.0=5, 1.8/3127=5...(11) HD3 ARG 57 - HA ARG 53 OK 17 60 - 28 - 6.0/6070=7, 234/3.0=3...(10) HB3 CYS 76 - HA ARG 53 poor 10 85 - 12 - 1016/3.0=2, 3.0/6103=2...(4) HB3 ASP 100 - HA ARG 53 lone 6 81 - 8 - Peak 3129 from cnoeabs.peaks (8.54, 1.74, 29.79 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.99: * H ARG 53 + HB2 ARG 53 OK 99 100 - 99 - 4.0=98, 1012/1.8=19...(17) H LEU 41 - HB2 ARG 53 OK 42 100 - 43 - 946/3.0=7, 3169/3.6=6...(11) H GLY 86 - HB2 ARG 53 OK 31 90 - 34 - 3.0/6046=6, 3137/1.8=4...(11) H GLU 94 - HB2 ARG 53 OK 23 100 - 23 - 1239/1.8=3, 3121/3.0=3...(8) H GLU 38 - HB2 ARG 53 OK 13 76 - 18 - 3.9/8432=4, 3121/3.0=3...(8) Peak 3130 from cnoeabs.peaks (3.89, 1.74, 29.79 ppm; 3.78 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 53 + HB2 ARG 53 OK 100 100 - 100 - 3.0=100 HB3 SER 112 - HB2 ARG 53 OK 14 100 - 14 - 3170/3.6=2, 3154/3.0=2...(8) HB2 SER 112 - HB2 ARG 53 OK 14 100 - 14 - 3154/3.0=2, 3170/3.6=2...(8) HB3 ASN 79 - HB2 ARG 53 OK 13 100 - 13 - ~6064=2, 1010/4.0=2...(5) HB THR 95 - HB2 ARG 53 OK 13 100 - 13 - 7621/4.7=2, 3170/3.6=2...(7) HB2 SER 13 - HB2 ARG 53 OK 13 89 - 14 - 3170/3.6=2, 3.0/8691=2...(7) HB THR 62 - HB2 ARG 53 OK 12 65 - 19 - ~7113=6, ~7115=2...(9) HD2 PRO 68 - HB2 ARG 53 poor 9 71 - 13 - HD3 PRO 68 - HB2 ARG 53 poor 8 65 - 13 - HA ILE 34 - HB2 ARG 53 lone 6 90 - 7 - HA3 GLY 2 - HB2 ARG 53 lone 6 90 - 7 - HA2 GLY 2 - HB2 ARG 53 lone 6 90 - 7 - HA THR 33 - HB2 ARG 53 lone 5 65 - 8 - ~6064=1 HB THR 33 - HB2 ARG 53 lone 3 68 - 5 - Peak 3131 from cnoeabs.peaks (1.74, 1.74, 29.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 53 + HB2 ARG 53 OK 100 100 - 100 Peak 3132 from cnoeabs.peaks (2.02, 1.74, 29.79 ppm; 3.19 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ARG 53 + HB2 ARG 53 OK 100 100 - 100 - 1.8=100 HB2 GLU 56 - HB2 ARG 53 OK 31 85 - 37 - 3139=4, 3124/3.0=3...(19) HB2 LEU 55 - HB2 ARG 53 OK 24 78 - 31 - 3124/3.0=3, 3229=2...(16) HG3 PRO 60 - HB2 ARG 53 OK 15 71 - 21 - 2.3/3134=2, 3156/3.0=1...(6) HG3 PRO 37 - HB2 ARG 53 OK 13 60 - 21 - 1.8/8432=4, 2.3/8432=3...(6) HB2 LYS 46 - HB2 ARG 53 OK 12 71 - 17 - 2932=1, 3156/3.0=1 HG2 PRO 60 - HB2 ARG 53 OK 12 57 - 20 - 2.3/3134=2, ~6066=1, 3156/3.0=1 HG3 PRO 70 - HB2 ARG 53 poor 9 83 - 11 - HB2 GLU 94 - HB2 ARG 53 poor 8 71 - 11 - 4.0/3129=2, 1012/4.0=1 Peak 3133 from cnoeabs.peaks (1.61, 1.74, 29.79 ppm; 3.88 A): 2 out of 17 assignments used, quality = 1.00: * HG2 ARG 53 + HB2 ARG 53 OK 100 100 - 100 - 3.0=100 HG12 ILE 63 + HB2 ARG 53 OK 63 99 - 64 - 2.1/8310=9, 3.2/7138=9...(26) HG LEU 101 - HB2 ARG 53 OK 30 98 - 30 - 3148/1.8=3, 3151/3.6=2...(15) HD2 LYS 31 - HB2 ARG 53 OK 23 97 - 24 - 3141/1.8=2, 3157/3.0=1...(10) HD3 LYS 31 - HB2 ARG 53 OK 23 97 - 24 - 3141/1.8=2, 3157/3.0=1...(10) HB3 LEU 126 - HB2 ARG 53 OK 22 99 - 22 - 3173/3.6=2, 3157/3.0=2...(10) HB2 LEU 126 - HB2 ARG 53 OK 22 99 - 22 - 3173/3.6=2, 3157/3.0=2...(10) HG LEU 51 - HB2 ARG 53 OK 18 73 - 25 - 2.1/6964=6, ~6965=3...(11) HG LEU 126 - HB2 ARG 53 OK 15 92 - 16 - 3173/3.6=2, 3165/3.6=1...(6) HG2 PRO 30 - HB2 ARG 53 OK 14 100 - 14 - 3141/1.8=1 HB3 GLN 42 - HB2 ARG 53 poor 8 68 - 12 - ~6799=1 HD3 LYS 32 - HB2 ARG 53 lone 7 100 - 7 - HD2 LYS 32 - HB2 ARG 53 lone 7 100 - 7 - HB2 LEU 59 - HB2 ARG 53 lone 7 93 - 7 - HD3 LYS 119 - HB2 ARG 53 lone 6 95 - 6 - HD2 LYS 119 - HB2 ARG 53 lone 6 93 - 6 - HB3 LYS 32 - HB2 ARG 53 lone 4 60 - 6 - Peak 3134 from cnoeabs.peaks (1.83, 1.74, 29.79 ppm; 3.31 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 53 + HB2 ARG 53 OK 100 100 - 100 - 3.0=100 HG13 ILE 63 + HB2 ARG 53 OK 51 99 - 51 - 2.1/8310=7, 3.2/7138=6...(20) HB3 ARG 92 - HB2 ARG 53 OK 27 81 - 34 - 3155=4, 3156/1.8=3...(19) HG LEU 41 - HB2 ARG 53 OK 26 100 - 26 - 2798/4.0=3, 6765/4.7=3...(10) HB3 ARG 57 - HB2 ARG 53 OK 17 92 - 18 - 3126/3.0=2, 3142/1.8=2...(7) HB2 PRO 60 - HB2 ARG 53 OK 16 73 - 22 - 2.3/3132=2, 2.3/3132=2...(7) HG2 GLU 73 - HB2 ARG 53 OK 11 97 - 11 - 2.9/8432=2, 3174/3.6=1 HG3 GLU 73 - HB2 ARG 53 OK 11 96 - 11 - 2.9/8432=2, 3174/3.6=1 HG12 ILE 22 - HB2 ARG 53 lone 5 83 - 6 - 3.9/8427=1 HG2 GLU 75 - HB2 ARG 53 lone 4 93 - 5 - HB2 GLU 69 - HB2 ARG 53 lone 4 99 - 4 - HB3 GLN 105 - HB2 ARG 53 lone 4 98 - 4 - Peak 3135 from cnoeabs.peaks (3.18, 1.74, 29.79 ppm; 4.44 A): 1 out of 6 assignments used, quality = 1.00: * HD2 ARG 53 + HB2 ARG 53 OK 100 100 - 100 - 3.6=100 HD3 ARG 71 - HB2 ARG 53 OK 38 97 - 39 - 3127/3.0=6, 3143/1.8=6...(14) HD3 ARG 92 - HB2 ARG 53 OK 26 65 - 39 - 3.5/3134=4, 3143/1.8=3...(23) HD2 ARG 92 - HB2 ARG 53 OK 24 63 - 39 - 3.5/3134=4, 3143/1.8=3...(23) HB2 HIS 10 - HB2 ARG 53 OK 24 73 - 32 - 1.8/3136=6, 1828/3.6=4...(12) HD2 ARG 81 - HB2 ARG 53 OK 13 71 - 19 - 1015/4.0=2, 3127/3.0=2...(8) Peak 3136 from cnoeabs.peaks (3.10, 1.74, 29.79 ppm; 4.54 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 53 + HB2 ARG 53 OK 100 100 - 100 - 3.6=100 HB3 CYS 52 - HB2 ARG 53 OK 42 81 - 53 - 4.4/3129=13, 3.0/6061=7...(13) HB3 HIS 10 - HB2 ARG 53 OK 36 97 - 37 - 3144/1.8=5, 1831/3.6=5...(14) HB2 PHE 107 - HB2 ARG 53 OK 35 90 - 39 - 4.0/5615=9, 4827/4.4=6...(12) HD3 ARG 57 - HB2 ARG 53 OK 16 60 - 27 - 234/4.0=2, 3.5/3134=2...(12) HB3 CYS 76 - HB2 ARG 53 lone 8 85 - 9 - 1016/4.0=2, 3128/3.0=1...(4) HB3 ASP 100 - HB2 ARG 53 lone 6 81 - 8 - Peak 3137 from cnoeabs.peaks (8.54, 2.02, 29.79 ppm; 3.41 A): 3 out of 15 assignments used, quality = 0.94: * H ARG 53 + HB3 ARG 53 OK 85 100 - 85 - 4.0=64, 3129/1.8=14...(14) H GLU 94 + HB2 GLU 94 OK 43 55 - 79 - 4.0=60, 1240/1.8=15...(11) H LEU 41 + HB3 ARG 53 OK 34 100 - 34 - 3129/1.8=6, 946/3.0=5...(10) H GLY 86 - HB3 ARG 53 OK 25 90 - 28 - 3129/1.8=4, 3.0/6048=4...(11) H ARG 53 - HB2 GLU 56 OK 20 65 - 32 - 1012=6, 3.0/6066=4...(12) H GLU 94 - HB3 ARG 53 OK 19 100 - 19 - 3129/1.8=3, 1239=3...(8) H GLU 38 - HB3 ARG 53 poor 9 76 - 12 - 3121/3.0=2, 3129/1.8=2 H ARG 53 - HB2 GLU 94 poor 9 56 - 16 - 1012=3, 4524/1.8=2...(7) H LEU 41 - HB2 GLU 94 lone 5 56 - 9 - 4524/1.8=2, 4512/2.9=1 H GLU 38 - HB2 GLU 56 poor 5 42 - 12 - 146/1.8=2, 149=1...(4) H GLU 38 - HB2 GLU 94 poor 5 36 - 14 - 4524/1.8=3, 4512/2.9=2...(6) H GLY 86 - HB2 GLU 94 lone 3 45 - 7 - 421/1.8=1, 4512/2.9=1 H LEU 41 - HB2 GLU 56 lone 2 65 - 4 - H GLY 86 - HB2 GLU 56 lone 2 53 - 3 - H GLU 94 - HB2 GLU 56 lone 2 64 - 2 - Peak 3138 from cnoeabs.peaks (3.89, 2.02, 29.79 ppm; 3.79 A): 1 out of 42 assignments used, quality = 1.00: * HA ARG 53 + HB3 ARG 53 OK 100 100 - 100 - 3.0=100 HA ARG 53 - HB2 GLU 56 OK 37 65 - 57 - 6065/3.7=14, 6068/1.8=10...(17) HB3 SER 112 - HB3 ARG 53 OK 15 100 - 15 - 3130/1.8=2, 3170/3.6=2...(8) HB2 SER 112 - HB3 ARG 53 OK 15 100 - 15 - 3130/1.8=2, 3154/3.0=2...(9) HB THR 62 - HB3 ARG 53 OK 15 65 - 22 - 2.1/7113=8, 3130/1.8=2...(10) HD2 PRO 68 - HB2 GLU 56 OK 15 39 - 38 - 6069/1.8=4, 1635/3.7=3...(21) HB THR 95 - HB3 ARG 53 OK 14 100 - 14 - 3130/1.8=2, 7621/4.7=2...(7) HB3 ASN 79 - HB3 ARG 53 OK 14 100 - 14 - 3130/1.8=2, ~6064=2...(5) HB2 SER 13 - HB3 ARG 53 OK 14 89 - 16 - 3130/1.8=2, 3170/3.6=2...(9) HD3 PRO 68 - HB2 GLU 56 OK 13 35 - 38 - 6069/1.8=4, ~6069=3...(20) HA ARG 53 - HB2 GLU 94 OK 11 56 - 19 - 3124=2, 3121/4.0=2...(7) HD2 PRO 68 - HB3 ARG 53 poor 9 71 - 13 - 3130/1.8=2 HB THR 95 - HB2 GLU 94 poor 8 56 - 15 - 4.1/467=8, ~8530=3...(4) HD3 PRO 68 - HB3 ARG 53 poor 8 65 - 12 - 3130/1.8=1, ~3130=1 HB3 SER 112 - HB2 GLU 56 poor 7 64 - 12 - 1640/4.6=2, 6069/1.8=2...(5) HB2 SER 112 - HB2 GLU 56 poor 7 63 - 12 - 1640/4.6=2, 6069/1.8=2...(5) HD2 PRO 68 - HB2 GLU 94 poor 7 33 - 23 - ~4526=2, ~4528=2...(4) HD3 PRO 68 - HB2 GLU 94 poor 7 30 - 22 - ~4526=2, ~4528=2, 2.3/3242=1 HA2 GLY 2 - HB3 ARG 53 lone 6 90 - 7 - 3130/1.8=1 HA3 GLY 2 - HB3 ARG 53 lone 6 90 - 7 - 3130/1.8=1 HA ILE 34 - HB3 ARG 53 lone 5 90 - 6 - 3130/1.8=1 HA THR 33 - HB3 ARG 53 lone 5 65 - 8 - ~6064=1 HB THR 62 - HB2 GLU 56 poor 5 35 - 15 - 2.1/7113=4, 7108/3.0=3...(6) HB3 ASN 79 - HB2 GLU 56 lone 5 64 - 8 - 6069/1.8=1, 1635/3.7=1 HB3 ASN 79 - HB2 GLU 94 lone 4 55 - 7 - 1245/4.7=4, 7374/2.9=2 HB THR 95 - HB2 GLU 56 lone 3 65 - 5 - HB THR 33 - HB3 ARG 53 lone 3 68 - 5 - HA ILE 34 - HB2 GLU 56 lone 2 53 - 4 - HB2 SER 13 - HB2 GLU 56 lone 2 51 - 3 - HA2 GLY 2 - HB2 GLU 56 lone 2 53 - 3 - HA3 GLY 2 - HB2 GLU 56 lone 2 53 - 3 - HA THR 33 - HB2 GLU 56 lone 1 35 - 3 - HB THR 33 - HB2 GLU 56 lone 1 37 - 2 - HB3 SER 112 - HB2 GLU 94 lone 1 56 - 1 - HB2 SER 112 - HB2 GLU 94 lone 1 55 - 1 - HB THR 62 - HB2 GLU 94 lone 1 30 - 2 - HA ILE 34 - HB2 GLU 94 lone 0 45 - 1 - HB2 SER 13 - HB2 GLU 94 lone 0 44 - 1 - HA3 GLY 2 - HB2 GLU 94 lone 0 45 - 1 - HA2 GLY 2 - HB2 GLU 94 lone 0 45 - 1 - HA THR 33 - HB2 GLU 94 lone 0 30 - 1 - HB THR 33 - HB2 GLU 94 lone 0 31 - 1 - Peak 3139 from cnoeabs.peaks (1.74, 2.02, 29.79 ppm; 3.22 A): 1 out of 45 assignments used, quality = 1.00: * HB2 ARG 53 + HB3 ARG 53 OK 100 100 - 100 - 1.8=100 HB2 ARG 53 - HB2 GLU 56 OK 26 65 - 40 - 3132=7, 3.0/6066=4...(20) HG2 ARG 71 - HB3 ARG 53 OK 24 100 - 24 - 3.0/3143=2, 3163/3.6=2...(11) HB3 LEU 55 - HB3 ARG 53 OK 22 73 - 30 - ~3132=2, 3123/3.0=2...(18) HG3 ARG 71 - HB3 ARG 53 OK 22 92 - 24 - 3.0/3143=2, 3163/3.6=2...(11) HB VAL 66 - HB3 ARG 53 OK 18 99 - 18 - 1011/4.0=2, 3123/3.0=2...(11) HB3 LYS 46 - HB3 ARG 53 OK 15 97 - 16 - ~3132=1, 3155/3.0=1 HB3 ARG 71 - HB3 ARG 53 OK 15 95 - 16 - 3861/3.6=2, 3.6/3143=2...(6) HB2 LYS 31 - HB3 ARG 53 OK 13 89 - 15 - 3861/3.6=1 HB2 LEU 91 - HB3 ARG 53 lone 7 99 - 7 - HB2 ARG 53 - HB2 GLU 94 poor 7 56 - 12 - 3132=2, 3129/4.0=2...(4) HG2 GLN 42 - HB3 ARG 53 lone 7 87 - 7 - ~6799=1 HG3 PRO 30 - HB3 ARG 53 lone 6 78 - 8 - HG LEU 117 - HB2 GLU 56 poor 6 45 - 13 - 2.1/6909=1, ~3277=1 HB3 LEU 55 - HB2 GLU 56 poor 6 40 - 15 - 4.2/1033=5, ~8500=1...(5) HG LEU 117 - HB3 ARG 53 lone 6 81 - 7 - 237/4.4=1 HB2 LEU 45 - HB3 ARG 53 lone 5 96 - 6 - HB VAL 66 - HB2 GLU 56 lone 4 63 - 6 - ~7026=1, ~7025=1, ~8436=1 HB VAL 66 - HB2 GLU 94 lone 2 54 - 4 - HD2 LYS 109 - HB3 ARG 53 lone 2 81 - 2 - HB3 ARG 71 - HB2 GLU 56 lone 2 57 - 3 - 4.0/331=1 HB3 LEU 55 - HB2 GLU 94 lone 2 34 - 5 - HB2 LEU 91 - HB2 GLU 56 lone 2 62 - 3 - HD3 LYS 109 - HB3 ARG 53 lone 1 73 - 2 - HG2 ARG 71 - HB2 GLU 56 lone 1 65 - 2 - HB2 LYS 31 - HB2 GLU 56 lone 1 51 - 3 - 253/3.7=2 HB3 LYS 46 - HB2 GLU 94 lone 1 52 - 2 - HG3 ARG 71 - HB2 GLU 56 lone 1 54 - 2 - HB2 LEU 91 - HB2 GLU 94 lone 1 54 - 2 - HG LEU 117 - HB2 GLU 94 lone 1 39 - 2 - HB2 LEU 45 - HB2 GLU 94 lone 1 50 - 2 - HG2 ARG 71 - HB2 GLU 94 lone 1 56 - 1 - HB3 ARG 71 - HB2 GLU 94 lone 1 49 - 1 - HG2 GLN 42 - HB2 GLU 56 lone 1 50 - 1 - HG3 PRO 30 - HB2 GLU 56 lone 1 44 - 1 - HG3 ARG 71 - HB2 GLU 94 lone 1 47 - 1 - HG3 PRO 30 - HB2 GLU 94 lone 1 37 - 1 - HB3 LYS 46 - HB2 GLU 56 lone 1 60 - 1 - HB2 LEU 45 - HB2 GLU 56 lone 0 58 - 1 - HB2 LYS 31 - HB2 GLU 94 lone 0 44 - 1 - HD2 LYS 109 - HB2 GLU 94 lone 0 39 - 1 - HG2 GLN 42 - HB2 GLU 94 lone 0 43 - 1 - HD3 LYS 109 - HB2 GLU 94 lone 0 34 - 1 - HD2 LYS 109 - HB2 GLU 56 lone 0 45 - 1 - HD3 LYS 109 - HB2 GLU 56 lone 0 40 - 1 - Peak 3140 from cnoeabs.peaks (2.02, 2.02, 29.79 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 53 + HB3 ARG 53 OK 100 100 - 100 HB2 GLU 56 + HB2 GLU 56 OK 48 48 - 100 HB2 GLU 94 - HB2 GLU 94 OK 33 33 - 100 Peak 3141 from cnoeabs.peaks (1.61, 2.02, 29.79 ppm; 3.80 A): 2 out of 51 assignments used, quality = 1.00: * HG2 ARG 53 + HB3 ARG 53 OK 100 100 - 100 - 3.0=100 HG12 ILE 63 + HB3 ARG 53 OK 60 99 - 61 - 2.1/8309=9, ~8310=8...(24) HG12 ILE 63 - HB2 GLU 56 OK 34 62 - 55 - 7133/3.7=9, ~7026=5...(26) HG LEU 101 - HB3 ARG 53 OK 28 98 - 29 - 3148=4, 3133/1.8=3...(15) HG2 ARG 53 - HB2 GLU 56 OK 25 65 - 39 - 3.0/3132=5, 3148=5...(14) HB3 LEU 126 - HB3 ARG 53 OK 22 99 - 22 - 3173/3.6=2, 3133/1.8=2...(11) HB2 LEU 126 - HB3 ARG 53 OK 22 99 - 22 - 3173/3.6=2, 3133/1.8=2...(11) HD2 LYS 31 - HB3 ARG 53 OK 21 97 - 22 - 3133/1.8=2, ~3133=2...(7) HD3 LYS 31 - HB3 ARG 53 OK 21 97 - 22 - 3133/1.8=2, ~3133=2...(7) HG LEU 51 - HB3 ARG 53 OK 17 73 - 23 - 2.1/6965=4, ~6964=4...(11) HG LEU 126 - HB3 ARG 53 OK 14 92 - 16 - 3173/3.6=2, 3133/1.8=1...(5) HG2 PRO 30 - HB3 ARG 53 OK 13 100 - 13 - 3133/1.8=1 HB2 LEU 59 - HB3 ARG 53 lone 9 93 - 9 - 7078/7113=1 HG2 ARG 53 - HB2 GLU 94 poor 7 56 - 13 - 3145/4.0=2, 3148=1...(6) HB2 LEU 59 - HB2 GLU 56 poor 7 55 - 13 - 3.7/7074=4, 4.8/3435=2...(5) HB3 GLN 42 - HB3 ARG 53 poor 7 68 - 10 - ~6799=1 HD2 LYS 32 - HB3 ARG 53 lone 7 100 - 7 - HD3 LYS 32 - HB3 ARG 53 lone 7 100 - 7 - HD3 LYS 119 - HB3 ARG 53 lone 6 95 - 6 - HD2 LYS 119 - HB3 ARG 53 lone 6 93 - 6 - HG12 ILE 63 - HB2 GLU 94 lone 4 53 - 7 - 2.1/8309=1 HD3 LYS 119 - HB2 GLU 56 lone 4 57 - 7 - 5240/4.6=2, 7021/3.7=1 HD2 LYS 119 - HB2 GLU 56 lone 4 55 - 7 - 5240/4.6=2, 7021/3.7=1 HD3 LYS 32 - HB2 GLU 56 lone 3 65 - 5 - HD2 LYS 32 - HB2 GLU 56 lone 3 65 - 5 - HB3 LYS 32 - HB3 ARG 53 lone 3 60 - 5 - HB3 LEU 126 - HB2 GLU 56 lone 2 62 - 4 - HB2 LEU 126 - HB2 GLU 56 lone 2 62 - 4 - HG LEU 101 - HB2 GLU 56 lone 2 61 - 4 - HD2 LYS 31 - HB2 GLU 56 lone 2 59 - 4 - 7021/3.7=1 HD3 LYS 31 - HB2 GLU 56 lone 2 59 - 4 - 7021/3.7=1 HG LEU 126 - HB2 GLU 56 lone 2 54 - 4 - HG2 PRO 30 - HB2 GLU 56 lone 2 64 - 3 - HG LEU 51 - HB2 GLU 56 lone 2 40 - 4 - HG LEU 101 - HB2 GLU 94 lone 2 52 - 3 - HG2 PRO 30 - HB2 GLU 94 lone 1 56 - 2 - HB3 LYS 32 - HB2 GLU 56 lone 1 32 - 4 - HG LEU 51 - HB2 GLU 94 lone 1 34 - 3 - 3088/4.7=1 HB3 GLN 42 - HB2 GLU 56 lone 1 37 - 2 - HB2 LEU 59 - HB2 GLU 94 lone 1 48 - 1 - HD3 LYS 119 - HB2 GLU 94 lone 1 49 - 1 - HD2 LYS 119 - HB2 GLU 94 lone 1 48 - 1 - HD2 LYS 31 - HB2 GLU 94 lone 1 51 - 1 - HD3 LYS 31 - HB2 GLU 94 lone 1 51 - 1 - HB3 LEU 126 - HB2 GLU 94 lone 1 54 - 1 - HB2 LEU 126 - HB2 GLU 94 lone 1 53 - 1 - HG LEU 126 - HB2 GLU 94 lone 0 47 - 1 - HD2 LYS 32 - HB2 GLU 94 lone 0 56 - 1 - HD3 LYS 32 - HB2 GLU 94 lone 0 56 - 1 - HB3 GLN 42 - HB2 GLU 94 lone 0 31 - 1 - HB3 LYS 32 - HB2 GLU 94 lone 0 27 - 1 - Peak 3142 from cnoeabs.peaks (1.83, 2.02, 29.79 ppm; 3.32 A): 2 out of 36 assignments used, quality = 1.00: * HG3 ARG 53 + HB3 ARG 53 OK 100 100 - 100 - 3.0=100 HG13 ILE 63 + HB3 ARG 53 OK 50 99 - 51 - 2.1/8309=7, 3134/1.8=6...(20) HG13 ILE 63 - HB2 GLU 56 OK 26 62 - 42 - 7132/3.7=6, ~7026=4...(15) HG LEU 41 - HB3 ARG 53 OK 25 100 - 26 - 2798/4.0=3, 3134/1.8=3...(10) HB3 ARG 92 - HB3 ARG 53 OK 25 81 - 32 - 3156=4, 3134/1.8=3...(17) HB2 PRO 60 - HB2 GLU 56 OK 24 40 - 60 - ~7024=6, ~3278=5...(32) HG3 ARG 53 - HB2 GLU 56 OK 19 65 - 29 - 3156=4, 3.0/3132=4...(10) HB3 ARG 57 - HB3 ARG 53 OK 18 92 - 19 - 3134/1.8=2, 3126/3.0=2...(7) HB2 PRO 60 - HB3 ARG 53 OK 14 73 - 19 - 3134/1.8=2, 3126/3.0=1...(6) HG2 GLU 73 - HB3 ARG 53 OK 11 97 - 11 - 3134/1.8=1, ~8432=1, 3174/3.6=1 HG3 GLU 73 - HB3 ARG 53 OK 11 96 - 11 - 3134/1.8=1, ~8432=1, 3174/3.6=1 HB3 ARG 57 - HB2 GLU 56 OK 10 54 - 19 - 3307/4.6=5, ~3294=1, 3307/3.7=1 HB3 ARG 92 - HB2 GLU 56 poor 6 45 - 13 - ~4425=2, 3156=1, ~4423=1...(5) HG3 ARG 53 - HB2 GLU 94 lone 6 56 - 10 - 3153/4.0=1, 3156=1 HB2 GLU 69 - HB3 ARG 53 lone 5 99 - 5 - HG12 ILE 22 - HB3 ARG 53 lone 5 83 - 6 - HG2 GLU 75 - HB3 ARG 53 lone 4 93 - 5 - HG LEU 41 - HB2 GLU 94 lone 4 55 - 7 - 2798/4.0=2 HB3 GLN 105 - HB3 ARG 53 lone 4 98 - 4 - HG13 ILE 63 - HB2 GLU 94 lone 3 54 - 5 - 2.1/8309=1 HG2 GLU 75 - HB2 GLU 56 lone 3 55 - 5 - HB2 GLU 69 - HB2 GLU 56 lone 2 63 - 4 - 4.8/3793=1, 4.8/3800=1 HG LEU 41 - HB2 GLU 56 lone 2 63 - 4 - HB3 GLN 105 - HB2 GLU 94 lone 1 52 - 2 - HB2 GLU 69 - HB2 GLU 94 lone 1 54 - 2 - HB3 GLN 105 - HB2 GLU 56 lone 1 61 - 2 - HG12 ILE 22 - HB2 GLU 56 lone 1 47 - 2 - HG2 GLU 73 - HB2 GLU 56 lone 1 59 - 1 - HG3 GLU 73 - HB2 GLU 56 lone 1 58 - 1 - HB3 ARG 92 - HB2 GLU 94 lone 1 39 - 2 - HB2 PRO 60 - HB2 GLU 94 lone 1 34 - 2 - HB3 ARG 57 - HB2 GLU 94 lone 1 47 - 1 - HG2 GLU 73 - HB2 GLU 94 lone 0 51 - 1 - HG12 ILE 22 - HB2 GLU 94 lone 0 40 - 1 - HG2 GLU 75 - HB2 GLU 94 lone 0 48 - 1 - HG3 GLU 73 - HB2 GLU 94 lone 0 50 - 1 - Peak 3143 from cnoeabs.peaks (3.18, 2.02, 29.79 ppm; 4.43 A): 1 out of 18 assignments used, quality = 1.00: * HD2 ARG 53 + HB3 ARG 53 OK 100 100 - 100 - 3.6=100 HD3 ARG 71 - HB3 ARG 53 OK 40 97 - 41 - 3135/1.8=7, 3127/3.0=6...(17) HD3 ARG 92 - HB3 ARG 53 OK 25 65 - 38 - 3135/1.8=4, 3.5/3156=3...(22) HB2 HIS 10 - HB3 ARG 53 OK 24 73 - 33 - 1.8/3144=5, 3135/1.8=4...(12) HD2 ARG 92 - HB3 ARG 53 OK 23 63 - 38 - 3135/1.8=4, 3.5/3156=3...(22) HD2 ARG 53 - HB2 GLU 56 OK 21 65 - 33 - 3.6/3132=5, 1.8/3172=5...(10) HD2 ARG 81 - HB3 ARG 53 OK 13 71 - 19 - 3135/1.8=2, 1015/4.0=2...(8) HD2 ARG 81 - HB2 GLU 56 OK 13 39 - 33 - ~6114=3, 7443/3.0=3...(19) HD2 ARG 53 - HB2 GLU 94 poor 7 56 - 12 - 3161/4.0=2, 1.8/3172=1...(6) HD3 ARG 92 - HB2 GLU 56 poor 4 35 - 12 - 3.5/3156=1 HD2 ARG 92 - HB2 GLU 56 poor 4 33 - 12 - 3.5/3156=1 HD3 ARG 71 - HB2 GLU 56 lone 3 60 - 5 - 6.2/331=1 HD3 ARG 71 - HB2 GLU 94 lone 1 52 - 2 - HB2 HIS 10 - HB2 GLU 56 lone 1 40 - 2 - HD2 ARG 81 - HB2 GLU 94 lone 1 33 - 2 - HB2 HIS 10 - HB2 GLU 94 lone 0 34 - 1 - HD3 ARG 92 - HB2 GLU 94 lone 0 30 - 1 - HD2 ARG 92 - HB2 GLU 94 lone 0 28 - 1 - Peak 3144 from cnoeabs.peaks (3.10, 2.02, 29.79 ppm; 4.35 A): 1 out of 21 assignments used, quality = 1.00: * HD3 ARG 53 + HB3 ARG 53 OK 100 100 - 100 - 3.6=100 HB3 CYS 52 - HB3 ARG 53 OK 41 81 - 51 - 4.4/1012=12, ~6061=7...(13) HB3 HIS 10 - HB3 ARG 53 OK 34 97 - 35 - 3136/1.8=5, 1831/3.6=4...(14) HB2 PHE 107 - HB3 ARG 53 OK 32 90 - 35 - 4.0/5616=6, 4827/4.4=6...(12) HD3 ARG 53 - HB2 GLU 56 OK 21 65 - 33 - 3172=5, 3.6/3132=5...(11) HD3 ARG 57 - HB3 ARG 53 OK 15 60 - 25 - 3136/1.8=2, 234/4.0=2...(13) HD3 ARG 57 - HB2 GLU 56 poor 8 32 - 25 - 3339/4.6=5, ~3334=2...(8) HB3 CYS 76 - HB3 ARG 53 lone 7 85 - 9 - 1016/4.0=1, 3136/1.8=1 HD3 ARG 53 - HB2 GLU 94 poor 7 56 - 12 - 3169/4.0=3, 3172=2...(6) HB3 ASP 100 - HB3 ARG 53 lone 6 81 - 7 - HB3 CYS 52 - HB2 GLU 56 poor 5 45 - 10 - 4.4/1012=4, 3117/4.6=2 HB3 CYS 52 - HB2 GLU 94 lone 3 39 - 7 - 5613/4.0=2, 4.4/1012=2 HB2 PHE 107 - HB2 GLU 56 lone 3 53 - 5 - HB3 HIS 10 - HB2 GLU 56 lone 1 60 - 2 - HB3 ASP 100 - HB2 GLU 56 lone 1 45 - 3 - HB2 PHE 107 - HB2 GLU 94 lone 1 45 - 3 - HB3 CYS 76 - HB2 GLU 56 lone 1 48 - 2 - HB3 HIS 10 - HB2 GLU 94 lone 1 52 - 1 - HB3 CYS 76 - HB2 GLU 94 lone 1 41 - 1 - HB3 ASP 100 - HB2 GLU 94 lone 0 39 - 1 - HD3 ARG 57 - HB2 GLU 94 lone 0 27 - 2 - Peak 3145 from cnoeabs.peaks (8.54, 1.61, 27.58 ppm; 3.96 A): 3 out of 10 assignments used, quality = 0.95: * H ARG 53 + HG2 ARG 53 OK 88 100 - 88 - 5.0=51, 1012/3.0=15...(19) H LEU 41 + HG2 ARG 53 OK 46 100 - 47 - 946/1.8=9, 3169/3.0=6...(12) H GLY 86 + HG2 ARG 53 OK 31 90 - 34 - 3153/1.8=5, 3129/3.0=4...(12) H GLU 94 - HG2 ARG 53 OK 20 100 - 20 - 3129/3.0=3, 3153/1.8=3...(6) H ARG 53 - HG LEU 101 OK 19 97 - 20 - 1013=3, 3.0/3146=2...(7) H LEU 41 - HG LEU 101 OK 14 97 - 15 - ~7702=2, 4.5/8635=2...(6) H GLU 38 - HG2 ARG 53 OK 10 76 - 13 - 3121/3.9=2, 3129/3.0=2...(6) H GLU 94 - HG LEU 101 lone 8 96 - 8 - 7614/2.1=4 H GLY 86 - HG LEU 101 lone 5 84 - 6 - H GLU 38 - HG LEU 101 lone 3 70 - 4 - Peak 3146 from cnoeabs.peaks (3.89, 1.61, 27.58 ppm; 3.79 A): 1 out of 28 assignments used, quality = 0.98: * HA ARG 53 + HG2 ARG 53 OK 98 100 - 98 - 3.9=92, 3126/1.8=13...(20) HA ARG 53 - HG LEU 101 OK 19 97 - 19 - 3125=3, 3.0/3148=2...(9) HB THR 62 - HG2 ARG 53 OK 16 65 - 25 - ~7113=4, ~6970=4...(12) HB2 SER 13 - HG2 ARG 53 OK 16 89 - 18 - 3170/3.0=2, 3154/1.8=2...(8) HB3 SER 112 - HG2 ARG 53 OK 16 100 - 16 - 3154/1.8=2, 3170/3.0=2...(9) HB2 SER 112 - HG2 ARG 53 OK 16 100 - 16 - 3154/1.8=2, 3170/3.0=2...(9) HB THR 95 - HG2 ARG 53 OK 13 100 - 13 - 7621/4.0=2, 3170/3.0=2...(7) HB THR 95 - HG LEU 101 poor 10 97 - 10 - 4549/2.1=4, ~4545=2 HB3 ASN 79 - HG2 ARG 53 lone 9 100 - 9 - 3130/3.0=2, 1010/5.0=1...(6) HD2 PRO 68 - HG2 ARG 53 poor 7 71 - 10 - 3130/3.0=1, 3154/1.8=1 HA2 GLY 2 - HG2 ARG 53 lone 7 90 - 7 - HA3 GLY 2 - HG2 ARG 53 lone 7 90 - 7 - HD3 PRO 68 - HG2 ARG 53 poor 7 65 - 10 - 3130/3.0=1 HA ILE 34 - HG LEU 101 lone 6 84 - 8 - ~8251=2 HA THR 33 - HG2 ARG 53 lone 4 65 - 7 - HA THR 33 - HG LEU 101 lone 4 60 - 7 - HB THR 33 - HG LEU 101 lone 4 62 - 6 - HB THR 33 - HG2 ARG 53 lone 4 68 - 6 - HA ILE 34 - HG2 ARG 53 lone 4 90 - 4 - HA3 GLY 2 - HG LEU 101 lone 2 84 - 3 - HA2 GLY 2 - HG LEU 101 lone 2 84 - 3 - HB2 SER 13 - HG LEU 101 lone 2 82 - 2 - HB THR 62 - HG LEU 101 lone 2 60 - 3 - HB3 SER 112 - HG LEU 101 lone 2 96 - 2 - HB3 ASN 79 - HG LEU 101 lone 2 96 - 2 - HB2 SER 112 - HG LEU 101 lone 2 96 - 2 - HD2 PRO 68 - HG LEU 101 lone 1 65 - 1 - HD3 PRO 68 - HG LEU 101 lone 1 60 - 1 - Peak 3147 from cnoeabs.peaks (1.74, 1.61, 27.58 ppm; 3.49 A): 1 out of 30 assignments used, quality = 1.00: * HB2 ARG 53 + HG2 ARG 53 OK 100 100 - 100 - 3.0=100 HB2 LEU 45 - HG LEU 101 OK 41 90 - 46 - 6839/2.1=8, ~6840=6...(18) HB2 LEU 91 - HG LEU 101 OK 40 95 - 43 - 8362/2.1=5, 4382/3.0=5...(20) HG2 ARG 71 - HG2 ARG 53 OK 35 100 - 35 - 3.0/3151=3, 3155/1.8=3...(19) HG3 ARG 71 - HG2 ARG 53 OK 32 92 - 34 - 3.0/3151=3, 3155/1.8=3...(19) HB3 LYS 46 - HG LEU 101 OK 31 92 - 34 - 3.0/6860=6, ~6859=4...(11) HB2 ARG 53 - HG LEU 101 OK 25 97 - 26 - 3133=3, 1.8/3148=3...(12) HB3 ARG 71 - HG2 ARG 53 OK 25 95 - 26 - 3861/3.0=3, 3.6/3151=3...(12) HB3 LEU 55 - HG2 ARG 53 OK 24 73 - 33 - 1.8/3148=3, 4.2/7021=2...(17) HG2 GLN 42 - HG LEU 101 OK 23 81 - 29 - ~6801=5, 7705/2.1=4...(11) HB VAL 66 - HG2 ARG 53 OK 20 99 - 20 - 1011/5.0=2, 3155/1.8=2...(9) HB3 ARG 71 - HG LEU 101 OK 19 89 - 21 - ~7704=2, 7705/2.1=2...(11) HB3 LYS 46 - HG2 ARG 53 OK 18 97 - 19 - 3.0/6860=2, 3155/1.8=2...(7) HG3 PRO 30 - HG LEU 101 OK 18 72 - 26 - ~8249=3, 8247/2.1=2...(15) HG2 ARG 71 - HG LEU 101 OK 18 97 - 18 - 7705/2.1=2, ~7703=2...(9) HB2 LYS 31 - HG2 ARG 53 OK 16 89 - 18 - 3861/3.0=2, 3155/1.8=2...(5) HG3 ARG 71 - HG LEU 101 OK 15 86 - 18 - 7705/2.1=2, ~7703=2...(9) HB2 LYS 31 - HG LEU 101 OK 15 82 - 18 - 8742/2.1=1, 7705/2.1=1...(8) HG3 PRO 30 - HG2 ARG 53 poor 8 78 - 11 - HB2 LEU 91 - HG2 ARG 53 lone 8 99 - 8 - HG2 GLN 42 - HG2 ARG 53 lone 7 87 - 8 - HG LEU 117 - HG2 ARG 53 lone 6 81 - 8 - ~6970=1 HB2 LEU 45 - HG2 ARG 53 lone 6 96 - 6 - HB3 LEU 55 - HG LEU 101 lone 4 67 - 5 - HD2 LYS 109 - HG LEU 101 lone 3 74 - 4 - HG LEU 117 - HG LEU 101 lone 3 74 - 3 - HB VAL 66 - HG LEU 101 lone 2 95 - 3 - HD3 LYS 109 - HG LEU 101 lone 2 67 - 3 - HD2 LYS 109 - HG2 ARG 53 lone 2 81 - 3 - HD3 LYS 109 - HG2 ARG 53 lone 2 73 - 3 - Peak 3148 from cnoeabs.peaks (2.02, 1.61, 27.58 ppm; 3.65 A): 1 out of 18 assignments used, quality = 1.00: * HB3 ARG 53 + HG2 ARG 53 OK 100 100 - 100 - 3.0=100 HB2 GLU 56 - HG2 ARG 53 OK 30 85 - 35 - 3132/3.0=4, 3156/1.8=4...(13) HB2 LEU 55 - HG2 ARG 53 OK 27 78 - 35 - 3132/3.0=3, 3156/1.8=3...(15) HG3 PRO 70 - HG LEU 101 OK 27 77 - 36 - 3833/3.0=4, ~7716=4...(15) HB3 ARG 53 - HG LEU 101 OK 25 97 - 26 - 1.8/3133=3, 3141=3...(13) HB2 LYS 46 - HG LEU 101 OK 21 65 - 32 - 3.0/6860=6, ~6859=5...(10) HG3 PRO 60 - HG2 ARG 53 OK 18 71 - 25 - 3156/1.8=2, 3132/3.0=2...(7) HB2 LYS 46 - HG2 ARG 53 OK 14 71 - 19 - 3.0/6860=3, 3156/1.8=2...(7) HG2 PRO 60 - HG2 ARG 53 OK 14 57 - 24 - 3156/1.8=2, 3132/3.0=2...(8) HG3 PRO 70 - HG2 ARG 53 OK 12 83 - 15 - 3156/1.8=2, 3132/3.0=1...(5) HG3 PRO 37 - HG2 ARG 53 OK 12 60 - 20 - ~8432=3, 3132/3.0=2...(10) HB2 GLU 94 - HG2 ARG 53 poor 8 71 - 11 - 4.0/3145=2, 3132/3.0=1...(4) HB2 LEU 55 - HG LEU 101 lone 4 72 - 5 - HG3 PRO 37 - HG LEU 101 lone 3 55 - 6 - ~7701=1 HB2 GLU 56 - HG LEU 101 lone 2 79 - 3 - HG3 PRO 60 - HG LEU 101 lone 2 65 - 3 - HB2 GLU 94 - HG LEU 101 lone 2 65 - 3 - HG2 PRO 60 - HG LEU 101 lone 1 52 - 2 - Peak 3149 from cnoeabs.peaks (1.61, 1.61, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 53 + HG2 ARG 53 OK 100 100 - 100 HG LEU 101 + HG LEU 101 OK 93 93 - 100 Peak 3150 from cnoeabs.peaks (1.83, 1.61, 27.58 ppm; 2.88 A): 2 out of 24 assignments used, quality = 1.00: * HG3 ARG 53 + HG2 ARG 53 OK 100 100 - 100 - 1.8=100 HG13 ILE 63 + HG2 ARG 53 OK 45 99 - 46 - 3530=4, 2.1/3537=4...(25) HB3 ARG 92 - HG2 ARG 53 OK 24 81 - 31 - 3157=4, ~4425=3...(13) HG LEU 41 - HG2 ARG 53 OK 23 100 - 24 - 6765/4.0=3, 3174/3.0=2...(14) HG3 ARG 53 - HG LEU 101 OK 17 97 - 18 - 3157=3, 3.0/3151=1...(6) HB3 ARG 57 - HG2 ARG 53 OK 13 92 - 14 - 3134/3.0=1, 3174/3.0=1 HB2 PRO 60 - HG2 ARG 53 OK 10 73 - 14 - 3134/3.0=1, 2.3/3148=1 HG2 GLU 73 - HG2 ARG 53 lone 9 97 - 9 - HG3 GLU 73 - HG2 ARG 53 lone 9 96 - 9 - HB3 ARG 57 - HG LEU 101 lone 8 86 - 9 - 7037/2.1=1 HG LEU 41 - HG LEU 101 lone 6 96 - 6 - 6766/4.9=1 HB2 GLU 69 - HG LEU 101 lone 5 95 - 5 - HB2 GLU 69 - HG2 ARG 53 lone 4 99 - 4 - HG2 GLU 75 - HG LEU 101 lone 3 87 - 4 - HG12 ILE 22 - HG2 ARG 53 lone 3 83 - 4 - HB3 GLN 105 - HG2 ARG 53 lone 3 98 - 3 - HG2 GLU 75 - HG2 ARG 53 lone 3 93 - 3 - HG13 ILE 63 - HG LEU 101 lone 3 95 - 3 - HG12 ILE 22 - HG LEU 101 lone 2 77 - 2 - HB2 PRO 60 - HG LEU 101 lone 1 67 - 2 - HB3 GLN 105 - HG LEU 101 lone 1 93 - 1 - HG2 GLU 73 - HG LEU 101 lone 1 91 - 1 - HG3 GLU 73 - HG LEU 101 lone 1 90 - 1 - HB3 ARG 92 - HG LEU 101 lone 1 74 - 1 - Peak 3151 from cnoeabs.peaks (3.18, 1.61, 27.58 ppm; 3.78 A): 1 out of 12 assignments used, quality = 1.00: * HD2 ARG 53 + HG2 ARG 53 OK 100 100 - 100 - 3.0=100 HD3 ARG 71 - HG2 ARG 53 OK 34 97 - 35 - 3159/1.8=4, 3135/3.0=4...(16) HD2 ARG 53 - HG LEU 101 OK 24 97 - 25 - 1.8/3152=3, 3165=3...(11) HD3 ARG 92 - HG2 ARG 53 OK 22 65 - 34 - 3135/3.0=3, 3.5/3150=3...(20) HB2 HIS 10 - HG2 ARG 53 OK 22 73 - 30 - 1.8/3152=4, 1828/3.0=4...(15) HD2 ARG 92 - HG2 ARG 53 OK 21 63 - 34 - 3.5/3150=3, 3135/3.0=2...(21) HD3 ARG 71 - HG LEU 101 OK 17 92 - 19 - 7703/2.1=3, ~7703=3...(9) HD2 ARG 81 - HG2 ARG 53 OK 11 71 - 16 - 8539/4.0=1, 3135/3.0=1...(8) HD2 ARG 81 - HG LEU 101 lone 4 65 - 5 - 7703/2.1=1, ~8152=1 HD3 ARG 92 - HG LEU 101 lone 1 60 - 2 - HD2 ARG 92 - HG LEU 101 lone 1 57 - 2 - HB2 HIS 10 - HG LEU 101 lone 1 67 - 1 - Peak 3152 from cnoeabs.peaks (3.10, 1.61, 27.58 ppm; 3.86 A): 1 out of 14 assignments used, quality = 1.00: * HD3 ARG 53 + HG2 ARG 53 OK 100 100 - 100 - 3.0=100 HB3 CYS 52 - HG2 ARG 53 OK 39 81 - 48 - 4.4/3145=7, 3160/1.8=5...(19) HB3 HIS 10 - HG2 ARG 53 OK 34 97 - 34 - 3160/1.8=4, 1831/3.0=4...(17) HB2 PHE 107 - HG LEU 101 OK 32 84 - 38 - ~8152=12, ~4807=8...(10) HB2 PHE 107 - HG2 ARG 53 OK 28 90 - 31 - 4.0/5617=5, 3160/1.8=4...(16) HD3 ARG 53 - HG LEU 101 OK 26 97 - 27 - 1.8/3151=4, 3173=4...(12) HD3 ARG 57 - HG2 ARG 53 OK 12 60 - 21 - 3160/1.8=2, 3136/3.0=2...(7) HD3 ARG 57 - HG LEU 101 poor 8 55 - 14 - ~7037=2, 498/4.9=1, ~8744=1 HB3 ASP 100 - HG LEU 101 lone 7 74 - 10 - 498/4.9=6, 8150/7734=2 HB3 CYS 76 - HG2 ARG 53 lone 6 85 - 7 - HB3 ASP 100 - HG2 ARG 53 lone 6 81 - 7 - HB3 CYS 52 - HG LEU 101 lone 4 74 - 5 - 4.4/3145=2 HB3 CYS 76 - HG LEU 101 lone 2 79 - 2 - 498/4.9=1 HB3 HIS 10 - HG LEU 101 lone 1 92 - 1 - Peak 3153 from cnoeabs.peaks (8.54, 1.83, 27.58 ppm; 3.81 A): 3 out of 10 assignments used, quality = 0.95: * H ARG 53 + HG3 ARG 53 OK 86 100 - 86 - 5.0=45, 1012/3.0=14...(20) H LEU 41 + HG3 ARG 53 OK 54 100 - 54 - 946=11, 3145/1.8=7...(17) H GLY 86 + HG3 ARG 53 OK 29 90 - 32 - 3145/1.8=4, 3129/3.0=4...(12) H GLU 94 - HG3 ARG 53 OK 20 100 - 20 - 3129/3.0=3, 3145/1.8=3...(7) H ARG 53 - HB3 ARG 92 OK 19 81 - 23 - 1496/4.2=4, 1014=3...(11) H GLU 94 - HB3 ARG 92 OK 14 80 - 18 - 458/4.2=12, 458/5.1=1...(4) H GLU 38 - HG3 ARG 53 OK 10 76 - 13 - 3121/3.9=2, 3129/3.0=2...(6) H LEU 41 - HB3 ARG 92 lone 7 80 - 9 - 1496/4.2=2, 946=1 H GLY 86 - HB3 ARG 92 lone 6 67 - 8 - 1496/4.2=2, 7516/3.6=2 H GLU 38 - HB3 ARG 92 lone 2 54 - 4 - 1496/4.2=2 Peak 3154 from cnoeabs.peaks (3.89, 1.83, 27.58 ppm; 3.92 A): 1 out of 28 assignments used, quality = 1.00: * HA ARG 53 + HG3 ARG 53 OK 100 100 - 100 - 3.9=100 HA ARG 53 - HB3 ARG 92 OK 20 81 - 26 - 3126=3, 3.0/3134=3...(12) HB3 SER 112 - HG3 ARG 53 OK 17 100 - 17 - 3146/1.8=2, 3170/3.0=2...(9) HB2 SER 112 - HG3 ARG 53 OK 17 100 - 17 - 3146/1.8=2, 3170/3.0=2...(9) HB2 SER 13 - HG3 ARG 53 OK 17 89 - 19 - 3170/3.0=2, 3146/1.8=2...(11) HB THR 62 - HG3 ARG 53 OK 16 65 - 25 - ~7113=5, ~6970=4...(11) HB THR 95 - HG3 ARG 53 OK 13 100 - 13 - 7621/4.0=3, 3170/3.0=2...(7) HD2 PRO 68 - HB3 ARG 92 OK 12 50 - 25 - 3.6/8430=2, ~3735=2...(15) HD3 PRO 68 - HB3 ARG 92 OK 11 46 - 25 - 3.6/8430=2, ~3735=2...(15) HB3 ASN 79 - HG3 ARG 53 lone 9 100 - 9 - 3130/3.0=2, 1010/5.0=1...(6) HD2 PRO 68 - HG3 ARG 53 poor 9 71 - 12 - 3130/3.0=1, 3146/1.8=1 HD3 PRO 68 - HG3 ARG 53 poor 8 65 - 12 - 3130/3.0=1 HA2 GLY 2 - HG3 ARG 53 lone 7 90 - 8 - HA3 GLY 2 - HG3 ARG 53 lone 7 90 - 8 - HB THR 95 - HB3 ARG 92 lone 5 80 - 7 - 7621/4.2=3, 7621/5.1=1 HA THR 33 - HG3 ARG 53 lone 5 65 - 7 - HA ILE 34 - HG3 ARG 53 lone 4 90 - 5 - HB THR 33 - HG3 ARG 53 lone 4 68 - 5 - HB THR 62 - HB3 ARG 92 lone 1 46 - 3 - HB3 SER 112 - HB3 ARG 92 lone 1 80 - 1 - HB2 SER 112 - HB3 ARG 92 lone 1 79 - 1 - HB3 ASN 79 - HB3 ARG 92 lone 1 80 - 1 - HB2 SER 13 - HB3 ARG 92 lone 1 65 - 1 - HA ILE 34 - HB3 ARG 92 lone 1 67 - 1 - HA3 GLY 2 - HB3 ARG 92 lone 1 67 - 1 - HA2 GLY 2 - HB3 ARG 92 lone 1 67 - 1 - HA THR 33 - HB3 ARG 92 lone 0 46 - 1 - HB THR 33 - HB3 ARG 92 lone 0 48 - 1 - Peak 3155 from cnoeabs.peaks (1.74, 1.83, 27.58 ppm; 3.33 A): 1 out of 30 assignments used, quality = 1.00: * HB2 ARG 53 + HG3 ARG 53 OK 100 100 - 100 - 3.0=100 HG2 ARG 71 - HG3 ARG 53 OK 30 100 - 30 - 3163/3.0=3, 3171/3.0=3...(16) HB2 ARG 53 - HB3 ARG 92 OK 28 81 - 35 - 3134=5, 1.8/3156=3...(19) HG3 ARG 71 - HG3 ARG 53 OK 27 92 - 30 - 3163/3.0=2, 3.0/3159=2...(17) HB3 ARG 71 - HG3 ARG 53 OK 21 95 - 22 - 3861/3.0=3, 3.6/3159=2...(8) HB3 LEU 55 - HG3 ARG 53 OK 20 73 - 28 - 1.8/3156=3, 3123/3.9=2...(14) HB VAL 66 - HG3 ARG 53 OK 18 99 - 18 - 1011/5.0=2, 3123/3.9=2...(9) HB3 LYS 46 - HG3 ARG 53 OK 16 97 - 16 - 1.8/3156=2, ~6860=1...(6) HB2 LYS 31 - HG3 ARG 53 OK 15 89 - 16 - 3861/3.0=2, 3139/3.0=1 HB2 LEU 91 - HB3 ARG 92 OK 14 78 - 18 - 7581/4.2=6, 7581/5.1=2...(4) HB VAL 66 - HB3 ARG 92 poor 9 79 - 11 - 3665/3.6=3, ~7179=1...(4) HB2 LEU 91 - HG3 ARG 53 lone 8 99 - 8 - 4.2/1225=2 HG3 PRO 30 - HG3 ARG 53 lone 7 78 - 9 - HG2 GLN 42 - HG3 ARG 53 lone 7 87 - 8 - 5.2/172=1 HB3 LEU 55 - HB3 ARG 92 poor 7 52 - 13 - 7002/4.2=2, 7002/5.1=1 HG LEU 117 - HG3 ARG 53 lone 5 81 - 7 - ~6970=1 HB2 LEU 45 - HG3 ARG 53 lone 5 96 - 5 - HB2 LYS 31 - HB3 ARG 92 lone 4 65 - 5 - HB3 LYS 46 - HB3 ARG 92 lone 3 75 - 4 - HD2 LYS 109 - HB3 ARG 92 lone 2 58 - 4 - HG LEU 117 - HB3 ARG 92 lone 2 58 - 4 - 7594/4.2=2 HG2 ARG 71 - HB3 ARG 92 lone 2 80 - 2 - HD2 LYS 109 - HG3 ARG 53 lone 2 81 - 2 - HD3 LYS 109 - HB3 ARG 92 lone 2 52 - 3 - HB3 ARG 71 - HB3 ARG 92 lone 2 72 - 2 - HD3 LYS 109 - HG3 ARG 53 lone 2 73 - 2 - HG3 ARG 71 - HB3 ARG 92 lone 1 69 - 2 - HB2 LEU 45 - HB3 ARG 92 lone 1 73 - 2 - HG3 PRO 30 - HB3 ARG 92 lone 1 56 - 2 - HG2 GLN 42 - HB3 ARG 92 lone 1 64 - 2 - Peak 3156 from cnoeabs.peaks (2.02, 1.83, 27.58 ppm; 3.54 A): 1 out of 18 assignments used, quality = 1.00: * HB3 ARG 53 + HG3 ARG 53 OK 100 100 - 100 - 3.0=100 HB3 ARG 53 - HB3 ARG 92 OK 27 81 - 34 - 1.8/3134=4, 3142=3...(17) HB2 GLU 56 - HG3 ARG 53 OK 27 85 - 32 - 3132/3.0=4, 3124/3.9=3...(12) HB2 LEU 55 - HG3 ARG 53 OK 25 78 - 32 - 3132/3.0=3, 3172/3.0=3...(13) HG3 PRO 60 - HG3 ARG 53 OK 17 71 - 23 - 3132/3.0=2, 3148/1.8=2...(5) HB2 LYS 46 - HG3 ARG 53 OK 13 71 - 18 - 1.8/3155=2, 3132/3.0=2...(7) HG2 PRO 60 - HG3 ARG 53 OK 13 57 - 22 - 3132/3.0=2, 3148/1.8=1...(6) HG3 PRO 70 - HG3 ARG 53 OK 12 83 - 14 - 3148/1.8=1, 3132/3.0=1...(4) HG3 PRO 37 - HG3 ARG 53 OK 12 60 - 19 - ~8432=3, 3132/3.0=2...(9) HB2 GLU 56 - HB3 ARG 92 poor 9 62 - 14 - ~4425=2, ~4423=1...(5) HB2 LEU 55 - HB3 ARG 92 poor 8 56 - 14 - 7001/4.2=3, 7001/5.1=1 HB2 GLU 94 - HG3 ARG 53 poor 8 71 - 11 - 4.0/3153=2, 3132/3.0=1 HG3 PRO 60 - HB3 ARG 92 lone 2 50 - 4 - HB2 LYS 46 - HB3 ARG 92 lone 2 50 - 3 - HG2 PRO 60 - HB3 ARG 92 lone 1 39 - 3 - HB2 GLU 94 - HB3 ARG 92 lone 1 50 - 2 - 4.0/3153=1 HG3 PRO 70 - HB3 ARG 92 lone 1 60 - 2 - HG3 PRO 37 - HB3 ARG 92 lone 1 42 - 2 - Peak 3157 from cnoeabs.peaks (1.61, 1.83, 27.58 ppm; 2.98 A): 2 out of 34 assignments used, quality = 1.00: * HG2 ARG 53 + HG3 ARG 53 OK 100 100 - 100 - 1.8=100 HG12 ILE 63 + HG3 ARG 53 OK 46 99 - 47 - 3524=5, 2.1/3538=4...(27) HG2 ARG 53 - HB3 ARG 92 OK 26 81 - 33 - 3150=4, ~4425=3...(13) HG LEU 101 - HG3 ARG 53 OK 19 98 - 20 - 3150=3, 3151/3.0=2...(6) HB3 LEU 126 - HG3 ARG 53 OK 17 99 - 17 - 3173/3.0=2, 3165/3.0=1 HB2 LEU 126 - HG3 ARG 53 OK 17 99 - 17 - 3173/3.0=2, 3165/3.0=1 HD2 LYS 31 - HG3 ARG 53 OK 13 97 - 14 - 3133/3.0=1 HD3 LYS 31 - HG3 ARG 53 OK 13 97 - 14 - 3133/3.0=1 HG LEU 51 - HG3 ARG 53 OK 12 73 - 16 - 2.1/6967=2, ~6964=1...(6) HG LEU 126 - HG3 ARG 53 OK 12 92 - 13 - ~6971=1, 3173/3.0=1, ~6968=1 HG2 PRO 30 - HG3 ARG 53 lone 8 100 - 8 - HB2 LEU 59 - HG3 ARG 53 lone 5 93 - 5 - HG12 ILE 63 - HB3 ARG 92 lone 4 77 - 6 - HB3 GLN 42 - HG3 ARG 53 lone 4 68 - 6 - 4.0/172=1 HD3 LYS 32 - HG3 ARG 53 lone 4 100 - 3 - HD2 LYS 32 - HG3 ARG 53 lone 4 100 - 3 - HD3 LYS 119 - HG3 ARG 53 lone 3 95 - 3 - HD2 LYS 119 - HG3 ARG 53 lone 3 93 - 3 - HB3 LEU 126 - HB3 ARG 92 lone 3 78 - 4 - HB2 LEU 126 - HB3 ARG 92 lone 3 77 - 4 - HD3 LYS 31 - HB3 ARG 92 lone 2 74 - 2 - HD2 LYS 31 - HB3 ARG 92 lone 2 74 - 2 - HG LEU 126 - HB3 ARG 92 lone 2 69 - 2 - HB3 LYS 32 - HG3 ARG 53 lone 2 60 - 3 - HG LEU 101 - HB3 ARG 92 lone 1 76 - 1 - HD3 LYS 119 - HB3 ARG 92 lone 1 72 - 1 - HD2 LYS 119 - HB3 ARG 92 lone 1 70 - 1 - HD3 LYS 32 - HB3 ARG 92 lone 1 81 - 1 - HD2 LYS 32 - HB3 ARG 92 lone 1 81 - 1 - HB2 LEU 59 - HB3 ARG 92 lone 1 70 - 1 - HG2 PRO 30 - HB3 ARG 92 lone 1 80 - 1 - HG LEU 51 - HB3 ARG 92 lone 1 52 - 1 - HB3 LYS 32 - HB3 ARG 92 lone 0 42 - 1 - HB3 GLN 42 - HB3 ARG 92 lone 0 48 - 1 - Peak 3158 from cnoeabs.peaks (1.83, 1.83, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 53 + HG3 ARG 53 OK 100 100 - 100 HB3 ARG 92 + HB3 ARG 92 OK 58 58 - 100 Peak 3159 from cnoeabs.peaks (3.18, 1.83, 27.58 ppm; 3.72 A): 2 out of 12 assignments used, quality = 1.00: * HD2 ARG 53 + HG3 ARG 53 OK 100 100 - 100 - 3.0=100 HD3 ARG 92 + HB3 ARG 92 OK 46 46 - 100 - 3.5=100 HD2 ARG 92 - HB3 ARG 92 OK 44 44 - 100 - 3.5=100 HD3 ARG 71 - HG3 ARG 53 OK 35 97 - 36 - 3151/1.8=5, 3135/3.0=4...(15) HD2 ARG 53 - HB3 ARG 92 OK 30 81 - 37 - 1.8/3160=5, 3166=4...(16) HD3 ARG 92 - HG3 ARG 53 OK 22 65 - 34 - 3.5/4425=3, 3151/1.8=3...(17) HB2 HIS 10 - HG3 ARG 53 OK 22 73 - 29 - 1.8/3160=4, 1828/3.0=3...(15) HD2 ARG 92 - HG3 ARG 53 OK 21 63 - 33 - 3.5/4425=3, 3151/1.8=3...(18) HD2 ARG 81 - HG3 ARG 53 OK 11 71 - 15 - 3151/1.8=2, 8539/4.0=1...(8) HD2 ARG 81 - HB3 ARG 92 poor 6 50 - 12 - 7443/3.0=1 HD3 ARG 71 - HB3 ARG 92 lone 2 75 - 2 - HB2 HIS 10 - HB3 ARG 92 lone 1 52 - 2 - Peak 3160 from cnoeabs.peaks (3.10, 1.83, 27.58 ppm; 3.74 A): 1 out of 14 assignments used, quality = 1.00: * HD3 ARG 53 + HG3 ARG 53 OK 100 100 - 100 - 3.0=100 HB3 CYS 52 - HG3 ARG 53 OK 36 81 - 45 - 4.4/3153=7, 3152/1.8=4...(19) HD3 ARG 53 - HB3 ARG 92 OK 35 81 - 44 - 3174=5, 8429/3.0=4...(20) HB3 HIS 10 - HG3 ARG 53 OK 30 97 - 31 - 1831/3.0=4, 3152/1.8=4...(15) HB2 PHE 107 - HG3 ARG 53 OK 27 90 - 30 - 4.0/5618=6, 3152/1.8=3...(12) HD3 ARG 57 - HG3 ARG 53 OK 14 60 - 23 - 1.8/3334=2, 3342=2...(9) HB3 CYS 76 - HG3 ARG 53 lone 6 85 - 7 - HB3 ASP 100 - HG3 ARG 53 lone 5 81 - 6 - 3.0/7695=1 HD3 ARG 57 - HB3 ARG 92 poor 5 42 - 11 - 1.8/3334=1, 2.9/3326=1...(4) HB3 CYS 52 - HB3 ARG 92 lone 3 58 - 5 - 4.4/3153=1, 3.0/8284=1 HB3 HIS 10 - HB3 ARG 92 lone 2 75 - 3 - HB2 PHE 107 - HB3 ARG 92 lone 1 67 - 2 - HB3 CYS 76 - HB3 ARG 92 lone 1 62 - 1 - HB3 ASP 100 - HB3 ARG 92 lone 1 58 - 1 - Peak 3161 from cnoeabs.peaks (8.54, 3.18, 43.53 ppm; 4.56 A): 2 out of 10 assignments used, quality = 0.95: * H ARG 53 + HD2 ARG 53 OK 88 100 - 88 - 6.3=37, 1016/1.8=16...(19) H LEU 41 + HD2 ARG 53 OK 57 100 - 58 - 3169/1.8=10, 946/3.0=9...(15) H GLY 86 - HD2 ARG 53 OK 32 90 - 35 - 3169/1.8=6, 3129/3.6=5...(10) H GLU 94 - HD2 ARG 53 OK 22 100 - 22 - 3169/1.8=4, 3129/3.6=4...(6) H GLU 38 - HD2 ARG 53 OK 13 76 - 17 - 3169/1.8=3, 3129/3.6=2...(7) H ARG 53 - HD2 ARG 81 OK 11 57 - 19 - 1015=4, 234/1.8=2...(6) H LEU 41 - HD2 ARG 81 lone 5 57 - 9 - ~8259=1, 4.6/950=1 H GLU 38 - HD2 ARG 81 lone 2 37 - 7 - ~6720=2 H GLY 86 - HD2 ARG 81 lone 2 47 - 4 - H GLU 94 - HD2 ARG 81 lone 1 57 - 2 - Peak 3162 from cnoeabs.peaks (3.89, 3.18, 43.53 ppm; 4.04 A): 6 out of 28 assignments used, quality = 0.91: * HA ARG 53 + HD2 ARG 53 OK 82 100 - 82 - 5.3=44, 3170/1.8=15...(14) HB2 SER 13 + HD2 ARG 53 OK 17 89 - 19 - 3.0/8690=5, 3170/1.8=3...(8) HB3 SER 112 + HD2 ARG 53 OK 14 100 - 14 - 3170/1.8=3, ~3170=2...(8) HB2 SER 112 + HD2 ARG 53 OK 14 100 - 14 - 3170/1.8=3, ~3170=2...(8) HB THR 95 + HD2 ARG 53 OK 14 100 - 14 - 7621/2.9=4, 3170/1.8=3...(6) HB THR 62 + HD2 ARG 53 OK 12 65 - 18 - ~6970=6, 3170/1.8=3...(7) HB3 ASN 79 - HD2 ARG 53 lone 8 100 - 8 - 3170/1.8=2, 3130/3.6=2 HA ARG 53 - HD2 ARG 81 poor 8 57 - 14 - 3127=2, 3.0/1015=2...(6) HB THR 62 - HD2 ARG 81 poor 7 31 - 22 - 7107/3.5=3, 3491/4.7=3...(11) HD2 PRO 68 - HD2 ARG 53 lone 6 71 - 9 - 3170/1.8=1, 3130/3.6=1 HA2 GLY 2 - HD2 ARG 53 lone 6 90 - 7 - 3170/1.8=1 HA3 GLY 2 - HD2 ARG 53 lone 6 90 - 7 - 3170/1.8=1 HD3 PRO 68 - HD2 ARG 53 lone 6 65 - 9 - 3170/1.8=1, 3130/3.6=1 HA ILE 34 - HD2 ARG 53 lone 5 90 - 5 - HA THR 33 - HD2 ARG 53 lone 4 65 - 6 - HB THR 33 - HD2 ARG 53 lone 3 68 - 4 - HB THR 95 - HD2 ARG 81 lone 1 57 - 2 - HB3 ASN 79 - HD2 ARG 81 lone 1 57 - 2 - HB3 SER 112 - HD2 ARG 81 lone 1 57 - 2 - HB2 SER 112 - HD2 ARG 81 lone 1 56 - 2 - HB2 SER 13 - HD2 ARG 81 lone 1 45 - 2 - HD2 PRO 68 - HD2 ARG 81 lone 1 34 - 2 - HD3 PRO 68 - HD2 ARG 81 lone 1 31 - 2 - HA ILE 34 - HD2 ARG 81 lone 1 47 - 1 - HA2 GLY 2 - HD2 ARG 81 lone 0 47 - 1 - HA3 GLY 2 - HD2 ARG 81 lone 0 47 - 1 - HA THR 33 - HD2 ARG 81 lone 0 31 - 1 - HB THR 33 - HD2 ARG 81 lone 0 32 - 1 - Peak 3163 from cnoeabs.peaks (1.74, 3.18, 43.53 ppm; 3.34 A): 3 out of 30 assignments used, quality = 0.94: * HB2 ARG 53 + HD2 ARG 53 OK 88 100 - 88 - 3.6=82, 3.0/3127=8...(11) HG2 ARG 71 + HD2 ARG 53 OK 33 100 - 33 - 3869=4, 3171/1.8=3...(15) HG3 ARG 71 + HD2 ARG 53 OK 30 92 - 32 - 3869=4, 3.0/3861=3...(15) HB3 ARG 71 - HD2 ARG 53 OK 24 95 - 26 - 3861=4, 1.8/3853=4...(11) HB3 LEU 55 - HD2 ARG 53 OK 17 73 - 24 - 1.8/3164=3, ~3172=2...(13) HB VAL 66 - HD2 ARG 53 OK 15 99 - 15 - ~7184=2, 3171/1.8=2...(9) HG2 ARG 71 - HD2 ARG 81 OK 14 57 - 24 - 3.0/3885=3, 3869=3...(9) HB2 LYS 31 - HD2 ARG 53 OK 12 89 - 13 - 3861=2, 3171/1.8=1, 3155/3.0=1 HG3 ARG 71 - HD2 ARG 81 OK 11 48 - 24 - 3.0/3885=3, 3877=3...(9) HB3 LYS 46 - HD2 ARG 53 OK 11 97 - 11 - 3171/1.8=1, 1.8/3164=1...(5) HB3 ARG 71 - HD2 ARG 81 poor 8 50 - 16 - 1.8/3853=3, 3.6/3885=3...(6) HG2 GLN 42 - HD2 ARG 81 poor 7 44 - 16 - 8268/1.8=3, ~6780=2...(7) HB2 ARG 53 - HD2 ARG 81 poor 7 57 - 11 - 3135=1, 4.0/1015=1...(5) HG3 PRO 30 - HD2 ARG 53 lone 6 78 - 8 - HB2 LEU 91 - HD2 ARG 53 lone 5 99 - 5 - HG LEU 117 - HD2 ARG 53 lone 5 81 - 6 - ~6970=2 HB2 LEU 45 - HD2 ARG 53 lone 4 96 - 4 - HB VAL 66 - HD2 ARG 81 lone 4 56 - 7 - ~7189=1, ~7184=1 HG2 GLN 42 - HD2 ARG 53 lone 4 87 - 4 - HB3 LEU 55 - HD2 ARG 81 lone 2 35 - 5 - 8295/2.9=1 HB2 LEU 45 - HD2 ARG 81 lone 1 51 - 3 - HD2 LYS 109 - HD2 ARG 53 lone 1 81 - 2 - HG LEU 117 - HD2 ARG 81 lone 1 40 - 3 - 5152/4.7=1 HB3 LYS 46 - HD2 ARG 81 lone 1 53 - 2 - HD3 LYS 109 - HD2 ARG 53 lone 1 73 - 1 - HB2 LYS 31 - HD2 ARG 81 lone 1 45 - 2 - HB2 LEU 91 - HD2 ARG 81 lone 1 55 - 2 - HG3 PRO 30 - HD2 ARG 81 lone 1 38 - 2 - HD2 LYS 109 - HD2 ARG 81 lone 0 40 - 1 - HD3 LYS 109 - HD2 ARG 81 lone 0 35 - 1 - Peak 3164 from cnoeabs.peaks (2.02, 3.18, 43.53 ppm; 3.81 A): 1 out of 18 assignments used, quality = 1.00: * HB3 ARG 53 + HD2 ARG 53 OK 100 100 - 100 - 3.6=100 HB2 LEU 55 - HD2 ARG 53 OK 24 78 - 31 - 3172/1.8=4, 3132/3.6=3...(13) HB2 GLU 56 - HD2 ARG 53 OK 21 85 - 24 - 3132/3.6=4, 3172/1.8=4...(10) HG3 PRO 60 - HD2 ARG 53 OK 12 71 - 18 - 3172/1.8=2, 3132/3.6=2...(7) HB2 LYS 46 - HD2 ARG 53 OK 11 71 - 15 - 3172/1.8=2, 3132/3.6=2...(7) HB2 GLU 56 - HD2 ARG 81 OK 10 43 - 24 - ~6114=2, 3143=1...(11) HG3 PRO 37 - HD2 ARG 53 poor 10 60 - 16 - ~6973=3, 1.8/6974=3...(9) HG2 PRO 60 - HD2 ARG 53 poor 9 57 - 16 - 3172/1.8=2, ~3172=2...(8) HG3 PRO 70 - HD2 ARG 53 poor 9 83 - 11 - 3172/1.8=2, 3156/3.0=1...(4) HB3 ARG 53 - HD2 ARG 81 poor 8 57 - 14 - 1.8/3135=2, 3143=2...(7) HB2 GLU 94 - HD2 ARG 53 lone 6 71 - 9 - 4.0/3161=2, 3172/1.8=1 HB2 LEU 55 - HD2 ARG 81 lone 3 38 - 7 - 8294/2.9=1, ~8295=1 HG3 PRO 70 - HD2 ARG 81 lone 2 41 - 4 - HG3 PRO 60 - HD2 ARG 81 lone 1 34 - 4 - HG3 PRO 37 - HD2 ARG 81 lone 1 28 - 5 - HG2 PRO 60 - HD2 ARG 81 lone 1 26 - 5 - HB2 LYS 46 - HD2 ARG 81 lone 1 34 - 2 - HB2 GLU 94 - HD2 ARG 81 lone 0 34 - 1 - Peak 3165 from cnoeabs.peaks (1.61, 3.18, 43.53 ppm; 3.41 A): 1 out of 34 assignments used, quality = 1.00: * HG2 ARG 53 + HD2 ARG 53 OK 100 100 - 100 - 3.0=100 HG12 ILE 63 - HD2 ARG 53 OK 43 99 - 44 - 3173/1.8=5, 1.8/3166=5...(21) HB3 LEU 126 - HD2 ARG 53 OK 23 99 - 23 - 3.1/6968=3, 3173/1.8=3...(9) HB2 LEU 126 - HD2 ARG 53 OK 22 99 - 23 - 3.1/6968=3, 3173/1.8=3...(9) HG LEU 101 - HD2 ARG 53 OK 21 98 - 21 - 3151=3, 3152/1.8=3...(8) HG12 ILE 63 - HD2 ARG 81 OK 17 55 - 32 - 2.1/8647=3, 3521/3.5=2...(14) HG LEU 126 - HD2 ARG 53 OK 17 92 - 19 - 2.1/6968=3, ~6971=2...(7) HG LEU 51 - HD2 ARG 53 OK 14 73 - 19 - 2.1/6969=4, ~6972=2...(7) HD3 LYS 31 - HD2 ARG 53 OK 13 97 - 13 - 3.4/3861=2, 3173/1.8=2...(4) HD2 LYS 31 - HD2 ARG 53 OK 13 97 - 13 - 3.4/3861=2, 3173/1.8=2...(4) HG2 PRO 30 - HD2 ARG 53 lone 9 100 - 9 - 3173/1.8=1 HG2 ARG 53 - HD2 ARG 81 poor 8 57 - 13 - 3151=2, 4.0/8539=1...(5) HB2 LEU 59 - HD2 ARG 53 lone 6 93 - 7 - 3.2/6968=1 HB3 GLN 42 - HD2 ARG 81 poor 6 32 - 20 - ~8268=2, ~6774=2...(10) HD3 LYS 32 - HD2 ARG 53 lone 4 100 - 4 - HD2 LYS 32 - HD2 ARG 53 lone 4 100 - 4 - HD3 LYS 119 - HD2 ARG 53 lone 3 95 - 3 - HD2 LYS 119 - HD2 ARG 53 lone 3 93 - 3 - HB3 GLN 42 - HD2 ARG 53 lone 3 68 - 4 - HD3 LYS 119 - HD2 ARG 81 lone 3 50 - 6 - HD2 LYS 119 - HD2 ARG 81 lone 3 49 - 6 - HG LEU 101 - HD2 ARG 81 lone 3 54 - 5 - 2.1/7703=1 HB3 LEU 126 - HD2 ARG 81 lone 2 55 - 4 - HB2 LEU 126 - HD2 ARG 81 lone 2 55 - 4 - HG LEU 126 - HD2 ARG 81 lone 2 48 - 3 - HB3 LYS 32 - HD2 ARG 53 lone 2 60 - 3 - HG LEU 51 - HD2 ARG 81 lone 1 35 - 4 - 3.0/6937=1 HG2 PRO 30 - HD2 ARG 81 lone 1 57 - 2 - HD2 LYS 31 - HD2 ARG 81 lone 1 52 - 2 - HD3 LYS 31 - HD2 ARG 81 lone 1 52 - 2 - HB2 LEU 59 - HD2 ARG 81 lone 1 49 - 1 - HD3 LYS 32 - HD2 ARG 81 lone 0 57 - 1 - HD2 LYS 32 - HD2 ARG 81 lone 0 57 - 1 - HB3 LYS 32 - HD2 ARG 81 lone 0 28 - 1 - Peak 3166 from cnoeabs.peaks (1.83, 3.18, 43.53 ppm; 3.34 A): 1 out of 24 assignments used, quality = 1.00: * HG3 ARG 53 + HD2 ARG 53 OK 100 100 - 100 - 3.0=100 HG13 ILE 63 - HD2 ARG 53 OK 43 99 - 44 - 3174/1.8=6, 3150/3.0=5...(20) HG LEU 41 - HD2 ARG 53 OK 36 100 - 36 - 2.1/6968=5, 6765/2.9=4...(15) HB3 ARG 92 - HD2 ARG 53 OK 25 81 - 32 - 3160/1.8=4, 3159=3...(14) HB3 ARG 57 - HD2 ARG 81 OK 22 48 - 47 - 3314/1.8=4, ~3330=3...(26) HG13 ILE 63 - HD2 ARG 81 OK 19 55 - 35 - 2.1/8647=3, 3530/3.0=2...(18) HB3 ARG 57 - HD2 ARG 53 OK 15 92 - 17 - 3174/1.8=2, 3134/3.6=1...(4) HG2 GLU 73 - HD2 ARG 53 OK 12 97 - 13 - 3174/1.8=2, 2.9/6974=2...(4) HG3 GLU 73 - HD2 ARG 53 OK 12 96 - 12 - 3174/1.8=2, 2.9/6974=2...(4) HB2 PRO 60 - HD2 ARG 53 poor 10 73 - 13 - 2.3/3164=1, 3134/3.6=1...(5) HG2 GLU 73 - HD2 ARG 81 poor 8 52 - 15 - 2.9/4118=2, 2.9/6974=1...(5) HG3 GLU 73 - HD2 ARG 81 poor 8 51 - 15 - 2.9/4118=2, 2.9/6974=1...(5) HG3 ARG 53 - HD2 ARG 81 poor 7 57 - 13 - 1.8/3151=1, 3159=1...(5) HG12 ILE 22 - HD2 ARG 53 lone 5 83 - 6 - 3.9/8428=1 HB2 GLU 69 - HD2 ARG 53 lone 4 99 - 4 - HB3 ARG 92 - HD2 ARG 81 lone 4 40 - 10 - HG2 GLU 75 - HD2 ARG 53 lone 3 93 - 3 - HB3 GLN 105 - HD2 ARG 53 lone 3 98 - 3 - HG LEU 41 - HD2 ARG 81 lone 2 56 - 4 - HG2 GLU 75 - HD2 ARG 81 lone 1 49 - 3 - HB2 PRO 60 - HD2 ARG 81 lone 1 35 - 4 - HG12 ILE 22 - HD2 ARG 81 lone 1 41 - 3 - HB3 GLN 105 - HD2 ARG 81 lone 1 54 - 2 - HB2 GLU 69 - HD2 ARG 81 lone 0 56 - 1 - Peak 3167 from cnoeabs.peaks (3.18, 3.18, 43.53 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 53 + HD2 ARG 53 OK 100 100 - 100 HD2 ARG 81 - HD2 ARG 81 OK 34 34 - 100 Peak 3168 from cnoeabs.peaks (3.10, 3.18, 43.53 ppm; 2.40 A): 1 out of 14 assignments used, quality = 1.00: * HD3 ARG 53 + HD2 ARG 53 OK 100 100 - 100 - 1.8=100 HB3 HIS 10 - HD2 ARG 53 OK 16 97 - 16 - 1831=4, ~1828=2...(7) HB3 CYS 52 - HD2 ARG 53 OK 13 81 - 16 - 4.4/1015=3, 3.0/8428=2...(9) HB2 PHE 107 - HD2 ARG 53 lone 8 90 - 8 - 3160/3.0=1 HB2 PHE 107 - HD2 ARG 81 poor 7 47 - 15 - 4833/2.9=2, 2.4/4813=2...(7) HD3 ARG 57 - HD2 ARG 81 poor 5 28 - 19 - ~3338=2, ~3330=1...(7) HD3 ARG 53 - HD2 ARG 81 lone 4 57 - 6 - 3175=2 HD3 ARG 57 - HD2 ARG 53 lone 3 60 - 5 - HB3 CYS 76 - HD2 ARG 53 lone 2 85 - 2 - HB3 ASP 100 - HD2 ARG 53 lone 2 81 - 2 - HB3 CYS 52 - HD2 ARG 81 lone 1 40 - 2 - HB3 HIS 10 - HD2 ARG 81 lone 0 53 - 1 - HB3 CYS 76 - HD2 ARG 81 lone 0 43 - 1 - HB3 ASP 100 - HD2 ARG 81 lone 0 40 - 1 - Peak 3169 from cnoeabs.peaks (8.54, 3.10, 43.53 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.96: * H ARG 53 + HD3 ARG 53 OK 90 100 - 91 - 6.3=39, 1015/1.8=21...(21) H LEU 41 + HD3 ARG 53 OK 61 100 - 61 - 3161/1.8=10, 946/3.0=9...(17) H GLY 86 - HD3 ARG 53 OK 34 90 - 38 - 3161/1.8=5, 3129/3.6=5...(12) H GLU 94 - HD3 ARG 53 OK 24 100 - 24 - 3129/3.6=4, 3161/1.8=4...(7) H GLU 38 - HD3 ARG 53 OK 15 76 - 19 - 3.9/6973=2, 3129/3.6=2...(8) Peak 3170 from cnoeabs.peaks (3.89, 3.10, 43.53 ppm; 4.13 A): 6 out of 14 assignments used, quality = 0.92: * HA ARG 53 + HD3 ARG 53 OK 82 100 - 82 - 5.3=47, 3127/1.8=15...(13) HB2 SER 13 + HD3 ARG 53 OK 17 89 - 20 - 3.0/8689=4, ~8690=3...(8) HB3 SER 112 + HD3 ARG 53 OK 15 100 - 15 - 3162/1.8=2, 3154/3.0=2...(8) HB2 SER 112 + HD3 ARG 53 OK 15 100 - 15 - 3162/1.8=2, 3154/3.0=2...(8) HB THR 95 + HD3 ARG 53 OK 14 100 - 14 - 7621/2.9=4, 3162/1.8=2...(6) HB THR 62 + HD3 ARG 53 OK 14 65 - 22 - 2.1/6970=9, ~7115=2...(7) HB3 ASN 79 - HD3 ARG 53 lone 9 100 - 9 - 3130/3.6=2, 3162/1.8=1...(4) HD2 PRO 68 - HD3 ARG 53 poor 7 71 - 10 - 3130/3.6=1, 3162/1.8=1 HA2 GLY 2 - HD3 ARG 53 lone 6 90 - 7 - 3162/1.8=1 HA3 GLY 2 - HD3 ARG 53 lone 6 90 - 7 - 3162/1.8=1 HD3 PRO 68 - HD3 ARG 53 lone 6 65 - 10 - 3130/3.6=1 HA ILE 34 - HD3 ARG 53 lone 5 90 - 5 - ~6624=1 HA THR 33 - HD3 ARG 53 lone 4 65 - 7 - HB THR 33 - HD3 ARG 53 lone 3 68 - 5 - Peak 3171 from cnoeabs.peaks (1.74, 3.10, 43.53 ppm; 3.80 A): 1 out of 15 assignments used, quality = 1.00: * HB2 ARG 53 + HD3 ARG 53 OK 100 100 - 100 - 3.6=100 HG2 ARG 71 - HD3 ARG 53 OK 34 100 - 34 - 3163/1.8=4, 3.0/3175=4...(17) HG3 ARG 71 - HD3 ARG 53 OK 31 92 - 34 - 3163/1.8=4, 3.0/3175=4...(17) HB3 ARG 71 - HD3 ARG 53 OK 25 95 - 26 - 3861/1.8=5, ~3853=3...(11) HB3 LEU 55 - HD3 ARG 53 OK 22 73 - 31 - 1.8/3172=4, 3.1/6971=4...(13) HB VAL 66 - HD3 ARG 53 OK 21 99 - 22 - 2.1/7184=3, 2.1/7189=3...(10) HB3 LYS 46 - HD3 ARG 53 OK 15 97 - 15 - 1.8/3172=2, 3163/1.8=2...(7) HB2 LYS 31 - HD3 ARG 53 OK 14 89 - 16 - 3861/1.8=3, 3155/3.0=1...(5) HG LEU 117 - HD3 ARG 53 lone 8 81 - 10 - 2.1/6970=3 HG3 PRO 30 - HD3 ARG 53 lone 7 78 - 9 - 1.8/3173=1 HB2 LEU 91 - HD3 ARG 53 lone 7 99 - 7 - HG2 GLN 42 - HD3 ARG 53 lone 5 87 - 6 - HB2 LEU 45 - HD3 ARG 53 lone 5 96 - 5 - HD2 LYS 109 - HD3 ARG 53 lone 2 81 - 2 - HD3 LYS 109 - HD3 ARG 53 lone 2 73 - 2 - Peak 3172 from cnoeabs.peaks (2.02, 3.10, 43.53 ppm; 3.90 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ARG 53 + HD3 ARG 53 OK 100 100 - 100 - 3.6=100 HB2 LEU 55 - HD3 ARG 53 OK 26 78 - 33 - 3164/1.8=4, 3.1/6971=4...(15) HB2 GLU 56 - HD3 ARG 53 OK 22 85 - 26 - 3132/3.6=4, 3164/1.8=3...(10) HG3 PRO 60 - HD3 ARG 53 OK 13 71 - 18 - 3164/1.8=2, 3132/3.6=2...(7) HB2 LYS 46 - HD3 ARG 53 OK 11 71 - 16 - 1.8/3171=2, 3164/1.8=2...(8) HG3 PRO 37 - HD3 ARG 53 OK 11 60 - 19 - 1.8/6973=4, 2.3/6973=2...(9) HG2 PRO 60 - HD3 ARG 53 poor 10 57 - 17 - 3132/3.6=2, 3164/1.8=2...(8) HG3 PRO 70 - HD3 ARG 53 poor 10 83 - 12 - 3164/1.8=2, 3156/3.0=1...(5) HB2 GLU 94 - HD3 ARG 53 lone 7 71 - 9 - 4.0/3169=2, 3132/3.6=1 Peak 3173 from cnoeabs.peaks (1.61, 3.10, 43.53 ppm; 3.49 A): 2 out of 17 assignments used, quality = 1.00: * HG2 ARG 53 + HD3 ARG 53 OK 100 100 - 100 - 3.0=100 HG12 ILE 63 + HD3 ARG 53 OK 46 99 - 47 - 1.8/3174=6, 3165/1.8=4...(21) HB3 LEU 126 - HD3 ARG 53 OK 25 99 - 25 - 3.1/6971=3, 3165/1.8=2...(9) HB2 LEU 126 - HD3 ARG 53 OK 25 99 - 25 - 3.1/6971=3, 3165/1.8=2...(9) HG LEU 101 - HD3 ARG 53 OK 22 98 - 23 - 3152=3, 3151/1.8=3...(8) HG LEU 126 - HD3 ARG 53 OK 19 92 - 20 - 2.1/6971=4, ~6968=2...(8) HG LEU 51 - HD3 ARG 53 OK 14 73 - 19 - 2.1/6972=4, ~6969=3...(7) HD2 LYS 31 - HD3 ARG 53 OK 14 97 - 14 - 3165/1.8=1, 3133/3.6=1...(4) HD3 LYS 31 - HD3 ARG 53 OK 14 97 - 14 - 3165/1.8=1, 3133/3.6=1...(4) HG2 PRO 30 - HD3 ARG 53 lone 9 100 - 9 - HB2 LEU 59 - HD3 ARG 53 lone 7 93 - 8 - 3.2/6971=1 HD3 LYS 32 - HD3 ARG 53 lone 4 100 - 4 - HD2 LYS 32 - HD3 ARG 53 lone 4 100 - 4 - HD3 LYS 119 - HD3 ARG 53 lone 3 95 - 4 - HD2 LYS 119 - HD3 ARG 53 lone 3 93 - 4 - HB3 GLN 42 - HD3 ARG 53 lone 3 68 - 5 - HB3 LYS 32 - HD3 ARG 53 lone 2 60 - 3 - Peak 3174 from cnoeabs.peaks (1.83, 3.10, 43.53 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 53 + HD3 ARG 53 OK 100 100 - 100 - 3.0=100 HG13 ILE 63 + HD3 ARG 53 OK 48 99 - 48 - 1.8/3173=5, 3150/3.0=5...(21) HG LEU 41 - HD3 ARG 53 OK 38 100 - 38 - 2.1/6971=5, 6765/2.9=5...(16) HB3 ARG 92 - HD3 ARG 53 OK 31 81 - 39 - 3160=5, 3.0/8429=3...(20) HB3 ARG 57 - HD3 ARG 53 OK 17 92 - 18 - 3166/1.8=2, 3134/3.6=1...(4) HG2 GLU 73 - HD3 ARG 53 OK 14 97 - 15 - 2.9/6973=2, 3166/1.8=1...(4) HG3 GLU 73 - HD3 ARG 53 OK 14 96 - 15 - 2.9/6973=2, 4.1/6082=1...(4) HB2 PRO 60 - HD3 ARG 53 OK 11 73 - 15 - 2.3/3172=2, 3134/3.6=1...(5) HG12 ILE 22 - HD3 ARG 53 lone 5 83 - 7 - 3.9/8429=1 HB2 GLU 69 - HD3 ARG 53 lone 4 99 - 4 - HB3 GLN 105 - HD3 ARG 53 lone 4 98 - 4 - HG2 GLU 75 - HD3 ARG 53 lone 4 93 - 4 - Peak 3175 from cnoeabs.peaks (3.18, 3.10, 43.53 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HD2 ARG 53 + HD3 ARG 53 OK 100 100 - 100 - 1.8=100 HD3 ARG 71 - HD3 ARG 53 OK 13 97 - 13 - 3151/3.0=1, 3.0/3171=1...(6) HB2 HIS 10 - HD3 ARG 53 OK 12 73 - 16 - 1828=4, 3.0/1824=2...(4) HD3 ARG 92 - HD3 ARG 53 poor 7 65 - 10 - 3.5/3160=1 HD2 ARG 92 - HD3 ARG 53 lone 6 63 - 10 - 3.5/3160=1 HD2 ARG 81 - HD3 ARG 53 lone 4 71 - 6 - 3168=1 Peak 3176 from cnoeabs.peaks (3.10, 3.10, 43.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 53 + HD3 ARG 53 OK 100 100 - 100 Peak 3177 from cnoeabs.peaks (8.94, 3.75, 57.78 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 54 + HA LEU 54 OK 100 100 - 100 - 3.0=100 H PHE 107 - HA LEU 54 OK 34 96 - 36 - 3191/3.0=7, 3184/3.0=7...(9) Peak 3178 from cnoeabs.peaks (3.75, 3.75, 57.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 54 + HA LEU 54 OK 100 100 - 100 Peak 3179 from cnoeabs.peaks (2.33, 3.75, 57.78 ppm; 4.15 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 54 + HA LEU 54 OK 100 100 - 100 - 3.0=100 HB3 PRO 60 + HA LEU 54 OK 51 97 - 53 - 3193/3.0=7, 1019/3.0=6...(20) HG3 GLU 56 - HA LEU 54 OK 33 92 - 36 - 4.9/6071=10, 1019/3.0=5...(14) HB3 ASN 118 - HA LEU 54 OK 21 78 - 27 - 3193/3.0=3, 4.6/6072=3...(13) HB2 GLU 82 - HA LEU 54 OK 15 98 - 15 - 3193/3.0=2, 3200/3.7=2...(7) HB3 GLU 82 - HA LEU 54 OK 15 98 - 15 - 3193/3.0=2, 3200/3.7=2...(7) HG2 PRO 70 - HA LEU 54 OK 13 87 - 14 - 245/3.6=3, 3193/3.0=2...(5) HG2 GLN 16 - HA LEU 54 lone 5 68 - 7 - HB VAL 18 - HA LEU 54 lone 3 65 - 5 - Peak 3180 from cnoeabs.peaks (1.15, 3.75, 57.78 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 54 + HA LEU 54 OK 100 100 - 100 - 3.0=100 QD2 LEU 117 - HA LEU 54 OK 39 81 - 48 - 8013/4.0=12, 3187/3.0=7...(14) QG2 VAL 50 - HA LEU 54 OK 38 81 - 47 - ~8237=8, 1020/3.0=7...(13) Peak 3181 from cnoeabs.peaks (1.28, 3.75, 57.78 ppm; 4.27 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 54 + HA LEU 54 OK 100 100 - 100 - 3.7=100 QD1 ILE 80 - HA LEU 54 OK 38 93 - 41 - 7420/4.0=9, 3195/3.0=6...(10) QG2 ILE 80 - HA LEU 54 OK 36 92 - 39 - 3195/3.0=6, 3188/3.0=6...(12) QG2 THR 116 - HA LEU 54 OK 16 95 - 17 - 247/3.6=3, 1021/3.0=3...(5) HG3 LYS 32 - HA LEU 54 poor 10 78 - 12 - 5.0/5621=2, 1021/3.0=2...(6) QG2 THR 19 - HA LEU 54 lone 4 71 - 6 - 247/3.6=1 HB3 LEU 84 - HA LEU 54 lone 3 60 - 5 - Peak 3182 from cnoeabs.peaks (0.21, 3.75, 57.78 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.87: * QD1 LEU 54 + HA LEU 54 OK 79 100 - 79 - 4.0=55, 3205/3.0=13...(13) QD2 LEU 21 + HA LEU 54 OK 37 85 - 44 - 3196/3.0=7, 3189/3.0=7...(11) Peak 3183 from cnoeabs.peaks (0.71, 3.75, 57.78 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 54 + HA LEU 54 OK 100 100 - 100 - 4.0=100 QG1 VAL 66 - HA LEU 54 OK 32 97 - 34 - 7200/3.6=7, 1023/3.0=6...(9) QD1 LEU 114 - HA LEU 54 OK 31 89 - 35 - 3197/3.0=5, 3190/3.0=5...(9) HG3 GLU 75 - HA LEU 54 OK 29 100 - 29 - 3197/3.0=5, 3190/3.0=4...(10) QD1 LEU 77 - HA LEU 54 OK 22 87 - 25 - 249/3.6=4, 3197/3.0=4...(8) QD2 LEU 111 - HA LEU 54 lone 6 68 - 8 - 2.1/7900=1 Peak 3184 from cnoeabs.peaks (8.94, 2.33, 42.10 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 54 + HB2 LEU 54 OK 100 100 - 100 - 4.0=100 H PHE 107 - HB2 LEU 54 OK 38 96 - 40 - 3191/1.8=11, 3177/3.0=8...(6) Peak 3185 from cnoeabs.peaks (3.75, 2.33, 42.10 ppm; 4.57 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 54 + HB2 LEU 54 OK 100 100 - 100 - 3.0=100 HA GLU 38 - HB2 LEU 54 OK 39 97 - 40 - 3192/1.8=7, 3206/3.1=6...(14) HA GLU 73 - HB2 LEU 54 OK 32 100 - 32 - 3192/1.8=6, 3206/3.1=5...(12) HA CYS 87 - HB2 LEU 54 OK 16 97 - 16 - 244/4.6=3, 3192/1.8=3...(6) HD2 PRO 30 - HB2 LEU 54 OK 15 85 - 18 - 3192/1.8=3, 3206/3.1=2...(6) HB3 SER 13 - HB2 LEU 54 lone 9 89 - 10 - 3192/1.8=2, 1018/4.0=1...(4) HA3 GLY 86 - HB2 LEU 54 poor 8 68 - 12 - ~6991=2, 1018/4.0=2...(6) HB3 SER 90 - HB2 LEU 54 lone 8 93 - 9 - 3206/3.1=1, 3192/1.8=1 HB3 SER 35 - HB2 LEU 54 lone 6 97 - 6 - HB2 SER 72 - HB2 LEU 54 lone 2 60 - 3 - Peak 3186 from cnoeabs.peaks (2.33, 2.33, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 54 + HB2 LEU 54 OK 100 100 - 100 Peak 3187 from cnoeabs.peaks (1.15, 2.33, 42.10 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 54 + HB2 LEU 54 OK 100 100 - 100 - 1.8=100 QD2 LEU 117 - HB2 LEU 54 OK 45 81 - 56 - 8013/3.1=15, 8012/3.1=9...(16) QG2 VAL 50 - HB2 LEU 54 OK 37 81 - 45 - 8281/3.1=7, 3180/3.0=6...(13) Peak 3188 from cnoeabs.peaks (1.28, 2.33, 42.10 ppm; 4.33 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 54 + HB2 LEU 54 OK 100 100 - 100 - 3.0=100 QD1 ILE 80 + HB2 LEU 54 OK 49 93 - 52 - 7420/3.1=11, 3195/1.8=8...(20) QG2 ILE 80 + HB2 LEU 54 OK 49 92 - 53 - 3195/1.8=8, 3209/3.1=7...(23) QG2 THR 116 - HB2 LEU 54 OK 17 95 - 18 - 3195/1.8=3, 3181/3.0=2...(7) HG3 LYS 32 - HB2 LEU 54 OK 11 78 - 14 - 5.0/5622=2, 3195/1.8=2...(6) HB3 LEU 84 - HB2 LEU 54 lone 5 60 - 9 - QG2 THR 19 - HB2 LEU 54 lone 5 71 - 7 - 247/4.6=1 Peak 3189 from cnoeabs.peaks (0.21, 2.33, 42.10 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 54 + HB2 LEU 54 OK 100 100 - 100 - 3.1=100 QD2 LEU 21 + HB2 LEU 54 OK 57 85 - 67 - 3196/1.8=15, 3182/3.0=12...(18) Peak 3190 from cnoeabs.peaks (0.71, 2.33, 42.10 ppm; 4.02 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 54 + HB2 LEU 54 OK 100 100 - 100 - 3.1=100 QD1 LEU 114 - HB2 LEU 54 OK 38 89 - 43 - 3197/1.8=6, 3217/3.1=6...(18) QG1 VAL 66 - HB2 LEU 54 OK 33 97 - 34 - 2.1/8436=5, 3197/1.8=5...(10) HG3 GLU 75 - HB2 LEU 54 OK 32 100 - 32 - 3197/1.8=5, 3204/3.0=4...(14) QD1 LEU 77 - HB2 LEU 54 OK 26 87 - 30 - 3197/1.8=4, 3211/3.1=4...(11) QD2 LEU 111 - HB2 LEU 54 lone 5 68 - 7 - Peak 3191 from cnoeabs.peaks (8.94, 1.15, 42.10 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 54 + HB3 LEU 54 OK 100 100 - 100 - 4.0=100 H PHE 107 - HB3 LEU 54 OK 39 96 - 41 - 3184/1.8=11, 3177/3.0=8...(8) Peak 3192 from cnoeabs.peaks (3.75, 1.15, 42.10 ppm; 4.32 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 54 + HB3 LEU 54 OK 100 100 - 100 - 3.0=100 HA GLU 38 - HB3 LEU 54 OK 35 97 - 36 - 3185/1.8=6, 3206/3.1=6...(12) HA GLU 73 - HB3 LEU 54 OK 30 100 - 30 - 3185/1.8=5, 3206/3.1=5...(12) HA CYS 87 - HB3 LEU 54 OK 14 97 - 15 - 244/4.6=2, 3185/1.8=2...(6) HD2 PRO 30 - HB3 LEU 54 OK 14 85 - 16 - 3185/1.8=2, 3206/3.1=2...(6) HB3 SER 13 - HB3 LEU 54 lone 8 89 - 9 - 3185/1.8=1, 1018/4.0=1...(4) HA3 GLY 86 - HB3 LEU 54 poor 8 68 - 11 - 1018/4.0=1, ~6991=1...(6) HB3 SER 90 - HB3 LEU 54 lone 7 93 - 8 - 3206/3.1=1, 3185/1.8=1 HB3 SER 35 - HB3 LEU 54 lone 5 97 - 5 - HB2 SER 72 - HB3 LEU 54 lone 1 60 - 2 - Peak 3193 from cnoeabs.peaks (2.33, 1.15, 42.10 ppm; 3.88 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 54 + HB3 LEU 54 OK 100 100 - 100 - 1.8=100 HB3 PRO 60 + HB3 LEU 54 OK 50 97 - 52 - 3.0/6055=6, 3179/3.0=5...(22) HG3 GLU 56 - HB3 LEU 54 OK 22 92 - 24 - 3179/3.0=3, 1019/4.0=3...(12) HB3 ASN 118 - HB3 LEU 54 OK 21 78 - 27 - 3.0/6055=4, ~6053=3...(12) HB2 GLU 82 - HB3 LEU 54 OK 16 98 - 16 - 3200/3.0=2, 3207/3.1=2...(8) HB3 GLU 82 - HB3 LEU 54 OK 16 98 - 16 - 3200/3.0=2, 3207/3.1=2...(8) HG2 PRO 70 - HB3 LEU 54 OK 12 87 - 14 - 245/4.6=2, 3207/3.1=1...(5) HB VAL 18 - HB3 LEU 54 lone 4 65 - 7 - ~6986=1 HG2 GLN 16 - HB3 LEU 54 lone 4 68 - 5 - Peak 3194 from cnoeabs.peaks (1.15, 1.15, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 54 + HB3 LEU 54 OK 100 100 - 100 Peak 3195 from cnoeabs.peaks (1.28, 1.15, 42.10 ppm; 4.27 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 54 + HB3 LEU 54 OK 100 100 - 100 - 3.0=100 QD1 ILE 80 + HB3 LEU 54 OK 48 93 - 52 - 7420/3.1=10, 3188/1.8=8...(20) QG2 ILE 80 + HB3 LEU 54 OK 48 92 - 52 - 3188/1.8=8, 3209/3.1=7...(21) QG2 THR 116 - HB3 LEU 54 OK 18 95 - 19 - 3188/1.8=3, 3209/3.1=2...(9) HG3 LYS 32 - HB3 LEU 54 OK 11 78 - 14 - 5.0/5623=2, 3188/1.8=2...(6) HB3 LEU 84 - HB3 LEU 54 lone 5 60 - 9 - QG2 THR 19 - HB3 LEU 54 lone 4 71 - 6 - 247/4.6=1 Peak 3196 from cnoeabs.peaks (0.21, 1.15, 42.10 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 54 + HB3 LEU 54 OK 100 100 - 100 - 3.1=100 QD2 LEU 21 + HB3 LEU 54 OK 59 85 - 70 - 3189/1.8=14, 3182/3.0=12...(20) Peak 3197 from cnoeabs.peaks (0.71, 1.15, 42.10 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 54 + HB3 LEU 54 OK 100 100 - 100 - 3.1=100 QD1 LEU 114 - HB3 LEU 54 OK 40 89 - 46 - 3190/1.8=6, 3215=6...(20) QG1 VAL 66 - HB3 LEU 54 OK 33 97 - 35 - 3190/1.8=5, 7200/4.6=5...(10) HG3 GLU 75 - HB3 LEU 54 OK 33 100 - 33 - 3190/1.8=5, 3204/3.0=4...(14) QD1 LEU 77 - HB3 LEU 54 OK 26 87 - 30 - 3190/1.8=4, 3211/3.1=4...(11) QD2 LEU 111 - HB3 LEU 54 lone 5 68 - 7 - Peak 3198 from cnoeabs.peaks (8.94, 1.28, 26.77 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 54 + HG LEU 54 OK 97 100 - 97 - 5.2=85, 3205/2.1=31...(9) H PHE 107 - HG LEU 54 OK 44 96 - 46 - 3205/2.1=13, 3191/3.0=11...(6) Peak 3199 from cnoeabs.peaks (3.75, 1.28, 26.77 ppm; 5.09 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 54 + HG LEU 54 OK 100 100 - 100 - 3.7=100 HA GLU 38 - HG LEU 54 OK 37 97 - 38 - 3206/2.1=7, 3192/3.0=6...(11) HA GLU 73 - HG LEU 54 OK 32 100 - 32 - 3206/2.1=6, 3192/3.0=5...(8) HA CYS 87 - HG LEU 54 OK 15 97 - 16 - 3185/3.0=3, 3206/2.1=3...(5) HD2 PRO 30 - HG LEU 54 OK 14 85 - 16 - 3192/3.0=3, 3185/3.0=2...(6) HA3 GLY 86 - HG LEU 54 poor 8 68 - 11 - ~6991=2, 1018/5.2=1...(5) HB3 SER 90 - HG LEU 54 lone 7 93 - 8 - 3206/2.1=2, 3185/3.0=1 HB3 SER 13 - HG LEU 54 lone 7 89 - 8 - 3206/2.1=2, 3192/3.0=1...(4) HB3 SER 35 - HG LEU 54 lone 6 97 - 6 - HB2 SER 72 - HG LEU 54 lone 2 60 - 3 - Peak 3200 from cnoeabs.peaks (2.33, 1.28, 26.77 ppm; 4.52 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 54 + HG LEU 54 OK 100 100 - 100 - 3.0=100 HB3 PRO 60 + HG LEU 54 OK 54 97 - 56 - 3207/2.1=8, 3193/3.0=8...(21) HB3 ASN 118 - HG LEU 54 OK 23 78 - 29 - ~6997=5, 3207/2.1=4...(11) HG3 GLU 56 - HG LEU 54 OK 22 92 - 24 - 3179/3.7=4, 3207/2.1=4...(10) HB2 GLU 82 - HG LEU 54 OK 19 98 - 19 - 3207/2.1=3, 3193/3.0=2...(9) HB3 GLU 82 - HG LEU 54 OK 19 98 - 19 - 3207/2.1=3, 3193/3.0=2...(9) HG2 PRO 70 - HG LEU 54 OK 13 87 - 15 - 3207/2.1=2, 3193/3.0=2...(7) HB VAL 18 - HG LEU 54 lone 6 65 - 10 - ~6986=2, ~6364=1, 3207/2.1=1 HG2 GLN 16 - HG LEU 54 lone 4 68 - 5 - Peak 3201 from cnoeabs.peaks (1.15, 1.28, 26.77 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 54 + HG LEU 54 OK 100 100 - 100 - 3.0=100 QD2 LEU 117 + HG LEU 54 OK 49 81 - 61 - 8013/2.1=21, 8012/2.1=12...(18) QG2 VAL 50 - HG LEU 54 OK 38 81 - 47 - 8281/2.1=9, ~6511=9...(12) Peak 3202 from cnoeabs.peaks (1.28, 1.28, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 54 + HG LEU 54 OK 100 100 - 100 Peak 3203 from cnoeabs.peaks (0.21, 1.28, 26.77 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 54 + HG LEU 54 OK 100 100 - 100 - 2.1=100 QD2 LEU 21 + HG LEU 54 OK 52 85 - 61 - 3196/3.0=9, 3189/3.0=9...(18) Peak 3204 from cnoeabs.peaks (0.71, 1.28, 26.77 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 54 + HG LEU 54 OK 100 100 - 100 - 2.1=100 QD1 LEU 114 - HG LEU 54 OK 34 89 - 38 - 3217/2.1=6, 3216=5...(16) HG3 GLU 75 - HG LEU 54 OK 25 100 - 25 - 3211/2.1=4, 3197/3.0=3...(11) QG1 VAL 66 - HG LEU 54 OK 24 97 - 25 - 3211/2.1=4, 3197/3.0=3...(9) QD1 LEU 77 - HG LEU 54 OK 22 87 - 25 - 3211/2.1=4, 3197/3.0=3...(12) QD2 LEU 111 - HG LEU 54 lone 3 68 - 5 - Peak 3205 from cnoeabs.peaks (8.94, 0.21, 22.86 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.96: * H LEU 54 + QD1 LEU 54 OK 94 100 - 94 - 4.8=68, 3.0/3182=26...(16) H PHE 107 + QD1 LEU 54 OK 40 96 - 42 - 3198/2.1=9, 3191/3.1=9...(11) Peak 3206 from cnoeabs.peaks (3.75, 0.21, 22.86 ppm; 3.18 A): 3 out of 10 assignments used, quality = 0.84: * HA LEU 54 + QD1 LEU 54 OK 76 100 - 76 - 4.0=50, 3.0/3205=12...(13) HA GLU 38 + QD1 LEU 54 OK 20 97 - 21 - 3192/3.1=2, 3185/3.1=2...(8) HA GLU 73 + QD1 LEU 54 OK 17 100 - 18 - 3192/3.1=2, 3185/3.1=2...(7) HA CYS 87 - QD1 LEU 54 lone 7 97 - 8 - 3192/3.1=1 HD2 PRO 30 - QD1 LEU 54 lone 7 85 - 8 - HB3 SER 90 - QD1 LEU 54 lone 5 93 - 5 - HB3 SER 13 - QD1 LEU 54 lone 4 89 - 5 - HA3 GLY 86 - QD1 LEU 54 lone 4 68 - 6 - 1.8/6991=1 HB3 SER 35 - QD1 LEU 54 lone 3 97 - 3 - HB2 SER 72 - QD1 LEU 54 lone 1 60 - 1 - Peak 3207 from cnoeabs.peaks (2.33, 0.21, 22.86 ppm; 3.94 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 54 + QD1 LEU 54 OK 100 100 - 100 - 3.1=100 HB3 PRO 60 + QD1 LEU 54 OK 48 97 - 50 - 3193/3.1=6, 3200/2.1=6...(21) HB3 ASN 118 - QD1 LEU 54 OK 25 78 - 32 - 3.0/6997=6, 4.0/6975=5...(14) HG3 GLU 56 - QD1 LEU 54 OK 21 92 - 23 - 3179/4.0=3, 1019/4.8=3...(9) HB2 GLU 82 - QD1 LEU 54 OK 15 98 - 15 - 3200/2.1=2, 3193/3.1=2...(7) HB3 GLU 82 - QD1 LEU 54 OK 15 98 - 15 - 3200/2.1=2, 3193/3.1=2...(7) HG2 PRO 70 - QD1 LEU 54 OK 12 87 - 14 - 3200/2.1=1, 3193/3.1=1...(5) HB VAL 18 - QD1 LEU 54 lone 6 65 - 10 - 2.1/6986=3 HG2 GLN 16 - QD1 LEU 54 lone 4 68 - 6 - Peak 3208 from cnoeabs.peaks (1.15, 0.21, 22.86 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 54 + QD1 LEU 54 OK 100 100 - 100 - 3.1=100 QD2 LEU 117 + QD1 LEU 54 OK 47 81 - 58 - 8013=18, 8012/2.1=10...(18) QG2 VAL 50 - QD1 LEU 54 OK 39 81 - 48 - 2.1/6511=11, 3.2/6991=7...(14) Peak 3209 from cnoeabs.peaks (1.28, 0.21, 22.86 ppm; 3.23 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 54 + QD1 LEU 54 OK 100 100 - 100 - 2.1=100 QD1 ILE 80 - QD1 LEU 54 OK 36 93 - 38 - 7420/2.1=7, 2.1/6985=5...(13) QG2 ILE 80 - QD1 LEU 54 OK 34 92 - 37 - 3.2/6985=4, ~7420=3...(16) QG2 THR 116 - QD1 LEU 54 OK 12 95 - 13 - 7986/3.1=1, 3188/3.1=1...(4) HG3 LYS 32 - QD1 LEU 54 lone 7 78 - 9 - 5.0/5625=1 QG2 THR 19 - QD1 LEU 54 lone 3 71 - 5 - HB3 LEU 84 - QD1 LEU 54 lone 3 60 - 5 - Peak 3210 from cnoeabs.peaks (0.21, 0.21, 22.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 54 + QD1 LEU 54 OK 100 100 - 100 Peak 3211 from cnoeabs.peaks (0.71, 0.21, 22.86 ppm; 2.88 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 54 + QD1 LEU 54 OK 100 100 - 100 - 2.1=100 QD1 LEU 114 - QD1 LEU 54 OK 28 89 - 31 - 3217=7, 3204/2.1=3...(13) HG3 GLU 75 - QD1 LEU 54 OK 19 100 - 19 - 3204/2.1=3, 3197/3.1=2...(10) QG1 VAL 66 - QD1 LEU 54 OK 18 97 - 19 - 3204/2.1=2, 3197/3.1=2...(8) QD1 LEU 77 - QD1 LEU 54 OK 18 87 - 20 - 3217=3, 3204/2.1=2...(7) QD2 LEU 111 - QD1 LEU 54 lone 3 68 - 5 - Peak 3212 from cnoeabs.peaks (8.94, 0.71, 26.03 ppm; 4.34 A): 2 out of 6 assignments used, quality = 0.97: * H LEU 54 + QD2 LEU 54 OK 95 100 - 95 - 4.8=76, 3205/2.1=27...(10) H PHE 107 + QD2 LEU 54 OK 40 96 - 42 - 3205/2.1=12, 3198/2.1=9...(8) H LEU 54 - QD1 LEU 114 OK 29 89 - 32 - 1023=6, 4.0/3197=5...(9) H LEU 54 - QD1 LEU 77 OK 14 57 - 24 - 1023=5, 4.6/249=3...(8) H PHE 107 - QD1 LEU 114 lone 5 81 - 7 - 4.5/8433=1 H PHE 107 - QD1 LEU 77 lone 3 50 - 5 - 4.5/8433=1 Peak 3213 from cnoeabs.peaks (3.75, 0.71, 26.03 ppm; 4.08 A): 1 out of 30 assignments used, quality = 1.00: * HA LEU 54 + QD2 LEU 54 OK 100 100 - 100 - 4.0=100 HA LEU 54 - QD1 LEU 114 OK 31 89 - 35 - 3183=6, 3.0/3197=5...(8) HA GLU 38 - QD2 LEU 54 OK 30 97 - 31 - 3206/2.1=6, 3192/3.1=4...(9) HA GLU 73 - QD2 LEU 54 OK 29 100 - 30 - 3206/2.1=5, 3.0/7439=4...(9) HA GLU 73 - QD1 LEU 77 OK 22 56 - 39 - 3.6/7297=9, 6084/4.7=8...(10) HA CYS 87 - QD1 LEU 114 OK 15 83 - 18 - 7533/2.1=4, 6164/4.4=3...(7) HA LEU 54 - QD1 LEU 77 OK 15 57 - 26 - 3183=5, 3.6/249=4...(8) HA CYS 87 - QD2 LEU 54 OK 11 97 - 12 - 3206/2.1=2, 3192/3.1=2...(5) HD2 PRO 30 - QD2 LEU 54 OK 11 85 - 13 - 3206/2.1=2, 3192/3.1=2...(5) HA GLU 38 - QD1 LEU 114 OK 10 82 - 12 - 6005/2.1=2 HA GLU 38 - QD1 LEU 77 poor 8 51 - 16 - 1653/4.7=3, ~4011=2...(4) HB3 SER 90 - QD1 LEU 114 lone 7 78 - 9 - 7579/2.1=2, 1714/4.4=1, ~7575=1 HA GLU 73 - QD1 LEU 114 lone 7 88 - 8 - 3.6/7297=1 HA3 GLY 86 - QD1 LEU 114 poor 6 54 - 12 - ~7511=2, 7515/2.1=2...(5) HB3 SER 90 - QD2 LEU 54 lone 6 93 - 6 - 3206/2.1=2 HB3 SER 13 - QD2 LEU 54 lone 6 89 - 6 - 3206/2.1=1 HA3 GLY 86 - QD2 LEU 54 lone 5 68 - 8 - ~6991=2, 3206/2.1=1, 1018/4.8=1 HB3 SER 35 - QD2 LEU 54 lone 4 97 - 4 - HD2 PRO 30 - QD1 LEU 114 lone 3 70 - 4 - HB3 SER 35 - QD1 LEU 77 lone 2 51 - 5 - 1653/4.7=1 HD2 PRO 30 - QD1 LEU 77 lone 2 42 - 5 - 1653/4.7=2 HB2 SER 72 - QD2 LEU 54 lone 2 60 - 3 - 3.9/7285=1 HA CYS 87 - QD1 LEU 77 lone 2 52 - 3 - HB3 SER 13 - QD1 LEU 114 lone 2 73 - 2 - HB3 SER 13 - QD1 LEU 77 lone 2 44 - 3 - 1653/4.7=1 HB2 SER 72 - QD1 LEU 114 lone 1 47 - 3 - 3.9/7285=1 HB3 SER 35 - QD1 LEU 114 lone 1 82 - 2 - HB2 SER 72 - QD1 LEU 77 lone 1 27 - 4 - 7282/7297=1, 3.9/7285=1 HB3 SER 90 - QD1 LEU 77 lone 1 48 - 2 - HA3 GLY 86 - QD1 LEU 77 lone 1 32 - 2 - Peak 3214 from cnoeabs.peaks (2.33, 0.71, 26.03 ppm; 3.89 A): 1 out of 27 assignments used, quality = 1.00: * HB2 LEU 54 + QD2 LEU 54 OK 100 100 - 100 - 3.1=100 HB3 PRO 60 - QD2 LEU 54 OK 44 97 - 46 - 3207/2.1=7, 3193/3.1=6...(18) HB2 LEU 54 - QD1 LEU 114 OK 38 89 - 43 - 3190=7, 1.8/3197=6...(18) HB3 ASN 118 - QD2 LEU 54 OK 18 78 - 23 - ~6997=4, 3207/2.1=3...(11) HG3 GLU 56 - QD2 LEU 54 OK 18 92 - 20 - 3207/2.1=3, 3179/4.0=3...(8) HG2 PRO 70 - QD1 LEU 114 OK 18 71 - 25 - ~7958=3, ~7945=2...(14) HB2 LEU 54 - QD1 LEU 77 OK 17 57 - 30 - 3190=5, 1.8/3197=4...(11) HB2 GLU 82 - QD2 LEU 54 OK 15 98 - 15 - 3207/2.1=2, 3200/2.1=2...(7) HB3 GLU 82 - QD2 LEU 54 OK 15 98 - 15 - 3207/2.1=2, 3200/2.1=2...(7) HG2 PRO 70 - QD2 LEU 54 OK 11 87 - 13 - 3207/2.1=2, 3200/2.1=1...(5) HB3 PRO 60 - QD1 LEU 114 lone 7 82 - 9 - ~7089=1 HG2 GLN 16 - QD1 LEU 114 poor 7 54 - 13 - ~6326=4, ~5086=1 HB VAL 18 - QD1 LEU 77 poor 5 30 - 18 - ~4020=3, ~4013=3...(9) HB VAL 18 - QD2 LEU 54 lone 5 65 - 7 - ~6986=2, ~6364=1 HG2 GLN 16 - QD2 LEU 54 lone 3 68 - 4 - HG3 GLU 56 - QD1 LEU 114 lone 3 77 - 3 - HB3 PRO 60 - QD1 LEU 77 lone 2 51 - 4 - HB3 GLU 82 - QD1 LEU 114 lone 2 84 - 2 - HB2 GLU 82 - QD1 LEU 114 lone 2 84 - 2 - HB3 ASN 118 - QD1 LEU 114 lone 2 63 - 2 - HB3 GLU 82 - QD1 LEU 77 lone 1 53 - 3 - ~7352=1 HB2 GLU 82 - QD1 LEU 77 lone 1 53 - 3 - ~7352=1 HG2 PRO 70 - QD1 LEU 77 lone 1 43 - 3 - HB VAL 18 - QD1 LEU 114 lone 1 52 - 2 - HG3 GLU 56 - QD1 LEU 77 lone 1 47 - 2 - HB3 ASN 118 - QD1 LEU 77 lone 1 38 - 2 - HG2 GLN 16 - QD1 LEU 77 lone 0 32 - 1 - Peak 3215 from cnoeabs.peaks (1.15, 0.71, 26.03 ppm; 3.20 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 54 + QD2 LEU 54 OK 100 100 - 100 - 3.1=100 QD2 LEU 117 - QD2 LEU 54 OK 39 81 - 49 - 8013/2.1=13, 8012=13...(15) HB3 LEU 54 - QD1 LEU 114 OK 27 89 - 31 - 3197=4, 3.1/3217=4...(12) QG2 VAL 50 - QD2 LEU 54 OK 26 81 - 33 - 3208/2.1=6, ~6511=5...(13) QD2 LEU 117 - QD1 LEU 114 OK 23 65 - 35 - 8012=10, 8015/4.0=6...(10) HB3 LEU 54 - QD1 LEU 77 OK 11 57 - 20 - 3197=3, 1.8/3190=3...(9) QG2 VAL 50 - QD1 LEU 77 poor 7 39 - 17 - 3065/2.1=3, ~4016=3...(8) QG2 VAL 50 - QD1 LEU 114 lone 3 65 - 4 - QD2 LEU 117 - QD1 LEU 77 lone 2 39 - 5 - 8012=1 Peak 3216 from cnoeabs.peaks (1.28, 0.71, 26.03 ppm; 3.29 A): 1 out of 21 assignments used, quality = 1.00: * HG LEU 54 + QD2 LEU 54 OK 100 100 - 100 - 2.1=100 QD1 ILE 80 - QD2 LEU 54 OK 36 93 - 38 - 7420=7, 3209/2.1=6...(15) QG2 ILE 80 - QD2 LEU 54 OK 34 92 - 37 - 3209/2.1=6, 3.2/7420=6...(14) HG LEU 54 - QD1 LEU 114 OK 30 89 - 34 - 3204=6, 2.1/3217=6...(15) QD1 ILE 80 - QD1 LEU 77 OK 19 48 - 40 - 7419/2.1=14, 7420=9...(10) QG2 ILE 80 - QD1 LEU 114 OK 19 77 - 24 - 4081/2.1=3, 8514/3.1=2...(7) QD1 ILE 80 - QD1 LEU 114 OK 17 78 - 22 - 4102/2.1=4, 8343/3.1=2...(10) QG2 ILE 80 - QD1 LEU 77 OK 14 47 - 30 - 3.2/7420=7, ~7424=7...(8) HG LEU 54 - QD1 LEU 77 OK 13 57 - 23 - 3204=4, 2.1/3211=4...(8) QG2 THR 116 - QD2 LEU 54 poor 10 95 - 10 - 3209/2.1=2, 7986/3.1=1...(5) HB3 LEU 84 - QD1 LEU 114 poor 9 47 - 18 - ~7946=3, ~7232=3...(4) HG3 LYS 32 - QD1 LEU 77 poor 8 38 - 22 - 2529/2.1=3, ~4013=2...(11) HG3 LYS 32 - QD2 LEU 54 lone 6 78 - 8 - 3209/2.1=1 QG2 THR 116 - QD1 LEU 114 lone 4 80 - 5 - 7988/2.1=1 HB3 LEU 84 - QD2 LEU 54 lone 3 60 - 5 - QG2 THR 19 - QD2 LEU 54 lone 3 71 - 3 - QG2 THR 116 - QD1 LEU 77 lone 2 49 - 4 - QG2 THR 19 - QD1 LEU 77 lone 2 33 - 6 - HG3 LYS 32 - QD1 LEU 114 lone 1 63 - 2 - QG2 THR 19 - QD1 LEU 114 lone 1 57 - 1 - HB3 LEU 84 - QD1 LEU 77 lone 1 27 - 2 - Peak 3217 from cnoeabs.peaks (0.21, 0.71, 26.03 ppm; 2.84 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 54 + QD2 LEU 54 OK 100 100 - 100 - 2.1=100 QD2 LEU 21 - QD2 LEU 54 OK 33 85 - 39 - 3203/2.1=7, 3196/3.1=5...(13) QD1 LEU 54 - QD1 LEU 114 OK 27 89 - 30 - 3211=7, 2.1/3204=3...(13) QD1 LEU 54 - QD1 LEU 77 OK 12 57 - 20 - 3211=5, 2.1/3204=2...(7) QD2 LEU 21 - QD1 LEU 114 poor 8 70 - 12 - 6411/2.1=2, 2137/3.1=1 QD2 LEU 21 - QD1 LEU 77 lone 1 42 - 3 - Peak 3218 from cnoeabs.peaks (0.71, 0.71, 26.03 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 54 + QD2 LEU 54 OK 100 100 - 100 QD1 LEU 114 + QD1 LEU 114 OK 73 73 - 100 QD1 LEU 77 - QD1 LEU 77 OK 43 43 - 100 Peak 3219 from cnoeabs.peaks (8.12, 4.06, 57.73 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 HD22 ASN 79 - HA LEU 55 OK 26 93 - 28 - 250/3.6=5, 3226/3.0=5...(8) H THR 33 - HA LEU 55 OK 14 83 - 16 - 250/3.6=3, 3233/3.0=2...(7) H GLY 39 - HA LEU 55 OK 12 71 - 17 - 250/3.6=2, 3226/3.0=2...(8) Peak 3220 from cnoeabs.peaks (4.06, 4.06, 57.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + HA LEU 55 OK 100 100 - 100 Peak 3221 from cnoeabs.peaks (2.00, 4.06, 57.73 ppm; 3.97 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 HB3 PRO 68 - HA LEU 55 OK 33 87 - 38 - 252/3.6=4, 3742/4.3=4...(19) HG2 PRO 68 - HA LEU 55 OK 29 81 - 36 - 1.8/3241=4, 252/3.6=4...(18) HB3 ARG 53 - HA LEU 55 OK 29 78 - 37 - ~6064=5, 1026/3.0=5...(16) HG LEU 114 - HA LEU 55 OK 29 81 - 36 - 2.1/7007=5, 2.1/3225=5...(14) HG2 PRO 60 - HA LEU 55 OK 23 99 - 24 - 252/3.6=4, ~1631=3...(7) HB2 LYS 46 - HA LEU 55 OK 22 100 - 22 - 8272=2, 3.0/6861=2...(9) HB2 LEU 41 - HA LEU 55 OK 20 87 - 23 - 1026/3.0=2, 3227=2...(8) HB ILE 124 - HA LEU 55 OK 10 87 - 12 - HB3 GLN 103 - HA LEU 55 lone 7 87 - 8 - 3.0/7772=2, 4.0/507=1 HB2 GLU 94 - HA LEU 55 lone 6 100 - 6 - HB2 ARG 71 - HA LEU 55 lone 6 65 - 8 - 1.8/3222=2 HB2 MET 11 - HA LEU 55 lone 5 92 - 5 - 4.2/6999=1 HG LEU 45 - HA LEU 55 lone 4 60 - 6 - Peak 3222 from cnoeabs.peaks (1.72, 4.06, 57.73 ppm; 3.90 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 HB3 LEU 77 + HA LEU 55 OK 52 99 - 53 - 3234=6, 3229/3.0=6...(22) HB2 LYS 31 + HA LEU 55 OK 52 99 - 53 - 3229/3.0=6, 1.8/3223=6...(24) HB2 ARG 53 - HA LEU 55 OK 27 73 - 37 - 1027/3.0=5, ~6064=5...(17) HB2 LEU 91 - HA LEU 55 OK 17 89 - 19 - 4.0/8639=2, 3.0/7012=2...(8) HB3 ARG 71 - HA LEU 55 OK 11 97 - 11 - 3229/3.0=1, 1027/3.0=1 HG2 ARG 71 - HA LEU 55 lone 6 68 - 8 - Peak 3223 from cnoeabs.peaks (1.88, 4.06, 57.73 ppm; 3.70 A): 3 out of 15 assignments used, quality = 0.96: * HG LEU 55 + HA LEU 55 OK 86 100 - 86 - 4.3=65, 2.1/3224=13...(13) HB3 LYS 31 + HA LEU 55 OK 48 100 - 48 - 1.8/3222=7, 2417/3.0=6...(21) HB2 LEU 58 + HA LEU 55 OK 41 96 - 43 - 3.1/8292=8, 3.9/8639=7...(11) HG3 PRO 68 - HA LEU 55 OK 29 93 - 31 - 3243/3.0=4, 3241=3...(12) HB2 LYS 119 - HA LEU 55 OK 24 100 - 24 - 4.7/6999=4, 4.0/6077=3...(7) HB VAL 50 - HA LEU 55 OK 21 100 - 21 - 2.1/7009=5, ~246=3...(10) HB ILE 22 - HA LEU 55 OK 21 71 - 30 - 2.1/3224=4, 2152/4.0=3...(17) HB3 LYS 109 - HA LEU 55 OK 20 87 - 23 - 4901=4, 1.8/4891=3...(7) HB2 ARG 92 - HA LEU 55 OK 17 99 - 17 - 4.2/7000=5, 5.1/7000=2...(6) HB3 GLU 28 - HA LEU 55 lone 9 93 - 10 - 3230/3.0=1, 254/3.6=1 HB2 GLU 28 - HA LEU 55 poor 9 83 - 10 - 6564/4.0=2 HG LEU 84 - HA LEU 55 lone 8 100 - 8 - HB2 LEU 84 - HA LEU 55 lone 4 85 - 4 - HB2 ARG 81 - HA LEU 55 lone 4 73 - 5 - 254/3.6=1 HB3 GLU 73 - HA LEU 55 lone 3 65 - 4 - Peak 3224 from cnoeabs.peaks (0.94, 4.06, 57.73 ppm; 3.11 A): 9 out of 12 assignments used, quality = 0.94: * QD1 LEU 55 + HA LEU 55 OK 70 100 - 70 - 4.0=48, 3247/3.0=8...(14) QG2 VAL 115 + HA LEU 55 OK 28 97 - 29 - 7974=6, 2.1/6228=4...(10) QD1 ILE 63 + HA LEU 55 OK 22 99 - 22 - 8310/3.0=5, 7127/3.0=5...(5) QG2 ILE 22 + HA LEU 55 OK 21 97 - 21 - 2159/4.0=3, 6428/3.0=2...(8) QD2 LEU 27 + HA LEU 55 OK 17 96 - 18 - 3.1/8292=3, 3.1/7011=2...(4) QD1 LEU 27 + HA LEU 55 OK 15 98 - 15 - 3.1/8292=3, 3.1/7011=2...(4) QG2 VAL 49 + HA LEU 55 OK 14 92 - 15 - 3248=3, 3247/3.0=2...(6) QD1 LEU 117 + HA LEU 55 OK 13 68 - 19 - 2.1/7009=5, 4.6/6999=2...(5) QD1 LEU 41 + HA LEU 55 OK 12 100 - 12 - 1029/3.0=1, 3.1/3221=1 QG2 ILE 124 - HA LEU 55 lone 4 76 - 6 - QD1 LEU 126 - HA LEU 55 lone 3 65 - 4 - 4.7/8639=1 HB2 GLN 42 - HA LEU 55 lone 3 87 - 3 - Peak 3225 from cnoeabs.peaks (0.85, 4.06, 57.73 ppm; 3.94 A): 1 out of 9 assignments used, quality = 0.99: * QD2 LEU 55 + HA LEU 55 OK 99 100 - 99 - 4.0=97, 2.1/3224=14...(14) QD2 LEU 114 - HA LEU 55 OK 42 100 - 42 - 2.1/7007=5, 3.1/7012=4...(15) QG1 VAL 115 - HA LEU 55 OK 38 87 - 44 - 2.1/7974=8, 7970=6...(15) HG13 ILE 22 - HA LEU 55 OK 31 97 - 31 - 3232/3.0=4, 3.2/3224=3...(11) QD1 LEU 59 - HA LEU 55 OK 30 99 - 30 - 4.6/6999=7, 2.1/7011=4...(9) QD1 LEU 93 - HA LEU 55 OK 26 85 - 30 - 4.7/7000=5, 2.1/7012=3...(11) HG13 ILE 80 - HA LEU 55 OK 17 81 - 21 - 2.1/7412=5, 3.2/7010=3...(4) HB2 ASN 118 - HA LEU 55 OK 12 68 - 18 - 4.0/8639=4, 4.6/6077=3...(5) QD2 LEU 126 - HA LEU 55 lone 6 73 - 8 - 4.7/8639=2 Peak 3226 from cnoeabs.peaks (8.12, 2.00, 41.36 ppm; 3.93 A): 1 out of 8 assignments used, quality = 0.97: * H LEU 55 + HB2 LEU 55 OK 97 100 - 97 - 4.0=92, 1027/1.8=19...(11) HD22 ASN 79 - HB2 LEU 55 OK 28 93 - 30 - 3233/1.8=5, 3219/3.0=5...(8) H LEU 55 - HB2 LEU 41 OK 13 64 - 20 - 1629/4.1=4, 1026=3...(7) H THR 33 - HB2 LEU 55 OK 12 83 - 14 - 3233/1.8=3, 3219/3.0=3...(6) H GLY 39 - HB2 LEU 55 OK 12 71 - 16 - 3219/3.0=2, 3.6/6005=2...(7) H GLY 39 - HB2 LEU 41 OK 10 38 - 27 - 3.6/6005=8, 1585/4.1=6...(11) HD22 ASN 79 - HB2 LEU 41 lone 4 55 - 8 - 1585/4.1=2, 7383/3.1=1 H THR 33 - HB2 LEU 41 lone 2 47 - 5 - 131/1.8=1 Peak 3227 from cnoeabs.peaks (4.06, 2.00, 41.36 ppm; 4.15 A): 1 out of 18 assignments used, quality = 1.00: * HA LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.0=100 HA SER 44 - HB2 LEU 41 OK 33 59 - 57 - ~6023=9, ~6024=7...(18) HA LYS 31 - HB2 LEU 55 OK 33 68 - 48 - 3.0/3229=6, 2397/1.8=5...(24) HA SER 112 - HB2 LEU 55 OK 28 100 - 28 - 7919/3.1=4, 3255/3.1=3...(12) HA VAL 120 - HB2 LEU 55 OK 23 68 - 34 - ~7009=4, ~6999=4...(18) HA LYS 109 - HB2 LEU 55 OK 19 100 - 19 - 3241/3.0=2, 1025/4.0=2...(9) HD3 PRO 37 - HB2 LEU 55 OK 18 95 - 19 - 251/4.2=3, 1025/4.0=2...(7) HA SER 112 - HB2 LEU 41 OK 17 64 - 26 - ~5563=4, 4.8/8418=3...(10) HA LEU 55 - HB2 LEU 41 OK 16 64 - 25 - 3221=3, 3.0/3226=2...(9) HA SER 44 - HB2 LEU 55 OK 16 97 - 16 - 6827/3.1=2, 3255/3.1=1...(5) HA TYR 102 - HB2 LEU 55 OK 11 97 - 11 - 7747=1, 1025/4.0=1 HA TYR 102 - HB2 LEU 41 poor 6 60 - 10 - 7746/3.0=3, 7747=2 HA LYS 109 - HB2 LEU 41 lone 5 64 - 8 - 6205/4.2=4 HD3 PRO 37 - HB2 LEU 41 lone 4 56 - 7 - 5542/4.1=2, ~6024=1 HA GLN 16 - HB2 LEU 55 lone 3 73 - 4 - HA GLN 16 - HB2 LEU 41 lone 1 40 - 3 - HA LYS 31 - HB2 LEU 41 lone 1 37 - 2 - HA VAL 120 - HB2 LEU 41 lone 1 37 - 2 - Peak 3228 from cnoeabs.peaks (2.00, 2.00, 41.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 HB2 LEU 41 + HB2 LEU 41 OK 50 50 - 100 Peak 3229 from cnoeabs.peaks (1.72, 2.00, 41.36 ppm; 3.41 A): 3 out of 14 assignments used, quality = 1.00: * HB3 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 1.8=100 HB2 LYS 31 + HB2 LEU 55 OK 50 99 - 50 - 3222/3.0=4, ~2417=4...(26) HB3 LEU 77 + HB2 LEU 55 OK 49 99 - 50 - 3235=6, ~4000=5...(22) HB2 ARG 53 - HB2 LEU 55 OK 26 73 - 36 - 3132=3, 1027/4.0=3...(18) HB3 LEU 55 - HB2 LEU 41 OK 14 64 - 22 - 3235=2, 3.0/3221=1...(7) HB3 LEU 77 - HB2 LEU 41 OK 14 62 - 22 - ~6749=3, ~6751=2, 3235=2...(11) HB2 LEU 91 - HB2 LEU 55 OK 11 89 - 12 - 3222/3.0=1, 3257/3.1=1 HB3 ARG 71 - HB2 LEU 55 OK 10 97 - 10 - HB2 ARG 53 - HB2 LEU 41 poor 7 40 - 17 - 3129/4.1=2, ~2795=2...(8) HG2 ARG 71 - HB2 LEU 55 lone 6 68 - 9 - HB3 ARG 71 - HB2 LEU 41 lone 3 59 - 4 - HG2 ARG 71 - HB2 LEU 41 lone 2 37 - 4 - HB2 LYS 31 - HB2 LEU 41 lone 1 62 - 2 - HB2 LEU 91 - HB2 LEU 41 lone 1 51 - 2 - Peak 3230 from cnoeabs.peaks (1.88, 2.00, 41.36 ppm; 3.68 A): 2 out of 30 assignments used, quality = 1.00: * HG LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 + HB2 LEU 55 OK 54 100 - 55 - 2417/1.8=7, 1.8/3229=7...(27) HG3 PRO 68 - HB2 LEU 55 OK 41 93 - 44 - 3243/1.8=5, 3246/3.1=3...(28) HB ILE 22 - HB2 LEU 55 OK 29 71 - 42 - 2152/3.1=4, 3.0/6060=3...(24) HB VAL 50 - HB2 LEU 55 OK 27 100 - 27 - 3.0/6047=4, ~7015=3...(14) HB2 LEU 58 - HB2 LEU 55 OK 26 96 - 27 - 7057/3.0=4, ~8292=3...(12) HB2 ARG 92 - HB2 LEU 55 OK 17 99 - 18 - 4.2/7001=4, 5.1/7001=2...(5) HB3 GLU 28 - HB2 LEU 55 OK 17 93 - 18 - ~6564=2, 2318/3.0=1...(6) HB2 LYS 119 - HB2 LEU 55 OK 16 100 - 16 - 3223/3.0=2, 4.0/5628=2...(6) HB2 GLU 28 - HB2 LEU 55 OK 14 83 - 17 - 6564/3.1=2, 2313/3.0=1, ~7017=1 HB3 LYS 109 - HB2 LEU 55 OK 14 87 - 16 - 4901/3.0=2, 2.9/3227=1, ~4891=1 HG LEU 55 - HB2 LEU 41 OK 14 64 - 21 - 2.1/3256=2, 3.0/3235=1...(9) HB ILE 22 - HB2 LEU 41 poor 8 38 - 20 - 2151/3.0=2, ~2795=1...(7) HG LEU 84 - HB2 LEU 55 lone 7 100 - 7 - HG3 PRO 68 - HB2 LEU 41 poor 6 55 - 11 - ~7228=1, ~7226=1 HB2 ARG 81 - HB2 LEU 55 lone 5 73 - 7 - 254/4.2=1, 5.0/8294=1 HB2 LEU 84 - HB2 LEU 55 lone 4 85 - 5 - HB3 GLU 73 - HB2 LEU 41 lone 3 35 - 8 - ~6008=1 HB2 ARG 92 - HB2 LEU 41 lone 2 61 - 4 - HB VAL 50 - HB2 LEU 41 lone 2 64 - 4 - HB3 GLU 73 - HB2 LEU 55 lone 2 65 - 3 - HB2 LEU 84 - HB2 LEU 41 lone 2 48 - 4 - ~6026=2 HB2 LYS 119 - HB2 LEU 41 lone 2 64 - 2 - HB2 LEU 58 - HB2 LEU 41 lone 2 58 - 3 - HB2 GLU 28 - HB2 LEU 41 lone 1 47 - 3 - HB3 GLU 28 - HB2 LEU 41 lone 1 55 - 2 - HG LEU 84 - HB2 LEU 41 lone 1 64 - 2 - HB3 LYS 31 - HB2 LEU 41 lone 1 64 - 2 - HB2 ARG 81 - HB2 LEU 41 lone 1 40 - 3 - HB3 LYS 109 - HB2 LEU 41 lone 1 50 - 2 - Peak 3231 from cnoeabs.peaks (0.94, 2.00, 41.36 ppm; 3.37 A): 2 out of 24 assignments used, quality = 1.00: * QD1 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.1=100 QD1 LEU 41 + HB2 LEU 41 OK 64 64 - 100 - 3.1=100 QG2 ILE 22 - HB2 LEU 55 OK 36 97 - 38 - 2159/3.1=5, 3224/3.0=3...(15) QD1 ILE 63 - HB2 LEU 55 OK 35 99 - 36 - 8309=8, 8310/1.8=7...(11) QG2 VAL 115 - HB2 LEU 55 OK 34 97 - 36 - 8168=6, 7974/3.0=5...(17) QD1 LEU 27 - HB2 LEU 41 OK 32 61 - 53 - 2294/1.8=4, ~2301=4...(26) QD2 LEU 27 - HB2 LEU 41 OK 31 58 - 54 - 2301/1.8=7, 6524/3.0=6...(28) HB2 GLN 42 - HB2 LEU 41 OK 26 50 - 53 - 2827/4.2=10, 2832/1.8=7...(23) QD2 LEU 27 - HB2 LEU 55 OK 22 96 - 23 - 3224/3.0=2, 3238/1.8=2...(8) QD1 LEU 27 - HB2 LEU 55 OK 22 98 - 22 - 3224/3.0=2, 3238/1.8=2...(10) QD1 LEU 41 - HB2 LEU 55 OK 22 100 - 22 - 2814=2, 3224/3.0=2...(9) QG2 VAL 49 - HB2 LEU 55 OK 18 92 - 19 - 2.1/8492=4, 3250/1.8=2...(8) QG2 ILE 124 - HB2 LEU 41 OK 18 42 - 43 - 5350=4, 3.2/5371=4...(25) QD1 ILE 63 - HB2 LEU 41 OK 17 63 - 28 - 8309=5, 7126/4.1=3...(11) QD1 LEU 117 - HB2 LEU 55 OK 14 68 - 20 - ~7009=3, ~8297=2...(7) QG2 VAL 49 - HB2 LEU 41 OK 13 54 - 25 - 2.1/8492=3, ~6903=2...(12) QD1 LEU 55 - HB2 LEU 41 OK 13 64 - 20 - 3249=2, 2.1/3256=2...(9) QG2 VAL 115 - HB2 LEU 41 OK 13 59 - 22 - 8168=3, 2783/3.0=2...(8) QG2 ILE 22 - HB2 LEU 41 OK 11 59 - 19 - 2158/3.0=2, 2797/1.8=2...(6) QG2 ILE 124 - HB2 LEU 55 OK 10 76 - 13 - 5350=1 QD1 LEU 126 - HB2 LEU 55 lone 6 65 - 9 - 4.7/8128=2 HB2 GLN 42 - HB2 LEU 55 lone 5 87 - 5 - QD1 LEU 126 - HB2 LEU 41 lone 3 35 - 9 - 4.7/8128=1 QD1 LEU 117 - HB2 LEU 41 lone 2 37 - 4 - Peak 3232 from cnoeabs.peaks (0.85, 2.00, 41.36 ppm; 3.62 A): 1 out of 18 assignments used, quality = 1.00: * QD2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.1=100 HG13 ILE 22 - HB2 LEU 55 OK 37 97 - 38 - 3239/1.8=4, 3246/3.0=3...(19) QD2 LEU 114 - HB2 LEU 55 OK 34 100 - 34 - 3225/3.0=3, 5088=3...(17) QG1 VAL 115 - HB2 LEU 55 OK 31 87 - 36 - 2.1/8168=6, 7970/3.0=4...(17) QD1 LEU 59 - HB2 LEU 55 OK 29 99 - 30 - 3239/1.8=3, 3225/3.0=2...(14) QD1 LEU 93 - HB2 LEU 55 OK 18 85 - 21 - 4.7/7001=3, 3225/3.0=2...(10) QD2 LEU 55 - HB2 LEU 41 OK 15 64 - 23 - 3256=3, 8498/4.1=2...(9) HG13 ILE 22 - HB2 LEU 41 OK 12 60 - 21 - 2172/3.0=2, ~2795=2...(9) HG13 ILE 80 - HB2 LEU 55 poor 10 81 - 12 - ~7412=2, ~7010=2...(4) QG1 VAL 115 - HB2 LEU 41 poor 10 50 - 19 - 2.1/8168=4, 5112/3.1=1...(6) QD2 LEU 126 - HB2 LEU 55 lone 7 73 - 10 - 4.7/8128=2, 4.0/6060=1 QD2 LEU 114 - HB2 LEU 41 poor 6 64 - 10 - 5088=1 QD1 LEU 59 - HB2 LEU 41 lone 6 63 - 9 - HG13 ILE 80 - HB2 LEU 41 poor 6 45 - 12 - 4091/3.0=2, ~4098=1, ~4070=1 HB2 ASN 118 - HB2 LEU 55 lone 5 68 - 8 - 4.6/5628=2, 3225/3.0=1 QD2 LEU 126 - HB2 LEU 41 poor 4 40 - 10 - 4.7/8128=1 QD1 LEU 93 - HB2 LEU 41 lone 3 48 - 6 - 5806/4.1=2 HB2 ASN 118 - HB2 LEU 41 lone 1 37 - 2 - Peak 3233 from cnoeabs.peaks (8.12, 1.72, 41.36 ppm; 3.88 A): 1 out of 8 assignments used, quality = 0.96: * H LEU 55 + HB3 LEU 55 OK 96 100 - 96 - 4.0=89, 3226/1.8=20...(12) H LEU 55 - HB3 LEU 77 OK 31 94 - 34 - 1027=7, 3.0/3222=6...(10) HD22 ASN 79 - HB3 LEU 55 OK 28 93 - 30 - 3226/1.8=6, 3219/3.0=5...(8) H THR 33 - HB3 LEU 55 OK 14 83 - 16 - 3219/3.0=3, 3226/1.8=2...(7) H THR 33 - HB3 LEU 77 OK 13 73 - 18 - 4.6/120=3, 132/3.0=2...(8) H GLY 39 - HB3 LEU 55 OK 11 71 - 15 - 3226/1.8=2, 3219/3.0=2...(6) HD22 ASN 79 - HB3 LEU 77 lone 6 84 - 7 - 7384/3.1=1 H GLY 39 - HB3 LEU 77 lone 5 61 - 7 - 1448/4.0=2, 4.6/4004=1 Peak 3234 from cnoeabs.peaks (4.06, 1.72, 41.36 ppm; 4.12 A): 2 out of 18 assignments used, quality = 1.00: * HA LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.0=100 HA LEU 55 + HB3 LEU 77 OK 55 94 - 59 - 3222=10, 3.0/3229=6...(22) HA TYR 102 - HB3 LEU 77 OK 43 89 - 49 - ~7350=11, 7740/3.1=11...(9) HA LYS 31 - HB3 LEU 55 OK 38 68 - 56 - 3.0/2417=7, 2397=5...(29) HA SER 112 - HB3 LEU 55 OK 26 100 - 26 - 7919/3.1=4, 3227/1.8=3...(10) HA VAL 120 - HB3 LEU 55 OK 23 68 - 34 - ~7009=4, ~6999=4...(17) HD3 PRO 37 - HB3 LEU 77 OK 22 85 - 26 - 5542/4.0=4, ~6683=4...(8) HA LYS 31 - HB3 LEU 77 OK 21 59 - 36 - 3.6/120=4, 2.9/893=3...(18) HA LYS 109 - HB3 LEU 55 OK 18 100 - 18 - 3227/1.8=2, 3241/3.0=2...(8) HD3 PRO 37 - HB3 LEU 55 OK 18 95 - 19 - 251/4.2=3, 3227/1.8=2...(7) HA SER 44 - HB3 LEU 55 OK 15 97 - 15 - 3227/1.8=2, 6827/3.1=2...(5) HA TYR 102 - HB3 LEU 55 OK 10 97 - 11 - 7747/1.8=1, 7740/4021=1 HA SER 44 - HB3 LEU 77 lone 7 88 - 8 - 6828/3.1=3, ~6830=1, ~6832=1 HA SER 112 - HB3 LEU 77 lone 6 93 - 6 - ~568=2, ~5882=1 HA LYS 109 - HB3 LEU 77 lone 4 93 - 5 - 7351/3.1=2 HA VAL 120 - HB3 LEU 77 lone 3 59 - 4 - HA GLN 16 - HB3 LEU 55 lone 3 73 - 3 - HA GLN 16 - HB3 LEU 77 lone 2 64 - 3 - Peak 3235 from cnoeabs.peaks (2.00, 1.72, 41.36 ppm; 3.44 A): 2 out of 28 assignments used, quality = 1.00: * HB2 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 1.8=100 HB2 LEU 55 + HB3 LEU 77 OK 49 94 - 52 - 3229=8, ~4000=5...(22) HB3 PRO 68 - HB3 LEU 55 OK 39 87 - 45 - 3742/3.0=4, 2.3/3243=4...(27) HG2 PRO 68 - HB3 LEU 55 OK 33 81 - 41 - 1.8/3243=4, 3749/3.0=3...(30) HB3 ARG 53 - HB3 LEU 55 OK 26 78 - 34 - 1026/4.0=3, ~3132=3...(19) HG LEU 114 - HB3 LEU 55 OK 20 81 - 25 - 2.1/3239=2, ~7007=2...(9) HB2 LEU 41 - HB3 LEU 55 OK 19 87 - 22 - 3229=2, 3221/3.0=1...(8) HB2 LEU 41 - HB3 LEU 77 OK 19 77 - 25 - ~6749=3, 6746/1.8=3...(12) HG2 PRO 60 - HB3 LEU 55 OK 16 99 - 16 - 252/4.2=3, 1026/4.0=2...(5) HB2 LYS 46 - HB3 LEU 55 OK 13 100 - 12 - 3221/3.0=2 HB ILE 124 - HB3 LEU 55 OK 11 87 - 12 - HB3 PRO 68 - HB3 LEU 77 lone 7 77 - 9 - 7229/3.1=2, ~7227=1, ~7223=1 HB2 GLU 94 - HB3 LEU 55 lone 6 100 - 6 - HB2 ARG 71 - HB3 LEU 55 lone 6 65 - 9 - HG2 PRO 68 - HB3 LEU 77 lone 5 71 - 8 - ~7229=1, ~7233=1...(4) HG LEU 45 - HB3 LEU 77 lone 5 52 - 10 - ~4002=1, 2.1/4009=1...(5) HB ILE 124 - HB3 LEU 77 lone 5 77 - 6 - 5346/3.0=1 HB3 GLN 103 - HB3 LEU 55 lone 3 87 - 4 - HB2 MET 11 - HB3 LEU 55 lone 2 92 - 3 - HG LEU 45 - HB3 LEU 55 lone 2 60 - 4 - HB2 LYS 46 - HB3 LEU 77 lone 2 93 - 2 - HG2 PRO 60 - HB3 LEU 77 lone 2 91 - 2 - HB2 ARG 71 - HB3 LEU 77 lone 2 56 - 3 - HB3 ARG 53 - HB3 LEU 77 lone 1 68 - 2 - HG LEU 114 - HB3 LEU 77 lone 1 71 - 2 - HB3 GLN 103 - HB3 LEU 77 lone 1 77 - 1 - HB2 MET 11 - HB3 LEU 77 lone 1 82 - 1 - HB2 GLU 94 - HB3 LEU 77 lone 1 93 - 1 - Peak 3236 from cnoeabs.peaks (1.72, 1.72, 41.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 55 + HB3 LEU 55 OK 100 100 - 100 HB3 LEU 77 + HB3 LEU 77 OK 91 91 - 100 Peak 3237 from cnoeabs.peaks (1.88, 1.72, 41.36 ppm; 3.80 A): 4 out of 30 assignments used, quality = 1.00: * HG LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 + HB3 LEU 55 OK 64 100 - 64 - 2417=8, 2.9/2427=5...(34) HG LEU 55 + HB3 LEU 77 OK 49 94 - 53 - 3243=7, 2.1/3257=6...(21) HG3 PRO 68 + HB3 LEU 55 OK 46 93 - 50 - 3243=6, 3230/1.8=4...(29) HB ILE 22 - HB3 LEU 55 OK 32 71 - 45 - 2152/3.1=4, 3.0/6062=3...(27) HB3 LYS 31 - HB3 LEU 77 OK 31 94 - 33 - 2417=3, ~4000=3...(13) HB VAL 50 - HB3 LEU 55 OK 30 100 - 30 - ~6047=4, ~7015=3...(14) HB2 LEU 58 - HB3 LEU 55 OK 28 96 - 29 - 7057/3.0=4, ~8292=3...(11) HB VAL 50 - HB3 LEU 77 OK 22 94 - 23 - 3055/3.1=4, ~4002=4...(10) HB2 ARG 92 - HB3 LEU 55 OK 20 99 - 20 - 4.2/7002=3, 5.1/7002=2...(8) HB2 LYS 119 - HB3 LEU 55 OK 19 100 - 19 - 3223/3.0=2, 5200/4.2=2...(7) HB3 GLU 28 - HB3 LEU 55 OK 18 93 - 20 - ~6564=2, 3230/1.8=2...(6) HB3 GLU 73 - HB3 LEU 77 OK 17 56 - 30 - ~8738=4, ~8739=4...(12) HB2 GLU 28 - HB3 LEU 55 OK 16 83 - 19 - 6564/3.1=2, 2313/3.0=1...(6) HB3 LYS 109 - HB3 LEU 55 OK 15 87 - 17 - 4901/3.0=2, ~4891=1...(5) HB2 LYS 119 - HB3 LEU 77 OK 13 94 - 13 - 5201/3.0=2, ~6108=1 HG3 PRO 68 - HB3 LEU 77 OK 10 84 - 12 - 7233/3.1=2, ~7229=2...(4) HG LEU 84 - HB3 LEU 55 lone 8 100 - 8 - HB ILE 22 - HB3 LEU 77 poor 7 61 - 11 - 5982/3.0=2, ~6443=1 HG LEU 84 - HB3 LEU 77 lone 6 93 - 6 - 4253/4.0=1 HB2 ARG 81 - HB3 LEU 55 lone 5 73 - 7 - 5.0/8295=1, 254/4.2=1 HB2 LEU 84 - HB3 LEU 55 lone 5 85 - 6 - HB3 GLU 28 - HB3 LEU 77 lone 5 84 - 6 - 3.8/4004=1 HB2 GLU 28 - HB3 LEU 77 lone 4 73 - 5 - 3.8/4004=1 HB2 LEU 58 - HB3 LEU 77 lone 4 86 - 5 - HB2 LEU 84 - HB3 LEU 77 lone 4 75 - 5 - HB3 LYS 109 - HB3 LEU 77 lone 3 77 - 4 - HB2 ARG 92 - HB3 LEU 77 lone 3 91 - 3 - HB3 GLU 73 - HB3 LEU 55 lone 3 65 - 4 - HB2 ARG 81 - HB3 LEU 77 lone 2 64 - 4 - Peak 3238 from cnoeabs.peaks (0.94, 1.72, 41.36 ppm; 3.59 A): 1 out of 24 assignments used, quality = 1.00: * QD1 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.1=100 QD1 LEU 55 - HB3 LEU 77 OK 43 94 - 47 - 3250=7, 2.1/3257=5...(21) QG2 ILE 22 - HB3 LEU 55 OK 40 97 - 42 - 2159/3.1=6, 3224/3.0=3...(19) QD1 ILE 63 - HB3 LEU 55 OK 38 99 - 39 - 8310=10, 8309/1.8=7...(11) QG2 VAL 115 - HB3 LEU 55 OK 36 97 - 37 - 8168/1.8=6, 7974/3.0=5...(16) QD1 LEU 41 - HB3 LEU 77 OK 25 93 - 27 - 8267/1.8=6, ~6751=3...(12) QD2 LEU 27 - HB3 LEU 55 OK 25 96 - 26 - 3224/3.0=2, 3259/3.1=2...(11) QD1 LEU 27 - HB3 LEU 55 OK 25 98 - 25 - 3224/3.0=2, 3259/3.1=2...(11) QD1 LEU 41 - HB3 LEU 55 OK 22 100 - 22 - 2814/1.8=2, 3224/3.0=2...(8) QD1 LEU 27 - HB3 LEU 77 OK 21 90 - 24 - 6531/3.1=4, 8267/1.8=3...(10) QD2 LEU 27 - HB3 LEU 77 OK 20 86 - 23 - 6528/3.1=4, ~6560=2...(10) QG2 VAL 49 - HB3 LEU 55 OK 20 92 - 21 - ~8492=3, 3250=3...(9) QD1 LEU 117 - HB3 LEU 55 OK 15 68 - 23 - ~7009=4, ~8297=2, 3250=2...(9) QG2 VAL 115 - HB3 LEU 77 OK 12 88 - 13 - 7978/1.8=5, ~8340=2, ~7969=1 QG2 ILE 124 - HB3 LEU 55 OK 10 76 - 13 - 5350/1.8=1 QG2 ILE 22 - HB3 LEU 77 OK 10 88 - 12 - ~5982=1, ~6108=1 HB2 GLN 42 - HB3 LEU 77 poor 10 77 - 12 - 2827/4.3=2, 4.0/5729=1...(4) QD1 ILE 63 - HB3 LEU 77 lone 6 92 - 7 - 8310=2 QD1 LEU 126 - HB3 LEU 55 lone 5 65 - 8 - 4.0/6062=1 QG2 ILE 124 - HB3 LEU 77 lone 5 66 - 7 - 5353/3.0=1 HB2 GLN 42 - HB3 LEU 55 lone 4 87 - 5 - QG2 VAL 49 - HB3 LEU 77 lone 4 82 - 4 - QD1 LEU 117 - HB3 LEU 77 lone 2 59 - 3 - QD1 LEU 126 - HB3 LEU 77 lone 1 56 - 1 - Peak 3239 from cnoeabs.peaks (0.85, 1.72, 41.36 ppm; 3.79 A): 2 out of 18 assignments used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.1=100 QD2 LEU 55 + HB3 LEU 77 OK 47 94 - 51 - 3257=8, 2.1/3250=5...(21) HG13 ILE 22 - HB3 LEU 55 OK 40 97 - 42 - 3232/1.8=4, 3246/3.0=3...(24) QG1 VAL 115 - HB3 LEU 55 OK 34 87 - 39 - ~8168=5, 7970/3.0=4...(19) QD1 LEU 59 - HB3 LEU 55 OK 33 99 - 33 - 3232/1.8=3, 3257=3...(16) QD2 LEU 114 - HB3 LEU 55 OK 32 100 - 32 - 3232/1.8=4, 3225/3.0=4...(17) HG13 ILE 80 - HB3 LEU 77 OK 30 71 - 42 - ~7419=8, ~7420=6...(14) QD1 LEU 93 - HB3 LEU 55 OK 19 85 - 22 - 4.7/7002=3, 3225/3.0=2...(9) HG13 ILE 22 - HB3 LEU 77 OK 11 89 - 12 - ~6443=1 HG13 ILE 80 - HB3 LEU 55 OK 11 81 - 13 - ~7412=2, ~7010=2...(5) QG1 VAL 115 - HB3 LEU 77 poor 10 77 - 12 - ~7978=4, ~8340=2, 7969/3.0=2 QD2 LEU 126 - HB3 LEU 55 lone 7 73 - 9 - 4.0/6062=1 HB2 ASN 118 - HB3 LEU 55 lone 6 68 - 8 - 4.6/5629=2, 3225/3.0=1 QD1 LEU 59 - HB3 LEU 77 lone 3 92 - 3 - QD1 LEU 93 - HB3 LEU 77 lone 2 75 - 3 - QD2 LEU 114 - HB3 LEU 77 lone 2 93 - 2 - HB2 ASN 118 - HB3 LEU 77 lone 1 59 - 1 - QD2 LEU 126 - HB3 LEU 77 lone 1 64 - 1 - Peak 3240 from cnoeabs.peaks (8.12, 1.88, 26.99 ppm; 5.35 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 55 + HG LEU 55 OK 100 100 - 100 - 4.7=100 HD22 ASN 79 - HG LEU 55 OK 42 93 - 45 - 3254/2.1=8, 3226/3.0=7...(8) H LEU 55 - HG3 PRO 68 OK 40 92 - 43 - 4.0/3243=5, 3.0/3241=5...(13) H THR 33 - HG LEU 55 OK 20 83 - 24 - 3254/2.1=4, 4.6/121=4...(8) H GLY 39 - HG LEU 55 OK 17 71 - 23 - 3254/2.1=4, 3226/3.0=3...(9) HD22 ASN 79 - HG3 PRO 68 OK 15 82 - 18 - ~662=3, 668/2.3=3...(6) H GLY 39 - HG3 PRO 68 lone 5 60 - 7 - H THR 33 - HG3 PRO 68 lone 3 71 - 4 - Peak 3241 from cnoeabs.peaks (4.06, 1.88, 26.99 ppm; 4.43 A): 1 out of 18 assignments used, quality = 1.00: * HA LEU 55 + HG LEU 55 OK 100 100 - 100 - 4.3=100 HA LEU 55 - HG3 PRO 68 OK 38 92 - 41 - 3.0/3243=5, 3.6/254=4...(14) HA LYS 31 - HG LEU 55 OK 36 68 - 53 - 3.0/3243=6, 2397/3.0=4...(25) HA SER 112 - HG LEU 55 OK 28 100 - 28 - 7919/2.1=5, 3255/2.1=4...(11) HA LYS 109 - HG LEU 55 OK 22 100 - 22 - 3255/2.1=2, 4883=2...(9) HA VAL 120 - HG LEU 55 OK 22 68 - 32 - 3.2/8297=5, 3.0/611=4...(14) HA LYS 109 - HG3 PRO 68 OK 17 91 - 18 - 6206/2.3=3, 6206/2.3=3...(7) HA SER 44 - HG LEU 55 OK 16 97 - 17 - 6827/2.1=2, 3255/2.1=2...(9) HD3 PRO 37 - HG LEU 55 OK 16 95 - 17 - 251/4.8=3, 3255/2.1=2...(6) HA TYR 102 - HG LEU 55 lone 9 97 - 9 - 7747/3.0=1 HA SER 112 - HG3 PRO 68 lone 6 92 - 6 - HA SER 44 - HG3 PRO 68 lone 6 86 - 6 - 4.6/8298=1, ~184=1, ~6821=1 HD3 PRO 37 - HG3 PRO 68 lone 5 83 - 6 - HA LYS 31 - HG3 PRO 68 lone 4 58 - 7 - HA TYR 102 - HG3 PRO 68 lone 4 87 - 4 - HA GLN 16 - HG LEU 55 lone 3 73 - 4 - HA VAL 120 - HG3 PRO 68 lone 2 58 - 4 - HA GLN 16 - HG3 PRO 68 lone 2 62 - 3 - Peak 3242 from cnoeabs.peaks (2.00, 1.88, 26.99 ppm; 2.67 A): 3 out of 28 assignments used, quality = 0.98: * HB2 LEU 55 + HG LEU 55 OK 77 100 - 77 - 3.0=72, 3226/4.7=4...(7) HB3 PRO 68 + HG3 PRO 68 OK 75 75 - 100 - 2.3=100 HG2 PRO 68 + HG3 PRO 68 OK 69 69 - 100 - 1.8=100 HB3 PRO 68 - HG LEU 55 OK 28 87 - 33 - 3742=5, 1.8/3735=3...(13) HG2 PRO 68 - HG LEU 55 OK 24 81 - 30 - 3749=4, 2.3/3742=4...(14) HB2 LEU 55 - HG3 PRO 68 OK 20 92 - 22 - 1.8/3243=2, 3230=2...(8) HG2 PRO 60 - HG3 PRO 68 OK 16 89 - 18 - 3749=2, ~3471=2, ~3472=2...(10) HG LEU 114 - HG3 PRO 68 OK 13 69 - 19 - ~7958=2, 3749=2, ~7227=2...(9) HB2 GLU 94 - HG3 PRO 68 OK 12 92 - 13 - 4522/2.3=2, 4521/1.8=1 HB3 ARG 53 - HG LEU 55 OK 11 78 - 14 - 3256/2.1=1, 1026/4.7=1...(5) HB2 LYS 46 - HG3 PRO 68 OK 10 92 - 11 - 6864/2.3=2, 6864/2.3=2, ~6865=1 HG LEU 114 - HG LEU 55 OK 10 81 - 13 - 2.1/3246=1, 5082/2.1=1 HB2 LEU 41 - HG LEU 55 poor 9 87 - 10 - HG2 PRO 60 - HG LEU 55 lone 8 99 - 8 - 252/4.8=1 HB2 LYS 46 - HG LEU 55 lone 6 100 - 6 - HB ILE 124 - HG LEU 55 lone 6 87 - 6 - HB ILE 124 - HG3 PRO 68 lone 4 75 - 5 - HB2 LEU 41 - HG3 PRO 68 lone 4 75 - 5 - HB2 GLU 94 - HG LEU 55 lone 3 100 - 3 - HB3 ARG 53 - HG3 PRO 68 lone 3 67 - 4 - HB2 ARG 71 - HG LEU 55 lone 3 65 - 4 - HB3 GLN 103 - HG LEU 55 lone 1 87 - 1 - HB2 MET 11 - HG3 PRO 68 lone 1 80 - 2 - HG LEU 45 - HG LEU 55 lone 1 60 - 2 - HB2 MET 11 - HG LEU 55 lone 1 92 - 1 - HB3 GLN 103 - HG3 PRO 68 lone 1 75 - 1 - HB2 ARG 71 - HG3 PRO 68 lone 1 55 - 2 - HG LEU 45 - HG3 PRO 68 lone 1 50 - 2 - Peak 3243 from cnoeabs.peaks (1.72, 1.88, 26.99 ppm; 3.84 A): 4 out of 14 assignments used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 - 100 - 3.0=100 HB2 LYS 31 + HG LEU 55 OK 55 99 - 56 - 3257/2.1=6, 3250/2.1=6...(26) HB3 LEU 77 + HG LEU 55 OK 52 99 - 52 - 3257/2.1=6, 3250/2.1=6...(22) HB3 LEU 55 + HG3 PRO 68 OK 45 92 - 50 - 3237=4, 1.8/3230=4...(29) HB2 ARG 53 - HG LEU 55 OK 23 73 - 32 - 3257/2.1=3, 1027/4.7=3...(17) HB2 LEU 91 - HG LEU 55 OK 13 89 - 15 - 4.2/1224=2, 3257/2.1=2...(5) HB3 ARG 71 - HG LEU 55 OK 12 97 - 12 - 3257/2.1=1, 3250/2.1=1...(4) HB3 LEU 77 - HG3 PRO 68 OK 10 90 - 12 - ~7229=2, 3.1/7233=2...(4) HB2 LYS 31 - HG3 PRO 68 lone 7 90 - 8 - HG2 ARG 71 - HG LEU 55 lone 7 68 - 10 - HB2 ARG 53 - HG3 PRO 68 poor 6 62 - 10 - 3130/2.3=1 HB3 ARG 71 - HG3 PRO 68 lone 4 86 - 5 - HB2 LEU 91 - HG3 PRO 68 lone 3 77 - 5 - 4.2/1224=2 HG2 ARG 71 - HG3 PRO 68 lone 2 58 - 4 - Peak 3244 from cnoeabs.peaks (1.88, 1.88, 26.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 55 + HG LEU 55 OK 100 100 - 100 HG3 PRO 68 + HG3 PRO 68 OK 82 82 - 100 Peak 3245 from cnoeabs.peaks (0.94, 1.88, 26.99 ppm; 3.56 A): 1 out of 24 assignments used, quality = 1.00: * QD1 LEU 55 + HG LEU 55 OK 100 100 - 100 - 2.1=100 QD1 LEU 55 - HG3 PRO 68 OK 44 92 - 48 - 2.1/3246=4, 3251=4...(26) QG2 ILE 22 - HG LEU 55 OK 44 97 - 45 - 2159/2.1=7, ~2152=3...(26) QD1 ILE 63 - HG LEU 55 OK 33 99 - 33 - 8310/3.0=6, 8309/3.0=5...(12) QG2 VAL 115 - HG LEU 55 OK 31 97 - 32 - 8168/3.0=5, 7974/4.3=3...(15) QD2 LEU 27 - HG LEU 55 OK 25 96 - 26 - 3259/2.1=2, ~8619=2...(10) QD1 LEU 27 - HG LEU 55 OK 24 98 - 25 - ~8619=2, 3259/2.1=2...(9) QG2 VAL 49 - HG LEU 55 OK 22 92 - 24 - 4.3/995=2, ~8492=2...(14) QG2 VAL 49 - HG3 PRO 68 OK 20 80 - 24 - ~7226=5, 4.0/5693=3...(10) QD1 LEU 41 - HG LEU 55 OK 19 100 - 19 - 3259/2.1=2, 2814/3.0=1...(4) QD1 LEU 117 - HG LEU 55 OK 16 68 - 24 - 2.1/8297=4, ~8554=2...(12) QD1 ILE 63 - HG3 PRO 68 OK 12 90 - 13 - 7152/2.3=3, 7152/2.3=3...(4) QD1 LEU 41 - HG3 PRO 68 OK 11 92 - 12 - ~7228=2, ~7226=2...(4) QG2 ILE 22 - HG3 PRO 68 OK 10 86 - 12 - 6434/2.3=1, 6434/2.3=1 QG2 ILE 124 - HG LEU 55 poor 9 76 - 12 - QG2 ILE 124 - HG3 PRO 68 poor 8 65 - 12 - 5350/1.8=2, 5350/2.3=1...(4) QD1 LEU 117 - HG3 PRO 68 poor 8 58 - 13 - 2.1/8297=2, ~5168=2, ~5154=1 QG2 VAL 115 - HG3 PRO 68 lone 7 86 - 8 - 8168/2.3=1, 8168/1.8=1 QD1 LEU 126 - HG LEU 55 lone 5 65 - 8 - QD1 LEU 27 - HG3 PRO 68 lone 5 88 - 5 - 4.8/884=1 QD2 LEU 27 - HG3 PRO 68 lone 4 85 - 5 - 4.8/884=1 HB2 GLN 42 - HG LEU 55 lone 4 87 - 4 - QD1 LEU 126 - HG3 PRO 68 lone 2 55 - 3 - HB2 GLN 42 - HG3 PRO 68 lone 1 75 - 2 - Peak 3246 from cnoeabs.peaks (0.85, 1.88, 26.99 ppm; 3.78 A): 2 out of 18 assignments used, quality = 1.00: * QD2 LEU 55 + HG LEU 55 OK 100 100 - 100 - 2.1=100 QD2 LEU 55 + HG3 PRO 68 OK 49 92 - 53 - 7013/2.3=5, 7013/2.3=5...(24) HG13 ILE 22 - HG LEU 55 OK 43 97 - 45 - ~2166=4, 2171/2.1=4...(21) QD2 LEU 114 - HG3 PRO 68 OK 38 91 - 41 - 7958/2.3=8, 5088/2.3=5...(16) QD1 LEU 59 - HG LEU 55 OK 36 99 - 36 - 2.1/8414=4, 3.2/8298=3...(18) QG1 VAL 115 - HG LEU 55 OK 31 87 - 36 - 5112/2.1=4, ~8168=3...(18) QD2 LEU 114 - HG LEU 55 OK 30 100 - 30 - 3232/3.0=3, 3225/4.3=3...(13) QD1 LEU 93 - HG LEU 55 OK 18 85 - 21 - 4.7/8640=4, 3225/4.3=2...(6) HG13 ILE 22 - HG3 PRO 68 lone 9 87 - 10 - HG13 ILE 80 - HG LEU 55 lone 8 81 - 9 - 1030/4.7=1, 3225/4.3=1 QD2 LEU 126 - HG LEU 55 lone 7 73 - 9 - QD1 LEU 59 - HG3 PRO 68 lone 6 90 - 7 - HB2 ASN 118 - HG LEU 55 lone 6 68 - 9 - 4.6/1383=2 QG1 VAL 115 - HG3 PRO 68 lone 5 75 - 6 - ~8168=1 QD1 LEU 93 - HG3 PRO 68 lone 4 73 - 5 - 4.7/8640=1 QD2 LEU 126 - HG3 PRO 68 lone 3 62 - 4 - HG13 ILE 80 - HG3 PRO 68 lone 1 69 - 2 - HB2 ASN 118 - HG3 PRO 68 lone 1 58 - 2 - Peak 3247 from cnoeabs.peaks (8.12, 0.94, 23.76 ppm; 3.60 A): 7 out of 12 assignments used, quality = 0.93: * H LEU 55 + QD1 LEU 55 OK 78 100 - 78 - 4.6=49, 3226/3.1=13...(9) HD22 ASN 79 + QG2 VAL 49 OK 29 80 - 36 - 1.7/6912=9, 6911/3.2=8...(7) HD22 ASN 79 + QD1 LEU 55 OK 26 93 - 28 - 7383=4, 3254/2.1=4...(8) H LEU 55 + QG2 VAL 49 OK 17 90 - 19 - 1029=3, 6911/3.2=3...(5) H LEU 55 + QD1 LEU 117 OK 13 61 - 22 - 246/2.1=6, ~7009=4...(5) H GLY 39 + QD1 LEU 55 OK 11 71 - 15 - 3254/2.1=2, 3226/3.1=2...(7) H THR 33 + QD1 LEU 55 OK 11 83 - 13 - 3254/2.1=2, 3219/4.0=2...(7) H GLY 39 - QG2 VAL 49 poor 8 58 - 13 - 6911/3.2=2, 7383=1...(6) HD22 ASN 79 - QD1 LEU 117 lone 5 52 - 9 - 1.7/7381=2, 7383=1 H THR 33 - QG2 VAL 49 lone 3 69 - 4 - H GLY 39 - QD1 LEU 117 lone 2 36 - 7 - H THR 33 - QD1 LEU 117 lone 2 44 - 3 - Peak 3248 from cnoeabs.peaks (4.06, 0.94, 23.76 ppm; 3.04 A): 9 out of 27 assignments used, quality = 0.91: * HA LEU 55 + QD1 LEU 55 OK 67 100 - 67 - 4.0=44, 3.0/3247=8...(14) HA SER 44 + QG2 VAL 49 OK 31 84 - 38 - 6836/3.2=11, ~6820=6...(8) HA SER 112 + QD1 LEU 55 OK 16 100 - 17 - 7919=3, 3255/2.1=2...(6) HA LYS 31 + QD1 LEU 55 OK 16 68 - 24 - 3.0/3250=3, 2398/2.1=2...(12) HA LEU 55 + QG2 VAL 49 OK 13 90 - 15 - 3224=3, 3.0/3247=2...(6) HA VAL 120 + QD1 LEU 117 OK 11 34 - 32 - 5284/2.1=5, ~1395=3...(18) HA LEU 55 + QD1 LEU 117 OK 11 61 - 18 - 7009/2.1=5, 3224=3...(5) HD3 PRO 37 + QG2 VAL 49 OK 11 81 - 13 - 2.3/3044=2, 2660/2.1=1...(4) HA VAL 120 + QD1 LEU 55 OK 10 68 - 15 - 3.0/8499=2, ~8297=1...(5) HA SER 44 - QD1 LEU 55 lone 9 97 - 9 - 6827=1, 3.0/6829=1 HA LYS 109 - QD1 LEU 55 lone 8 100 - 8 - 4883/2.1=1 HD3 PRO 37 - QD1 LEU 55 lone 8 95 - 9 - 251/4.8=1 HD3 PRO 37 - QD1 LEU 117 poor 7 53 - 13 - 2.3/6909=1 HA TYR 102 - QD1 LEU 55 lone 4 97 - 4 - HA LYS 109 - QD1 LEU 117 lone 3 60 - 6 - HA SER 112 - QG2 VAL 49 lone 3 90 - 3 - HA SER 44 - QD1 LEU 117 lone 2 55 - 4 - HA SER 112 - QD1 LEU 117 lone 2 61 - 4 - HA GLN 16 - QD1 LEU 55 lone 2 73 - 2 - HA VAL 120 - QG2 VAL 49 lone 1 55 - 3 - HA LYS 109 - QG2 VAL 49 lone 1 89 - 1 - HA TYR 102 - QG2 VAL 49 lone 1 85 - 1 - HA GLN 16 - QG2 VAL 49 lone 1 60 - 1 - HA LYS 31 - QG2 VAL 49 lone 1 55 - 1 - HA LYS 31 - QD1 LEU 117 lone 1 34 - 2 - HA TYR 102 - QD1 LEU 117 lone 1 56 - 1 - HA GLN 16 - QD1 LEU 117 lone 0 38 - 1 - Peak 3249 from cnoeabs.peaks (2.00, 0.94, 23.76 ppm; 3.69 A): 2 out of 42 assignments used, quality = 1.00: * HB2 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 3.1=100 HB3 PRO 68 + QD1 LEU 55 OK 46 87 - 53 - 3742/2.1=6, 3256/2.1=4...(33) HG2 PRO 68 - QD1 LEU 55 OK 38 81 - 48 - 3749/2.1=4, 1.8/3245=4...(26) HB3 PRO 68 - QG2 VAL 49 OK 22 73 - 31 - ~7226=6, 8492/2.1=5...(10) HB3 ARG 53 - QD1 LEU 55 OK 22 78 - 28 - 1026/4.6=3, 1.8/3250=2...(13) HB2 LEU 41 - QD1 LEU 55 OK 21 87 - 25 - 3256/2.1=2, 1.8/2797=2...(11) HB2 LEU 41 - QG2 VAL 49 OK 21 73 - 29 - 8492/2.1=4, ~6903=3...(15) HB2 LEU 55 - QG2 VAL 49 OK 21 90 - 23 - 8492/2.1=4, 1.8/3250=2...(10) HG LEU 114 - QD1 LEU 55 OK 19 81 - 24 - 5082/2.1=2, 2.1/3253=2...(13) HB3 ARG 53 - QG2 VAL 49 OK 17 65 - 26 - 8492/2.1=8, ~6903=4...(7) HG2 PRO 68 - QG2 VAL 49 OK 16 67 - 25 - ~7226=5, 5692/4.0=4...(9) HG2 PRO 60 - QD1 LEU 55 OK 16 99 - 17 - 252/4.8=3, 1026/4.6=2...(7) HG LEU 114 - QD1 LEU 117 OK 16 42 - 38 - ~7960=11, ~8012=6...(13) HB2 LEU 55 - QD1 LEU 117 OK 15 61 - 24 - ~7009=4, ~8297=2...(12) HB ILE 124 - QD1 LEU 55 OK 14 87 - 16 - 3256/2.1=1, 5344=1, ~7017=1 HB2 LYS 46 - QD1 LEU 55 OK 12 100 - 12 - 3221/4.0=1, 3256/2.1=1 HG2 PRO 60 - QG2 VAL 49 lone 8 87 - 10 - 8492/2.1=2, ~7091=1, ~7089=1 HB3 PRO 68 - QD1 LEU 117 poor 8 47 - 17 - ~5168=2, 3.9/7240=2...(9) HB2 GLU 94 - QD1 LEU 55 lone 7 100 - 7 - HB2 ARG 71 - QD1 LEU 55 lone 6 65 - 9 - 1.8/3250=1 HG2 PRO 68 - QD1 LEU 117 poor 6 42 - 14 - ~5168=2, ~8297=2...(6) HB2 LYS 46 - QG2 VAL 49 lone 5 89 - 6 - 4.4/6870=2 HB ILE 124 - QG2 VAL 49 lone 5 73 - 6 - 8492/2.1=1 HB2 LYS 46 - QD1 LEU 117 lone 4 60 - 7 - HB2 MET 11 - QD1 LEU 55 lone 3 92 - 3 - HB3 GLN 103 - QD1 LEU 55 lone 3 87 - 4 - HG LEU 45 - QD1 LEU 55 lone 3 60 - 5 - HB2 LEU 41 - QD1 LEU 117 lone 3 47 - 6 - HB3 ARG 53 - QD1 LEU 117 lone 2 41 - 6 - HB2 GLU 94 - QG2 VAL 49 lone 2 89 - 2 - HB2 GLU 94 - QD1 LEU 117 lone 2 60 - 3 - HG LEU 45 - QG2 VAL 49 lone 2 48 - 4 - HB2 MET 11 - QG2 VAL 49 lone 2 78 - 3 - HG2 PRO 60 - QD1 LEU 117 lone 2 58 - 3 - HG LEU 114 - QG2 VAL 49 lone 2 67 - 3 - HG LEU 45 - QD1 LEU 117 lone 2 30 - 6 - HB2 MET 11 - QD1 LEU 117 lone 1 51 - 2 - HB ILE 124 - QD1 LEU 117 lone 1 47 - 3 - HB3 GLN 103 - QD1 LEU 117 lone 1 47 - 3 - HB3 GLN 103 - QG2 VAL 49 lone 1 73 - 1 - HB2 ARG 71 - QG2 VAL 49 lone 1 53 - 2 - HB2 ARG 71 - QD1 LEU 117 lone 1 33 - 2 - Peak 3250 from cnoeabs.peaks (1.72, 0.94, 23.76 ppm; 3.36 A): 1 out of 21 assignments used, quality = 1.00: * HB3 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 3.1=100 HB2 LYS 31 - QD1 LEU 55 OK 41 99 - 41 - 3257/2.1=5, 2408/2.1=4...(20) HB3 LEU 77 - QD1 LEU 55 OK 40 99 - 40 - 3257/2.1=5, 3229/3.1=4...(21) HB2 ARG 53 - QD1 LEU 55 OK 17 73 - 24 - 3257/2.1=3, 1027/4.6=2...(9) HB3 LEU 55 - QG2 VAL 49 OK 16 90 - 18 - ~8492=3, 3.0/3224=2...(8) HB2 ARG 53 - QG2 VAL 49 OK 12 60 - 20 - ~8492=5, ~6903=4...(6) HB3 LEU 55 - QD1 LEU 117 OK 12 61 - 19 - ~7009=3, ~8297=2...(6) HB2 LEU 91 - QD1 LEU 117 OK 11 48 - 24 - ~8369=4, ~8365=3...(9) HB2 LEU 91 - QD1 LEU 55 poor 10 89 - 11 - 3257/2.1=1, 3222/4.0=1 HB3 ARG 71 - QD1 LEU 55 lone 8 97 - 8 - 3257/2.1=1 HG2 ARG 71 - QD1 LEU 55 lone 5 68 - 7 - HB3 LEU 77 - QG2 VAL 49 lone 3 87 - 4 - HB2 LYS 31 - QG2 VAL 49 lone 2 87 - 2 - HB2 ARG 53 - QD1 LEU 117 lone 2 38 - 4 - HB2 LEU 91 - QG2 VAL 49 lone 1 75 - 2 - HB2 LYS 31 - QD1 LEU 117 lone 1 59 - 2 - HB3 LEU 77 - QD1 LEU 117 lone 1 59 - 2 - HB3 ARG 71 - QG2 VAL 49 lone 1 84 - 1 - HB3 ARG 71 - QD1 LEU 117 lone 1 55 - 2 - HG2 ARG 71 - QG2 VAL 49 lone 1 55 - 1 - HG2 ARG 71 - QD1 LEU 117 lone 1 34 - 2 - Peak 3251 from cnoeabs.peaks (1.88, 0.94, 23.76 ppm; 3.02 A): 1 out of 45 assignments used, quality = 1.00: * HG LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 2.1=100 HB3 LYS 31 - QD1 LEU 55 OK 35 100 - 36 - 1.8/3250=4, 2417/3.1=4...(14) HB VAL 50 - QG2 VAL 49 OK 34 90 - 38 - ~8493=6, 995/4.3=6...(12) HG3 PRO 68 - QD1 LEU 55 OK 33 93 - 36 - 3245=3, 3246/2.1=3...(24) HB ILE 22 - QD1 LEU 55 OK 25 71 - 35 - 2152/2.1=3, 2150=3...(16) HB VAL 50 - QD1 LEU 55 OK 19 100 - 19 - ~7015=2, ~8297=2...(10) HG LEU 55 - QG2 VAL 49 OK 16 90 - 17 - 995/4.3=1, 3245=1...(6) HB3 GLU 28 - QD1 LEU 55 OK 15 93 - 16 - 1.8/6564=2, 2318/2.1=1...(4) HB2 LEU 58 - QD1 LEU 55 OK 14 96 - 15 - 7057/4.0=2, 7056/2.1=2...(5) HG3 PRO 68 - QG2 VAL 49 OK 14 80 - 18 - ~7226=3, 5693/4.0=2...(7) HB2 GLU 28 - QD1 LEU 55 OK 13 83 - 15 - 6564=2, 2313/2.1=1, 3.0/6562=1 HB2 ARG 92 - QD1 LEU 55 OK 13 99 - 13 - 4.2/7003=3, 5.1/7003=1 HB2 LYS 119 - QD1 LEU 55 OK 12 100 - 12 - 4.0/7018=1, 4.7/8499=1 HB VAL 50 - QD1 LEU 117 OK 11 61 - 18 - 3056/2.1=4, 2.1/6922=2...(10) HG LEU 55 - QD1 LEU 117 OK 11 61 - 17 - 8297/2.1=3, ~8554=1...(5) HB3 LYS 109 - QD1 LEU 55 lone 8 87 - 9 - 4901/4.0=1 HB2 LYS 119 - QD1 LEU 117 poor 7 61 - 11 - 8032/2.1=3, 5915/4.6=3...(4) HG LEU 84 - QD1 LEU 55 lone 5 100 - 5 - HG3 PRO 68 - QD1 LEU 117 lone 5 52 - 10 - 8297/2.1=1, ~5168=1 HB2 LEU 58 - QD1 LEU 117 lone 5 54 - 9 - 5646/4.6=2, ~8011=1, ~7061=1 HB3 GLU 28 - QD1 LEU 117 lone 4 52 - 8 - 1.8/6564=1, 3.8/104=1 HB ILE 22 - QG2 VAL 49 lone 4 58 - 6 - HB2 ARG 81 - QD1 LEU 55 lone 3 73 - 5 - HB2 LEU 84 - QD1 LEU 55 lone 3 85 - 4 - HB2 GLU 28 - QD1 LEU 117 lone 3 44 - 7 - 3.8/104=1 HB3 LYS 109 - QD1 LEU 117 lone 3 47 - 6 - HB3 GLU 73 - QG2 VAL 49 lone 3 53 - 5 - HB ILE 22 - QD1 LEU 117 lone 3 36 - 7 - HB2 ARG 81 - QD1 LEU 117 lone 3 38 - 7 - ~5166=1 HB2 ARG 92 - QG2 VAL 49 lone 2 87 - 3 - HB3 GLU 28 - QG2 VAL 49 lone 2 80 - 3 - HB2 LYS 119 - QG2 VAL 49 lone 2 90 - 2 - HB2 LEU 58 - QG2 VAL 49 lone 2 82 - 3 - HG LEU 84 - QD1 LEU 117 lone 2 60 - 4 - 7492/3.8=1 HB3 LYS 31 - QG2 VAL 49 lone 2 90 - 2 - HB2 GLU 28 - QG2 VAL 49 lone 2 69 - 3 - HB2 ARG 81 - QG2 VAL 49 lone 2 60 - 3 - HB2 ARG 92 - QD1 LEU 117 lone 2 58 - 3 - 4.2/7003=2 HB3 GLU 73 - QD1 LEU 55 lone 2 65 - 3 - HG LEU 84 - QG2 VAL 49 lone 2 89 - 2 - HB3 LYS 31 - QD1 LEU 117 lone 1 61 - 2 - HB2 LEU 84 - QD1 LEU 117 lone 1 45 - 3 - 6135/3.8=1 HB3 LYS 109 - QG2 VAL 49 lone 1 73 - 1 - HB2 LEU 84 - QG2 VAL 49 lone 1 71 - 1 - HB3 GLU 73 - QD1 LEU 117 lone 0 33 - 1 - Peak 3252 from cnoeabs.peaks (0.94, 0.94, 23.76 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + QD1 LEU 55 OK 100 100 - 100 QG2 VAL 49 + QG2 VAL 49 OK 78 78 - 100 QD1 LEU 117 - QD1 LEU 117 OK 34 34 - 100 Peak 3253 from cnoeabs.peaks (0.85, 0.94, 23.76 ppm; 2.40 A): 1 out of 27 assignments used, quality = 1.00: * QD2 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 2.1=100 HG13 ILE 22 - QD1 LEU 55 OK 20 97 - 21 - 2.1/2178=2, 2171=2...(9) QG1 VAL 115 - QD1 LEU 55 OK 15 87 - 18 - 5112=3, 2.1/5107=2...(6) QD1 LEU 59 - QD1 LEU 55 OK 14 99 - 14 - 3259=2, 3246/2.1=1 QD2 LEU 114 - QD1 LEU 117 OK 13 60 - 21 - 7960/2.1=8, 7958/3.1=3...(5) QD2 LEU 114 - QD1 LEU 55 OK 12 100 - 12 - 3232/3.1=1, 3225/4.0=1 QD1 LEU 59 - QD1 LEU 117 poor 9 59 - 15 - 8554/2.1=2, 7084/2.1=2...(6) QD2 LEU 55 - QG2 VAL 49 lone 9 90 - 9 - 3259=1 QD1 LEU 93 - QD1 LEU 55 lone 8 85 - 9 - 4.7/7003=2 QD1 LEU 93 - QD1 LEU 117 poor 8 45 - 17 - 8378/2.1=4, 7607/3.8=3...(4) QD2 LEU 55 - QD1 LEU 117 poor 7 61 - 12 - 8554/2.1=2, 3259=1, 8007/3.1=1 QD2 LEU 126 - QG2 VAL 49 poor 7 60 - 12 - 5422=2 HG13 ILE 80 - QG2 VAL 49 lone 5 67 - 7 - QG1 VAL 115 - QD1 LEU 117 lone 4 47 - 9 - 5112=2, 8554/2.1=1 HG13 ILE 22 - QD1 LEU 117 lone 3 56 - 5 - HG13 ILE 80 - QD1 LEU 55 lone 3 81 - 4 - HB2 ASN 118 - QD1 LEU 55 lone 3 68 - 4 - QD2 LEU 126 - QD1 LEU 55 lone 3 73 - 4 - HB2 ASN 118 - QD1 LEU 117 lone 3 34 - 8 - 8554/2.1=1, ~8022=1...(4) QD1 LEU 59 - QG2 VAL 49 lone 3 88 - 3 - HG13 ILE 22 - QG2 VAL 49 lone 3 85 - 3 - QG1 VAL 115 - QG2 VAL 49 lone 2 73 - 3 - QD2 LEU 114 - QG2 VAL 49 lone 1 89 - 2 - QD1 LEU 93 - QG2 VAL 49 lone 1 71 - 2 - QD2 LEU 126 - QD1 LEU 117 lone 1 38 - 3 - HB2 ASN 118 - QG2 VAL 49 lone 1 55 - 1 - HG13 ILE 80 - QD1 LEU 117 lone 0 42 - 1 - Peak 3254 from cnoeabs.peaks (8.12, 0.85, 26.09 ppm; 4.68 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 4.6=100 HD22 ASN 79 - QD2 LEU 55 OK 35 93 - 38 - 3247/2.1=6, 3226/3.1=6...(8) H GLY 39 - QD2 LEU 55 OK 16 71 - 23 - 3247/2.1=3, 3226/3.1=2...(11) H LEU 55 - QD1 LEU 59 OK 16 59 - 27 - 1030=4, 3.0/3225=4...(8) H THR 33 - QD2 LEU 55 OK 16 83 - 19 - 3219/4.0=3, 3233/3.1=3...(6) HD22 ASN 79 - QD1 LEU 59 lone 2 50 - 4 - H THR 33 - QD1 LEU 59 lone 1 42 - 3 - H GLY 39 - QD1 LEU 59 lone 1 35 - 4 - Peak 3255 from cnoeabs.peaks (4.06, 0.85, 26.09 ppm; 4.31 A): 1 out of 18 assignments used, quality = 1.00: * HA LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 4.0=100 HA SER 112 - QD2 LEU 55 OK 31 100 - 31 - 7919/2.1=5, 3241/2.1=3...(13) HA LYS 31 - QD2 LEU 55 OK 30 68 - 45 - 3.0/3257=6, 2397/3.1=4...(20) HA LEU 55 - QD1 LEU 59 OK 21 59 - 36 - 6999/4.6=8, 3225=5...(9) HA VAL 120 - QD2 LEU 55 OK 20 68 - 29 - 3.0/8062=3, ~8297=3...(14) HD3 PRO 37 - QD2 LEU 55 OK 17 95 - 18 - 251/4.8=3, 3.6/7017=2...(7) HA LYS 109 - QD2 LEU 55 OK 17 100 - 17 - 3241/2.1=2, 3227/3.1=2...(6) HA SER 44 - QD2 LEU 55 OK 15 97 - 15 - 6827/2.1=2, 3241/2.1=2...(7) HA VAL 120 - QD1 LEU 59 OK 12 33 - 36 - 7071/4.6=5, ~3410=4...(16) HA LYS 31 - QD1 LEU 59 poor 10 33 - 30 - ~8414=3, 7071/4.6=3...(13) HA TYR 102 - QD2 LEU 55 lone 8 97 - 8 - 7747/3.1=1 HA LYS 109 - QD1 LEU 59 lone 4 58 - 8 - 7071/4.6=3 HA SER 112 - QD1 LEU 59 lone 4 59 - 7 - 7071/4.6=1 HA GLN 16 - QD2 LEU 55 lone 4 73 - 5 - HA TYR 102 - QD1 LEU 59 lone 2 54 - 4 - HD3 PRO 37 - QD1 LEU 59 lone 2 51 - 4 - 7071/4.6=1 HA SER 44 - QD1 LEU 59 lone 2 54 - 4 - HA GLN 16 - QD1 LEU 59 lone 1 36 - 2 - Peak 3256 from cnoeabs.peaks (2.00, 0.85, 26.09 ppm; 3.63 A): 2 out of 28 assignments used, quality = 1.00: * HB2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 3.1=100 HB3 PRO 68 + QD2 LEU 55 OK 46 87 - 53 - 3742/2.1=6, 3.0/7013=4...(32) HG2 PRO 68 - QD2 LEU 55 OK 40 81 - 50 - 5082=4, 2.3/7013=4...(27) HB3 ARG 53 - QD2 LEU 55 OK 27 78 - 34 - 1.8/3257=3, 4.7/7004=3...(17) HG LEU 114 - QD2 LEU 55 OK 23 81 - 29 - 5082=3, 3.0/5075=3...(16) HB2 LEU 41 - QD2 LEU 55 OK 21 87 - 24 - 4.1/8498=2, 3232=2...(9) HB2 LEU 55 - QD1 LEU 59 OK 19 59 - 32 - 3232=4, 1.8/3239=3...(15) HG2 PRO 60 - QD1 LEU 59 OK 16 56 - 29 - ~8645=8, ~7091=6...(6) HG2 PRO 60 - QD2 LEU 55 OK 15 99 - 15 - 252/4.8=2, 1026/4.6=2...(6) HB ILE 124 - QD2 LEU 55 OK 13 87 - 15 - 3.0/7017=2, 5344/2.1=1 HB2 LYS 46 - QD2 LEU 55 OK 12 100 - 12 - 3221/4.0=1 HB2 GLU 94 - QD2 LEU 55 lone 10 100 - 10 - 4.0/8498=2, 3.0/7016=1 HB ILE 124 - QD1 LEU 59 poor 9 45 - 20 - 5347/2.1=3, 8114/3.2=2...(11) HG LEU 114 - QD1 LEU 59 poor 8 41 - 19 - 5082=2, 3.0/5075=2...(8) HB2 LYS 46 - QD1 LEU 59 lone 6 59 - 10 - 8596/4.6=1, ~3413=1 HB2 ARG 71 - QD2 LEU 55 lone 6 65 - 8 - 1.8/3257=1 HB2 LEU 41 - QD1 LEU 59 lone 5 45 - 10 - 2789/2.1=1 HB3 GLN 103 - QD2 LEU 55 lone 3 87 - 3 - HB3 PRO 68 - QD1 LEU 59 lone 3 45 - 6 - HB2 MET 11 - QD2 LEU 55 lone 3 92 - 3 - HG LEU 45 - QD2 LEU 55 lone 3 60 - 4 - HG2 PRO 68 - QD1 LEU 59 lone 2 41 - 6 - HB3 ARG 53 - QD1 LEU 59 lone 2 39 - 6 - HB2 GLU 94 - QD1 LEU 59 lone 1 59 - 2 - HB2 MET 11 - QD1 LEU 59 lone 1 49 - 3 - HG LEU 45 - QD1 LEU 59 lone 1 29 - 2 - HB3 GLN 103 - QD1 LEU 59 lone 0 45 - 1 - HB2 ARG 71 - QD1 LEU 59 lone 0 32 - 1 - Peak 3257 from cnoeabs.peaks (1.72, 0.85, 26.09 ppm; 3.59 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 3.1=100 HB2 LYS 31 - QD2 LEU 55 OK 45 99 - 45 - 3250/2.1=5, 3243/2.1=5...(20) HB3 LEU 77 - QD2 LEU 55 OK 45 99 - 45 - 3239=5, 3250/2.1=5...(21) HB2 ARG 53 - QD2 LEU 55 OK 25 73 - 35 - 4.7/7004=3, 4.0/8498=3...(15) HB3 LEU 55 - QD1 LEU 59 OK 18 59 - 30 - 3239=4, 1.8/3232=3...(14) HB2 LYS 31 - QD1 LEU 59 OK 17 57 - 31 - ~8414=3, 2409/3.2=3...(13) HB2 LEU 91 - QD2 LEU 55 OK 12 89 - 13 - 4.0/7020=1, 3222/4.0=1...(5) HB3 ARG 71 - QD2 LEU 55 lone 10 97 - 10 - 3250/2.1=1, 3243/2.1=1 HG2 ARG 71 - QD2 LEU 55 lone 6 68 - 8 - HB2 LEU 91 - QD1 LEU 59 poor 5 47 - 12 - HB2 ARG 53 - QD1 LEU 59 lone 2 36 - 5 - HB3 LEU 77 - QD1 LEU 59 lone 2 57 - 3 - HB3 ARG 71 - QD1 LEU 59 lone 1 54 - 1 - HG2 ARG 71 - QD1 LEU 59 lone 0 33 - 1 - Peak 3258 from cnoeabs.peaks (1.88, 0.85, 26.09 ppm; 3.30 A): 1 out of 30 assignments used, quality = 1.00: * HG LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 2.1=100 HB3 LYS 31 - QD2 LEU 55 OK 41 100 - 41 - 1.8/3257=5, 2417/3.1=5...(19) HG3 PRO 68 - QD2 LEU 55 OK 40 93 - 43 - 3246=4, 2.3/7013=4...(24) HB ILE 22 - QD2 LEU 55 OK 32 71 - 46 - 2.1/2159=7, 2152=5...(21) HB VAL 50 - QD2 LEU 55 OK 23 100 - 23 - 3.0/7015=5, ~8297=2...(11) HB2 LEU 58 - QD2 LEU 55 OK 18 96 - 19 - 7057/4.0=3, 7056=2...(7) HG LEU 55 - QD1 LEU 59 OK 17 59 - 29 - 3246=3, 8414/2.1=2...(15) HB3 GLU 28 - QD2 LEU 55 OK 16 93 - 17 - 3.0/7017=2, ~6564=2...(5) HB2 LYS 119 - QD2 LEU 55 OK 15 100 - 15 - 4.0/5632=1, 3223/4.0=1...(4) HB3 LYS 31 - QD1 LEU 59 OK 15 59 - 26 - 2419/3.2=3, 8414/2.1=3...(8) HB2 LYS 119 - QD1 LEU 59 OK 15 59 - 25 - 5915/4.6=3, 8414/2.1=3...(9) HB2 GLU 28 - QD2 LEU 55 OK 14 83 - 17 - 3.0/7017=2, 6564/2.1=2 HB2 ARG 92 - QD2 LEU 55 OK 13 99 - 14 - 5.1/7004=2, 4.2/1236=1 HB2 LEU 58 - QD1 LEU 59 OK 11 53 - 21 - 5646/4.6=5, 8304/2.1=3...(6) HB ILE 22 - QD1 LEU 59 poor 9 35 - 27 - 2.1/2159=4, 2152=3...(13) HB3 LYS 109 - QD2 LEU 55 poor 9 87 - 10 - 4901/4.0=1, 2.9/3255=1 HG LEU 84 - QD2 LEU 55 lone 7 100 - 7 - HB2 LEU 84 - QD2 LEU 55 lone 4 85 - 5 - HB2 ARG 81 - QD2 LEU 55 lone 4 73 - 5 - HB VAL 50 - QD1 LEU 59 lone 3 59 - 5 - HG3 PRO 68 - QD1 LEU 59 lone 3 50 - 5 - HB3 GLU 73 - QD2 LEU 55 lone 2 65 - 3 - HG LEU 84 - QD1 LEU 59 lone 2 58 - 4 - HB2 ARG 92 - QD1 LEU 59 lone 2 56 - 3 - HB3 LYS 109 - QD1 LEU 59 lone 2 45 - 4 - 273/4.6=1 HB3 GLU 28 - QD1 LEU 59 lone 1 50 - 3 - HB2 GLU 28 - QD1 LEU 59 lone 1 42 - 3 - HB2 LEU 84 - QD1 LEU 59 lone 1 44 - 3 - HB2 ARG 81 - QD1 LEU 59 lone 1 36 - 2 - HB3 GLU 73 - QD1 LEU 59 lone 1 32 - 2 - Peak 3259 from cnoeabs.peaks (0.94, 0.85, 26.09 ppm; 2.58 A): 1 out of 24 assignments used, quality = 1.00: * QD1 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 2.1=100 QG2 ILE 22 - QD2 LEU 55 OK 31 97 - 33 - 2159=7, 2.1/2152=3...(11) QG2 VAL 115 - QD2 LEU 55 OK 21 97 - 21 - 5116=3, 8168/3.1=2...(7) QD1 ILE 63 - QD2 LEU 55 OK 20 99 - 20 - 8310/3.1=3, 8309/3.1=2...(7) QD2 LEU 27 - QD2 LEU 55 OK 14 96 - 14 - 2.1/8619=1 QD1 LEU 27 - QD2 LEU 55 OK 13 98 - 13 - 2.1/8619=1 QD1 LEU 55 - QD1 LEU 59 OK 11 59 - 19 - 3253=3, 2.1/3246=1...(8) QD1 LEU 41 - QD2 LEU 55 OK 11 100 - 11 - QG2 VAL 49 - QD2 LEU 55 OK 10 92 - 11 - 3253=2 QD1 LEU 117 - QD2 LEU 55 poor 9 68 - 14 - 2.1/8554=2, 3253=1...(5) QG2 ILE 22 - QD1 LEU 59 poor 9 54 - 17 - 2159=4, 2.1/2152=2...(6) QD1 LEU 27 - QD1 LEU 59 poor 8 55 - 15 - 2.1/8619=2, 3.1/8482=1...(7) QD2 LEU 27 - QD1 LEU 59 poor 7 53 - 14 - 2.1/8619=2, 2299/2.1=2...(5) QD1 LEU 117 - QD1 LEU 59 poor 6 33 - 17 - 2.1/8554=3, 3.1/8007=2...(6) QG2 ILE 124 - QD2 LEU 55 lone 6 76 - 7 - QD1 LEU 126 - QD1 LEU 59 poor 5 32 - 15 - 5416/2.1=2, ~3416=1...(5) QD1 LEU 41 - QD1 LEU 59 lone 3 59 - 6 - QG2 ILE 124 - QD1 LEU 59 lone 3 38 - 9 - QD1 LEU 126 - QD2 LEU 55 lone 3 65 - 5 - QG2 VAL 115 - QD1 LEU 59 lone 3 54 - 6 - 5116=1 QD1 ILE 63 - QD1 LEU 59 lone 2 57 - 4 - 7149/7117=1 HB2 GLN 42 - QD2 LEU 55 lone 2 87 - 2 - QG2 VAL 49 - QD1 LEU 59 lone 2 49 - 4 - HB2 GLN 42 - QD1 LEU 59 lone 1 45 - 2 - Peak 3260 from cnoeabs.peaks (0.85, 0.85, 26.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 QD1 LEU 59 + QD1 LEU 59 OK 57 57 - 100 Peak 3261 from cnoeabs.peaks (7.62, 4.17, 57.27 ppm; 3.49 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 56 + HA GLU 56 OK 100 100 - 100 - 2.9=100 H ARG 57 + HA GLU 56 OK 60 63 - 95 - 3.6=94, 3273/3.0=6...(6) HD21 ASN 12 - HA GLU 56 OK 13 100 - 13 - 3279/4.0=3, 3285/4.0=3...(4) H LYS 119 - HA GLU 56 poor 8 71 - 11 - 4.6/8300=3, ~6267=1, 7081/7070=1 H ALA 122 - HA GLU 56 lone 2 57 - 3 - Peak 3262 from cnoeabs.peaks (4.17, 4.17, 57.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 56 + HA GLU 56 OK 100 100 - 100 Peak 3263 from cnoeabs.peaks (2.04, 4.17, 57.27 ppm; 3.53 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 56 + HA GLU 56 OK 100 100 - 100 - 3.0=100 HG3 PRO 60 + HA GLU 56 OK 61 99 - 62 - 3.8/7024=11, 2.3/3266=8...(28) HB3 ARG 53 - HA GLU 56 OK 39 85 - 46 - ~6065=6, 1033/2.9=4...(21) HB3 ARG 81 - HA GLU 56 OK 38 96 - 39 - 1.8/6114=7, 4.3/8302=4...(16) HB ILE 63 - HA GLU 56 OK 37 73 - 51 - 4.0/8302=6, 3.2/7029=5...(18) HG3 PRO 37 - HA GLU 56 OK 36 97 - 37 - 2.3/3264=4, 3275/3.0=3...(21) HG3 PRO 70 - HA GLU 56 OK 34 100 - 34 - 3.8/7024=5, 2.3/8322=4...(16) HB3 GLU 38 - HA GLU 56 OK 13 83 - 15 - 259/3.6=2, 3.0/3265=1...(4) Peak 3264 from cnoeabs.peaks (1.79, 4.17, 57.27 ppm; 3.65 A): 2 out of 13 assignments used, quality = 1.00: * HB3 GLU 56 + HA GLU 56 OK 100 100 - 100 - 3.0=100 HB2 PRO 60 + HA GLU 56 OK 69 97 - 71 - 2.3/7024=18, 4.2/8301=15...(29) HB2 PRO 37 - HA GLU 56 OK 42 99 - 42 - 2.3/3263=3, 1034/2.9=3...(26) HG13 ILE 63 - HA GLU 56 OK 33 63 - 53 - ~7133=7, 2.1/7029=6...(23) HB3 ARG 57 - HA GLU 56 OK 25 83 - 31 - 3307/3.6=8, 1034/2.9=2...(9) HB2 LEU 117 - HA GLU 56 OK 21 85 - 25 - 4.0/8300=4, 1.8/3265=3...(11) HB3 ARG 92 - HA GLU 56 OK 19 93 - 20 - 1.8/4423=3, 4431=2...(5) HB2 GLU 75 - HA GLU 56 lone 7 89 - 7 - HB2 LYS 32 - HA GLU 56 lone 5 99 - 5 - HG2 GLU 75 - HA GLU 56 lone 4 81 - 5 - HB3 GLN 105 - HA GLU 56 lone 2 68 - 3 - HG3 PRO 30 - HA GLU 56 lone 2 60 - 3 - HD3 LYS 109 - HA GLU 56 lone 1 65 - 2 - Peak 3265 from cnoeabs.peaks (2.25, 4.17, 57.27 ppm; 4.07 A): 3 out of 13 assignments used, quality = 1.00: * HG2 GLU 56 + HA GLU 56 OK 100 100 - 100 - 4.0=100 HB2 PRO 68 + HA GLU 56 OK 46 96 - 49 - 3731=5, 1.8/3738=5...(20) HB2 PRO 70 + HA GLU 56 OK 46 100 - 46 - 2.3/7024=10, 3.0/8322=6...(17) HB3 LEU 117 - HA GLU 56 OK 28 95 - 30 - 4.0/8300=6, 3277/3.0=3...(10) HG3 GLU 38 - HA GLU 56 OK 19 100 - 19 - 261/3.6=2, 3277/3.0=2...(8) HG2 GLU 38 - HA GLU 56 OK 19 99 - 19 - 261/3.6=2, 3277/3.0=2...(8) HG3 GLU 28 - HA GLU 56 OK 14 93 - 15 - 3.0/2311=2, 3.0/2317=2...(5) HG2 GLU 28 - HA GLU 56 OK 14 90 - 15 - 3.0/2311=2, 3.0/2317=2...(6) HG3 GLU 15 - HA GLU 56 lone 10 100 - 10 - 6322/3.0=2, ~6317=1 HB2 CYS 87 - HA GLU 56 lone 4 76 - 6 - 3.6/8299=2 HG2 GLU 94 - HA GLU 56 lone 4 99 - 4 - HG3 GLU 64 - HA GLU 56 lone 4 98 - 4 - HG3 GLU 94 - HA GLU 56 lone 3 76 - 3 - Peak 3266 from cnoeabs.peaks (2.31, 4.17, 57.27 ppm; 3.95 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 56 + HA GLU 56 OK 98 100 - 98 - 4.0=96, 3285/2.9=16...(16) HB3 PRO 60 + HA GLU 56 OK 77 100 - 77 - 2.3/7024=20, 4.2/8301=18...(31) HB2 LEU 54 - HA GLU 56 OK 26 92 - 29 - ~6071=7, 1036/2.9=5...(10) HB VAL 120 - HA GLU 56 OK 21 87 - 25 - 3.8/8300=5, ~8069=3...(10) HB3 GLU 82 - HA GLU 56 OK 13 73 - 18 - 3.7/8302=6, 3.0/7459=2...(4) HB2 GLU 82 - HA GLU 56 OK 13 73 - 18 - 3.7/8302=6, 3.0/7459=2...(4) HG2 GLN 16 - HA GLU 56 lone 7 97 - 8 - 4.9/8302=2, 262/3.6=1 Peak 3267 from cnoeabs.peaks (7.62, 2.04, 29.53 ppm; 3.50 A): 2 out of 20 assignments used, quality = 0.96: * H GLU 56 + HB2 GLU 56 OK 93 100 - 93 - 3.7=86, 3273/1.8=19...(8) H ARG 57 + HB2 GLU 56 OK 39 63 - 62 - 4.6=43, 3261/3.0=9...(8) H GLU 56 - HB3 ARG 53 OK 29 65 - 45 - 6065/3.0=14, 1634/4.4=9...(14) H GLU 56 - HB3 ARG 81 OK 21 94 - 23 - 1033=4, ~6114=3...(9) HD21 ASN 12 - HB2 GLU 56 OK 17 100 - 17 - 3279/3.0=4, 3285/3.0=4...(6) H ARG 57 - HB3 ARG 81 OK 12 54 - 23 - 259=3, 3.6/3263=2...(13) H ARG 57 - HB3 ARG 53 poor 7 33 - 21 - 6065/3.0=5, 1627/4.4=3...(8) H GLU 56 - HB3 GLU 38 poor 5 43 - 12 - 1033=2, 250/4.4=1...(5) H LYS 119 - HB3 ARG 81 lone 5 61 - 8 - 1788/3.0=3, 1383/1.8=1 H LYS 119 - HB2 GLU 56 lone 5 71 - 7 - 3261/3.0=1, 3273/1.8=1 H ARG 57 - HB3 GLU 38 poor 3 21 - 16 - 1639/3.0=3, 259=2...(5) HD21 ASN 12 - HB3 ARG 53 lone 2 63 - 3 - H LYS 119 - HB3 ARG 53 lone 2 39 - 4 - 1627/4.4=2, 6065/3.0=1 H ALA 122 - HB2 GLU 56 lone 1 57 - 2 - HD21 ASN 12 - HB3 GLU 38 lone 1 42 - 3 - ~6286=1 H ALA 122 - HB3 ARG 81 lone 1 49 - 2 - HD21 ASN 12 - HB3 ARG 81 lone 1 92 - 1 - H LYS 119 - HB3 GLU 38 lone 0 24 - 2 - H ALA 122 - HB3 ARG 53 lone 0 30 - 1 - H ALA 122 - HB3 GLU 38 lone 0 19 - 1 - Peak 3268 from cnoeabs.peaks (4.17, 2.04, 29.53 ppm; 3.96 A): 1 out of 44 assignments used, quality = 1.00: * HA GLU 56 + HB2 GLU 56 OK 100 100 - 100 - 3.0=100 HA GLU 56 - HB3 ARG 81 OK 44 94 - 47 - 6114/1.8=8, 8302/4.3=5...(18) HA GLU 56 - HB3 ARG 53 OK 36 65 - 55 - ~6065=8, 3263=5...(24) HA SER 78 - HB3 ARG 81 OK 31 94 - 33 - 8658/4.0=15, 6114/1.8=7...(7) HA PRO 68 - HB2 GLU 56 OK 28 87 - 32 - 3274/1.8=4, 1032/3.7=4...(14) HA PHE 83 - HB3 ARG 81 OK 27 71 - 38 - 6114/1.8=7, 1678/4.3=5...(13) HA PRO 37 - HB2 GLU 56 OK 26 68 - 38 - 3274/1.8=4, 2.3/3270=3...(18) HA3 GLY 61 - HB2 GLU 56 OK 25 71 - 35 - ~8301=12, 3.0/282=7...(10) HA ARG 92 - HB2 GLU 56 OK 16 89 - 18 - 4417/1.8=3, ~4425=2...(7) HA ARG 92 - HB3 ARG 53 OK 14 51 - 27 - 8430/3.0=4, 3.0/3156=3...(12) HA GLU 28 - HB2 GLU 56 OK 13 97 - 14 - 1032/3.7=2, 3274/1.8=2...(4) HA GLU 28 - HB3 ARG 81 OK 13 88 - 15 - 6114/1.8=4, 7437/4.0=2...(4) HA ARG 92 - HB3 ARG 81 poor 10 79 - 12 - 6114/1.8=2, 7437/4.0=1 HA GLU 56 - HB3 GLU 38 poor 9 43 - 20 - 3.6/259=2, 3263=2...(7) HA PRO 37 - HB3 GLU 38 poor 8 23 - 36 - 3.6/149=9, 2668=3...(14) HA SER 78 - HB2 GLU 56 lone 8 100 - 8 - 7449=1, 8658/4120=1 HB2 SER 113 - HB2 GLU 56 lone 8 90 - 8 - 5048/4.6=2, 3274/1.8=1 HA PRO 37 - HB3 ARG 53 poor 7 37 - 19 - ~8432=3, ~6068=3...(8) HA PHE 83 - HB2 GLU 56 lone 7 81 - 8 - 1032/3.7=1 HA PRO 37 - HB3 ARG 81 lone 5 59 - 9 - 6114/1.8=1 HA GLU 28 - HB3 GLU 38 poor 5 38 - 13 - ~6003=2, 2304/3.8=2...(4) HA ILE 124 - HB3 ARG 81 lone 5 54 - 9 - 8658/4.0=2, 6114/1.8=1 HA SER 78 - HB3 GLU 38 poor 4 43 - 11 - 4032/4.4=2, ~6009=2, 7449=2 HA ILE 124 - HB2 GLU 56 lone 4 63 - 6 - HA PRO 68 - HB3 ARG 53 lone 4 50 - 7 - HA3 GLY 61 - HB3 ARG 81 lone 4 61 - 6 - 3.6/7098=2, 3.0/282=1 HB2 SER 113 - HB3 ARG 81 lone 3 80 - 4 - HA ASN 108 - HB3 ARG 81 lone 3 59 - 5 - ~538=1 HA PRO 68 - HB3 ARG 81 lone 3 77 - 4 - HA PRO 68 - HB3 GLU 38 lone 2 32 - 6 - HA PHE 83 - HB3 ARG 53 lone 2 45 - 3 - 6147/4.0=1 HA ASN 108 - HB2 GLU 56 lone 1 68 - 2 - HA GLU 28 - HB3 ARG 53 lone 1 59 - 2 - HA3 GLY 61 - HB3 ARG 53 lone 1 39 - 3 - HB2 SER 113 - HB3 GLU 38 lone 1 34 - 2 - HA PHE 83 - HB3 GLU 38 lone 1 29 - 3 - HA SER 78 - HB3 ARG 53 lone 1 65 - 1 - HB2 SER 113 - HB3 ARG 53 lone 1 53 - 1 - HA ILE 124 - HB3 GLU 38 lone 1 21 - 3 - HA ARG 92 - HB3 GLU 38 lone 0 33 - 1 - HA ILE 124 - HB3 ARG 53 lone 0 33 - 1 - HA ASN 108 - HB3 ARG 53 lone 0 37 - 1 - HA ASN 108 - HB3 GLU 38 lone 0 23 - 2 - HA3 GLY 61 - HB3 GLU 38 lone 0 24 - 1 - Peak 3269 from cnoeabs.peaks (2.04, 2.04, 29.53 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 56 + HB2 GLU 56 OK 100 100 - 100 HB3 ARG 81 + HB3 ARG 81 OK 86 86 - 100 HB3 ARG 53 + HB3 ARG 53 OK 48 48 - 100 HB3 GLU 38 - HB3 GLU 38 OK 30 30 - 100 Peak 3270 from cnoeabs.peaks (1.79, 2.04, 29.53 ppm; 3.13 A): 2 out of 52 assignments used, quality = 1.00: * HB3 GLU 56 + HB2 GLU 56 OK 100 100 - 100 - 1.8=100 HB2 PRO 60 + HB2 GLU 56 OK 61 97 - 63 - 1.8/3463=6, 3456=5...(33) HB2 PRO 37 - HB2 GLU 56 OK 39 99 - 40 - 2.3/2689=3, 2675=3...(20) HB3 ARG 57 - HB3 ARG 81 OK 30 73 - 42 - ~4115=3, 3314/3.5=2...(25) HG13 ILE 63 - HB2 GLU 56 OK 25 63 - 40 - 7132/3.7=3, ~7026=3...(21) HB3 GLU 56 - HB3 ARG 81 OK 25 94 - 26 - 3275=3, ~6114=2...(11) HB3 GLU 56 - HB3 ARG 53 OK 21 65 - 33 - 6068/3.0=5, 3275=3...(17) HG13 ILE 63 - HB3 ARG 81 OK 18 54 - 34 - 2.1/3535=2, ~8647=2...(20) HB3 ARG 57 - HB2 GLU 56 OK 18 83 - 21 - 3.7/259=5, 3264/3.0=2...(7) HB2 LEU 117 - HB2 GLU 56 OK 17 85 - 20 - 5140/3.0=2, ~3277=1...(10) HB2 PRO 37 - HB3 GLU 38 OK 13 41 - 32 - 3.9/149=5, 6710/3.0=3...(13) HB2 PRO 37 - HB3 ARG 53 OK 12 63 - 18 - 6068/3.0=3, ~8432=2...(6) HG13 ILE 63 - HB3 ARG 53 OK 11 33 - 34 - ~8310=5, ~7138=3...(15) HB3 ARG 92 - HB2 GLU 56 OK 11 93 - 12 - ~4425=1, 4431/3.0=1, ~4423=1 HB3 ARG 92 - HB3 ARG 53 OK 10 55 - 19 - ~4425=2, 6068/3.0=1...(7) HB2 PRO 60 - HB3 ARG 53 poor 9 59 - 15 - 6068/3.0=2, ~3132=1...(4) HB2 LEU 117 - HB3 ARG 81 poor 8 75 - 10 - 5138/3.0=2, ~5145=1 HB3 ARG 57 - HB3 GLU 38 poor 7 30 - 23 - 6076/3.0=3, ~6074=2...(9) HB2 PRO 37 - HB3 ARG 81 lone 7 92 - 7 - HB2 GLU 75 - HB2 GLU 56 lone 6 89 - 7 - HB3 GLU 56 - HB3 GLU 38 poor 6 43 - 15 - 3275=1, 6710/3.0=1...(5) HB2 PRO 60 - HB3 ARG 81 lone 6 88 - 7 - HB3 ARG 57 - HB3 ARG 53 poor 5 47 - 12 - 3.7/259=2, 6068/3.0=2 HB3 ARG 92 - HB3 ARG 81 lone 5 84 - 6 - HG2 GLU 75 - HB2 GLU 56 lone 4 81 - 5 - HB2 PRO 60 - HB3 GLU 38 poor 4 38 - 11 - 146/3.8=1, 6710/3.0=1, ~6005=1 HB2 LYS 32 - HB2 GLU 56 lone 4 99 - 4 - HG3 PRO 30 - HB3 GLU 38 poor 4 20 - 18 - ~2372=2, ~2386=2...(12) HB2 GLU 75 - HB3 GLU 38 lone 3 33 - 9 - ~6707=2, 146/3.8=2 HG13 ILE 63 - HB3 GLU 38 poor 3 21 - 14 - ~6715=1, ~6709=1...(5) HB2 LEU 117 - HB3 GLU 38 lone 2 31 - 8 - HB2 LEU 117 - HB3 ARG 53 lone 2 48 - 4 - HB2 GLU 75 - HB3 ARG 81 lone 2 79 - 2 - HB2 LYS 32 - HB3 ARG 53 lone 2 63 - 3 - HG3 PRO 30 - HB3 ARG 53 lone 2 32 - 5 - HB2 LYS 32 - HB3 GLU 38 lone 2 41 - 4 - HG2 GLU 75 - HB3 GLU 38 lone 2 29 - 5 - HB2 GLU 75 - HB3 ARG 53 lone 1 51 - 3 - HG2 GLU 75 - HB3 ARG 81 lone 1 71 - 2 - HB3 GLN 105 - HB3 ARG 81 lone 1 59 - 2 - HG2 GLU 75 - HB3 ARG 53 lone 1 45 - 2 - HG3 PRO 30 - HB2 GLU 56 lone 1 60 - 2 - HB3 GLN 105 - HB2 GLU 56 lone 1 68 - 1 - HD3 LYS 109 - HB2 GLU 56 lone 1 65 - 1 - HB2 LYS 32 - HB3 ARG 81 lone 1 92 - 1 - HB3 GLN 105 - HB3 GLU 38 lone 1 23 - 3 - HB3 GLN 105 - HB3 ARG 53 lone 1 37 - 1 - HG3 PRO 30 - HB3 ARG 81 lone 0 52 - 1 - HD3 LYS 109 - HB3 GLU 38 lone 0 22 - 2 - HD3 LYS 109 - HB3 ARG 53 lone 0 35 - 1 - HD3 LYS 109 - HB3 ARG 81 lone 0 56 - 1 - HB3 ARG 92 - HB3 GLU 38 lone 0 36 - 1 - Peak 3271 from cnoeabs.peaks (2.25, 2.04, 29.53 ppm; 3.13 A): 1 out of 52 assignments used, quality = 1.00: * HG2 GLU 56 + HB2 GLU 56 OK 100 100 - 100 - 3.0=100 HG3 GLU 38 - HB3 GLU 38 OK 42 42 - 100 - 3.0=100 HG2 GLU 38 - HB3 GLU 38 OK 41 41 - 100 - 3.0=100 HB2 PRO 70 - HB2 GLU 56 OK 38 100 - 38 - 3814=6, 1.8/3821=4...(18) HB2 PRO 68 - HB2 GLU 56 OK 28 96 - 30 - 3731/3.0=3, 3277/1.8=3...(15) HB3 LEU 117 - HB2 GLU 56 OK 19 95 - 20 - 3277/1.8=2, 3289/3.0=2...(10) HG2 GLU 56 - HB3 ARG 53 OK 16 65 - 24 - 3281=3, 1.8/3287=2...(12) HG2 GLU 56 - HB3 ARG 81 OK 15 94 - 16 - 3281=2, 1.8/3287=2...(5) HG3 GLU 38 - HB2 GLU 56 OK 13 100 - 13 - 3277/1.8=1, 3265/3.0=1 HG2 GLU 38 - HB2 GLU 56 OK 13 99 - 13 - 3277/1.8=1, 3265/3.0=1 HB3 LEU 117 - HB3 ARG 81 poor 9 85 - 10 - 5145/3.0=2, ~5138=1 HB2 PRO 70 - HB3 GLU 38 poor 8 43 - 20 - 3814=3, 1.8/3821=2...(8) HG3 GLU 28 - HB2 GLU 56 lone 7 93 - 8 - HB2 PRO 70 - HB3 ARG 53 poor 7 65 - 11 - 3814=1, 1.8/3821=1 HG2 GLU 28 - HB2 GLU 56 lone 7 90 - 7 - HB2 PRO 70 - HB3 ARG 81 lone 7 93 - 7 - 3814=1 HG3 GLU 15 - HB2 GLU 56 lone 6 100 - 6 - 6322/1.8=1 HG3 GLU 64 - HB3 GLU 38 poor 5 40 - 12 - 2710/1.8=1 HG2 GLU 56 - HB3 GLU 38 poor 5 43 - 11 - 3281=1, 1.8/3287=1 HG2 GLU 94 - HB3 GLU 38 poor 4 41 - 11 - 2704/3.0=1, 2710/1.8=1 HG3 GLU 38 - HB3 ARG 81 lone 4 92 - 4 - HG2 GLU 38 - HB3 ARG 81 lone 4 92 - 4 - HG3 GLU 28 - HB3 ARG 81 lone 4 84 - 4 - HG2 GLU 28 - HB3 ARG 81 lone 4 80 - 4 - HB2 PRO 68 - HB3 ARG 53 lone 4 58 - 6 - HG3 GLU 64 - HB3 ARG 81 lone 3 90 - 3 - HG3 GLU 15 - HB3 ARG 81 lone 3 92 - 3 - 5448/4.3=2 HG3 GLU 94 - HB3 GLU 38 poor 3 27 - 12 - 4539/1.8=1 HG3 GLU 64 - HB2 GLU 56 lone 3 98 - 3 - HB3 LEU 117 - HB3 GLU 38 lone 2 37 - 7 - HG2 GLU 94 - HB3 ARG 53 lone 2 62 - 4 - HG2 GLU 94 - HB2 GLU 56 lone 2 99 - 2 - HB3 LEU 117 - HB3 ARG 53 lone 2 57 - 4 - HG3 GLU 28 - HB3 GLU 38 lone 2 36 - 6 - HG2 GLU 28 - HB3 GLU 38 lone 2 34 - 6 - HB2 CYS 87 - HB2 GLU 56 lone 2 76 - 2 - HB2 PRO 68 - HB3 ARG 81 lone 2 86 - 2 - HG3 GLU 15 - HB3 GLU 38 lone 2 42 - 4 - HG3 GLU 38 - HB3 ARG 53 lone 2 63 - 3 - HG3 GLU 94 - HB3 ARG 53 lone 2 42 - 4 - HG2 GLU 38 - HB3 ARG 53 lone 2 63 - 3 - HB2 PRO 68 - HB3 GLU 38 lone 2 38 - 4 - HG3 GLU 94 - HB2 GLU 56 lone 1 76 - 2 - HB2 CYS 87 - HB3 GLU 38 lone 1 27 - 5 - 4341/3.0=1 HB2 CYS 87 - HB3 ARG 81 lone 1 66 - 1 - HG2 GLU 94 - HB3 ARG 81 lone 1 91 - 1 - HG3 GLU 28 - HB3 ARG 53 lone 1 55 - 1 - HG3 GLU 64 - HB3 ARG 53 lone 1 61 - 1 - HG3 GLU 15 - HB3 ARG 53 lone 1 63 - 1 - HG2 GLU 28 - HB3 ARG 53 lone 0 53 - 1 - HB2 CYS 87 - HB3 ARG 53 lone 0 42 - 1 - HG3 GLU 94 - HB3 ARG 81 lone 0 66 - 0 - Peak 3272 from cnoeabs.peaks (2.31, 2.04, 29.53 ppm; 3.74 A): 2 out of 28 assignments used, quality = 1.00: * HG3 GLU 56 + HB2 GLU 56 OK 100 100 - 100 - 3.0=100 HB3 PRO 60 + HB2 GLU 56 OK 77 100 - 78 - 3278/1.8=10, 3284/3.0=9...(37) HG3 GLU 56 - HB3 ARG 81 OK 26 94 - 28 - 3287=4, 8303/4.3=3...(10) HB2 LEU 54 - HB2 GLU 56 OK 25 92 - 28 - 1036/3.7=4, 262/4.6=3...(12) HG3 GLU 56 - HB3 ARG 53 OK 24 65 - 38 - 3287=4, 8732/3.0=4...(18) HB3 PRO 60 - HB3 ARG 53 OK 16 64 - 24 - 1019/4.4=3, ~6068=2...(7) HB VAL 120 - HB2 GLU 56 OK 13 87 - 15 - 3266/3.0=2, 1036/3.7=2...(6) HB2 GLU 82 - HB2 GLU 56 OK 11 73 - 15 - 3.7/393=2, 3266/3.0=1...(5) HB3 GLU 82 - HB2 GLU 56 OK 11 73 - 15 - 3.7/393=2, 3266/3.0=1...(5) HB3 PRO 60 - HB3 ARG 81 poor 10 93 - 10 - HB2 LEU 54 - HB3 ARG 53 poor 8 54 - 15 - 1019/4.4=9, ~6075=2, 6994/8217=1 HB3 GLU 82 - HB3 ARG 81 poor 7 64 - 12 - 3.7/393=7, ~8516=1, ~8515=1 HB2 GLU 82 - HB3 ARG 81 poor 7 64 - 12 - 3.7/393=7, ~8516=1, ~8515=1 HG2 GLN 16 - HB2 GLU 56 lone 7 97 - 7 - HG3 GLU 56 - HB3 GLU 38 poor 7 43 - 16 - 3287=2, 1.8/3281=1...(5) HB VAL 120 - HB3 ARG 81 lone 7 77 - 9 - 6259/3.0=2, ~8060=2, ~8058=1 HB2 LEU 54 - HB3 GLU 38 poor 6 35 - 18 - 3185/3.0=3, ~3192=2...(7) HB3 PRO 60 - HB3 GLU 38 poor 5 42 - 12 - ~6005=2, ~6710=1, 3463=1 HB2 LEU 54 - HB3 ARG 81 lone 4 82 - 5 - HG2 GLN 16 - HB3 ARG 81 lone 3 88 - 4 - 1958/4.3=1 HB VAL 120 - HB3 ARG 53 lone 2 50 - 3 - HB3 GLU 82 - HB3 GLU 38 lone 1 26 - 5 - HB2 GLU 82 - HB3 GLU 38 lone 1 26 - 5 - HG2 GLN 16 - HB3 ARG 53 lone 1 59 - 2 - HB3 GLU 82 - HB3 ARG 53 lone 1 40 - 2 - HB2 GLU 82 - HB3 ARG 53 lone 1 40 - 2 - HG2 GLN 16 - HB3 GLU 38 lone 1 38 - 2 - HB VAL 120 - HB3 GLU 38 lone 0 32 - 2 - Peak 3273 from cnoeabs.peaks (7.62, 1.79, 29.53 ppm; 3.28 A): 4 out of 10 assignments used, quality = 0.92: * H GLU 56 + HB3 GLU 56 OK 82 100 - 82 - 3.7=71, 3267/1.8=12...(7) H ARG 57 + HB3 GLU 56 OK 35 63 - 55 - 4.6=35, 3261/3.0=8...(7) H ARG 57 + HB3 ARG 57 OK 18 22 - 80 - 3.7=68, 1039/1.8=7...(14) HD21 ASN 12 + HB3 GLU 56 OK 15 100 - 15 - 3279/3.0=3, 3285/3.0=3...(6) H GLU 56 - HB3 ARG 57 poor 8 45 - 19 - 4.6/260=4, 1034=3...(4) H LYS 119 - HB3 GLU 56 lone 4 71 - 6 - 3261/3.0=1 H LYS 119 - HB3 ARG 57 poor 4 26 - 14 - 603/4.2=4, 1385/3.0=2...(5) HD21 ASN 12 - HB3 ARG 57 lone 2 44 - 5 - H ALA 122 - HB3 GLU 56 lone 1 57 - 2 - H ALA 122 - HB3 ARG 57 lone 0 20 - 1 - Peak 3274 from cnoeabs.peaks (4.17, 1.79, 29.53 ppm; 3.93 A): 1 out of 22 assignments used, quality = 1.00: * HA GLU 56 + HB3 GLU 56 OK 100 100 - 100 - 3.0=100 HA PRO 68 - HB3 GLU 56 OK 28 87 - 33 - 2.3/3277=4, 1032/3.7=4...(14) HA PRO 37 - HB3 GLU 56 OK 27 68 - 40 - 2.3/2679=3, 2665=3...(21) HA3 GLY 61 - HB3 GLU 56 OK 24 71 - 33 - ~8301=11, 3.0/279=6...(10) HA ARG 92 - HB3 GLU 56 OK 20 89 - 22 - 4417=3, 3.0/4425=2...(9) HA GLU 56 - HB3 ARG 57 OK 16 45 - 36 - 3261/3.7=9, 3264=4...(10) HA GLU 28 - HB3 GLU 56 OK 12 97 - 13 - 1032/3.7=2, 3286/3.0=2...(4) HA PRO 37 - HB3 ARG 57 poor 8 24 - 32 - 258/3.7=2, 2.3/2679=2...(19) HB2 SER 113 - HB3 GLU 56 lone 7 90 - 8 - 5048/4.6=2, 4.0/5635=1 HA ARG 92 - HB3 ARG 57 poor 7 35 - 19 - 4417=3, 3.0/4425=2...(6) HA SER 78 - HB3 GLU 56 lone 6 100 - 6 - 7449/1.8=1 HA PHE 83 - HB3 GLU 56 lone 5 81 - 7 - 1032/3.7=1 HA SER 78 - HB3 ARG 57 lone 3 45 - 8 - 7449/1.8=2 HA ILE 124 - HB3 GLU 56 lone 3 63 - 5 - HB2 SER 113 - HB3 ARG 57 lone 2 36 - 6 - 5048/3.7=2, 7927/4.9=1 HA ILE 124 - HB3 ARG 57 lone 1 22 - 6 - HA ASN 108 - HB3 GLU 56 lone 1 68 - 2 - HA PRO 68 - HB3 ARG 57 lone 1 34 - 4 - 258/3.7=1 HA ASN 108 - HB3 ARG 57 lone 1 24 - 4 - HA GLU 28 - HB3 ARG 57 lone 1 40 - 3 - HA3 GLY 61 - HB3 ARG 57 lone 1 26 - 4 - 3.0/279=1 HA PHE 83 - HB3 ARG 57 lone 1 30 - 2 - Peak 3275 from cnoeabs.peaks (2.04, 1.79, 29.53 ppm; 3.01 A): 2 out of 16 assignments used, quality = 1.00: * HB2 GLU 56 + HB3 GLU 56 OK 100 100 - 100 - 1.8=100 HG3 PRO 60 + HB3 GLU 56 OK 53 99 - 54 - 2.3/3278=6, 1.8/3467=4...(28) HG3 PRO 37 - HB3 GLU 56 OK 33 97 - 34 - 1.8/2686=3, 2693=3...(20) HB ILE 63 - HB3 GLU 56 OK 29 73 - 39 - ~7026=4, ~7025=4...(19) HG3 PRO 70 - HB3 GLU 56 OK 28 100 - 28 - 2.3/3277=3, ~3814=2...(15) HB3 ARG 53 - HB3 GLU 56 OK 26 85 - 30 - 3.0/6068=5, ~3132=3...(16) HB3 ARG 81 - HB3 GLU 56 OK 22 96 - 23 - 3270=2, ~6114=2...(11) HG3 PRO 60 - HB3 ARG 57 OK 20 43 - 46 - 2.3/3460=4, 1.8/3467=4...(28) HB3 ARG 81 - HB3 ARG 57 OK 14 40 - 36 - 3270=3, ~4115=2...(20) HG3 PRO 37 - HB3 ARG 57 OK 11 41 - 28 - 3474=2, 259/3.7=2...(10) HB3 GLU 38 - HB3 GLU 56 OK 11 83 - 13 - 3.0/6710=1 HB ILE 63 - HB3 ARG 57 OK 11 27 - 40 - 2.1/3517=3, ~3514=2...(22) HB2 GLU 56 - HB3 ARG 57 poor 9 45 - 20 - 259/3.7=5, 3270=2...(7) HB3 GLU 38 - HB3 ARG 57 poor 7 31 - 21 - 3.0/6710=2, ~6074=1...(8) HB3 ARG 53 - HB3 ARG 57 poor 4 33 - 12 - 259/3.7=2, 3.0/6068=2 HG3 PRO 70 - HB3 ARG 57 lone 2 45 - 4 - Peak 3276 from cnoeabs.peaks (1.79, 1.79, 29.53 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 56 + HB3 GLU 56 OK 100 100 - 100 HB3 ARG 57 - HB3 ARG 57 OK 31 31 - 100 Peak 3277 from cnoeabs.peaks (2.25, 1.79, 29.53 ppm; 3.68 A): 1 out of 26 assignments used, quality = 1.00: * HG2 GLU 56 + HB3 GLU 56 OK 100 100 - 100 - 3.0=100 HB2 PRO 70 - HB3 GLU 56 OK 45 100 - 45 - 3814/1.8=6, 3289/3.0=4...(21) HB2 PRO 68 - HB3 GLU 56 OK 39 96 - 41 - 3731/3.0=4, 3289/3.0=4...(22) HB3 LEU 117 - HB3 GLU 56 OK 29 95 - 31 - 5146=3, 3289/3.0=3...(17) HG3 GLU 38 - HB3 GLU 56 OK 18 100 - 18 - 4.0/6710=2, 261/4.6=2...(7) HG2 GLU 38 - HB3 GLU 56 OK 18 99 - 18 - 4.0/6710=2, 261/4.6=2...(7) HG3 GLU 38 - HB3 ARG 57 OK 12 44 - 28 - 4.0/6710=3, 6711/3.0=2...(15) HG2 GLU 38 - HB3 ARG 57 OK 12 43 - 28 - 4.0/6710=3, 6711/3.0=2...(15) HG2 GLU 56 - HB3 ARG 57 OK 11 45 - 25 - 5636/3.7=6, 3282=3...(8) HG3 GLU 15 - HB3 GLU 56 OK 10 100 - 10 - 6322=2, 1.8/6317=1, 4.1/8188=1 HG3 GLU 28 - HB3 GLU 56 poor 10 93 - 11 - 3265/3.0=1, 1035/3.7=1 HG2 GLU 28 - HB3 GLU 56 poor 10 90 - 11 - 3265/3.0=1, 1035/3.7=1 HG3 GLU 15 - HB3 ARG 57 poor 5 44 - 10 - 6321/3.0=2, ~6318=1...(5) HB2 PRO 70 - HB3 ARG 57 lone 4 45 - 8 - 8318/3.7=3 HG3 GLU 64 - HB3 GLU 56 lone 3 98 - 3 - HG2 GLU 94 - HB3 GLU 56 lone 3 99 - 3 - HB2 CYS 87 - HB3 GLU 56 lone 3 76 - 4 - HG3 GLU 64 - HB3 ARG 57 lone 3 42 - 6 - HB3 LEU 117 - HB3 ARG 57 lone 3 39 - 7 - 5907/4.2=3, 261/3.7=2 HG3 GLU 94 - HB3 GLU 56 lone 2 76 - 3 - HB2 PRO 68 - HB3 ARG 57 lone 2 40 - 4 - 261/3.7=1 HB2 CYS 87 - HB3 ARG 57 lone 1 28 - 5 - HG3 GLU 28 - HB3 ARG 57 lone 1 38 - 2 - HG2 GLU 28 - HB3 ARG 57 lone 1 36 - 2 - HG2 GLU 94 - HB3 ARG 57 lone 1 43 - 2 - HG3 GLU 94 - HB3 ARG 57 lone 0 28 - 1 - Peak 3278 from cnoeabs.peaks (2.31, 1.79, 29.53 ppm; 3.72 A): 2 out of 14 assignments used, quality = 1.00: * HG3 GLU 56 + HB3 GLU 56 OK 100 100 - 100 - 3.0=100 HB3 PRO 60 + HB3 GLU 56 OK 76 100 - 77 - 3284/3.0=9, ~7024=8...(38) HB3 PRO 60 - HB3 ARG 57 OK 28 44 - 64 - 3460=6, 3465/3.5=5...(37) HB2 LEU 54 - HB3 GLU 56 OK 23 92 - 25 - 1036/3.7=4, 262/4.6=3...(10) HB VAL 120 - HB3 GLU 56 OK 12 87 - 14 - 3266/3.0=2, 1036/3.7=2...(6) HG3 GLU 56 - HB3 ARG 57 OK 12 45 - 27 - 5637/3.7=6, 3288=3...(7) HB2 LEU 54 - HB3 ARG 57 OK 10 37 - 28 - ~8503=4, ~8502=4...(10) HB3 GLU 82 - HB3 GLU 56 poor 9 73 - 12 - 3266/3.0=1, 3272/1.8=1...(4) HB2 GLU 82 - HB3 GLU 56 poor 9 73 - 12 - 3266/3.0=1, 3272/1.8=1...(4) HG2 GLN 16 - HB3 ARG 57 poor 7 40 - 18 - ~7046=7, ~730=1, ~729=1...(8) HG2 GLN 16 - HB3 GLU 56 lone 6 97 - 6 - HB VAL 120 - HB3 ARG 57 lone 2 34 - 7 - 262/3.7=3 HB2 GLU 82 - HB3 ARG 57 lone 1 27 - 2 - HB3 GLU 82 - HB3 ARG 57 lone 1 27 - 2 - Peak 3279 from cnoeabs.peaks (7.62, 2.25, 35.00 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.90: * H GLU 56 + HG2 GLU 56 OK 82 100 - 82 - 4.9=58, 3285/1.8=22...(10) H ARG 57 + HG2 GLU 56 OK 26 63 - 41 - 3261/4.0=9, 3273/3.0=8...(9) HD21 ASN 12 + HG2 GLU 56 OK 25 100 - 25 - 1.7/6286=8, 3285/1.8=6...(6) H LYS 119 - HG2 GLU 56 lone 6 71 - 9 - 3285/1.8=2, 4.6/599=2 H ALA 122 - HG2 GLU 56 lone 1 57 - 2 - Peak 3280 from cnoeabs.peaks (4.17, 2.25, 35.00 ppm; 4.33 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 56 + HG2 GLU 56 OK 100 100 - 100 - 4.0=100 HA PRO 68 - HG2 GLU 56 OK 27 87 - 31 - 3286/1.8=5, ~3289=4...(14) HA PRO 37 - HG2 GLU 56 OK 21 68 - 31 - 2.3/3282=5, 3286/1.8=4...(13) HA3 GLY 61 - HG2 GLU 56 OK 15 71 - 22 - ~280=6, ~282=4...(7) HA GLU 28 - HG2 GLU 56 OK 12 97 - 13 - 3286/1.8=2, 3274/3.0=2...(5) HA ARG 92 - HG2 GLU 56 OK 12 89 - 14 - 3274/3.0=2, 3286/1.8=2...(7) HA PHE 83 - HG2 GLU 56 lone 7 81 - 8 - 3286/1.8=1 HB2 SER 113 - HG2 GLU 56 lone 6 90 - 7 - 4.0/5636=2, 3286/1.8=1 HA SER 78 - HG2 GLU 56 lone 5 100 - 5 - 7449/3.0=1, 3286/1.8=1 HA ILE 124 - HG2 GLU 56 lone 4 63 - 6 - HA ASN 108 - HG2 GLU 56 lone 1 68 - 2 - Peak 3281 from cnoeabs.peaks (2.04, 2.25, 35.00 ppm; 3.60 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 56 + HG2 GLU 56 OK 100 100 - 100 - 3.0=100 HG3 PRO 60 + HG2 GLU 56 OK 60 99 - 61 - 2.3/3284=10, 3287/1.8=7...(26) HB ILE 63 - HG2 GLU 56 OK 38 73 - 52 - 2.1/7025=9, ~7026=8...(18) HG3 PRO 70 - HG2 GLU 56 OK 35 100 - 35 - 3832=4, 3287/1.8=3...(19) HG3 PRO 37 - HG2 GLU 56 OK 30 97 - 31 - 2.3/3282=4, 3287/1.8=4...(18) HB3 ARG 53 - HG2 GLU 56 OK 26 85 - 31 - 3287/1.8=3, ~8732=3...(15) HB3 ARG 81 - HG2 GLU 56 OK 21 96 - 22 - 3287/1.8=3, 3263/4.0=2...(9) HB3 GLU 38 - HG2 GLU 56 OK 12 83 - 14 - 3287/1.8=1, 3.0/2704=1 Peak 3282 from cnoeabs.peaks (1.79, 2.25, 35.00 ppm; 3.77 A): 2 out of 13 assignments used, quality = 1.00: * HB3 GLU 56 + HG2 GLU 56 OK 100 100 - 100 - 3.0=100 HB2 PRO 60 + HG2 GLU 56 OK 64 97 - 66 - 1.8/3284=12, 3288/1.8=8...(30) HB2 PRO 37 - HG2 GLU 56 OK 39 99 - 40 - 3288/1.8=5, 2.3/3281=3...(23) HG13 ILE 63 - HG2 GLU 56 OK 34 63 - 54 - 3.2/7025=9, ~7026=7...(23) HB2 LEU 117 - HG2 GLU 56 OK 25 85 - 30 - 5140=4, ~6258=3...(15) HB3 ARG 57 - HG2 GLU 56 OK 21 83 - 25 - 3.7/5636=6, 3288/1.8=3...(8) HB3 ARG 92 - HG2 GLU 56 OK 11 93 - 12 - 4431/4.0=1, ~4425=1...(4) HB2 GLU 75 - HG2 GLU 56 lone 9 89 - 10 - 1.8/7316=1 HG2 GLU 75 - HG2 GLU 56 lone 6 81 - 7 - HB2 LYS 32 - HG2 GLU 56 lone 4 99 - 4 - HG3 PRO 30 - HG2 GLU 56 lone 1 60 - 2 - HB3 GLN 105 - HG2 GLU 56 lone 1 68 - 2 - HD3 LYS 109 - HG2 GLU 56 lone 1 65 - 1 - Peak 3283 from cnoeabs.peaks (2.25, 2.25, 35.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 56 + HG2 GLU 56 OK 100 100 - 100 Peak 3284 from cnoeabs.peaks (2.31, 2.25, 35.00 ppm; 3.23 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 56 + HG2 GLU 56 OK 100 100 - 100 - 1.8=100 HB3 PRO 60 + HG2 GLU 56 OK 54 100 - 54 - 1.8/3282=6, 3278/3.0=5...(28) HB2 LEU 54 - HG2 GLU 56 OK 14 92 - 16 - 1036/4.9=2, 3278/3.0=2...(6) HB VAL 120 - HG2 GLU 56 lone 8 87 - 9 - 3266/4.0=1, 1036/4.9=1...(4) HB3 GLU 82 - HG2 GLU 56 lone 6 73 - 8 - HB2 GLU 82 - HG2 GLU 56 lone 6 73 - 8 - HG2 GLN 16 - HG2 GLU 56 lone 5 97 - 5 - Peak 3285 from cnoeabs.peaks (7.62, 2.31, 35.00 ppm; 4.15 A): 3 out of 5 assignments used, quality = 0.92: * H GLU 56 + HG3 GLU 56 OK 85 100 - 85 - 4.9=59, 3279/1.8=23...(10) H ARG 57 + HG3 GLU 56 OK 28 63 - 45 - 3.6/3266=11, 4.6/1036=8...(9) HD21 ASN 12 + HG3 GLU 56 OK 24 100 - 24 - 3279/1.8=7, ~6286=7...(6) H LYS 119 - HG3 GLU 56 lone 7 71 - 9 - 3279/1.8=2, 4.6/1393=1 H ALA 122 - HG3 GLU 56 lone 3 57 - 4 - 4.6/621=1 Peak 3286 from cnoeabs.peaks (4.17, 2.31, 35.00 ppm; 4.28 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 56 + HG3 GLU 56 OK 100 100 - 100 - 4.0=100 HA PRO 68 - HG3 GLU 56 OK 27 87 - 31 - 2.3/3289=5, 3280/1.8=5...(11) HA PRO 37 - HG3 GLU 56 OK 20 68 - 29 - 2.3/3288=5, 3280/1.8=4...(11) HA3 GLY 61 - HG3 GLU 56 OK 19 71 - 28 - 3.0/280=9, 3.6/7099=6...(8) HA GLU 28 - HG3 GLU 56 OK 12 97 - 13 - 3280/1.8=2, 3274/3.0=2...(4) HA ARG 92 - HG3 GLU 56 OK 12 89 - 13 - 3274/3.0=2, 3280/1.8=2...(7) HA PHE 83 - HG3 GLU 56 lone 6 81 - 8 - 3280/1.8=1 HB2 SER 113 - HG3 GLU 56 lone 6 90 - 7 - 4.0/5637=2, 3280/1.8=1 HA SER 78 - HG3 GLU 56 lone 5 100 - 5 - 7449/3.0=1 HA ILE 124 - HG3 GLU 56 lone 4 63 - 6 - 3.2/8500=1 HA ASN 108 - HG3 GLU 56 lone 1 68 - 2 - Peak 3287 from cnoeabs.peaks (2.04, 2.31, 35.00 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 56 + HG3 GLU 56 OK 100 100 - 100 - 3.0=100 HG3 PRO 60 + HG3 GLU 56 OK 64 99 - 65 - 3475=8, 3281/1.8=7...(26) HB ILE 63 - HG3 GLU 56 OK 39 73 - 53 - 2.1/7026=11, ~7025=8...(18) HG3 PRO 37 - HG3 GLU 56 OK 33 97 - 34 - 2.3/3288=4, 3475=4...(18) HG3 PRO 70 - HG3 GLU 56 OK 33 100 - 33 - 2.3/3289=5, 3281/1.8=4...(17) HB3 ARG 53 - HG3 GLU 56 OK 30 85 - 36 - 3.0/8732=4, 3281/1.8=3...(18) HB3 ARG 81 - HG3 GLU 56 OK 25 96 - 26 - 3272=3, 4.3/8303=3...(10) HB3 GLU 38 - HG3 GLU 56 OK 13 83 - 15 - 3281/1.8=1, 3.0/3289=1 Peak 3288 from cnoeabs.peaks (1.79, 2.31, 35.00 ppm; 3.76 A): 2 out of 13 assignments used, quality = 1.00: * HB3 GLU 56 + HG3 GLU 56 OK 100 100 - 100 - 3.0=100 HB2 PRO 60 + HG3 GLU 56 OK 67 97 - 70 - ~3284=8, 3454=8...(31) HB2 PRO 37 - HG3 GLU 56 OK 39 99 - 39 - 3282/1.8=5, 2.3/3287=3...(22) HG13 ILE 63 - HG3 GLU 56 OK 34 63 - 54 - 3.2/7026=10, 2.1/8500=7...(23) HB3 ARG 57 - HG3 GLU 56 OK 22 83 - 26 - 3.7/5637=6, 3282/1.8=2...(7) HB2 LEU 117 - HG3 GLU 56 OK 21 85 - 25 - 3.0/6258=3, 1.8/3289=3...(11) HB3 ARG 92 - HG3 GLU 56 OK 11 93 - 12 - 4431/4.0=1, ~4425=1...(4) HB2 GLU 75 - HG3 GLU 56 lone 7 89 - 8 - 3282/1.8=1 HG2 GLU 75 - HG3 GLU 56 lone 5 81 - 6 - HB2 LYS 32 - HG3 GLU 56 lone 4 99 - 4 - HB3 GLN 105 - HG3 GLU 56 lone 1 68 - 2 - HG3 PRO 30 - HG3 GLU 56 lone 1 60 - 2 - HD3 LYS 109 - HG3 GLU 56 lone 1 65 - 1 - Peak 3289 from cnoeabs.peaks (2.25, 2.31, 35.00 ppm; 2.93 A): 1 out of 13 assignments used, quality = 1.00: * HG2 GLU 56 + HG3 GLU 56 OK 100 100 - 100 - 1.8=100 HB2 PRO 70 - HG3 GLU 56 OK 23 100 - 23 - 3814/3.0=3, 3277/3.0=2...(10) HB2 PRO 68 - HG3 GLU 56 OK 20 96 - 21 - 3277/3.0=2, 2.3/3286=2...(11) HB3 LEU 117 - HG3 GLU 56 OK 14 95 - 15 - 3.0/6258=2, 1.8/3288=1...(6) HG3 GLU 38 - HG3 GLU 56 lone 7 100 - 7 - HG2 GLU 38 - HG3 GLU 56 lone 7 99 - 7 - HG3 GLU 15 - HG3 GLU 56 lone 5 100 - 5 - HG3 GLU 28 - HG3 GLU 56 lone 4 93 - 5 - HG2 GLU 28 - HG3 GLU 56 lone 4 90 - 5 - HG3 GLU 64 - HG3 GLU 56 lone 2 98 - 2 - HB2 CYS 87 - HG3 GLU 56 lone 2 76 - 2 - HG2 GLU 94 - HG3 GLU 56 lone 2 99 - 2 - HG3 GLU 94 - HG3 GLU 56 lone 1 76 - 1 - Peak 3290 from cnoeabs.peaks (2.31, 2.31, 35.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 56 + HG3 GLU 56 OK 100 100 - 100 Peak 3291 from cnoeabs.peaks (7.59, 4.11, 56.72 ppm; 3.55 A): 1 out of 18 assignments used, quality = 1.00: * H ARG 57 + HA ARG 57 OK 100 100 - 100 - 3.0=100 H LYS 119 - HA ARG 57 OK 30 100 - 30 - 263/3.6=8, 3299/3.0=4...(10) H SER 113 - HA ARG 57 OK 14 92 - 15 - 3299/3.0=2, 263/3.6=2...(8) H CYS 52 - HA ARG 57 OK 13 78 - 17 - 3307/3.0=2, 3299/3.0=2...(10) H GLU 56 - HA ARG 57 OK 12 63 - 19 - ~3261=3, 263/3.6=3...(9) HD21 ASN 12 - HA ARG 57 lone 6 76 - 8 - H ARG 57 - HA ALA 98 lone 5 64 - 7 - 1038=1 H SER 113 - HA ALA 98 lone 2 54 - 4 - 4.6/1756=1 H LYS 119 - HA ALA 98 lone 2 64 - 3 - H ARG 57 - HA ASN 108 lone 2 42 - 4 - HD21 ASN 12 - HA ALA 98 lone 1 41 - 4 - ~7566=1, ~8360=1 H SER 113 - HA ASN 108 lone 1 35 - 4 - 4.6/1756=1 H CYS 52 - HA ALA 98 lone 1 43 - 3 - HD21 ASN 12 - HA ASN 108 lone 1 26 - 3 - H LYS 119 - HA ASN 108 lone 1 42 - 2 - H GLU 56 - HA ALA 98 lone 1 33 - 2 - H CYS 52 - HA ASN 108 lone 0 27 - 1 - H GLU 56 - HA ASN 108 lone 0 21 - 1 - Peak 3292 from cnoeabs.peaks (4.11, 4.11, 56.72 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HA ARG 57 + HA ARG 57 OK 100 100 - 100 HA ALA 98 - HA ALA 98 OK 41 41 - 100 HA ASN 108 - HA ASN 108 OK 20 20 - 100 Peak 3293 from cnoeabs.peaks (2.07, 4.11, 56.72 ppm; 3.58 A): 2 out of 45 assignments used, quality = 1.00: * HB2 ARG 57 + HA ARG 57 OK 100 100 - 100 - 3.0=100 HB ILE 63 + HA ARG 57 OK 56 99 - 57 - 1039/3.0=5, ~7124=5...(36) HB3 ARG 81 - HA ARG 57 OK 32 83 - 39 - 3.5/3298=4, 2.9/3295=3...(23) HG3 PRO 60 - HA ARG 57 OK 31 68 - 46 - 2.3/3297=9, 2.3/3294=4...(24) HB3 GLU 38 - HA ARG 57 OK 29 96 - 31 - 3300=4, 3299/3.0=3...(17) HG LEU 21 - HA ARG 57 OK 26 97 - 27 - ~7033=4, ~6399=3...(13) HG3 PRO 37 - HA ARG 57 OK 22 78 - 28 - ~1637=2, 2.3/3294=2...(14) HB2 GLN 105 - HA ARG 57 OK 14 100 - 14 - 4773/3.0=2, 1.8/3294=1 HB2 LEU 101 - HA ARG 57 poor 10 63 - 15 - 3.1/7038=2, ~7031=1...(5) HB2 GLN 16 - HA ARG 57 lone 9 99 - 9 - HG2 GLU 64 - HA ARG 57 lone 9 100 - 9 - 265/3.6=2, 3.0/8508=1 HB3 GLN 16 - HA ARG 57 lone 9 99 - 9 - HB2 LEU 114 - HA ARG 57 lone 9 97 - 9 - 265/3.6=2, ~7957=1, 1039/3.0=1 HB3 ARG 81 - HA ALA 98 poor 8 46 - 17 - ~8536=4, ~7435=4...(5) HB2 GLU 15 - HA ARG 57 lone 6 92 - 7 - HB2 ARG 57 - HA ALA 98 lone 6 64 - 9 - 3.5/3297=1, 3.5/3340=1 HB ILE 63 - HA ALA 98 lone 5 61 - 8 - 2.1/3513=1 HB2 LEU 101 - HA ALA 98 poor 5 33 - 14 - 4.0/1729=3, 3.1/7717=2...(5) HG3 GLU 69 - HA ARG 57 lone 4 85 - 5 - HG3 PRO 37 - HA ALA 98 lone 4 43 - 8 - 6701/3.6=1 HB2 LEU 114 - HA ALA 98 lone 3 59 - 5 - HB2 ARG 57 - HA ASN 108 lone 3 42 - 6 - HB2 GLU 15 - HA ALA 98 lone 2 54 - 5 - 1910/3.6=3 HG LEU 21 - HA ALA 98 lone 2 58 - 4 - HB ILE 63 - HA ASN 108 lone 2 40 - 4 - HB3 GLU 38 - HA ALA 98 lone 1 57 - 3 - HB2 LEU 101 - HA ASN 108 lone 1 21 - 7 - 4.0/1729=3, 3.1/7717=1 HG2 GLU 64 - HA ALA 98 lone 1 64 - 2 - HB3 ARG 81 - HA ASN 108 lone 1 30 - 3 - ~538=1 HG3 PRO 37 - HA ASN 108 lone 1 27 - 3 - HB3 GLU 38 - HA ASN 108 lone 1 37 - 2 - HB2 GLN 105 - HA ASN 108 lone 1 41 - 2 - HB2 GLN 105 - HA ALA 98 lone 1 63 - 1 - HG2 GLU 64 - HA ASN 108 lone 1 42 - 2 - HB2 GLN 16 - HA ALA 98 lone 1 62 - 1 - HB3 GLN 16 - HA ALA 98 lone 1 61 - 1 - HB2 LEU 114 - HA ASN 108 lone 1 39 - 1 - HG3 PRO 60 - HA ALA 98 lone 1 36 - 1 - HG3 GLU 69 - HA ALA 98 lone 0 48 - 1 - HG LEU 21 - HA ASN 108 lone 0 38 - 1 - HB2 GLU 15 - HA ASN 108 lone 0 35 - 1 - HB2 GLN 16 - HA ASN 108 lone 0 40 - 1 - HB3 GLN 16 - HA ASN 108 lone 0 40 - 1 - HG3 GLU 69 - HA ASN 108 lone 0 31 - 1 - HG3 PRO 60 - HA ASN 108 lone 0 23 - 1 - Peak 3294 from cnoeabs.peaks (1.81, 4.11, 56.72 ppm; 3.32 A): 2 out of 42 assignments used, quality = 1.00: * HB3 ARG 57 + HA ARG 57 OK 100 100 - 100 - 3.0=100 HG13 ILE 63 + HA ARG 57 OK 50 99 - 51 - 7132/3.0=5, 2.1/3534=4...(28) HB2 PRO 60 - HA ARG 57 OK 42 98 - 43 - 3.0/3297=6, 3302/3.0=3...(21) HB3 GLU 56 - HA ARG 57 OK 31 83 - 38 - 5635/3.0=6, ~259=4...(16) HB2 PRO 37 - HA ARG 57 OK 19 68 - 29 - 260/3.0=2, 6678/3.6=2...(8) HG2 GLU 75 - HA ARG 57 OK 15 100 - 15 - 3.6/6096=2, 3.0/3296=1...(6) HG3 ARG 53 - HA ARG 57 OK 14 92 - 15 - 1040/3.0=2 HB3 GLN 105 - HA ARG 57 OK 11 99 - 11 - 4780/3.0=1, 1.8/3293=1, ~4773=1 HB3 ARG 92 - HA ARG 57 OK 11 99 - 10 - 266/3.6=2 HB3 ARG 57 - HA ALA 98 lone 5 64 - 8 - 3.5/3297=1 HG LEU 41 - HA ARG 57 lone 5 83 - 6 - HB2 GLU 69 - HA ARG 57 lone 4 81 - 5 - HG13 ILE 63 - HA ALA 98 lone 3 61 - 5 - HB2 PRO 37 - HA ALA 98 lone 3 36 - 8 - HG2 GLU 73 - HA ARG 57 lone 3 68 - 4 - HG3 GLU 73 - HA ARG 57 lone 3 65 - 4 - HB3 ARG 57 - HA ASN 108 lone 2 42 - 5 - HB2 LYS 32 - HA ARG 57 lone 2 68 - 2 - HG2 GLU 75 - HA ALA 98 lone 1 64 - 2 - HG13 ILE 63 - HA ASN 108 lone 1 40 - 3 - HB2 PRO 37 - HA ASN 108 lone 1 23 - 4 - HB2 PRO 60 - HA ALA 98 lone 1 60 - 1 - HG2 GLU 75 - HA ASN 108 lone 1 42 - 2 - HG LEU 41 - HA ALA 98 lone 1 46 - 2 - HG2 GLU 73 - HA ALA 98 lone 1 36 - 2 - HG3 ARG 53 - HA ALA 98 lone 1 54 - 1 - HG3 GLU 73 - HA ALA 98 lone 1 35 - 2 - HG LEU 41 - HA ASN 108 lone 1 30 - 2 - 6766/4.3=1 HB3 GLN 105 - HA ASN 108 lone 1 41 - 2 - HB2 LYS 32 - HA ALA 98 lone 1 36 - 2 - HB3 GLU 56 - HA ALA 98 lone 1 46 - 1 - HB3 GLN 105 - HA ALA 98 lone 0 62 - 1 - HB3 ARG 92 - HA ALA 98 lone 0 62 - 1 - HG3 ARG 53 - HA ASN 108 lone 0 35 - 1 - HB3 ARG 92 - HA ASN 108 lone 0 41 - 1 - HB2 GLU 69 - HA ALA 98 lone 0 45 - 1 - HB2 PRO 60 - HA ASN 108 lone 0 39 - 1 - HB3 GLU 56 - HA ASN 108 lone 0 30 - 1 - HG2 GLU 73 - HA ASN 108 lone 0 23 - 1 - HG3 GLU 73 - HA ASN 108 lone 0 22 - 1 - HB2 LYS 32 - HA ASN 108 lone 0 23 - 1 - HB2 GLU 69 - HA ASN 108 lone 0 29 - 1 - Peak 3295 from cnoeabs.peaks (1.58, 4.11, 56.72 ppm; 4.02 A): 4 out of 30 assignments used, quality = 1.00: * HG2 ARG 57 + HA ARG 57 OK 100 100 - 100 - 3.6=100 HG2 ARG 81 + HA ARG 57 OK 55 100 - 55 - 3327/3.6=5, 3.0/3298=5...(28) HG3 ARG 81 + HA ARG 57 OK 55 100 - 55 - 3327/3.6=5, 3.0/3298=5...(28) HG12 ILE 63 + HA ARG 57 OK 51 78 - 65 - 1.8/3294=7, 7133/3.0=6...(30) HD2 LYS 119 - HA ARG 57 OK 30 90 - 33 - 1041/3.0=3, 3.0/3296=3...(18) HD3 LYS 119 - HA ARG 57 OK 29 89 - 33 - 1041/3.0=3, 3.0/3296=3...(18) HG LEU 126 - HA ARG 57 OK 13 92 - 14 - 5403/3.6=2, 3316=2...(7) HB2 LEU 126 - HA ARG 57 OK 10 78 - 13 - 267/3.6=2, 4.0/5638=1 HB3 LEU 126 - HA ARG 57 poor 10 76 - 13 - 267/3.6=2, 4.0/5638=1 HG3 ARG 81 - HA ALA 98 poor 9 64 - 15 - ~8361=4, ~8536=4...(4) HG2 ARG 81 - HA ALA 98 poor 9 64 - 15 - ~8361=4, ~8536=4...(4) HG2 ARG 57 - HA ALA 98 lone 6 64 - 10 - 2.9/3297=2, 2.9/3340=1...(4) HG12 ILE 124 - HA ARG 57 lone 6 63 - 9 - HG12 ILE 124 - HA ALA 98 lone 3 33 - 10 - 1.8/5363=2, 2.1/5370=1 HG12 ILE 63 - HA ALA 98 lone 3 43 - 7 - 3.2/3513=1 HG2 ARG 57 - HA ASN 108 lone 2 42 - 5 - HG12 ILE 124 - HA ASN 108 lone 2 21 - 7 - 1.8/5363=1, 1327/3.6=1 HG2 ARG 81 - HA ASN 108 lone 1 42 - 3 - ~539=1 HG3 ARG 81 - HA ASN 108 lone 1 42 - 3 - ~539=1 HG12 ILE 63 - HA ASN 108 lone 1 27 - 4 - HD2 LYS 119 - HA ALA 98 lone 1 52 - 2 - HD3 LYS 119 - HA ALA 98 lone 1 51 - 2 - HG LEU 126 - HA ALA 98 lone 1 54 - 1 - HB2 LEU 126 - HA ALA 98 lone 0 43 - 1 - HB3 LEU 126 - HA ALA 98 lone 0 41 - 1 - HD2 LYS 119 - HA ASN 108 lone 0 34 - 1 - HD3 LYS 119 - HA ASN 108 lone 0 33 - 1 - HG LEU 126 - HA ASN 108 lone 0 35 - 1 - HB2 LEU 126 - HA ASN 108 lone 0 27 - 1 - HB3 LEU 126 - HA ASN 108 lone 0 26 - 1 - Peak 3296 from cnoeabs.peaks (1.47, 4.11, 56.72 ppm; 3.48 A): 1 out of 51 assignments used, quality = 0.95: * HG3 ARG 57 + HA ARG 57 OK 95 100 - 95 - 3.6=87, 2.9/3297=16...(19) HG LEU 24 - HA ARG 57 OK 38 89 - 43 - 2.1/2223=7, 2.1/2230=5...(17) HG2 LYS 119 - HA ARG 57 OK 27 99 - 27 - 5220/3.0=4, 4.9/3291=2...(14) HB3 LEU 58 - HA ARG 57 OK 20 83 - 25 - 1048/3.6=5, 3.1/7038=3...(10) HB3 GLU 75 - HA ARG 57 OK 17 89 - 19 - 3964/3.0=3, 3.0/6096=2...(10) QB ALA 14 - HA ARG 57 lone 10 100 - 10 - 6307/3.0=2, 6309/3.0=2 HB3 LEU 101 - HA ARG 57 poor 9 63 - 14 - 3.1/7038=2, 3.1/7038=1...(4) HG2 LYS 109 - HA ASN 108 poor 8 36 - 23 - 4910/3.6=9, ~7843=4...(9) QB ALA 14 - HA ASN 108 poor 7 42 - 18 - 1901/3.0=4, ~1898=3...(6) HB3 LEU 45 - HA ARG 57 lone 7 89 - 8 - HB2 LEU 93 - HA ARG 57 lone 6 100 - 6 - 268/3.6=1 HG2 LYS 109 - HA ARG 57 lone 6 95 - 6 - 268/3.6=2 HD2 LYS 46 - HA ARG 57 lone 5 98 - 5 - HG3 ARG 57 - HA ALA 98 lone 5 64 - 7 - 2.9/3297=1, 2.9/3340=1 HG3 LYS 31 - HA ARG 57 lone 5 100 - 5 - 268/3.6=1 HB3 LEU 101 - HA ALA 98 poor 4 33 - 13 - 4.0/1729=3, 3.1/7717=2...(5) HG LEU 91 - HA ALA 98 lone 4 43 - 9 - ~7666=2, ~7661=2...(5) HD2 LYS 65 - HA ARG 57 lone 3 73 - 4 - HD3 LYS 65 - HA ARG 57 lone 3 73 - 4 - HG LEU 93 - HA ARG 57 lone 3 71 - 5 - 1048/3.6=1 QB ALA 14 - HA ALA 98 lone 3 64 - 5 - 5443/3.6=2 HG LEU 91 - HA ARG 57 lone 3 78 - 4 - 1048/3.6=1 QB ALA 89 - HA ARG 57 lone 3 65 - 4 - HB3 LEU 45 - HA ALA 98 lone 2 51 - 4 - ~7667=2 HB2 LEU 93 - HA ALA 98 lone 2 64 - 3 - HG2 LYS 109 - HA ALA 98 lone 2 56 - 3 - ~7836=1 HG3 ARG 57 - HA ASN 108 lone 2 42 - 4 - HB3 LEU 58 - HA ASN 108 lone 2 30 - 6 - 1326/3.6=4 HB3 GLU 75 - HA ALA 98 lone 1 51 - 3 - HB3 LEU 101 - HA ASN 108 lone 1 21 - 7 - 4.0/1729=2 HB3 LEU 58 - HA ALA 98 lone 1 46 - 3 - HD2 LYS 46 - HA ASN 108 lone 1 39 - 4 - 1326/3.6=2 HG LEU 93 - HA ALA 98 lone 1 38 - 3 - HG2 LYS 119 - HA ALA 98 lone 1 62 - 2 - HG LEU 24 - HA ALA 98 lone 1 51 - 2 - QB ALA 89 - HA ALA 98 lone 1 35 - 2 - HB2 LEU 93 - HA ASN 108 lone 1 42 - 2 - HD2 LYS 65 - HA ALA 98 lone 1 40 - 2 - HD3 LYS 65 - HA ALA 98 lone 1 40 - 2 - HG2 LYS 119 - HA ASN 108 lone 1 40 - 2 - 1326/3.6=1 HB3 GLU 75 - HA ASN 108 lone 1 33 - 2 - HG3 LYS 31 - HA ASN 108 lone 1 42 - 2 - HG3 LYS 31 - HA ALA 98 lone 1 63 - 1 - HD2 LYS 65 - HA ASN 108 lone 1 25 - 3 - HD3 LYS 65 - HA ASN 108 lone 1 25 - 3 - HD2 LYS 46 - HA ALA 98 lone 1 60 - 1 - HG LEU 93 - HA ASN 108 lone 0 24 - 2 - HB3 LEU 45 - HA ASN 108 lone 0 33 - 1 - HG LEU 91 - HA ASN 108 lone 0 27 - 1 - HG LEU 24 - HA ASN 108 lone 0 33 - 1 - QB ALA 89 - HA ASN 108 lone 0 22 - 1 - Peak 3297 from cnoeabs.peaks (3.31, 4.11, 56.72 ppm; 3.36 A): 3 out of 9 assignments used, quality = 0.83: * HD2 ARG 57 + HA ARG 57 OK 73 100 - 73 - 4.5=41, 1.8/3340=13...(18) HD3 PRO 60 + HA ARG 57 OK 32 76 - 42 - 3329/3.6=5, 3313/3.0=5...(17) HD3 ARG 85 + HA ARG 57 OK 10 87 - 12 - 3329/3.6=2, 3313/3.0=2...(6) HD2 ARG 57 - HA ALA 98 lone 6 64 - 9 - 3332=2, 1.8/3340=1 HD2 ARG 57 - HA ASN 108 lone 2 42 - 4 - HD3 ARG 85 - HA ASN 108 lone 2 32 - 5 - 7503/4.3=4 HD3 ARG 85 - HA ALA 98 lone 1 49 - 1 - HD3 PRO 60 - HA ALA 98 lone 0 41 - 1 - HD3 PRO 60 - HA ASN 108 lone 0 26 - 1 - Peak 3298 from cnoeabs.peaks (3.12, 4.11, 56.72 ppm; 3.65 A): 2 out of 30 assignments used, quality = 0.91: * HD3 ARG 57 + HA ARG 57 OK 83 100 - 83 - 4.5=52, 1.8/3297=23...(20) HD3 ARG 81 + HA ARG 57 OK 44 99 - 44 - 3330/3.6=6, 3322/3.6=4...(19) HB3 CYS 52 - HA ARG 57 OK 17 99 - 17 - 3117/3.0=3, 8287/3.0=2...(10) HB3 ASP 100 - HA ARG 57 OK 16 99 - 17 - 3330/3.6=2, 3314/3.0=2...(10) HB3 ASP 100 - HA ASN 108 OK 14 40 - 35 - 8149/3.0=18, 539/3.0=4...(9) HB3 ASP 100 - HA ALA 98 OK 13 61 - 21 - 7688/3.0=8, 7676/3.6=5...(5) HB2 PHE 107 - HA ASN 108 poor 10 36 - 27 - 539/3.0=9, ~5860=7...(6) HB2 PHE 107 - HA ARG 57 lone 9 95 - 10 - 3330/3.6=1, 3314/3.0=1 HD3 ARG 81 - HA ALA 98 poor 8 62 - 13 - ~8361=4, ~8536=2...(4) HD2 ARG 92 - HA ARG 57 poor 8 73 - 11 - 3314/3.0=1 HD3 ARG 92 - HA ARG 57 poor 8 71 - 11 - 3314/3.0=1 HD3 ARG 57 - HA ALA 98 poor 8 64 - 12 - 3340=2, 1.8/3297=2...(4) HD3 ARG 53 - HA ARG 57 poor 7 60 - 11 - 1044/3.0=1, 3.0/3294=1 HB3 CYS 76 - HA ARG 57 lone 6 97 - 6 - HB2 PHE 107 - HA ALA 98 lone 4 56 - 8 - 7676/3.6=3, 4.6/1317=2 HB3 CYS 76 - HA ALA 98 lone 3 59 - 5 - 7676/3.6=3 HB3 CYS 76 - HA ASN 108 lone 3 39 - 7 - 539/3.0=2 HD3 ARG 57 - HA ASN 108 lone 2 42 - 6 - 539/3.0=1 HD3 ARG 81 - HA ASN 108 lone 2 41 - 5 - 539/3.0=2, ~543=2 HB3 CYS 52 - HA ALA 98 lone 1 61 - 2 - HB3 CYS 52 - HA ASN 108 lone 1 40 - 3 - 539/3.0=2 HB2 HIS 10 - HA ALA 98 lone 1 33 - 2 - 4.4/1724=1 HB2 HIS 10 - HA ARG 57 lone 1 63 - 1 - HD3 ARG 53 - HA ALA 98 lone 1 31 - 2 - HD3 ARG 53 - HA ASN 108 lone 0 20 - 2 - 539/3.0=1 HD2 ARG 92 - HA ALA 98 lone 0 40 - 1 - HD3 ARG 92 - HA ALA 98 lone 0 38 - 1 - HB2 HIS 10 - HA ASN 108 lone 0 21 - 1 - HD2 ARG 92 - HA ASN 108 lone 0 25 - 1 - HD3 ARG 92 - HA ASN 108 lone 0 24 - 1 - Peak 3299 from cnoeabs.peaks (7.59, 2.07, 29.15 ppm; 3.59 A): 1 out of 12 assignments used, quality = 0.95: * H ARG 57 + HB2 ARG 57 OK 95 100 - 95 - 3.7=89, 3307/1.8=15...(14) H LYS 119 - HB2 ARG 57 OK 33 100 - 33 - 263/4.2=7, 3307/1.8=5...(9) H ARG 57 - HB3 GLU 38 OK 26 96 - 27 - 1639/3.0=5, 1039=4...(10) H SER 113 - HB2 ARG 57 OK 17 92 - 18 - 3307/1.8=3, 3323/3.0=2...(8) H CYS 52 - HB2 ARG 57 OK 16 78 - 21 - 3307/1.8=3, 3339/3.5=2...(9) H GLU 56 - HB2 ARG 57 OK 15 63 - 24 - 4.6/1039=6, 3307/1.8=2...(10) HD21 ASN 12 - HB2 ARG 57 lone 7 76 - 9 - 3.5/6284=1, 3307/1.8=1 H GLU 56 - HB3 GLU 38 lone 5 56 - 10 - 4.6/1039=2 H LYS 119 - HB3 GLU 38 lone 5 95 - 5 - H SER 113 - HB3 GLU 38 lone 4 84 - 5 - H CYS 52 - HB3 GLU 38 lone 3 71 - 4 - HD21 ASN 12 - HB3 GLU 38 lone 3 68 - 4 - ~6286=1 Peak 3300 from cnoeabs.peaks (4.11, 2.07, 29.15 ppm; 3.91 A): 1 out of 20 assignments used, quality = 1.00: * HA ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 3.0=100 HA ILE 63 - HB2 ARG 57 OK 42 73 - 58 - 3308/1.8=5, 3.2/3514=4...(33) HA LEU 24 - HB2 ARG 57 OK 42 90 - 47 - 3332/3.5=5, 3308/1.8=5...(18) HA ARG 57 - HB3 GLU 38 OK 34 96 - 36 - 3.0/3299=4, 3293=3...(17) HA3 GLY 25 - HB2 ARG 57 OK 33 100 - 33 - 3332/3.5=4, ~6484=4...(13) HA PRO 37 - HB2 ARG 57 OK 20 60 - 33 - 3.6/2711=3, 3308/1.8=2...(17) HA PRO 37 - HB3 GLU 38 OK 18 53 - 33 - 3.6/2711=9, ~6710=3...(13) HA ILE 63 - HB3 GLU 38 OK 17 66 - 26 - 3500=2, ~6709=2...(14) HB3 SER 78 - HB2 ARG 57 OK 10 95 - 10 - 3.0/7449=1, 3308/1.8=1 HA ALA 98 - HB2 ARG 57 poor 8 76 - 11 - 3297/3.5=1, 3340/3.5=1 HA LEU 24 - HB3 GLU 38 lone 8 83 - 10 - 2194/4.4=2, 4.0/8207=1 HB3 SER 78 - HB3 GLU 38 lone 6 87 - 7 - 4040/4.4=2, 3.0/7449=2 HA ILE 124 - HB2 ARG 57 lone 6 65 - 9 - ~7037=1 HA ASN 108 - HB2 ARG 57 lone 4 60 - 7 - HB3 SER 72 - HB2 ARG 57 lone 4 71 - 5 - HA3 GLY 25 - HB3 GLU 38 lone 2 96 - 3 - HA ALA 98 - HB3 GLU 38 lone 2 68 - 3 - HB3 SER 72 - HB3 GLU 38 lone 2 63 - 3 - HA ASN 108 - HB3 GLU 38 lone 2 53 - 3 - HA ILE 124 - HB3 GLU 38 lone 1 58 - 2 - Peak 3301 from cnoeabs.peaks (2.07, 2.07, 29.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 57 + HB2 ARG 57 OK 100 100 - 100 HB3 GLU 38 + HB3 GLU 38 OK 89 89 - 100 Peak 3302 from cnoeabs.peaks (1.81, 2.07, 29.15 ppm; 2.98 A): 2 out of 28 assignments used, quality = 1.00: * HB3 ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 1.8=100 HG13 ILE 63 + HB2 ARG 57 OK 48 99 - 49 - 7132/3.7=3, 2.1/3535=3...(25) HB2 PRO 60 - HB2 ARG 57 OK 44 98 - 45 - 3326/3.0=3, 3318/3.0=3...(26) HB3 ARG 57 - HB3 GLU 38 OK 25 96 - 27 - 6076/3.0=3, 3309=3...(14) HB2 PRO 37 - HB2 ARG 57 OK 21 68 - 30 - 2.3/2689=2, 6678/3.0=2...(13) HB3 GLU 56 - HB2 ARG 57 OK 16 83 - 20 - 4.6/3299=5, 3294/3.0=2...(5) HB2 PRO 37 - HB3 GLU 38 OK 16 61 - 27 - 3.9/2711=5, 6710/3.0=3...(13) HB3 GLN 105 - HB2 ARG 57 OK 16 99 - 16 - 4780=2, 3.0/4764=1 HG2 GLU 75 - HB2 ARG 57 OK 15 100 - 16 - ~3976=2, 3.0/7315=2...(6) HG13 ILE 63 - HB3 GLU 38 OK 13 93 - 14 - 2.1/3535=1, ~6715=1...(7) HG3 ARG 53 - HB2 ARG 57 OK 13 92 - 14 - 1040/3.7=1 HG LEU 41 - HB3 GLU 38 OK 12 75 - 16 - ~6008=2, ~6007=2...(8) HB3 ARG 92 - HB2 ARG 57 OK 11 99 - 11 - ~4425=1, 266/4.2=1 HB3 GLU 56 - HB3 GLU 38 poor 9 75 - 11 - 4.6/3299=1, 6710/3.0=1 HB2 PRO 60 - HB3 GLU 38 lone 8 92 - 8 - HG2 GLU 75 - HB3 GLU 38 lone 6 96 - 6 - HG LEU 41 - HB2 ARG 57 lone 6 83 - 7 - HB2 GLU 69 - HB2 ARG 57 lone 5 81 - 6 - HB3 GLN 105 - HB3 GLU 38 lone 5 94 - 5 - HG2 GLU 73 - HB2 ARG 57 lone 3 68 - 5 - HG3 GLU 73 - HB2 ARG 57 lone 3 65 - 5 - HB2 GLU 69 - HB3 GLU 38 lone 3 73 - 4 - HG3 ARG 53 - HB3 GLU 38 lone 3 84 - 3 - HB2 LYS 32 - HB3 GLU 38 lone 2 61 - 3 - HG2 GLU 73 - HB3 GLU 38 lone 2 61 - 3 - HG3 GLU 73 - HB3 GLU 38 lone 2 58 - 3 - HB2 LYS 32 - HB2 ARG 57 lone 2 68 - 2 - HB3 ARG 92 - HB3 GLU 38 lone 1 94 - 1 - Peak 3303 from cnoeabs.peaks (1.58, 2.07, 29.15 ppm; 3.74 A): 4 out of 20 assignments used, quality = 1.00: * HG2 ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 3.0=100 HG3 ARG 81 + HB2 ARG 57 OK 69 100 - 69 - 3327/3.0=6, 3343/3.5=5...(49) HG2 ARG 81 + HB2 ARG 57 OK 69 100 - 69 - 3327/3.0=6, 3343/3.5=5...(49) HG12 ILE 63 + HB2 ARG 57 OK 52 78 - 67 - 1.8/3302=5, 3524/1.8=5...(42) HG2 ARG 57 - HB3 GLU 38 OK 32 96 - 34 - 3317=3, 1.8/3325=3...(18) HD2 LYS 119 - HB2 ARG 57 OK 29 90 - 33 - 3327/3.0=2, 1041/3.7=2...(16) HD3 LYS 119 - HB2 ARG 57 OK 29 89 - 32 - 3327/3.0=2, 1041/3.7=2...(16) HG12 ILE 63 - HB3 GLU 38 OK 16 71 - 22 - ~6715=2, 2.1/3535=2...(11) HG LEU 126 - HB2 ARG 57 OK 15 92 - 16 - 5403/4.2=2, 3321/3.5=1...(6) HB2 LEU 126 - HB2 ARG 57 OK 13 78 - 16 - 4.0/5639=1, 267/4.2=1 HB3 LEU 126 - HB2 ARG 57 OK 12 76 - 16 - 4.0/5639=1, 267/4.2=1 HG3 ARG 81 - HB3 GLU 38 lone 7 96 - 8 - HG2 ARG 81 - HB3 GLU 38 lone 7 96 - 8 - HG12 ILE 124 - HB2 ARG 57 poor 7 63 - 10 - ~7037=1 HD2 LYS 119 - HB3 GLU 38 lone 4 83 - 4 - HD3 LYS 119 - HB3 GLU 38 lone 4 81 - 4 - HG LEU 126 - HB3 GLU 38 lone 2 84 - 2 - HG12 ILE 124 - HB3 GLU 38 lone 1 56 - 2 - HB2 LEU 126 - HB3 GLU 38 lone 1 71 - 1 - HB3 LEU 126 - HB3 GLU 38 lone 1 68 - 1 - Peak 3304 from cnoeabs.peaks (1.47, 2.07, 29.15 ppm; 3.69 A): 3 out of 34 assignments used, quality = 1.00: * HG3 ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 3.0=100 HG LEU 24 + HB2 ARG 57 OK 53 89 - 60 - ~7041=11, ~6469=7...(24) QB ALA 14 + HB3 GLU 38 OK 50 95 - 52 - 6311/3.0=12, 6309=8...(14) HG3 ARG 57 - HB3 GLU 38 OK 36 96 - 38 - 3325=4, 6707/3.0=3...(21) HG2 LYS 119 - HB2 ARG 57 OK 32 99 - 33 - 5220/3.7=4, 3312/1.8=3...(12) HB3 GLU 75 - HB2 ARG 57 OK 26 89 - 30 - 3964/1.8=4, 7315=3...(13) HB3 LEU 58 - HB2 ARG 57 OK 23 83 - 28 - 3.9/265=8, 3.0/3544=2...(12) QB ALA 14 - HB2 ARG 57 OK 18 100 - 18 - 6309=3, 6307/1.8=3, 2.9/6300=1 HB2 LEU 93 - HB3 GLU 38 OK 17 95 - 18 - 6704/3.8=2, 6707/3.0=2...(5) HB3 GLU 75 - HB3 GLU 38 OK 15 81 - 18 - 6707/3.0=3, 6704/3.8=3...(8) HB3 LEU 45 - HB2 ARG 57 OK 12 89 - 14 - 3.1/7034=1, 3312/1.8=1 HB3 LEU 101 - HB2 ARG 57 OK 12 63 - 19 - ~7037=2, 4.0/6726=1, 3312/1.8=1 HG LEU 24 - HB3 GLU 38 OK 11 81 - 14 - 2215/4.4=2, 6707/3.0=2...(5) HB2 LEU 93 - HB2 ARG 57 lone 9 100 - 9 - 268/4.2=1 HG LEU 93 - HB3 GLU 38 poor 9 63 - 14 - ~6709=2, 5804/3.8=1...(4) HG2 LYS 119 - HB3 GLU 38 lone 8 93 - 8 - HG LEU 91 - HB3 GLU 38 poor 7 71 - 10 - ~6709=1, ~7588=1, ~7587=1 HG2 LYS 109 - HB2 ARG 57 lone 7 95 - 8 - 268/4.2=2 HD2 LYS 46 - HB2 ARG 57 lone 7 98 - 7 - HB3 LEU 58 - HB3 GLU 38 lone 6 75 - 9 - 3.9/5639=2 HG3 LYS 31 - HB2 ARG 57 lone 6 100 - 6 - HG LEU 93 - HB2 ARG 57 lone 5 71 - 7 - HG3 LYS 31 - HB3 GLU 38 lone 5 95 - 5 - HD3 LYS 65 - HB2 ARG 57 lone 4 73 - 6 - HD2 LYS 65 - HB2 ARG 57 lone 4 73 - 6 - HG2 LYS 109 - HB3 GLU 38 lone 4 87 - 5 - HD2 LYS 46 - HB3 GLU 38 lone 4 92 - 5 - HG LEU 91 - HB2 ARG 57 lone 4 78 - 5 - HB3 LEU 45 - HB3 GLU 38 lone 4 81 - 5 - QB ALA 89 - HB2 ARG 57 lone 3 65 - 5 - 3.6/5639=1 HB3 LEU 101 - HB3 GLU 38 lone 3 56 - 6 - 6707/3.0=1, 4.0/6726=1 HD2 LYS 65 - HB3 GLU 38 lone 3 66 - 5 - HD3 LYS 65 - HB3 GLU 38 lone 3 66 - 5 - QB ALA 89 - HB3 GLU 38 lone 3 58 - 4 - Peak 3305 from cnoeabs.peaks (3.31, 2.07, 29.15 ppm; 4.88 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 3.5=100 HD3 PRO 60 + HB2 ARG 57 OK 63 76 - 83 - 3329/3.0=12, 3313/1.8=12...(40) HD2 ARG 57 - HB3 GLU 38 OK 41 96 - 43 - ~6076=4, 1.8/3306=4...(17) HD3 ARG 85 - HB2 ARG 57 OK 29 87 - 33 - 3329/3.0=5, 3313/1.8=5...(11) HD3 ARG 85 - HB3 GLU 38 OK 16 79 - 21 - ~6007=3, 3.9/2708=2...(7) HD3 PRO 60 - HB3 GLU 38 OK 11 68 - 16 - ~6005=3, ~6710=2...(4) Peak 3306 from cnoeabs.peaks (3.12, 2.07, 29.15 ppm; 4.45 A): 2 out of 20 assignments used, quality = 1.00: * HD3 ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 3.5=100 HD3 ARG 81 + HB2 ARG 57 OK 77 99 - 78 - 3330/3.0=9, 3338/3.5=8...(43) HD3 ARG 57 - HB3 GLU 38 OK 39 96 - 41 - 1.8/3305=5, 3341=4...(18) HB2 PHE 107 - HB3 GLU 38 OK 38 87 - 44 - ~6720=10, 2.4/4801=8...(9) HB3 ASP 100 - HB2 ARG 57 OK 32 99 - 33 - 3.0/7696=5, ~7695=4...(13) HB3 CYS 52 - HB2 ARG 57 OK 30 99 - 30 - 3117/3.7=4, 8287/1.8=3...(14) HB2 PHE 107 - HB2 ARG 57 OK 21 95 - 22 - 2.4/4801=3, 4.4/6726=3...(11) HD2 ARG 92 - HB2 ARG 57 OK 18 73 - 24 - 3314/1.8=2, 3330/3.0=2...(13) HB3 CYS 76 - HB3 GLU 38 OK 17 91 - 19 - 6083/3.0=5, 5726/3.8=4...(6) HD3 ARG 92 - HB2 ARG 57 OK 17 71 - 24 - 3314/1.8=2, 3330/3.0=2...(13) HD3 ARG 81 - HB3 GLU 38 OK 15 94 - 15 - ~6720=2, 4155=1, ~6724=1 HD3 ARG 53 - HB2 ARG 57 OK 14 60 - 24 - 3314/1.8=2, 1044/3.7=2...(7) HB3 CYS 76 - HB2 ARG 57 OK 14 97 - 14 - 3.0/7326=2, 3314/1.8=2...(5) HB3 ASP 100 - HB3 GLU 38 lone 6 93 - 6 - 4.3/6726=2, 3.0/7696=1 HB3 CYS 52 - HB3 GLU 38 lone 5 93 - 6 - 5613/3.8=1 HD3 ARG 53 - HB3 GLU 38 lone 3 53 - 6 - 3169/3.8=1 HB2 HIS 10 - HB2 ARG 57 lone 1 63 - 2 - HD2 ARG 92 - HB3 GLU 38 lone 1 66 - 2 - HD3 ARG 92 - HB3 GLU 38 lone 1 63 - 2 - HB2 HIS 10 - HB3 GLU 38 lone 0 56 - 1 - Peak 3307 from cnoeabs.peaks (7.59, 1.81, 29.15 ppm; 3.40 A): 3 out of 12 assignments used, quality = 0.94: * H ARG 57 + HB3 ARG 57 OK 89 100 - 89 - 3.7=75, 3299/1.8=14...(14) H LYS 119 + HB3 ARG 57 OK 29 100 - 29 - 263/4.2=6, 3299/1.8=5...(9) H ARG 57 + HB3 GLU 56 OK 27 45 - 60 - 4.6=39, 259/1.8=10...(8) H GLU 56 - HB3 GLU 56 OK 19 22 - 84 - 3.7=79, 1033/1.8=8...(6) H CYS 52 - HB3 ARG 57 OK 16 78 - 20 - 3299/1.8=2, 3.0/8284=2...(9) H SER 113 - HB3 ARG 57 OK 15 92 - 16 - 3299/1.8=2, 3323/3.0=2...(8) H GLU 56 - HB3 ARG 57 OK 14 63 - 23 - 4.6/1040=5, 3299/1.8=2...(10) HD21 ASN 12 - HB3 ARG 57 lone 6 76 - 8 - 3299/1.8=1 H LYS 119 - HB3 GLU 56 lone 4 44 - 9 - 5633/3.0=2, 5636/3.0=2...(4) HD21 ASN 12 - HB3 GLU 56 poor 3 28 - 10 - ~6286=3, 5636/3.0=2...(4) H SER 113 - HB3 GLU 56 lone 3 37 - 8 - 5633/3.0=1, 5637/3.0=1 H CYS 52 - HB3 GLU 56 lone 2 29 - 6 - 5637/3.0=1 Peak 3308 from cnoeabs.peaks (4.11, 1.81, 29.15 ppm; 3.71 A): 1 out of 20 assignments used, quality = 1.00: * HA ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 3.0=100 HA LEU 24 - HB3 ARG 57 OK 39 90 - 43 - 3332/3.5=5, 4.0/8209=5...(18) HA ILE 63 - HB3 ARG 57 OK 37 73 - 51 - 3.2/3517=5, 3.0/3309=4...(29) HA3 GLY 25 - HB3 ARG 57 OK 30 100 - 30 - 3332/3.5=4, 3340/3.5=4...(11) HA ARG 57 - HB3 GLU 56 OK 21 45 - 46 - 3.0/260=6, ~259=5...(19) HA PRO 37 - HB3 ARG 57 OK 19 60 - 31 - 3324/3.0=2, 3300/1.8=2...(17) HA ILE 63 - HB3 GLU 56 OK 12 27 - 44 - ~7026=5, ~7025=5...(23) HB3 SER 78 - HB3 ARG 57 lone 8 95 - 8 - HA ALA 98 - HB3 ARG 57 lone 7 76 - 9 - 3297/3.5=1, 3340/3.5=1 HA ILE 124 - HB3 ARG 57 lone 6 65 - 9 - 3.2/7037=2 HA PRO 37 - HB3 GLU 56 poor 6 21 - 27 - 2.3/2679=2, 2665=2...(17) HB3 SER 72 - HB3 ARG 57 lone 4 71 - 5 - HA ASN 108 - HB3 ARG 57 lone 4 60 - 6 - HB3 SER 78 - HB3 GLU 56 lone 2 39 - 5 - HA LEU 24 - HB3 GLU 56 lone 1 36 - 4 - 1038/4.6=2 HA3 GLY 25 - HB3 GLU 56 lone 1 45 - 3 - 1038/4.6=1 HA ILE 124 - HB3 GLU 56 lone 1 23 - 3 - HA ALA 98 - HB3 GLU 56 lone 0 28 - 2 - HB3 SER 72 - HB3 GLU 56 lone 0 26 - 1 - HA ASN 108 - HB3 GLU 56 lone 0 21 - 1 - Peak 3309 from cnoeabs.peaks (2.07, 1.81, 29.15 ppm; 2.88 A): 1 out of 30 assignments used, quality = 1.00: * HB2 ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 1.8=100 HB ILE 63 - HB3 ARG 57 OK 44 99 - 45 - 2.1/3517=4, 3510=3...(23) HB3 ARG 81 - HB3 ARG 57 OK 33 83 - 41 - 4773=3, 3.5/3314=2...(20) HG3 PRO 60 - HB3 ARG 57 OK 29 68 - 43 - 2.3/3460=4, 2.3/3313=3...(27) HB3 GLU 38 - HB3 ARG 57 OK 23 96 - 24 - 3.0/6076=3, 3302=3...(13) HG LEU 21 - HB3 ARG 57 OK 19 97 - 20 - ~8502=2, ~8503=2...(11) HG3 PRO 37 - HB3 ARG 57 OK 19 78 - 24 - ~6682=1, ~2689=1, 3474=1...(5) HB2 GLN 105 - HB3 ARG 57 OK 16 100 - 16 - 4773=3, 3.0/4765=2, 4.0/1298=1 HB ILE 63 - HB3 GLU 56 OK 15 42 - 35 - ~7026=4, ~7025=3...(17) HG3 PRO 60 - HB3 GLU 56 OK 11 24 - 45 - 2.3/3460=5, 1.8/3467=4...(25) HB2 ARG 57 - HB3 GLU 56 poor 9 45 - 20 - 3299/4.6=4, 3302=2...(5) HB2 GLN 16 - HB3 ARG 57 lone 7 99 - 7 - HB3 GLN 16 - HB3 ARG 57 lone 7 99 - 7 - HG3 PRO 37 - HB3 GLU 56 poor 7 29 - 24 - 1.8/2686=2, ~2689=2...(9) HB2 LEU 101 - HB3 ARG 57 lone 6 63 - 10 - 3.1/7037=1 HB3 ARG 81 - HB3 GLU 56 poor 6 31 - 19 - ~6114=2, ~4115=2...(5) HB2 GLU 15 - HB3 ARG 57 lone 6 92 - 6 - HB2 LEU 114 - HB3 ARG 57 lone 6 97 - 6 - HG2 GLU 64 - HB3 ARG 57 lone 5 100 - 5 - HG3 GLU 69 - HB3 ARG 57 lone 4 85 - 5 - HB3 GLU 38 - HB3 GLU 56 lone 4 40 - 10 - 3299/4.6=1, 3.0/6710=1 HB2 GLU 15 - HB3 GLU 56 lone 2 37 - 4 - HB2 GLN 16 - HB3 GLU 56 lone 1 43 - 3 - HB3 GLN 16 - HB3 GLU 56 lone 1 42 - 3 - HG2 GLU 64 - HB3 GLU 56 lone 1 45 - 2 - HB2 GLN 105 - HB3 GLU 56 lone 1 44 - 2 - HG LEU 21 - HB3 GLU 56 lone 1 40 - 2 - HB2 LEU 114 - HB3 GLU 56 lone 1 41 - 1 - HB2 LEU 101 - HB3 GLU 56 lone 0 22 - 1 - HG3 GLU 69 - HB3 GLU 56 lone 0 33 - 1 - Peak 3310 from cnoeabs.peaks (1.81, 1.81, 29.15 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 57 + HB3 ARG 57 OK 100 100 - 100 HB3 GLU 56 - HB3 GLU 56 OK 31 31 - 100 Peak 3311 from cnoeabs.peaks (1.58, 1.81, 29.15 ppm; 4.04 A): 4 out of 20 assignments used, quality = 1.00: * HG2 ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 3.0=100 HG2 ARG 81 + HB3 ARG 57 OK 73 100 - 73 - 3327/3.0=6, 3303/1.8=6...(45) HG3 ARG 81 + HB3 ARG 57 OK 73 100 - 73 - 3327/3.0=6, 3303/1.8=6...(45) HG12 ILE 63 + HB3 ARG 57 OK 56 78 - 72 - 2.1/3538=7, 3524=6...(40) HD2 LYS 119 - HB3 ARG 57 OK 33 90 - 36 - 1041/3.7=3, 3327/3.0=3...(20) HD3 LYS 119 - HB3 ARG 57 OK 32 89 - 36 - 1041/3.7=3, 3327/3.0=3...(20) HG12 ILE 63 - HB3 GLU 56 OK 18 29 - 63 - 7133/3.7=8, ~7026=6...(31) HG LEU 126 - HB3 ARG 57 OK 18 92 - 19 - 5403/4.2=2, 3321/3.5=2...(9) HG2 ARG 81 - HB3 GLU 56 OK 17 45 - 39 - ~6114=3, 4124/1.8=3...(23) HG3 ARG 81 - HB3 GLU 56 OK 17 45 - 39 - ~6114=3, 4124/1.8=3...(23) HB2 LEU 126 - HB3 ARG 57 OK 16 78 - 20 - 4.0/5640=2, 267/4.2=2...(5) HB3 LEU 126 - HB3 ARG 57 OK 15 76 - 19 - 4.0/5640=2, 267/4.2=1...(5) HG2 ARG 57 - HB3 GLU 56 OK 13 45 - 30 - 3315/4.6=6, 3.6/3294=3...(11) HG12 ILE 124 - HB3 ARG 57 poor 8 63 - 13 - 3.2/7037=2 HD2 LYS 119 - HB3 GLU 56 lone 3 36 - 7 - 1041/4.6=2 HD3 LYS 119 - HB3 GLU 56 lone 3 35 - 7 - 1041/4.6=2 HG LEU 126 - HB3 GLU 56 lone 2 37 - 4 - HB2 LEU 126 - HB3 GLU 56 lone 1 29 - 4 - HB3 LEU 126 - HB3 GLU 56 lone 1 28 - 4 - HG12 ILE 124 - HB3 GLU 56 lone 1 22 - 4 - Peak 3312 from cnoeabs.peaks (1.47, 1.81, 29.15 ppm; 4.17 A): 2 out of 34 assignments used, quality = 1.00: * HG3 ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 3.0=100 HG LEU 24 + HB3 ARG 57 OK 62 89 - 70 - ~7041=15, ~6469=9...(23) HG2 LYS 119 - HB3 ARG 57 OK 38 99 - 38 - 5220/3.7=5, 3336/3.5=3...(15) HB3 GLU 75 - HB3 ARG 57 OK 37 89 - 42 - 3964=5, 1.8/3958=5...(19) HB3 LEU 58 - HB3 ARG 57 OK 29 83 - 35 - 3.9/266=13, 3.1/8404=4...(11) QB ALA 14 - HB3 ARG 57 OK 19 100 - 19 - 6309/1.8=3, 6307=3...(9) HB3 LEU 45 - HB3 ARG 57 OK 16 89 - 18 - 3.1/7036=2, ~7039=1...(7) HG3 ARG 57 - HB3 GLU 56 OK 15 45 - 34 - 3323/4.6=8, 3.6/3294=3...(14) HB3 LEU 101 - HB3 ARG 57 OK 14 63 - 23 - 3.1/7037=3, ~6173=1...(9) HB2 LEU 93 - HB3 ARG 57 OK 13 100 - 13 - 3.8/453=2, 268/4.2=1 HD2 LYS 46 - HB3 ARG 57 lone 9 98 - 9 - HG2 LYS 109 - HB3 ARG 57 lone 8 95 - 9 - 268/4.2=2 HG3 LYS 31 - HB3 ARG 57 lone 8 100 - 8 - 268/4.2=1 HG LEU 93 - HB3 ARG 57 lone 7 71 - 9 - 1048/4.2=1, 5.3/453=1 HD3 LYS 65 - HB3 ARG 57 lone 6 73 - 8 - HD2 LYS 65 - HB3 ARG 57 lone 6 73 - 8 - HG LEU 91 - HB3 ARG 57 lone 5 78 - 7 - 1048/4.2=1 HB2 LEU 93 - HB3 GLU 56 poor 5 45 - 10 - ~7025=2, ~7026=1, 3.8/453=1 QB ALA 89 - HB3 ARG 57 lone 4 65 - 7 - 3.6/5640=2, 5784/4.2=1 HB3 GLU 75 - HB3 GLU 56 poor 4 35 - 12 - 3964=1, 1.8/3958=1...(4) HG2 LYS 119 - HB3 GLU 56 lone 4 43 - 9 - 5220/4.6=4, 5220/3.7=1 QB ALA 14 - HB3 GLU 56 lone 4 45 - 8 - 6307=2 HB3 LEU 58 - HB3 GLU 56 lone 3 31 - 8 - 3.9/266=2, 1042/4.6=2 HG LEU 93 - HB3 GLU 56 lone 3 26 - 10 - ~7025=2, ~7026=2 HG LEU 24 - HB3 GLU 56 lone 2 35 - 5 - 1042/4.6=2 HG3 LYS 31 - HB3 GLU 56 lone 2 44 - 4 - 5220/3.7=1 HG LEU 91 - HB3 GLU 56 lone 1 29 - 5 - HD2 LYS 46 - HB3 GLU 56 lone 1 42 - 2 - HG2 LYS 109 - HB3 GLU 56 lone 1 39 - 2 - HB3 LEU 45 - HB3 GLU 56 lone 1 35 - 2 - HB3 LEU 101 - HB3 GLU 56 lone 1 22 - 3 - HD2 LYS 65 - HB3 GLU 56 lone 0 27 - 2 - HD3 LYS 65 - HB3 GLU 56 lone 0 27 - 2 - QB ALA 89 - HB3 GLU 56 lone 0 23 - 2 - Peak 3313 from cnoeabs.peaks (3.31, 1.81, 29.15 ppm; 4.49 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 3.5=100 HD3 PRO 60 + HB3 ARG 57 OK 60 76 - 80 - 3329/3.0=11, 3297/3.0=10...(38) HD3 ARG 85 - HB3 ARG 57 OK 25 87 - 29 - 3329/3.0=4, 3305/1.8=4...(11) HD3 PRO 60 - HB3 GLU 56 OK 22 28 - 78 - 3.0/3460=7, 1.8/3432=7...(33) HD2 ARG 57 - HB3 GLU 56 OK 17 45 - 39 - 1043/4.6=12, 3334=4...(14) HD3 ARG 85 - HB3 GLU 56 lone 1 34 - 4 - 1043/4.6=2 Peak 3314 from cnoeabs.peaks (3.12, 1.81, 29.15 ppm; 4.29 A): 2 out of 20 assignments used, quality = 1.00: * HD3 ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 3.5=100 HD3 ARG 81 + HB3 ARG 57 OK 73 99 - 73 - 3330/3.0=9, 3338/3.5=8...(40) HB3 CYS 52 - HB3 ARG 57 OK 31 99 - 32 - 3.0/8284=3, 3117/3.7=3...(14) HB3 ASP 100 - HB3 ARG 57 OK 29 99 - 29 - 3.0/7695=6, 7687/4.9=3...(12) HB2 PHE 107 - HB3 ARG 57 OK 20 95 - 21 - ~4801=2, 3330/3.0=2...(11) HD2 ARG 92 - HB3 ARG 57 OK 19 73 - 25 - 3.5/4425=2, 1.8/4457=2...(13) HD3 ARG 92 - HB3 ARG 57 OK 18 71 - 25 - 3.5/4425=2, 1.8/4457=2...(14) HD3 ARG 53 - HB3 ARG 57 OK 17 60 - 28 - 3.6/3134=2, 1.8/3166=2...(12) HD3 ARG 81 - HB3 GLU 56 OK 17 43 - 39 - 4155/1.8=4, 1044/4.6=4...(24) HD3 ARG 57 - HB3 GLU 56 OK 15 45 - 34 - 3339/4.6=8, 3342=3...(12) HB3 CYS 76 - HB3 ARG 57 OK 15 97 - 15 - 4.0/360=2, 3330/3.0=1...(6) HD3 ARG 53 - HB3 GLU 56 poor 6 21 - 28 - 5.3/6068=4, ~3164=3...(14) HD2 ARG 92 - HB3 GLU 56 poor 4 27 - 16 - 3.5/4425=3, 5.0/4417=2...(5) HD3 ARG 92 - HB3 GLU 56 poor 4 26 - 16 - 3.5/4425=3, 5.0/4417=2...(5) HB3 CYS 52 - HB3 GLU 56 lone 3 42 - 7 - 3117/4.6=3 HB2 PHE 107 - HB3 GLU 56 lone 2 39 - 4 - HB3 ASP 100 - HB3 GLU 56 lone 2 42 - 4 - 1044/4.6=1 HB3 CYS 76 - HB3 GLU 56 lone 1 41 - 4 - HB2 HIS 10 - HB3 ARG 57 lone 1 63 - 2 - HB2 HIS 10 - HB3 GLU 56 lone 0 22 - 1 - Peak 3315 from cnoeabs.peaks (7.59, 1.58, 27.21 ppm; 4.75 A): 2 out of 18 assignments used, quality = 0.98: * H ARG 57 + HG2 ARG 57 OK 97 100 - 97 - 5.1=81, 1043/2.9=19...(22) H LYS 119 + HG2 ARG 57 OK 47 100 - 47 - 3323/1.8=9, 3331/2.9=6...(13) H SER 113 - HG2 ARG 57 OK 25 92 - 27 - 7926/3.5=5, 3323/1.8=5...(7) H CYS 52 - HG2 ARG 57 OK 24 78 - 31 - 3339/2.9=4, 3323/1.8=4...(12) H GLU 56 - HG2 ARG 57 OK 20 63 - 32 - 4.6/1041=7, 3323/1.8=3...(12) H ARG 57 - HG LEU 126 OK 15 78 - 19 - 4.6/267=3, 1041=2...(9) H LYS 119 - HG LEU 126 OK 11 77 - 14 - 8029/2.1=2, 603/4.9=1...(6) H SER 113 - HG12 ILE 124 OK 10 46 - 23 - ~8117=5, 7929/3.0=4...(9) HD21 ASN 12 - HG2 ARG 57 poor 10 76 - 13 - 3323/1.8=2, 3331/2.9=1...(9) H CYS 52 - HG LEU 126 poor 8 54 - 16 - ~5411=2, ~5418=2...(6) H ARG 57 - HG12 ILE 124 poor 6 55 - 10 - H GLU 56 - HG LEU 126 lone 3 42 - 8 - 4.6/1041=1 H LYS 119 - HG12 ILE 124 lone 3 55 - 5 - 8029/2.1=1, 8041/8056=1 H SER 113 - HG LEU 126 lone 2 66 - 3 - H GLU 56 - HG12 ILE 124 lone 2 28 - 7 - H CYS 52 - HG12 ILE 124 lone 1 37 - 2 - HD21 ASN 12 - HG LEU 126 lone 1 52 - 1 - HD21 ASN 12 - HG12 ILE 124 lone 0 35 - 1 - Peak 3316 from cnoeabs.peaks (4.11, 1.58, 27.21 ppm; 4.06 A): 2 out of 30 assignments used, quality = 1.00: * HA ARG 57 + HG2 ARG 57 OK 100 100 - 100 - 3.6=100 HA LEU 24 + HG2 ARG 57 OK 48 90 - 54 - 4.0/7041=18, 3332/2.9=6...(15) HA3 GLY 25 - HG2 ARG 57 OK 40 100 - 40 - 1.8/6484=8, 3332/2.9=5...(12) HA ILE 63 - HG2 ARG 57 OK 37 73 - 51 - 3324/1.8=5, 3340/2.9=5...(23) HA ILE 124 - HG12 ILE 124 OK 29 29 - 100 - 4.0=100 HA PRO 37 - HG2 ARG 57 OK 18 60 - 29 - ~6678=3, 3324/1.8=3...(15) HA ARG 57 - HG LEU 126 OK 12 78 - 15 - 3.6/267=2, 3295=2...(8) HB3 SER 78 - HG2 ARG 57 lone 8 95 - 8 - 3324/1.8=1 HA ALA 98 - HG2 ARG 57 lone 8 76 - 10 - 3297/2.9=2, 3340/2.9=1 HA ILE 124 - HG2 ARG 57 lone 6 65 - 9 - ~7037=1 HB3 SER 78 - HG12 ILE 124 poor 6 48 - 12 - 4041/4.0=1, 5363/1.8=1 HA ARG 57 - HG12 ILE 124 lone 5 55 - 8 - ~7037=1 HA ILE 63 - HG12 ILE 124 poor 5 34 - 14 - 3504/3.2=3, ~1072=1...(6) HA ASN 108 - HG2 ARG 57 lone 3 60 - 6 - HA3 GLY 25 - HG LEU 126 lone 3 78 - 4 - HA LEU 24 - HG12 ILE 124 lone 3 45 - 7 - 4.0/7041=2 HA ALA 98 - HG12 ILE 124 lone 3 35 - 8 - 7671/1.8=1, ~8113=1 HB3 SER 72 - HG2 ARG 57 lone 3 71 - 4 - HA ILE 63 - HG LEU 126 lone 3 50 - 6 - HA ILE 124 - HG LEU 126 lone 3 44 - 6 - 5340/2.1=1, ~5347=1 HA3 GLY 25 - HG12 ILE 124 lone 2 55 - 4 - HA LEU 24 - HG LEU 126 lone 2 65 - 3 - 4.0/7041=1 HA ASN 108 - HG12 ILE 124 lone 2 27 - 6 - 3.6/1327=1 HA PRO 37 - HG12 ILE 124 lone 1 27 - 4 - HB3 SER 72 - HG12 ILE 124 lone 1 32 - 3 - HA ALA 98 - HG LEU 126 lone 1 52 - 1 - HB3 SER 78 - HG LEU 126 lone 1 69 - 1 - HA PRO 37 - HG LEU 126 lone 1 40 - 1 - HA ASN 108 - HG LEU 126 lone 0 40 - 1 - HB3 SER 72 - HG LEU 126 lone 0 48 - 1 - Peak 3317 from cnoeabs.peaks (2.07, 1.58, 27.21 ppm; 3.82 A): 3 out of 45 assignments used, quality = 1.00: * HB2 ARG 57 + HG2 ARG 57 OK 100 100 - 100 - 3.0=100 HB ILE 63 + HG2 ARG 57 OK 60 99 - 61 - 3325/1.8=5, 3309/3.0=4...(38) HB3 ARG 81 + HG2 ARG 57 OK 49 83 - 59 - 1.8/4116=5, 3.5/3322=5...(34) HG3 PRO 60 - HG2 ARG 57 OK 41 68 - 61 - 2.3/3321=8, ~3329=6...(32) HB3 GLU 38 - HG2 ARG 57 OK 33 96 - 35 - 3303=3, 3325/1.8=3...(18) HG LEU 21 - HG2 ARG 57 OK 32 97 - 33 - 2.1/8502=8, ~7039=4...(14) HG3 PRO 37 - HG2 ARG 57 OK 26 78 - 33 - ~6682=3, ~6678=3...(18) HB2 GLN 105 - HG2 ARG 57 OK 18 100 - 18 - 4773/3.0=3, 3325/1.8=2...(7) HB2 ARG 57 - HG LEU 126 OK 14 78 - 18 - 4.2/267=2, 3303=2...(7) HB2 GLN 16 - HG2 ARG 57 OK 11 99 - 11 - 3333/2.9=1, 3325/1.8=1 HB3 GLN 16 - HG2 ARG 57 OK 11 99 - 11 - 3333/2.9=1 HB2 GLU 15 - HG2 ARG 57 OK 10 92 - 11 - ~8187=1, ~6318=1...(4) HB ILE 63 - HG12 ILE 124 poor 9 52 - 17 - 3511/3.2=2, 3506/4.0=2...(7) HB2 LEU 101 - HG2 ARG 57 poor 8 63 - 13 - ~7037=1 HB2 LEU 114 - HG2 ARG 57 lone 8 97 - 8 - HB2 ARG 57 - HG12 ILE 124 poor 6 55 - 11 - ~7037=1 HG2 GLU 64 - HG2 ARG 57 lone 6 100 - 6 - HB2 LEU 101 - HG12 ILE 124 poor 5 28 - 19 - ~8121=7, ~7731=2...(7) HG3 GLU 69 - HG2 ARG 57 lone 5 85 - 6 - HB ILE 63 - HG LEU 126 lone 5 75 - 7 - HG LEU 21 - HG LEU 126 lone 4 72 - 6 - 2.1/8502=1 HG3 PRO 60 - HG12 ILE 124 poor 4 31 - 13 - ~7091=2, ~7089=2...(4) HB3 ARG 81 - HG LEU 126 lone 4 58 - 6 - HB2 LEU 114 - HG LEU 126 lone 2 73 - 3 - HG3 PRO 60 - HG LEU 126 lone 2 46 - 5 - ~7089=2, ~7091=1 HB2 LEU 114 - HG12 ILE 124 lone 2 51 - 4 - HG LEU 21 - HG12 ILE 124 lone 2 50 - 4 - ~8121=2 HB3 ARG 81 - HG12 ILE 124 lone 2 39 - 4 - HB3 GLU 38 - HG LEU 126 lone 1 70 - 2 - HB2 LEU 101 - HG LEU 126 lone 1 42 - 3 - HB3 GLU 38 - HG12 ILE 124 lone 1 49 - 2 - HG2 GLU 64 - HG12 ILE 124 lone 1 55 - 2 - HB2 GLN 105 - HG12 ILE 124 lone 1 54 - 2 - HG2 GLU 64 - HG LEU 126 lone 1 78 - 1 - HB2 GLN 16 - HG LEU 126 lone 1 75 - 1 - HB3 GLN 16 - HG LEU 126 lone 1 75 - 1 - HG3 PRO 37 - HG12 ILE 124 lone 1 37 - 2 - HB2 GLN 105 - HG LEU 126 lone 1 77 - 1 - HG3 PRO 37 - HG LEU 126 lone 1 54 - 1 - HB2 GLN 16 - HG12 ILE 124 lone 1 53 - 1 - HB3 GLN 16 - HG12 ILE 124 lone 1 52 - 1 - HB2 GLU 15 - HG LEU 126 lone 1 66 - 1 - HG3 GLU 69 - HG LEU 126 lone 0 60 - 1 - HB2 GLU 15 - HG12 ILE 124 lone 0 46 - 1 - HG3 GLU 69 - HG12 ILE 124 lone 0 41 - 1 - Peak 3318 from cnoeabs.peaks (1.81, 1.58, 27.21 ppm; 3.25 A): 3 out of 42 assignments used, quality = 1.00: * HB3 ARG 57 + HG2 ARG 57 OK 100 100 - 100 - 3.0=100 HG13 ILE 63 + HG2 ARG 57 OK 48 99 - 48 - 3326/1.8=5, 3530=3...(28) HB2 PRO 60 + HG2 ARG 57 OK 47 98 - 48 - 3.0/3321=5, 3326/1.8=5...(24) HB2 PRO 37 - HG2 ARG 57 OK 20 68 - 29 - 6678/1.8=2, ~6682=2...(12) HB3 GLU 56 - HG2 ARG 57 OK 16 83 - 20 - 4.6/3315=3, 3294/3.6=2...(7) HG2 GLU 75 - HG2 ARG 57 OK 16 100 - 16 - 3326/1.8=2, ~3975=1...(8) HG LEU 41 - HG12 ILE 124 OK 14 39 - 36 - 2803/2.1=4, ~5368=4...(19) HG3 ARG 53 - HG2 ARG 57 OK 14 92 - 15 - 3326/1.8=1, 3342/2.9=1 HB3 GLN 105 - HG2 ARG 57 OK 12 99 - 12 - 3326/1.8=1, 4780/3.0=1 HB3 ARG 92 - HG2 ARG 57 OK 11 99 - 11 - 3326/1.8=1 HG3 ARG 53 - HG LEU 126 OK 11 66 - 16 - ~6971=2, ~6968=1...(4) HB3 ARG 57 - HG LEU 126 OK 10 78 - 13 - 4.2/267=1, 3.5/3321=1 HB2 LYS 32 - HG12 ILE 124 poor 7 31 - 22 - ~8117=3, 2500/1.8=2...(11) HG LEU 41 - HG2 ARG 57 lone 6 83 - 7 - HG LEU 41 - HG LEU 126 lone 5 58 - 9 - 2803/2.1=1 HG13 ILE 63 - HG12 ILE 124 lone 5 52 - 10 - 3532/3.2=2, 3527/4.0=1 HG13 ILE 63 - HG LEU 126 lone 5 75 - 6 - HB3 ARG 57 - HG12 ILE 124 lone 4 55 - 8 - 7037/3.2=1 HB2 PRO 60 - HG12 ILE 124 lone 4 52 - 8 - ~7091=1, ~7089=1 HB2 GLU 69 - HG2 ARG 57 lone 4 81 - 5 - HG2 GLU 73 - HG2 ARG 57 lone 3 68 - 4 - HG3 GLU 73 - HG2 ARG 57 lone 3 65 - 4 - HB3 ARG 92 - HG LEU 126 lone 3 76 - 3 - HB2 PRO 60 - HG LEU 126 lone 2 74 - 3 - HB3 GLU 56 - HG LEU 126 lone 2 58 - 3 - HB2 LYS 32 - HG2 ARG 57 lone 1 68 - 2 - HB2 PRO 37 - HG12 ILE 124 lone 1 31 - 3 - HB3 GLU 56 - HG12 ILE 124 lone 1 39 - 3 - HB2 LYS 32 - HG LEU 126 lone 1 46 - 2 - HG2 GLU 73 - HG12 ILE 124 lone 1 31 - 2 - HG3 GLU 73 - HG12 ILE 124 lone 1 29 - 2 - HG2 GLU 75 - HG LEU 126 lone 1 78 - 1 - HG3 ARG 53 - HG12 ILE 124 lone 0 46 - 1 - HB3 GLN 105 - HG LEU 126 lone 0 76 - 1 - HG2 GLU 75 - HG12 ILE 124 lone 0 55 - 1 - HB3 GLN 105 - HG12 ILE 124 lone 0 54 - 1 - HB2 PRO 37 - HG LEU 126 lone 0 46 - 1 - HB2 GLU 69 - HG LEU 126 lone 0 56 - 1 - HG2 GLU 73 - HG LEU 126 lone 0 46 - 1 - HB3 ARG 92 - HG12 ILE 124 lone 0 54 - 0 - HG3 GLU 73 - HG LEU 126 lone 0 44 - 1 - HB2 GLU 69 - HG12 ILE 124 lone 0 38 - 1 - Peak 3319 from cnoeabs.peaks (1.58, 1.58, 27.21 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 57 + HG2 ARG 57 OK 100 100 - 100 HG LEU 126 + HG LEU 126 OK 66 66 - 100 HG12 ILE 124 - HG12 ILE 124 OK 28 28 - 100 Peak 3320 from cnoeabs.peaks (1.47, 1.58, 27.21 ppm; 3.01 A): 1 out of 51 assignments used, quality = 1.00: * HG3 ARG 57 + HG2 ARG 57 OK 100 100 - 100 - 1.8=100 HG LEU 24 - HG2 ARG 57 OK 38 89 - 43 - 2.1/7041=12, ~6469=5...(17) HG2 LYS 119 - HG2 ARG 57 OK 21 99 - 21 - 3336/2.9=2, 3344/2.9=2...(8) HB3 GLU 75 - HG2 ARG 57 OK 15 89 - 17 - 3964/3.0=2, 7315/3.0=2...(6) HB3 LEU 58 - HG2 ARG 57 OK 13 83 - 16 - 3.9/5641=3, 8435/7041=2...(4) HB2 LEU 93 - HG12 ILE 124 OK 13 55 - 23 - 7609/1.8=3, ~8120=3...(11) HG3 ARG 57 - HG LEU 126 poor 8 78 - 11 - 3327=1, 2.9/3321=1 HB3 LEU 45 - HG2 ARG 57 lone 8 89 - 9 - QB ALA 14 - HG2 ARG 57 lone 8 100 - 8 - 6307/3.0=1, 6309/3.0=1 HD2 LYS 46 - HG12 ILE 124 poor 5 52 - 10 - ~5366=1, 2971/3.0=1, ~5373=1 HB3 LEU 45 - HG12 ILE 124 poor 5 43 - 12 - 2891/4.9=2, ~8269=2...(4) HB3 LEU 101 - HG2 ARG 57 lone 5 63 - 8 - HB2 LEU 93 - HG2 ARG 57 lone 5 100 - 5 - HD2 LYS 46 - HG2 ARG 57 lone 5 98 - 5 - HG LEU 93 - HG12 ILE 124 poor 4 32 - 13 - ~8120=2, ~7608=2...(6) HD3 LYS 65 - HG12 ILE 124 poor 4 34 - 12 - ~5365=1, ~8113=1, ~5372=1 HD2 LYS 65 - HG12 ILE 124 poor 4 34 - 12 - ~5365=1, ~8113=1, ~5372=1 HG3 LYS 31 - HG2 ARG 57 lone 4 100 - 4 - HG3 ARG 57 - HG12 ILE 124 lone 4 55 - 6 - HG2 LYS 109 - HG2 ARG 57 lone 3 95 - 4 - HG2 LYS 109 - HG12 ILE 124 lone 3 48 - 6 - HB3 LEU 101 - HG12 ILE 124 poor 3 28 - 10 - ~8121=4 HG2 LYS 119 - HG LEU 126 lone 2 75 - 3 - HG LEU 93 - HG2 ARG 57 lone 2 71 - 3 - HG LEU 24 - HG12 ILE 124 lone 2 43 - 5 - 2.1/7041=1 HD2 LYS 65 - HG2 ARG 57 lone 2 73 - 3 - HD3 LYS 65 - HG2 ARG 57 lone 2 73 - 3 - HB3 LEU 58 - HG LEU 126 lone 2 58 - 3 - 3.9/267=1 HG LEU 91 - HG2 ARG 57 lone 2 78 - 2 - QB ALA 89 - HG2 ARG 57 lone 1 65 - 2 - HG3 LYS 31 - HG LEU 126 lone 1 77 - 2 - QB ALA 14 - HG LEU 126 lone 1 78 - 1 - HG LEU 24 - HG LEU 126 lone 1 63 - 2 - HG3 LYS 31 - HG12 ILE 124 lone 1 55 - 2 - HB3 LEU 58 - HG12 ILE 124 lone 1 39 - 2 - QB ALA 14 - HG12 ILE 124 lone 1 55 - 1 - HB3 LEU 101 - HG LEU 126 lone 1 42 - 1 - HD2 LYS 46 - HG LEU 126 lone 1 74 - 1 - QB ALA 89 - HG LEU 126 lone 1 44 - 1 - HG2 LYS 119 - HG12 ILE 124 lone 1 53 - 1 - HG LEU 91 - HG12 ILE 124 lone 1 37 - 1 - HB2 LEU 93 - HG LEU 126 lone 0 78 - 1 - HB3 LEU 45 - HG LEU 126 lone 0 63 - 1 - HG LEU 91 - HG LEU 126 lone 0 54 - 1 - HB3 GLU 75 - HG LEU 126 lone 0 63 - 1 - HG2 LYS 109 - HG LEU 126 lone 0 69 - 0 - HB3 GLU 75 - HG12 ILE 124 lone 0 43 - 1 - HG LEU 93 - HG LEU 126 lone 0 48 - 0 - QB ALA 89 - HG12 ILE 124 lone 0 29 - 1 - HD3 LYS 65 - HG LEU 126 lone 0 50 - 0 - HD2 LYS 65 - HG LEU 126 lone 0 50 - 0 - Peak 3321 from cnoeabs.peaks (3.31, 1.58, 27.21 ppm; 4.03 A): 2 out of 9 assignments used, quality = 1.00: * HD2 ARG 57 + HG2 ARG 57 OK 100 100 - 100 - 2.9=100 HD3 PRO 60 + HG2 ARG 57 OK 53 76 - 69 - 3329/1.8=11, 3297/3.6=8...(33) HD3 ARG 85 - HG2 ARG 57 OK 22 87 - 24 - 3329/1.8=5, 8547/3.5=3...(11) HD2 ARG 57 - HG LEU 126 OK 13 78 - 16 - 3335=2, 1.8/3322=2...(4) HD3 PRO 60 - HG12 ILE 124 poor 5 35 - 15 - ~7091=3, 7089/2.1=3...(6) HD2 ARG 57 - HG12 ILE 124 lone 5 55 - 9 - HD3 PRO 60 - HG LEU 126 lone 3 52 - 6 - 7089/2.1=2, ~7091=2 HD3 ARG 85 - HG LEU 126 lone 1 61 - 1 - HD3 ARG 85 - HG12 ILE 124 lone 0 42 - 1 - Peak 3322 from cnoeabs.peaks (3.12, 1.58, 27.21 ppm; 3.81 A): 2 out of 30 assignments used, quality = 1.00: * HD3 ARG 57 + HG2 ARG 57 OK 100 100 - 100 - 2.9=100 HD3 ARG 81 + HG2 ARG 57 OK 64 99 - 65 - 3330/1.8=9, 4157=8...(33) HB3 CYS 52 - HG2 ARG 57 OK 22 99 - 22 - 3330/1.8=3, 8287/3.0=2...(13) HB3 ASP 100 - HG2 ARG 57 OK 21 99 - 21 - 7687/3.5=3, 3330/1.8=3...(11) HB2 PHE 107 - HG2 ARG 57 OK 14 95 - 15 - 3330/1.8=2, 3338/2.9=1...(7) HD2 ARG 92 - HG2 ARG 57 OK 13 73 - 17 - 3330/1.8=2, 3314/3.0=1...(5) HD3 ARG 57 - HG LEU 126 OK 12 78 - 16 - 1.8/3321=2, 3343=2, 2.9/3327=1 HD3 ARG 92 - HG2 ARG 57 OK 12 71 - 17 - 3330/1.8=2, 3314/3.0=1...(5) HB3 CYS 52 - HG LEU 126 OK 11 75 - 15 - 6951/2.1=2, ~5411=1...(7) HD3 ARG 53 - HG2 ARG 57 poor 10 60 - 17 - 3330/1.8=1, 6972/8220=1...(4) HB3 CYS 76 - HG2 ARG 57 lone 9 97 - 9 - 3330/1.8=1, ~3985=1 HD3 ARG 53 - HG LEU 126 poor 9 40 - 22 - ~6968=3, 6971/2.1=3...(9) HD3 ARG 81 - HG LEU 126 lone 5 76 - 6 - HD3 ARG 57 - HG12 ILE 124 lone 5 55 - 9 - HB2 PHE 107 - HG12 ILE 124 lone 3 48 - 5 - ~4806=1, ~7827=1 HD3 ARG 81 - HG12 ILE 124 lone 2 54 - 4 - HB2 PHE 107 - HG LEU 126 lone 1 69 - 2 - HB3 CYS 76 - HG12 ILE 124 lone 1 51 - 2 - HD2 ARG 92 - HG LEU 126 lone 1 50 - 2 - HD3 ARG 92 - HG LEU 126 lone 1 48 - 2 - HB2 HIS 10 - HG2 ARG 57 lone 1 63 - 1 - HB3 ASP 100 - HG LEU 126 lone 1 75 - 1 - HB3 CYS 52 - HG12 ILE 124 lone 1 52 - 1 - HB3 CYS 76 - HG LEU 126 lone 1 73 - 1 - HD3 ARG 53 - HG12 ILE 124 lone 1 27 - 2 - HB3 ASP 100 - HG12 ILE 124 lone 0 52 - 1 - HB2 HIS 10 - HG LEU 126 lone 0 42 - 1 - HD2 ARG 92 - HG12 ILE 124 lone 0 34 - 1 - HD3 ARG 92 - HG12 ILE 124 lone 0 32 - 1 - HB2 HIS 10 - HG12 ILE 124 lone 0 28 - 1 - Peak 3323 from cnoeabs.peaks (7.59, 1.47, 27.21 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.98: * H ARG 57 + HG3 ARG 57 OK 97 100 - 97 - 5.1=82, 1043/2.9=19...(18) H LYS 119 + HG3 ARG 57 OK 49 100 - 49 - 3315/1.8=7, 3331/2.9=6...(15) H SER 113 - HG3 ARG 57 OK 26 92 - 28 - 7926/3.5=5, 3339/2.9=4...(9) H CYS 52 - HG3 ARG 57 OK 24 78 - 31 - 3339/2.9=4, 3331/2.9=4...(11) H GLU 56 - HG3 ARG 57 OK 20 63 - 31 - 4.6/1042=7, 3331/2.9=3...(11) HD21 ASN 12 - HG3 ARG 57 poor 10 76 - 13 - 3331/2.9=1, 3339/2.9=1...(9) Peak 3324 from cnoeabs.peaks (4.11, 1.47, 27.21 ppm; 4.17 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 57 + HG3 ARG 57 OK 100 100 - 100 - 3.6=100 HA LEU 24 + HG3 ARG 57 OK 50 90 - 55 - 4.0/7039=8, 3332/2.9=7...(17) HA3 GLY 25 - HG3 ARG 57 OK 39 100 - 40 - ~6484=6, 3332/2.9=6...(11) HA ILE 63 - HG3 ARG 57 OK 38 73 - 52 - 3340/2.9=5, 3332/2.9=5...(23) HA PRO 37 - HG3 ARG 57 OK 22 60 - 37 - 2.3/6678=4, 3.6/6704=4...(18) HB3 SER 78 - HG3 ARG 57 lone 9 95 - 9 - 3340/2.9=1, 3332/2.9=1 HA ALA 98 - HG3 ARG 57 poor 8 76 - 10 - 3297/2.9=2, 3340/2.9=2 HA ILE 124 - HG3 ARG 57 lone 6 65 - 10 - ~7037=1 HA ASN 108 - HG3 ARG 57 lone 4 60 - 6 - HB3 SER 72 - HG3 ARG 57 lone 3 71 - 5 - Peak 3325 from cnoeabs.peaks (2.07, 1.47, 27.21 ppm; 3.89 A): 3 out of 15 assignments used, quality = 1.00: * HB2 ARG 57 + HG3 ARG 57 OK 100 100 - 100 - 3.0=100 HB ILE 63 + HG3 ARG 57 OK 62 99 - 63 - 3.0/3326=5, 3317/1.8=5...(40) HB3 ARG 81 + HG3 ARG 57 OK 53 83 - 65 - 3.5/3330=7, 2.9/3327=6...(38) HG3 PRO 60 - HG3 ARG 57 OK 43 68 - 63 - 2.3/3329=10, 2.3/3326=6...(32) HB3 GLU 38 - HG3 ARG 57 OK 39 96 - 41 - 3.0/6707=4, 3304=3...(21) HG LEU 21 - HG3 ARG 57 OK 33 97 - 34 - ~8502=7, 2.1/7039=6...(15) HG3 PRO 37 - HG3 ARG 57 OK 29 78 - 37 - 1.8/6682=5, 2.3/6678=4...(19) HB2 GLN 105 - HG3 ARG 57 OK 18 100 - 18 - 4773/3.0=3, 1.8/3326=2...(6) HB2 GLU 15 - HG3 ARG 57 OK 13 92 - 14 - 3.0/8187=2, 3.0/6318=2...(4) HB2 GLN 16 - HG3 ARG 57 OK 12 99 - 12 - 3333/2.9=1 HB3 GLN 16 - HG3 ARG 57 OK 12 99 - 12 - 3333/2.9=1 HB2 LEU 101 - HG3 ARG 57 poor 9 63 - 15 - ~7037=2 HB2 LEU 114 - HG3 ARG 57 lone 8 97 - 9 - HG2 GLU 64 - HG3 ARG 57 lone 6 100 - 6 - HG3 GLU 69 - HG3 ARG 57 lone 6 85 - 6 - Peak 3326 from cnoeabs.peaks (1.81, 1.47, 27.21 ppm; 3.59 A): 3 out of 14 assignments used, quality = 1.00: * HB3 ARG 57 + HG3 ARG 57 OK 100 100 - 100 - 3.0=100 HB2 PRO 60 + HG3 ARG 57 OK 55 98 - 57 - 3.0/3329=7, 3318/1.8=5...(33) HG13 ILE 63 + HG3 ARG 57 OK 55 99 - 56 - 3318/1.8=5, 1.8/3327=5...(31) HB2 PRO 37 - HG3 ARG 57 OK 27 68 - 40 - 2.3/6682=3, 6678=3...(12) HG2 GLU 75 - HG3 ARG 57 OK 23 100 - 24 - 1.8/3975=2, 3.0/3957=2...(13) HB3 GLU 56 - HG3 ARG 57 OK 21 83 - 26 - 4.6/3323=6, 3294/3.6=2...(8) HG3 ARG 53 - HG3 ARG 57 OK 17 92 - 18 - 3342/2.9=2, 3318/1.8=1...(6) HB3 GLN 105 - HG3 ARG 57 OK 16 99 - 16 - 1.8/3325=1, 4780/3.0=1...(6) HB3 ARG 92 - HG3 ARG 57 OK 15 99 - 15 - 3318/1.8=1, ~4425=1...(4) HG LEU 41 - HG3 ARG 57 poor 9 83 - 11 - 2.1/8263=1 HB2 GLU 69 - HG3 ARG 57 lone 5 81 - 6 - HG2 GLU 73 - HG3 ARG 57 lone 4 68 - 6 - HG3 GLU 73 - HG3 ARG 57 lone 4 65 - 6 - HB2 LYS 32 - HG3 ARG 57 lone 2 68 - 3 - Peak 3327 from cnoeabs.peaks (1.58, 1.47, 27.21 ppm; 2.82 A): 1 out of 10 assignments used, quality = 1.00: * HG2 ARG 57 + HG3 ARG 57 OK 100 100 - 100 - 1.8=100 HG2 ARG 81 - HG3 ARG 57 OK 42 100 - 42 - 3.0/3330=4, 3343/2.9=3...(25) HG3 ARG 81 - HG3 ARG 57 OK 42 100 - 42 - 3.0/3330=4, 3343/2.9=3...(25) HG12 ILE 63 - HG3 ARG 57 OK 28 78 - 36 - 1.8/3326=3, 3524/3.0=2...(23) HD2 LYS 119 - HG3 ARG 57 OK 18 90 - 20 - 5244=2, 1.8/5244=1...(6) HD3 LYS 119 - HG3 ARG 57 OK 18 89 - 20 - 5244=2, 1.8/5244=1...(6) HG LEU 126 - HG3 ARG 57 lone 8 92 - 8 - 3320=1 HB2 LEU 126 - HG3 ARG 57 lone 6 78 - 8 - HB3 LEU 126 - HG3 ARG 57 lone 6 76 - 8 - HG12 ILE 124 - HG3 ARG 57 lone 3 63 - 5 - Peak 3328 from cnoeabs.peaks (1.47, 1.47, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 57 + HG3 ARG 57 OK 100 100 - 100 Peak 3329 from cnoeabs.peaks (3.31, 1.47, 27.21 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 57 + HG3 ARG 57 OK 100 100 - 100 - 2.9=100 HD3 PRO 60 + HG3 ARG 57 OK 51 76 - 67 - 3321/1.8=10, 3297/3.6=8...(31) HD3 ARG 85 - HG3 ARG 57 OK 21 87 - 24 - 3321/1.8=4, 8547/3.5=3...(11) Peak 3330 from cnoeabs.peaks (3.12, 1.47, 27.21 ppm; 3.62 A): 2 out of 10 assignments used, quality = 1.00: * HD3 ARG 57 + HG3 ARG 57 OK 100 100 - 100 - 2.9=100 HD3 ARG 81 + HG3 ARG 57 OK 60 99 - 61 - 3338/2.9=7, 3322/1.8=7...(34) HB3 CYS 52 - HG3 ARG 57 OK 19 99 - 20 - 3322/1.8=2, 3338/2.9=2...(12) HB3 ASP 100 - HG3 ARG 57 OK 19 99 - 20 - 7687/3.5=3, 3322/1.8=2...(11) HB2 PHE 107 - HG3 ARG 57 OK 13 95 - 13 - 3322/1.8=1, 3338/2.9=1...(4) HD2 ARG 92 - HG3 ARG 57 OK 10 73 - 14 - 3322/1.8=1, 3314/3.0=1...(4) HD3 ARG 92 - HG3 ARG 57 OK 10 71 - 14 - 3322/1.8=1, 3314/3.0=1...(4) HD3 ARG 53 - HG3 ARG 57 poor 9 60 - 15 - 3.0/3326=1, 3322/1.8=1 HB3 CYS 76 - HG3 ARG 57 lone 9 97 - 9 - HB2 HIS 10 - HG3 ARG 57 lone 1 63 - 1 - Peak 3331 from cnoeabs.peaks (7.59, 3.31, 41.83 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.94: * H ARG 57 + HD2 ARG 57 OK 91 100 - 91 - 6.0=50, 3.0/3297=26...(17) H LYS 119 + HD2 ARG 57 OK 40 100 - 40 - 3339/1.8=7, 3323/2.9=7...(12) H SER 113 - HD2 ARG 57 OK 23 92 - 25 - 7926/2.9=5, 3339/1.8=5...(7) H CYS 52 - HD2 ARG 57 OK 23 78 - 30 - 3339/1.8=5, 3323/2.9=4...(13) H GLU 56 - HD2 ARG 57 OK 22 63 - 34 - 4.6/1043=14, 3339/1.8=4...(11) HD21 ASN 12 - HD2 ARG 57 poor 9 76 - 12 - 3339/1.8=2, 3323/2.9=1...(8) Peak 3332 from cnoeabs.peaks (4.11, 3.31, 41.83 ppm; 3.33 A): 5 out of 10 assignments used, quality = 0.91: * HA ARG 57 + HD2 ARG 57 OK 72 100 - 72 - 4.5=40, 3340/1.8=13...(17) HA LEU 24 + HD2 ARG 57 OK 33 90 - 37 - 3340/1.8=5, 4.0/6469=5...(15) HA3 GLY 25 + HD2 ARG 57 OK 27 100 - 28 - 3340/1.8=5, 5494/2.9=4...(11) HA ILE 63 + HD2 ARG 57 OK 24 73 - 33 - 3340/1.8=5, 3.7/3334=3...(15) HA PRO 37 + HD2 ARG 57 OK 11 60 - 18 - 3340/1.8=2, 2.3/3334=2...(9) HA ALA 98 - HD2 ARG 57 lone 7 76 - 9 - 3297=2, 3340/1.8=1 HB3 SER 78 - HD2 ARG 57 lone 5 95 - 5 - HA ILE 124 - HD2 ARG 57 lone 3 65 - 5 - HA ASN 108 - HD2 ARG 57 lone 3 60 - 4 - HB3 SER 72 - HD2 ARG 57 lone 2 71 - 2 - Peak 3333 from cnoeabs.peaks (2.07, 3.31, 41.83 ppm; 4.35 A): 4 out of 15 assignments used, quality = 1.00: * HB2 ARG 57 + HD2 ARG 57 OK 100 100 - 100 - 3.5=100 HB ILE 63 + HD2 ARG 57 OK 69 99 - 70 - ~7144=6, 3341/1.8=6...(41) HB3 ARG 81 + HD2 ARG 57 OK 60 83 - 73 - 3.5/3338=8, 2.9/3335=7...(40) HG3 PRO 60 + HD2 ARG 57 OK 48 68 - 70 - 2.3/3465=7, 1.8/3472=7...(33) HG LEU 21 - HD2 ARG 57 OK 37 97 - 38 - ~8502=6, ~7039=4...(18) HB3 GLU 38 - HD2 ARG 57 OK 36 96 - 38 - 3305=6, ~6076=3...(17) HG3 PRO 37 - HD2 ARG 57 OK 30 78 - 38 - ~6682=3, 2.3/3334=3...(22) HB2 GLN 16 - HD2 ARG 57 OK 29 99 - 29 - 4.5/7046=20, 3341/1.8=1 HB3 GLN 16 - HD2 ARG 57 OK 29 99 - 29 - 4.5/7046=20, 3341/1.8=1 HB2 GLN 105 - HD2 ARG 57 OK 21 100 - 21 - 4773/3.5=3, 3341/1.8=2...(9) HB2 GLU 15 - HD2 ARG 57 OK 12 92 - 13 - ~6318=1, ~8187=1...(4) HB2 LEU 101 - HD2 ARG 57 OK 11 63 - 18 - ~7037=2, 1.8/3336=1...(5) HB2 LEU 114 - HD2 ARG 57 lone 9 97 - 10 - HG2 GLU 64 - HD2 ARG 57 lone 6 100 - 6 - HG3 GLU 69 - HD2 ARG 57 lone 6 85 - 7 - Peak 3334 from cnoeabs.peaks (1.81, 3.31, 41.83 ppm; 4.01 A): 3 out of 14 assignments used, quality = 1.00: * HB3 ARG 57 + HD2 ARG 57 OK 100 100 - 100 - 3.5=100 HB2 PRO 60 + HD2 ARG 57 OK 64 98 - 65 - 3342/1.8=7, 1.8/3465=6...(34) HG13 ILE 63 + HD2 ARG 57 OK 61 99 - 62 - 3342/1.8=6, 3326/2.9=5...(32) HB2 PRO 37 - HD2 ARG 57 OK 27 68 - 40 - 3342/1.8=3, 6678/2.9=3...(20) HB3 GLU 56 - HD2 ARG 57 OK 27 83 - 33 - 4.6/1043=10, 3313=3...(9) HG2 GLU 75 - HD2 ARG 57 OK 22 100 - 22 - 3.0/3336=2, 3326/2.9=2...(13) HG3 ARG 53 - HD2 ARG 57 OK 21 92 - 22 - 3342/1.8=2, 3326/2.9=2...(8) HB3 ARG 92 - HD2 ARG 57 OK 18 99 - 18 - 3342/1.8=2, 3326/2.9=1...(8) HB3 GLN 105 - HD2 ARG 57 OK 17 99 - 17 - 3342/1.8=2, 3326/2.9=1...(8) HG LEU 41 - HD2 ARG 57 poor 8 83 - 10 - HB2 GLU 69 - HD2 ARG 57 lone 5 81 - 7 - HG2 GLU 73 - HD2 ARG 57 lone 4 68 - 7 - HG3 GLU 73 - HD2 ARG 57 lone 4 65 - 6 - HB2 LYS 32 - HD2 ARG 57 lone 2 68 - 3 - Peak 3335 from cnoeabs.peaks (1.58, 3.31, 41.83 ppm; 3.69 A): 3 out of 10 assignments used, quality = 1.00: * HG2 ARG 57 + HD2 ARG 57 OK 100 100 - 100 - 2.9=100 HG2 ARG 81 + HD2 ARG 57 OK 65 100 - 66 - 3.0/3338=7, 3343/1.8=7...(40) HG3 ARG 81 + HD2 ARG 57 OK 65 100 - 66 - 3.0/3338=7, 3343/1.8=7...(40) HG12 ILE 63 - HD2 ARG 57 OK 43 78 - 55 - 1.8/3334=5, 3343/1.8=4...(32) HD2 LYS 119 - HD2 ARG 57 OK 26 90 - 29 - 3.0/3336=3, 3343/1.8=3...(12) HD3 LYS 119 - HD2 ARG 57 OK 25 89 - 29 - 3.0/3336=3, 3343/1.8=3...(12) HG LEU 126 - HD2 ARG 57 OK 12 92 - 13 - 3321=2, 3322/1.8=1, 3327/2.9=1 HB2 LEU 126 - HD2 ARG 57 OK 11 78 - 14 - 3.0/3321=2, 3343/1.8=1 HB3 LEU 126 - HD2 ARG 57 OK 11 76 - 14 - 3.0/3321=2, 3343/1.8=1 HG12 ILE 124 - HD2 ARG 57 lone 5 63 - 8 - 3321=1 Peak 3336 from cnoeabs.peaks (1.47, 3.31, 41.83 ppm; 3.56 A): 2 out of 17 assignments used, quality = 1.00: * HG3 ARG 57 + HD2 ARG 57 OK 100 100 - 100 - 2.9=100 HG LEU 24 + HD2 ARG 57 OK 50 89 - 56 - ~7041=10, 2.1/6469=9...(22) HG2 LYS 119 - HD2 ARG 57 OK 26 99 - 26 - 3344/1.8=3, 4.9/3331=2...(11) HB3 GLU 75 - HD2 ARG 57 OK 18 89 - 20 - 3344/1.8=3, 3964/3.5=2...(7) HB3 LEU 58 - HD2 ARG 57 OK 12 83 - 15 - 3344/1.8=2, 3320/2.9=1...(7) HB3 LEU 45 - HD2 ARG 57 OK 10 89 - 12 - 3344/1.8=1, 3.1/7042=1 QB ALA 14 - HD2 ARG 57 lone 10 100 - 10 - 6307/3.5=2, 6309/3.5=1 HB3 LEU 101 - HD2 ARG 57 poor 7 63 - 12 - 3344/1.8=1, ~7037=1 HB2 LEU 93 - HD2 ARG 57 lone 6 100 - 6 - HD2 LYS 46 - HD2 ARG 57 lone 5 98 - 5 - HG2 LYS 109 - HD2 ARG 57 lone 5 95 - 5 - HG3 LYS 31 - HD2 ARG 57 lone 4 100 - 4 - HG LEU 93 - HD2 ARG 57 lone 3 71 - 4 - HD3 LYS 65 - HD2 ARG 57 lone 3 73 - 3 - HD2 LYS 65 - HD2 ARG 57 lone 3 73 - 3 - HG LEU 91 - HD2 ARG 57 lone 2 78 - 3 - QB ALA 89 - HD2 ARG 57 lone 1 65 - 2 - Peak 3337 from cnoeabs.peaks (3.31, 3.31, 41.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 57 + HD2 ARG 57 OK 100 100 - 100 Peak 3338 from cnoeabs.peaks (3.12, 3.31, 41.83 ppm; 2.60 A): 1 out of 10 assignments used, quality = 1.00: * HD3 ARG 57 + HD2 ARG 57 OK 100 100 - 100 - 1.8=100 HD3 ARG 81 - HD2 ARG 57 OK 33 99 - 33 - 3330/2.9=3, 8548/2.9=3...(13) HB3 ASP 100 - HD2 ARG 57 lone 9 99 - 9 - 7687/2.9=1, 3330/2.9=1 HB3 CYS 52 - HD2 ARG 57 lone 9 99 - 9 - ~3116=1, 3330/2.9=1 HB2 PHE 107 - HD2 ARG 57 lone 6 95 - 6 - HD2 ARG 92 - HD2 ARG 57 lone 5 73 - 7 - HD3 ARG 92 - HD2 ARG 57 lone 5 71 - 7 - HD3 ARG 53 - HD2 ARG 57 lone 4 60 - 6 - HB3 CYS 76 - HD2 ARG 57 lone 4 97 - 4 - HB2 HIS 10 - HD2 ARG 57 lone 0 63 - 1 - Peak 3339 from cnoeabs.peaks (7.59, 3.12, 41.83 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.95: * H ARG 57 + HD3 ARG 57 OK 92 100 - 92 - 6.0=50, 1043/1.8=23...(19) H LYS 119 + HD3 ARG 57 OK 40 100 - 40 - 3331/1.8=8, 3323/2.9=7...(12) H CYS 52 - HD3 ARG 57 OK 29 78 - 38 - 3.0/3112=5, 1008=4...(15) H SER 113 - HD3 ARG 57 OK 25 92 - 28 - 7926/2.9=5, 3331/1.8=5...(8) H GLU 56 - HD3 ARG 57 OK 21 63 - 33 - 4.6/1044=9, 3331/1.8=4...(12) HD21 ASN 12 - HD3 ARG 57 poor 9 76 - 12 - 3331/1.8=2, 3323/2.9=1...(8) Peak 3340 from cnoeabs.peaks (4.11, 3.12, 41.83 ppm; 3.43 A): 5 out of 10 assignments used, quality = 0.93: * HA ARG 57 + HD3 ARG 57 OK 77 100 - 77 - 4.5=43, 3297/1.8=21...(20) HA LEU 24 + HD3 ARG 57 OK 32 90 - 35 - 3332/1.8=7, 6471/2.9=4...(15) HA3 GLY 25 + HD3 ARG 57 OK 29 100 - 29 - 3332/1.8=5, 5494/2.9=4...(11) HA ILE 63 + HD3 ARG 57 OK 27 73 - 37 - 3332/1.8=5, 3.2/7144=4...(18) HA PRO 37 + HD3 ARG 57 OK 12 60 - 20 - 3332/1.8=2, 2.3/3342=2...(9) HA ALA 98 - HD3 ARG 57 poor 8 76 - 10 - 3297/1.8=2, 3298=1 HB3 SER 78 - HD3 ARG 57 lone 5 95 - 6 - HA ILE 124 - HD3 ARG 57 lone 4 65 - 5 - HA ASN 108 - HD3 ARG 57 lone 3 60 - 5 - HB3 SER 72 - HD3 ARG 57 lone 2 71 - 2 - Peak 3341 from cnoeabs.peaks (2.07, 3.12, 41.83 ppm; 4.22 A): 4 out of 15 assignments used, quality = 1.00: * HB2 ARG 57 + HD3 ARG 57 OK 100 100 - 100 - 3.5=100 HB ILE 63 + HD3 ARG 57 OK 68 99 - 69 - 2.1/7144=7, 3.0/3342=5...(41) HB3 ARG 81 + HD3 ARG 57 OK 60 83 - 73 - 1.8/4119=8, 2.9/3343=7...(41) HG3 PRO 60 + HD3 ARG 57 OK 47 68 - 69 - 2.3/3345=8, 2.3/3342=6...(33) HB3 GLU 38 - HD3 ARG 57 OK 36 96 - 38 - 3305/1.8=5, 3306=4...(18) HG LEU 21 - HD3 ARG 57 OK 34 97 - 36 - ~8502=6, ~7039=4...(16) HG3 PRO 37 - HD3 ARG 57 OK 28 78 - 36 - ~6682=3, 2.3/3342=3...(20) HB2 GLN 105 - HD3 ARG 57 OK 22 100 - 22 - 4773/3.5=3, 4.1/7786=2...(9) HB2 GLN 16 - HD3 ARG 57 OK 13 99 - 13 - 3333/1.8=2, ~3333=2 HB3 GLN 16 - HD3 ARG 57 OK 13 99 - 13 - 3333/1.8=2, ~3333=2 HB2 LEU 101 - HD3 ARG 57 OK 12 63 - 19 - 4.0/498=2, ~7037=2...(4) HB2 GLU 15 - HD3 ARG 57 OK 10 92 - 11 - ~6318=1, ~8187=1...(4) HB2 LEU 114 - HD3 ARG 57 lone 9 97 - 9 - HG2 GLU 64 - HD3 ARG 57 lone 6 100 - 6 - HG3 GLU 69 - HD3 ARG 57 lone 6 85 - 7 - Peak 3342 from cnoeabs.peaks (1.81, 3.12, 41.83 ppm; 3.81 A): 3 out of 14 assignments used, quality = 1.00: * HB3 ARG 57 + HD3 ARG 57 OK 100 100 - 100 - 3.5=100 HB2 PRO 60 + HD3 ARG 57 OK 59 98 - 60 - 3.0/3345=7, 3334/1.8=6...(33) HG13 ILE 63 + HD3 ARG 57 OK 58 99 - 59 - 3334/1.8=6, 3.2/7144=5...(32) HB2 PRO 37 - HD3 ARG 57 OK 25 68 - 36 - 6678/2.9=2, 3334/1.8=2...(15) HB3 GLU 56 - HD3 ARG 57 OK 22 83 - 27 - 4.6/3339=6, 3334/1.8=2...(9) HG3 ARG 53 - HD3 ARG 57 OK 22 92 - 24 - 3334/1.8=2, 5.0/234=2...(7) HG2 GLU 75 - HD3 ARG 57 OK 20 100 - 20 - 3.0/3344=2, 3326/2.9=2...(12) HB3 GLN 105 - HD3 ARG 57 OK 17 99 - 17 - 4.1/7786=2, 3334/1.8=2...(7) HB3 ARG 92 - HD3 ARG 57 OK 15 99 - 15 - 3334/1.8=2, 3326/2.9=1...(6) HG LEU 41 - HD3 ARG 57 lone 8 83 - 9 - HG2 GLU 73 - HD3 ARG 57 lone 6 68 - 8 - 4.1/6082=2 HG3 GLU 73 - HD3 ARG 57 lone 5 65 - 8 - 4.1/6082=2 HB2 GLU 69 - HD3 ARG 57 lone 5 81 - 6 - HB2 LYS 32 - HD3 ARG 57 lone 2 68 - 2 - Peak 3343 from cnoeabs.peaks (1.58, 3.12, 41.83 ppm; 3.55 A): 3 out of 10 assignments used, quality = 1.00: * HG2 ARG 57 + HD3 ARG 57 OK 100 100 - 100 - 2.9=100 HG2 ARG 81 + HD3 ARG 57 OK 65 100 - 65 - 3335/1.8=6, 3327/2.9=5...(41) HG3 ARG 81 + HD3 ARG 57 OK 65 100 - 65 - 3335/1.8=6, 3327/2.9=5...(41) HG12 ILE 63 - HD3 ARG 57 OK 41 78 - 53 - 1.8/3342=5, 3.2/7144=4...(30) HD2 LYS 119 - HD3 ARG 57 OK 24 90 - 27 - 3.0/3344=3, 3335/1.8=2...(12) HD3 LYS 119 - HD3 ARG 57 OK 24 89 - 27 - 3.0/3344=3, 3335/1.8=2...(12) HG LEU 126 - HD3 ARG 57 OK 12 92 - 12 - 3321/1.8=2, 3322=2 HB2 LEU 126 - HD3 ARG 57 OK 10 78 - 13 - 3335/1.8=1 HB3 LEU 126 - HD3 ARG 57 poor 10 76 - 12 - 3335/1.8=1 HG12 ILE 124 - HD3 ARG 57 lone 5 63 - 7 - Peak 3344 from cnoeabs.peaks (1.47, 3.12, 41.83 ppm; 3.68 A): 2 out of 17 assignments used, quality = 1.00: * HG3 ARG 57 + HD3 ARG 57 OK 100 100 - 100 - 2.9=100 HG LEU 24 + HD3 ARG 57 OK 52 89 - 59 - ~7041=11, ~6469=10...(23) HG2 LYS 119 - HD3 ARG 57 OK 27 99 - 28 - 3336/1.8=4, 4.9/3339=2...(11) HB3 GLU 75 - HD3 ARG 57 OK 20 89 - 23 - 3336/1.8=3, 3964/3.5=3...(8) HB3 LEU 58 - HD3 ARG 57 OK 12 83 - 15 - 3336/1.8=2, 3320/2.9=1...(9) QB ALA 14 - HD3 ARG 57 OK 11 100 - 11 - 6307/3.5=2, 6309/3.5=2 HB3 LEU 45 - HD3 ARG 57 OK 11 89 - 12 - 3336/1.8=2 HB3 LEU 101 - HD3 ARG 57 poor 9 63 - 15 - 4.0/498=2, ~7037=1, 3336/1.8=1 HB2 LEU 93 - HD3 ARG 57 lone 6 100 - 6 - HD2 LYS 46 - HD3 ARG 57 lone 6 98 - 6 - HG2 LYS 109 - HD3 ARG 57 lone 5 95 - 5 - HG3 LYS 31 - HD3 ARG 57 lone 4 100 - 4 - HG LEU 93 - HD3 ARG 57 lone 3 71 - 5 - HD3 LYS 65 - HD3 ARG 57 lone 3 73 - 4 - HD2 LYS 65 - HD3 ARG 57 lone 3 73 - 4 - HG LEU 91 - HD3 ARG 57 lone 2 78 - 3 - QB ALA 89 - HD3 ARG 57 lone 1 65 - 2 - Peak 3345 from cnoeabs.peaks (3.31, 3.12, 41.83 ppm; 2.54 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 57 + HD3 ARG 57 OK 100 100 - 100 - 1.8=100 HD3 PRO 60 - HD3 ARG 57 OK 23 76 - 30 - 3329/2.9=3, 3321/2.9=3...(15) HD3 ARG 85 - HD3 ARG 57 lone 8 87 - 10 - 3329/2.9=1, 8547/2.9=1 Peak 3346 from cnoeabs.peaks (3.12, 3.12, 41.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 57 + HD3 ARG 57 OK 100 100 - 100 Peak 3347 from cnoeabs.peaks (7.72, 4.25, 56.62 ppm; 3.77 A): 1 out of 21 assignments used, quality = 1.00: * H LEU 58 + HA LEU 58 OK 100 100 - 100 - 3.0=100 H ASN 118 - HA LEU 58 OK 27 93 - 29 - 271/3.6=8, 3382/4.0=4...(8) H LEU 58 - HA GLU 64 OK 22 82 - 27 - 1046=6, 3.9/3355=3...(12) H SER 90 - HA LEU 58 OK 21 100 - 21 - 437=6, 271/3.6=3...(8) H LEU 111 - HA LEU 58 OK 14 76 - 19 - 3354/3.0=2, 3382/4.0=2...(10) H LEU 58 - HA GLU 94 OK 12 69 - 18 - 1046=3, 3.9/3355=2...(8) H LEU 126 - HA LEU 58 OK 11 100 - 11 - 271/3.6=3, 3354/3.0=2...(6) HE21 GLN 103 - HA LEU 58 OK 10 95 - 11 - 3354/3.0=1, 752=1, 3382/4.0=1 H LEU 91 - HA LEU 58 OK 10 73 - 14 - 4.6/437=2, 271/3.6=2...(6) HE21 GLN 103 - HA GLU 64 poor 9 73 - 13 - 7763/3.6=5, 3.5/4749=2...(4) HE21 GLN 103 - HA GLU 94 lone 6 61 - 10 - 3.5/4749=2, 3.5/4741=2...(5) H SER 90 - HA GLU 64 lone 3 82 - 3 - H ASN 118 - HA GLU 64 lone 2 71 - 3 - H LEU 111 - HA GLU 64 lone 2 55 - 3 - H ASN 118 - HA GLU 94 lone 2 59 - 3 - H SER 90 - HA GLU 94 lone 1 69 - 2 - H LEU 111 - HA GLU 94 lone 1 45 - 3 - H LEU 126 - HA GLU 94 lone 1 69 - 1 - H LEU 91 - HA GLU 64 lone 1 53 - 2 - H LEU 126 - HA GLU 64 lone 1 82 - 1 - H LEU 91 - HA GLU 94 lone 1 43 - 2 - Peak 3348 from cnoeabs.peaks (4.25, 4.25, 56.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 58 + HA LEU 58 OK 100 100 - 100 HA GLU 64 + HA GLU 64 OK 80 80 - 100 HA GLU 94 + HA GLU 94 OK 53 53 - 100 Peak 3349 from cnoeabs.peaks (1.87, 4.25, 56.62 ppm; 3.35 A): 1 out of 33 assignments used, quality = 1.00: * HB2 LEU 58 + HA LEU 58 OK 100 100 - 100 - 3.0=100 HB3 LYS 109 - HA LEU 58 OK 44 99 - 45 - 4904/3.0=4, 1047/3.0=4...(24) HB2 LYS 119 - HA LEU 58 OK 28 95 - 30 - 5915/3.6=4, 1047/3.0=4...(12) HB3 LYS 31 - HA LEU 58 OK 23 95 - 24 - 273/3.6=2, 3363/3.0=2...(9) HB2 LEU 58 - HA GLU 64 OK 19 82 - 23 - 3355=3, 1.8/3362=2...(11) HG LEU 55 - HA LEU 58 OK 17 96 - 18 - 273/3.6=3, 1047/3.0=2...(7) HB2 ARG 92 - HA LEU 58 OK 15 100 - 15 - 1047/3.0=2, 4427/3.0=2...(6) HB2 LEU 58 - HA GLU 94 OK 15 69 - 22 - 3355=3, 1.8/3362=2...(9) HG12 ILE 22 - HA LEU 58 OK 11 76 - 14 - 8477/4.0=2, 8477/4.0=2, ~7056=1 HG3 PRO 68 - HA GLU 94 poor 9 69 - 13 - ~4522=1, 2.3/4514=1 HB3 GLU 28 - HA LEU 58 lone 6 100 - 6 - HB3 GLU 28 - HA GLU 64 lone 6 82 - 7 - 3.0/3565=1, 3.0/3565=1, ~3564=1 HG3 PRO 68 - HA LEU 58 lone 5 100 - 4 - HG LEU 84 - HA LEU 58 lone 4 90 - 5 - HG LEU 55 - HA GLU 94 lone 4 62 - 6 - ~8498=1, ~464=1 HB VAL 50 - HA LEU 58 lone 3 95 - 4 - HB VAL 50 - HA GLU 94 lone 3 61 - 5 - 5602/3.6=1, ~6919=1 HB3 LYS 109 - HA GLU 64 lone 3 80 - 3 - HG LEU 84 - HA GLU 64 lone 3 68 - 4 - ~7482=1 HB2 LYS 119 - HA GLU 64 lone 2 73 - 3 - HB3 GLU 28 - HA GLU 94 lone 2 69 - 3 - HB3 LYS 109 - HA GLU 94 lone 2 67 - 3 - HG LEU 84 - HA GLU 94 lone 2 56 - 3 - ~463=1 HB3 LYS 31 - HA GLU 94 lone 2 61 - 3 - HB2 LYS 119 - HA GLU 94 lone 2 61 - 2 - HB2 ARG 92 - HA GLU 94 lone 1 68 - 2 - HG LEU 55 - HA GLU 64 lone 1 74 - 2 - HG3 PRO 68 - HA GLU 64 lone 1 82 - 2 - HG12 ILE 22 - HA GLU 64 lone 1 55 - 2 - HB3 LYS 31 - HA GLU 64 lone 1 73 - 1 - HG12 ILE 22 - HA GLU 94 lone 1 45 - 2 - HB2 ARG 92 - HA GLU 64 lone 1 81 - 1 - HB VAL 50 - HA GLU 64 lone 0 73 - 1 - Peak 3350 from cnoeabs.peaks (1.49, 4.25, 56.62 ppm; 3.45 A): 1 out of 45 assignments used, quality = 1.00: * HB3 LEU 58 + HA LEU 58 OK 100 100 - 100 - 3.0=100 HB2 LEU 24 - HA LEU 58 OK 36 85 - 42 - ~8435=5, ~6478=5...(20) HG2 LYS 109 - HA LEU 58 OK 34 99 - 35 - 2.9/3349=4, 3357/3.0=3...(18) HG LEU 93 - HA LEU 58 OK 26 100 - 26 - 7601/4.0=3, 3.0/8305=2...(12) HG LEU 93 - HA GLU 94 OK 25 68 - 37 - 462/3.0=7, ~461=5...(12) HB2 LEU 93 - HA LEU 58 OK 22 78 - 28 - 1.8/8305=3, ~8304=2...(14) HB2 LEU 93 - HA GLU 94 OK 22 47 - 47 - ~461=9, 460/3.0=8...(15) HG3 ARG 57 - HA LEU 58 OK 20 83 - 25 - ~266=4, ~5641=3, ~265=3...(8) HB3 LEU 58 - HA GLU 64 OK 20 82 - 24 - 1.8/3355=3, 3362=3...(11) HG LEU 91 - HA LEU 58 OK 17 100 - 17 - 7601/4.0=2, 1048/3.0=1...(8) HB3 LEU 58 - HA GLU 94 OK 15 69 - 22 - 1.8/3355=3, 462/3.0=3...(8) HG3 LYS 31 - HA LEU 58 OK 15 73 - 21 - 1.8/8305=2, 2.9/3349=2...(8) HG2 LYS 119 - HA LEU 58 OK 13 65 - 21 - 2.9/3349=2, 268/3.0=2...(8) HB3 LEU 114 - HA LEU 58 OK 13 95 - 14 - 274/3.6=1, ~6241=1...(5) HG3 ARG 92 - HA LEU 58 OK 11 81 - 14 - 3.0/3349=1, 3357/3.0=1 HG2 ARG 92 - HA LEU 58 OK 10 76 - 14 - 3.0/3349=1, 4448/3.0=1 HG2 ARG 85 - HA LEU 58 OK 10 97 - 10 - 274/3.6=1, 3357/3.0=1 HB3 LEU 114 - HA GLU 94 poor 8 61 - 13 - 462/3.0=2, 5074/2.9=1 HG2 ARG 85 - HA GLU 94 poor 7 63 - 11 - 462/3.0=2, 3.0/4525=1 HG LEU 91 - HA GLU 94 lone 7 69 - 10 - 462/3.0=3, ~464=2, ~463=2 HG LEU 93 - HA GLU 64 lone 3 81 - 4 - HB2 LEU 93 - HA GLU 64 lone 3 57 - 5 - 4.4/1238=1 QB ALA 14 - HA LEU 58 lone 3 78 - 3 - HB3 LEU 114 - HA GLU 64 lone 2 73 - 3 - HG2 LYS 109 - HA GLU 64 lone 2 79 - 3 - HG2 ARG 85 - HA GLU 64 lone 2 75 - 3 - HD2 LYS 46 - HA LEU 58 lone 2 60 - 4 - HG3 ARG 57 - HA GLU 64 lone 2 61 - 3 - QB ALA 14 - HA GLU 64 lone 2 57 - 3 - HG LEU 91 - HA GLU 64 lone 2 82 - 2 - HG2 LYS 109 - HA GLU 94 lone 2 66 - 2 - HG3 ARG 92 - HA GLU 94 lone 1 48 - 3 - HG3 LYS 31 - HA GLU 94 lone 1 43 - 3 - ~461=1 HG2 ARG 92 - HA GLU 94 lone 1 45 - 3 - HB2 LEU 24 - HA GLU 64 lone 1 63 - 2 - QB ALA 14 - HA GLU 94 lone 1 47 - 2 - HB2 LEU 24 - HA GLU 94 lone 1 52 - 2 - HG2 LYS 119 - HA GLU 64 lone 1 47 - 2 - HG2 LYS 119 - HA GLU 94 lone 1 38 - 2 - HD2 LYS 46 - HA GLU 94 lone 1 34 - 2 - HD2 LYS 46 - HA GLU 64 lone 1 42 - 2 - HG3 ARG 57 - HA GLU 94 lone 1 50 - 1 - HG3 LYS 31 - HA GLU 64 lone 1 53 - 1 - HG3 ARG 92 - HA GLU 64 lone 0 59 - 1 - HG2 ARG 92 - HA GLU 64 lone 0 55 - 1 - Peak 3351 from cnoeabs.peaks (1.93, 4.25, 56.62 ppm; 2.82 A): 4 out of 57 assignments used, quality = 0.98: HB3 GLU 64 + HA GLU 64 OK 73 81 - 90 - 3.0=82, 3552/2.9=8...(17) HB2 GLU 64 + HA GLU 64 OK 73 81 - 90 - 3.0=82, 3552/2.9=8...(17) * HG LEU 58 + HA LEU 58 OK 56 100 - 56 - 4.3=29, 2.1/3376=9...(12) HB3 GLU 94 + HA GLU 94 OK 45 48 - 93 - 2.9=88, 5809/3.6=7...(14) HB2 LYS 109 - HA LEU 58 OK 32 100 - 32 - 4893/3.0=5, 1.8/3349=3...(18) HB3 LYS 119 - HA LEU 58 OK 18 97 - 19 - 5916/3.6=2, 1049/3.0=2...(8) HB3 GLU 64 - HA LEU 58 OK 17 100 - 17 - 3553=2, 1.8/3553=2...(5) HB2 GLU 64 - HA LEU 58 OK 17 100 - 17 - 3553=2, 1.8/3553=2...(5) HB2 LEU 21 - HA LEU 58 OK 15 99 - 16 - ~7054=2, 1049/3.0=2...(5) HB ILE 80 - HA LEU 58 OK 11 97 - 11 - 2.1/8351=1, 3386/4.0=1...(5) HG LEU 58 - HA GLU 64 OK 10 82 - 12 - 2.1/3376=2, 3.0/3355=2...(5) HB3 GLU 64 - HA GLU 94 poor 9 68 - 13 - 3547=2, 1.8/3547=1, 4.0/1074=1 HB2 GLU 64 - HA GLU 94 poor 9 68 - 13 - 3547=2, 1.8/3547=1, 4.0/1074=1 HG LEU 58 - HA GLU 94 poor 9 69 - 13 - 2.1/3376=2, 3.0/3355=1...(7) HB3 GLU 94 - HA LEU 58 lone 8 81 - 10 - 1.8/4519=1, 4.0/1238=1, 4525=1 HB2 GLU 38 - HA GLU 64 poor 8 78 - 10 - 1075/2.9=1 HB3 GLU 94 - HA GLU 64 poor 8 59 - 13 - 1.8/4519=2, 4525=2...(4) HB3 ARG 85 - HA GLU 94 poor 7 58 - 12 - 1240/3.0=1, 1.8/4525=1 HB2 ARG 85 - HA GLU 94 poor 7 58 - 12 - 1240/3.0=1, 1.8/4525=1 HB2 GLU 38 - HA GLU 94 poor 6 65 - 10 - 1240/3.0=1 HB3 ARG 85 - HA LEU 58 lone 6 92 - 7 - HB2 ARG 85 - HA LEU 58 lone 6 92 - 7 - HB ILE 22 - HA LEU 58 lone 6 76 - 7 - HB2 GLU 38 - HA LEU 58 lone 5 98 - 6 - HB3 PRO 30 - HA LEU 58 lone 4 92 - 4 - HB2 LEU 21 - HA GLU 64 lone 4 80 - 4 - HB3 GLU 69 - HA GLU 64 lone 3 75 - 4 - HB3 MET 11 - HA LEU 58 lone 3 90 - 3 - HB ILE 80 - HA GLU 94 lone 2 64 - 4 - ~7615=1 HB3 GLU 69 - HA LEU 58 lone 2 97 - 2 - HB2 LYS 109 - HA GLU 64 lone 2 81 - 3 - HB ILE 80 - HA GLU 64 lone 2 77 - 3 - HB2 GLU 28 - HA GLU 64 lone 2 45 - 5 - HB2 GLU 28 - HA LEU 58 lone 2 63 - 3 - HB2 ARG 81 - HA LEU 58 lone 2 73 - 3 - HB2 ARG 81 - HA GLU 64 lone 2 53 - 3 - HB3 ARG 85 - HA GLU 64 lone 2 70 - 2 - HB2 ARG 85 - HA GLU 64 lone 2 70 - 2 - HB3 GLU 73 - HA LEU 58 lone 2 81 - 2 - HB3 LYS 119 - HA GLU 64 lone 1 75 - 2 - HB2 LEU 84 - HA LEU 58 lone 1 60 - 2 - HB3 PRO 30 - HA GLU 64 lone 1 70 - 2 - HB2 LYS 109 - HA GLU 94 lone 1 68 - 2 - HB3 LYS 119 - HA GLU 94 lone 1 63 - 2 - HB ILE 22 - HA GLU 64 lone 1 55 - 2 - HB2 LEU 84 - HA GLU 64 lone 1 42 - 2 - HB3 MET 11 - HA GLU 94 lone 1 56 - 1 - HB2 LEU 84 - HA GLU 94 lone 1 34 - 2 - HB3 GLU 69 - HA GLU 94 lone 1 63 - 1 - HB3 PRO 30 - HA GLU 94 lone 1 58 - 1 - HB2 GLU 28 - HA GLU 94 lone 1 36 - 2 - HB3 MET 11 - HA GLU 64 lone 1 68 - 1 - HB2 LEU 21 - HA GLU 94 lone 1 67 - 1 - HB3 GLU 73 - HA GLU 64 lone 0 59 - 1 - HB ILE 22 - HA GLU 94 lone 0 45 - 1 - HB2 ARG 81 - HA GLU 94 lone 0 43 - 0 - HB3 GLU 73 - HA GLU 94 lone 0 48 - 0 - Peak 3352 from cnoeabs.peaks (0.99, 4.25, 56.62 ppm; 2.84 A): 5 out of 24 assignments used, quality = 0.88: QD1 LEU 58 + HA LEU 58 OK 59 99 - 60 - 4.0=35, 2.1/3376=9...(13) * QD2 LEU 58 + HA LEU 58 OK 56 100 - 56 - 4.0=35, 1050/3.0=7...(12) HB3 LEU 27 + HA LEU 58 OK 13 95 - 13 - 3359/3.0=2, 276/3.6=2...(7) QD2 LEU 58 + HA GLU 64 OK 12 82 - 15 - 3376=4, 3.1/3355=2...(7) QD1 LEU 58 + HA GLU 64 OK 11 78 - 14 - 2.1/3376=2, 3.1/3355=2...(6) QD2 LEU 58 - HA GLU 94 poor 10 69 - 14 - 3376=3, 7614/3.0=1...(6) QG1 VAL 18 - HA LEU 58 lone 9 98 - 10 - 3376=2, 3359/3.0=1, 1050/3.0=1 QG2 THR 95 - HA GLU 94 poor 9 52 - 17 - 4550/3.6=9, 7614/3.0=2...(5) QD1 LEU 58 - HA GLU 94 poor 8 66 - 12 - 2.1/3376=2, 3.1/3355=1...(5) QD1 LEU 101 - HA LEU 58 lone 5 99 - 5 - 1050/3.0=1 HG2 LYS 65 - HA GLU 64 lone 5 73 - 6 - 4.9/300=5 HG3 LYS 65 - HA GLU 64 lone 5 73 - 6 - 4.9/300=5 HG2 LYS 65 - HA LEU 58 lone 4 95 - 4 - HG3 LYS 65 - HA LEU 58 lone 4 95 - 4 - QD1 LEU 101 - HA GLU 94 lone 3 66 - 4 - 1246/3.6=1, 7614/3.0=1 QD1 LEU 101 - HA GLU 64 lone 3 78 - 3 - 8152/3.6=2 QG2 THR 95 - HA LEU 58 lone 3 85 - 3 - HG3 LYS 65 - HA GLU 94 lone 2 61 - 4 - HG2 LYS 65 - HA GLU 94 lone 2 61 - 4 - QG1 VAL 18 - HA GLU 64 lone 2 78 - 3 - QG2 THR 95 - HA GLU 64 lone 1 63 - 2 - HB3 LEU 27 - HA GLU 64 lone 1 73 - 2 - QG1 VAL 18 - HA GLU 94 lone 1 65 - 2 - HB3 LEU 27 - HA GLU 94 lone 1 61 - 2 - Peak 3353 from cnoeabs.peaks (1.00, 4.25, 56.62 ppm; 2.84 A): 5 out of 27 assignments used, quality = 0.88: * QD1 LEU 58 + HA LEU 58 OK 60 100 - 60 - 4.0=35, 2.1/3376=9...(13) QD2 LEU 58 + HA LEU 58 OK 55 99 - 56 - 4.0=35, 1050/3.0=7...(12) HB3 LEU 27 + HA LEU 58 OK 14 100 - 14 - 3360/3.0=2, 277/3.6=2...(7) QD2 LEU 58 + HA GLU 64 OK 12 78 - 15 - 3376=4, 3.1/3355=2...(6) QD1 LEU 58 + HA GLU 64 OK 11 82 - 14 - 2.1/3376=2, 3.1/3355=2...(6) QD2 LEU 58 - HA GLU 94 poor 9 66 - 13 - 3376=3, 3.1/3355=1...(5) QD1 LEU 58 - HA GLU 94 poor 8 69 - 12 - 2.1/3376=2, 3.1/3355=1...(5) QG1 VAL 18 - HA LEU 58 lone 8 89 - 10 - 3376=2, 1050/3.0=1, 3359/3.0=1 QG1 VAL 120 - HA LEU 58 poor 6 60 - 11 - 4.0/5645=2, 277/3.6=1 QG2 THR 95 - HA GLU 94 poor 6 38 - 15 - 4.0/466=9, 7614/3.0=2...(4) QD1 LEU 101 - HA LEU 58 lone 5 90 - 5 - 1050/3.0=1 HG2 LYS 65 - HA GLU 64 lone 4 59 - 6 - 4.9/300=5 HG3 LYS 65 - HA GLU 64 lone 4 59 - 6 - 4.9/300=5 HG3 LYS 65 - HA LEU 58 lone 3 81 - 4 - HG2 LYS 65 - HA LEU 58 lone 3 81 - 4 - QD1 LEU 101 - HA GLU 64 lone 2 68 - 3 - 8152/3.6=2 QD1 LEU 101 - HA GLU 94 lone 2 56 - 4 - QG1 VAL 18 - HA GLU 64 lone 2 67 - 3 - QG2 THR 95 - HA LEU 58 lone 2 65 - 3 - HG2 LYS 65 - HA GLU 94 lone 2 48 - 4 - HG3 LYS 65 - HA GLU 94 lone 2 48 - 4 - HB3 LEU 27 - HA GLU 64 lone 2 81 - 2 - QG1 VAL 18 - HA GLU 94 lone 1 55 - 2 - HB3 LEU 27 - HA GLU 94 lone 1 68 - 2 - QG2 THR 95 - HA GLU 64 lone 1 47 - 2 - QG1 VAL 120 - HA GLU 64 lone 1 42 - 1 - QG1 VAL 120 - HA GLU 94 lone 1 34 - 1 - Peak 3354 from cnoeabs.peaks (7.72, 1.87, 43.52 ppm; 4.06 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 58 + HB2 LEU 58 OK 100 100 - 100 - 3.9=100 H ASN 118 - HB2 LEU 58 OK 35 93 - 38 - 3382/3.1=6, 271/4.6=6...(10) H SER 90 - HB2 LEU 58 OK 22 100 - 22 - 437/3.0=4, 3368/3.0=3...(7) H LEU 111 - HB2 LEU 58 OK 20 76 - 26 - 4.7/553=4, 3382/3.1=3...(11) H LEU 126 - HB2 LEU 58 OK 15 100 - 15 - 271/4.6=2, 3368/3.0=2...(7) H LEU 91 - HB2 LEU 58 OK 12 73 - 16 - 1219/1.8=2, 3382/3.1=2...(9) HE21 GLN 103 - HB2 LEU 58 lone 9 95 - 10 - 3368/3.0=2, 3382/3.1=1...(5) Peak 3355 from cnoeabs.peaks (4.25, 1.87, 43.52 ppm; 4.10 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 58 + HB2 LEU 58 OK 100 100 - 100 - 3.0=100 HA GLU 64 - HB2 LEU 58 OK 32 99 - 32 - 3362/1.8=4, 1046/3.9=3...(13) HB THR 19 - HB2 LEU 58 OK 30 100 - 31 - 3383/3.1=4, 3376/3.1=4...(14) HA GLU 94 - HB2 LEU 58 OK 27 87 - 31 - 3362/1.8=3, 3369/3.0=3...(15) HA ALA 89 - HB2 LEU 58 OK 17 97 - 18 - 3.6/3354=3, 5783/3.9=2...(7) HA ALA 122 - HB2 LEU 58 OK 15 87 - 17 - ~8096=2, 2.1/8304=2...(9) HA3 GLY 48 - HB2 LEU 58 OK 14 99 - 14 - ~6879=3, 3383/3.1=2...(6) HA GLN 103 - HB2 LEU 58 lone 8 78 - 10 - 4722/3.9=2 HA THR 17 - HB2 LEU 58 lone 7 85 - 8 - 3376/3.1=1, 3383/3.1=1 Peak 3356 from cnoeabs.peaks (1.87, 1.87, 43.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 58 + HB2 LEU 58 OK 100 100 - 100 Peak 3357 from cnoeabs.peaks (1.49, 1.87, 43.52 ppm; 3.42 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LEU 58 + HB2 LEU 58 OK 100 100 - 100 - 1.8=100 HG2 LYS 109 + HB2 LEU 58 OK 56 99 - 57 - 1.8/4923=7, 2.9/4893=7...(30) HB2 LEU 24 + HB2 LEU 58 OK 54 85 - 64 - ~7066=8, ~8507=8...(30) HG LEU 93 - HB2 LEU 58 OK 35 100 - 35 - 3.0/8304=3, 7601/3.1=3...(21) HB2 LEU 93 - HB2 LEU 58 OK 31 78 - 39 - 1.8/8304=4, ~8306=3...(18) HG3 LYS 31 - HB2 LEU 58 OK 25 73 - 34 - 1.8/2428=4, ~8306=3...(17) HG LEU 91 - HB2 LEU 58 OK 23 100 - 23 - ~8370=2, 7601/3.1=2...(9) HG2 LYS 119 - HB2 LEU 58 OK 22 65 - 33 - 2.9/5212=3, 4.0/5192=2...(16) HG3 ARG 92 - HB2 LEU 58 OK 18 81 - 22 - 3.0/4432=2, 4448=2...(5) HG2 ARG 85 - HB2 LEU 58 OK 17 97 - 17 - ~4310=1, ~4326=1 HG2 ARG 92 - HB2 LEU 58 OK 17 76 - 22 - 3.0/4432=2, 4448=2...(5) HB3 LEU 114 - HB2 LEU 58 OK 12 95 - 13 - 3.1/7056=2, ~5066=1, 274/4.6=1 HG3 ARG 57 - HB2 LEU 58 OK 12 83 - 14 - 1048/3.9=2, 3350/3.0=1...(5) HD2 LYS 46 - HB2 LEU 58 lone 4 60 - 7 - QB ALA 14 - HB2 LEU 58 lone 3 78 - 4 - Peak 3358 from cnoeabs.peaks (1.93, 1.87, 43.52 ppm; 3.84 A): 3 out of 19 assignments used, quality = 1.00: * HG LEU 58 + HB2 LEU 58 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 + HB2 LEU 58 OK 71 100 - 72 - 4893=10, 2.9/4883=7...(35) HB3 LYS 119 + HB2 LEU 58 OK 49 97 - 51 - 4.7/5646=4, 3.0/5192=4...(24) HB2 LEU 21 - HB2 LEU 58 OK 38 99 - 39 - ~7068=4, ~5991=3...(22) HB ILE 80 - HB2 LEU 58 OK 33 97 - 34 - 3.0/7056=5, ~7063=3...(16) HB3 GLU 64 - HB2 LEU 58 OK 29 100 - 29 - 3.0/3355=3, 3553/3.0=2...(12) HB2 GLU 64 - HB2 LEU 58 OK 29 100 - 29 - 3.0/3355=3, 3553/3.0=2...(12) HB ILE 22 - HB2 LEU 58 OK 19 76 - 26 - 2.9/7056=3, ~8477=2...(10) HB3 ARG 85 - HB2 LEU 58 OK 18 92 - 20 - 4294/1.8=1, 3.0/3357=1...(5) HB2 ARG 85 - HB2 LEU 58 OK 18 92 - 20 - 4294/1.8=1, 3.0/3357=1...(5) HB3 GLU 94 - HB2 LEU 58 OK 16 81 - 20 - 2.9/3355=3, 4525/3.0=1...(6) HB3 PRO 30 - HB2 LEU 58 OK 13 92 - 14 - 5.0/7057=2, 3.9/894=1 HB3 MET 11 - HB2 LEU 58 lone 8 90 - 8 - 4.2/5646=2, 8597/4.6=1 HB3 GLU 69 - HB2 LEU 58 lone 8 97 - 8 - 3.6/324=1 HB2 GLU 28 - HB2 LEU 58 poor 7 63 - 12 - 3.8/884=2, 3.0/2307=1 HB2 GLU 38 - HB2 LEU 58 lone 6 98 - 6 - 1049/3.9=1 HB2 LEU 84 - HB2 LEU 58 lone 5 60 - 9 - HB3 GLU 73 - HB2 LEU 58 lone 3 81 - 3 - HB2 ARG 81 - HB2 LEU 58 lone 2 73 - 3 - Peak 3359 from cnoeabs.peaks (0.99, 1.87, 43.52 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 58 + HB2 LEU 58 OK 100 100 - 100 - 3.1=100 QD1 LEU 58 + HB2 LEU 58 OK 99 99 - 100 - 3.1=100 HB3 LEU 27 - HB2 LEU 58 OK 34 95 - 36 - 1.8/8304=5, 3374/3.0=3...(19) QG1 VAL 18 - HB2 LEU 58 OK 20 98 - 20 - 3377=2, 3373/3.0=2...(11) QD1 LEU 101 - HB2 LEU 58 OK 12 99 - 12 - 1050/3.9=1, 3373/3.0=1 HG3 LYS 65 - HB2 LEU 58 lone 6 95 - 6 - HG2 LYS 65 - HB2 LEU 58 lone 6 95 - 6 - QG2 THR 95 - HB2 LEU 58 lone 5 85 - 5 - Peak 3360 from cnoeabs.peaks (1.00, 1.87, 43.52 ppm; 3.43 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 58 + HB2 LEU 58 OK 100 100 - 100 - 3.1=100 QD2 LEU 58 + HB2 LEU 58 OK 99 99 - 100 - 3.1=100 HB3 LEU 27 - HB2 LEU 58 OK 36 100 - 37 - 1.8/8304=5, 3374/3.0=3...(19) QG1 VAL 18 - HB2 LEU 58 OK 18 89 - 20 - 3377=2, 3373/3.0=2...(11) QG1 VAL 120 - HB2 LEU 58 OK 15 60 - 25 - 4.0/5646=4, 3.2/7057=3...(11) QD1 LEU 101 - HB2 LEU 58 OK 11 90 - 12 - 1050/3.9=1, 3373/3.0=1 HG2 LYS 65 - HB2 LEU 58 lone 5 81 - 6 - HG3 LYS 65 - HB2 LEU 58 lone 5 81 - 6 - QG2 THR 95 - HB2 LEU 58 lone 3 65 - 5 - Peak 3361 from cnoeabs.peaks (7.72, 1.49, 43.52 ppm; 4.08 A): 1 out of 21 assignments used, quality = 1.00: * H LEU 58 + HB3 LEU 58 OK 100 100 - 100 - 3.9=100 H ASN 118 - HB3 LEU 58 OK 35 93 - 38 - 271/4.6=6, 3382/3.1=6...(9) H SER 90 - HB3 LEU 58 OK 24 100 - 24 - 437/3.0=4, 3354/1.8=4...(8) H LEU 58 - HB2 LEU 24 OK 22 55 - 40 - 6478/3.1=14, 1048=4...(12) H LEU 111 - HB3 LEU 58 OK 20 76 - 27 - 3354/1.8=4, 3382/3.1=3...(9) H SER 90 - HB2 LEU 93 OK 17 50 - 34 - ~8525=6, 7568/3.1=6...(7) H LEU 91 - HB3 LEU 58 OK 16 73 - 22 - 1219=2, 3354/1.8=2...(13) H LEU 91 - HB2 LEU 93 OK 16 31 - 52 - 7580/3.8=9, 1220/3.1=6...(17) H LEU 126 - HB3 LEU 58 OK 14 100 - 14 - 3354/1.8=3, 271/4.6=2...(6) H LEU 58 - HB2 LEU 93 OK 11 50 - 22 - ~8305=2, 268=2...(10) HE21 GLN 103 - HB3 LEU 58 OK 10 95 - 10 - 3354/1.8=2, 3368/3.0=2...(5) H LEU 111 - HB2 LEU 93 poor 8 32 - 24 - 1339/1.8=3, ~4992=3...(10) H ASN 118 - HB2 LEU 93 poor 7 43 - 16 - 1377/3.1=4, 7612/3.8=2...(4) H LEU 111 - HB2 LEU 24 poor 4 35 - 12 - 1340/1.8=2, 2.9/6222=2...(4) H SER 90 - HB2 LEU 24 lone 4 55 - 7 - 6478/3.1=2, 438/3.0=1 H LEU 91 - HB2 LEU 24 poor 4 34 - 11 - 6478/3.1=2, 3.0/4376=1...(4) H ASN 118 - HB2 LEU 24 lone 2 47 - 5 - 6478/3.1=2 H LEU 126 - HB2 LEU 24 lone 2 55 - 3 - 6478/3.1=1 H LEU 126 - HB2 LEU 93 lone 1 50 - 3 - HE21 GLN 103 - HB2 LEU 24 lone 1 48 - 3 - HE21 GLN 103 - HB2 LEU 93 lone 1 44 - 2 - Peak 3362 from cnoeabs.peaks (4.25, 1.49, 43.52 ppm; 3.92 A): 1 out of 27 assignments used, quality = 1.00: * HA LEU 58 + HB3 LEU 58 OK 100 100 - 100 - 3.0=100 HA GLU 64 - HB3 LEU 58 OK 29 99 - 29 - 3355/1.8=5, 1046/3.9=3...(12) HA LEU 58 - HB2 LEU 24 OK 29 55 - 52 - ~8435=7, ~6478=6...(24) HB THR 19 - HB3 LEU 58 OK 28 100 - 28 - 3355/1.8=4, 3383/3.1=4...(13) HA GLU 94 - HB3 LEU 58 OK 23 87 - 27 - 3355/1.8=4, 3.0/462=3...(11) HA GLU 94 - HB2 LEU 93 OK 22 38 - 58 - ~461=11, ~459=10...(16) HA LEU 58 - HB2 LEU 93 OK 18 50 - 36 - 8305/1.8=4, ~8304=3...(18) HA ALA 89 - HB3 LEU 58 OK 16 97 - 16 - 3355/1.8=2, 5783/3.9=2...(7) HA ALA 122 - HB3 LEU 58 OK 14 87 - 16 - ~8096=2, 3355/1.8=2...(9) HA3 GLY 48 - HB3 LEU 58 OK 13 99 - 13 - ~6879=2, 3383/3.1=2...(6) HA GLN 103 - HB3 LEU 58 lone 7 78 - 9 - 4722/3.9=2, 3355/1.8=1 HA THR 17 - HB3 LEU 58 lone 6 85 - 7 - HA ALA 89 - HB2 LEU 93 poor 6 46 - 12 - ~8528=3, ~7565=1, 3.6/3361=1 HA THR 17 - HB2 LEU 24 lone 3 41 - 8 - ~8194=2 HA GLU 64 - HB2 LEU 93 lone 3 49 - 6 - 1238/4.4=2 HB THR 19 - HB2 LEU 93 lone 3 49 - 6 - HA ALA 89 - HB2 LEU 24 lone 2 50 - 4 - HA ALA 122 - HB2 LEU 93 lone 1 38 - 4 - ~627=2 HA GLU 64 - HB2 LEU 24 lone 1 53 - 2 - HB THR 19 - HB2 LEU 24 lone 1 54 - 2 - HA3 GLY 48 - HB2 LEU 24 lone 1 53 - 2 - HA THR 17 - HB2 LEU 93 lone 1 37 - 3 - HA GLU 94 - HB2 LEU 24 lone 1 42 - 2 - HA3 GLY 48 - HB2 LEU 93 lone 1 49 - 2 - HA GLN 103 - HB2 LEU 93 lone 1 33 - 3 - 1238/4.4=1 HA GLN 103 - HB2 LEU 24 lone 1 36 - 2 - HA ALA 122 - HB2 LEU 24 lone 1 42 - 1 - Peak 3363 from cnoeabs.peaks (1.87, 1.49, 43.52 ppm; 3.39 A): 2 out of 33 assignments used, quality = 1.00: * HB2 LEU 58 + HB3 LEU 58 OK 100 100 - 100 - 1.8=100 HB3 LYS 109 + HB3 LEU 58 OK 62 99 - 63 - 4904=7, 1.8/4894=6...(33) HB2 LYS 119 - HB3 LEU 58 OK 38 95 - 40 - 8031/3.1=4, 3370/3.0=3...(17) HB2 LEU 58 - HB2 LEU 24 OK 35 55 - 64 - ~7066=7, ~8507=7...(30) HB3 LYS 31 - HB3 LEU 58 OK 34 95 - 36 - 2.9/8306=3, 2420=3...(15) HB2 ARG 92 - HB3 LEU 58 OK 21 100 - 21 - 4427=2, ~4432=2...(12) HB2 LEU 58 - HB2 LEU 93 OK 20 50 - 40 - 8304/1.8=4, 3357=3...(19) HG LEU 55 - HB3 LEU 58 OK 17 96 - 18 - 4.3/7012=3, 273/4.6=2...(7) HB3 LYS 31 - HB2 LEU 93 OK 16 44 - 37 - 2419/1.8=6, 2420=4...(11) HG12 ILE 22 - HB3 LEU 58 OK 15 76 - 20 - 8477/3.1=2, 8477/3.1=2...(7) HB3 GLU 28 - HB3 LEU 58 lone 8 100 - 8 - HG LEU 55 - HB2 LEU 93 poor 7 45 - 15 - 8640/3.8=4, ~7611=2...(5) HB2 ARG 92 - HB2 LEU 93 poor 7 50 - 13 - 452/3.8=6, 3.6/447=2, 4427/3.0=1 HB2 LYS 119 - HB2 LEU 93 poor 6 44 - 14 - 8030/3.1=2, 5204=1 HG3 PRO 68 - HB3 LEU 58 lone 6 100 - 6 - HB3 LYS 31 - HB2 LEU 24 poor 6 48 - 12 - 2416/3.0=2 HG LEU 84 - HB3 LEU 58 lone 6 90 - 6 - HG12 ILE 22 - HB2 LEU 93 poor 5 32 - 16 - ~8476=2, ~4490=2...(4) HB VAL 50 - HB3 LEU 58 lone 5 95 - 5 - HG LEU 84 - HB2 LEU 93 poor 5 41 - 12 - 7476/3.8=2, 4259/3.1=2, ~4489=1 HB2 LYS 119 - HB2 LEU 24 lone 4 48 - 8 - HB3 LYS 109 - HB2 LEU 93 lone 4 49 - 8 - HB VAL 50 - HB2 LEU 24 lone 4 48 - 8 - ~5994=2, ~6466=2 HB2 ARG 92 - HB2 LEU 24 lone 3 54 - 6 - HB3 LYS 109 - HB2 LEU 24 lone 2 53 - 5 - HG3 PRO 68 - HB2 LEU 93 lone 2 50 - 3 - 8640/3.8=1 HG LEU 84 - HB2 LEU 24 lone 1 44 - 3 - HG LEU 55 - HB2 LEU 24 lone 1 49 - 2 - HG12 ILE 22 - HB2 LEU 24 lone 1 35 - 3 - HB3 GLU 28 - HB2 LEU 93 lone 1 50 - 2 - HB VAL 50 - HB2 LEU 93 lone 1 44 - 2 - HG3 PRO 68 - HB2 LEU 24 lone 1 55 - 1 - HB3 GLU 28 - HB2 LEU 24 lone 0 55 - 1 - Peak 3364 from cnoeabs.peaks (1.49, 1.49, 43.52 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 58 + HB3 LEU 58 OK 100 100 - 100 HB2 LEU 24 - HB2 LEU 24 OK 41 41 - 100 HB2 LEU 93 - HB2 LEU 93 OK 33 33 - 100 Peak 3365 from cnoeabs.peaks (1.93, 1.49, 43.52 ppm; 3.71 A): 2 out of 57 assignments used, quality = 1.00: * HG LEU 58 + HB3 LEU 58 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 + HB3 LEU 58 OK 68 100 - 69 - 4893/1.8=9, 4894=9...(32) HB3 LYS 119 - HB3 LEU 58 OK 42 97 - 44 - 5212/1.8=4, 1.8/3363=3...(20) HG LEU 58 - HB2 LEU 24 OK 41 55 - 74 - 8507/3.1=18, ~7066=13...(27) HB2 LEU 21 - HB2 LEU 24 OK 39 53 - 73 - 3.0/5991=11, ~6403=10...(24) HB2 LEU 21 - HB3 LEU 58 OK 36 99 - 36 - ~7068=4, 3.0/5991=4...(19) HB ILE 80 - HB3 LEU 58 OK 30 97 - 31 - ~7063=3, ~7056=3...(15) HB3 GLU 64 - HB3 LEU 58 OK 28 100 - 28 - 3.0/3362=2, 3553/3.0=2...(13) HB2 GLU 64 - HB3 LEU 58 OK 28 100 - 28 - 3.0/3362=2, 3553/3.0=2...(13) HB2 ARG 85 - HB3 LEU 58 OK 22 92 - 24 - 3.0/4310=2, 3.0/4278=2...(7) HB3 ARG 85 - HB3 LEU 58 OK 22 92 - 24 - 3.0/4310=2, 3.0/4278=2...(7) HG LEU 58 - HB2 LEU 93 OK 21 50 - 41 - ~7062=4, ~6367=3...(19) HB3 GLU 94 - HB3 LEU 58 OK 17 81 - 21 - 4.0/462=2, 2.9/3362=2...(7) HB ILE 22 - HB3 LEU 58 OK 17 76 - 22 - ~7056=2, 2151/1.8=2...(10) HB3 PRO 30 - HB3 LEU 58 OK 11 92 - 12 - HB3 ARG 85 - HB2 LEU 24 poor 8 46 - 18 - 3.0/4278=2, 4.0/1194=2...(8) HB2 ARG 85 - HB2 LEU 24 poor 8 46 - 18 - 3.0/4278=2, 4.0/1194=2...(8) HB2 GLU 38 - HB2 LEU 93 poor 7 47 - 15 - 3.8/6704=2, ~6709=1...(7) HB3 MET 11 - HB3 LEU 58 lone 7 90 - 8 - 4.2/5647=1, 8597/4.6=1 HB3 GLU 94 - HB2 LEU 93 poor 7 34 - 21 - 4.0/460=7, ~8305=2...(6) HB2 GLU 38 - HB3 LEU 58 lone 7 98 - 7 - HB3 LYS 119 - HB2 LEU 93 poor 6 46 - 14 - ~8030=1, 1.8/5204=1, 4.7/613=1 HB ILE 80 - HB2 LEU 93 poor 6 46 - 13 - ~7608=3, ~7402=3...(4) HB ILE 22 - HB2 LEU 93 poor 6 32 - 19 - ~8476=2, 2152/3.1=2...(6) HB3 GLU 69 - HB3 LEU 58 lone 6 97 - 6 - HB2 GLU 28 - HB3 LEU 58 lone 5 63 - 8 - HB3 LYS 119 - HB2 LEU 24 lone 5 50 - 10 - HB2 LEU 84 - HB3 LEU 58 lone 5 60 - 8 - 4.3/1194=1 HB2 LYS 109 - HB2 LEU 93 lone 5 49 - 9 - 4894=1 HB2 GLU 38 - HB2 LEU 24 lone 4 52 - 8 - ~6467=1 HB3 GLU 73 - HB2 LEU 24 poor 4 38 - 10 - ~8738=1, ~7290=1...(5) HB2 LYS 109 - HB2 LEU 24 lone 3 54 - 6 - HB ILE 80 - HB2 LEU 24 lone 3 51 - 6 - ~8344=1 HB3 PRO 30 - HB2 LEU 93 lone 3 42 - 8 - 5.0/2400=1, 3.9/896=1 HB ILE 22 - HB2 LEU 24 lone 3 35 - 8 - 8200/3.9=2, ~6468=1, 8208/3.1=1 HB3 GLU 73 - HB3 LEU 58 lone 3 81 - 4 - HB2 ARG 85 - HB2 LEU 93 lone 3 42 - 6 - 1240/4.4=1 HB3 ARG 85 - HB2 LEU 93 lone 3 42 - 6 - 1240/4.4=1 HB2 ARG 81 - HB3 LEU 58 lone 3 73 - 3 - HB3 GLU 64 - HB2 LEU 93 lone 3 50 - 5 - HB2 GLU 64 - HB2 LEU 93 lone 3 49 - 5 - HB2 LEU 84 - HB2 LEU 93 poor 3 24 - 11 - ~4252=1, 4245/3.1=1...(4) HB2 LEU 21 - HB2 LEU 93 lone 2 49 - 4 - HB2 LEU 84 - HB2 LEU 24 lone 2 26 - 8 - 4.3/1194=2, 8200/3.9=1 HB3 MET 11 - HB2 LEU 93 lone 2 41 - 4 - HB3 GLU 64 - HB2 LEU 24 lone 2 55 - 3 - HB2 GLU 64 - HB2 LEU 24 lone 2 54 - 3 - HB2 ARG 81 - HB2 LEU 93 lone 2 31 - 5 - ~7607=1 HB3 PRO 30 - HB2 LEU 24 lone 1 46 - 3 - HB2 ARG 81 - HB2 LEU 24 lone 1 34 - 3 - HB3 GLU 69 - HB2 LEU 24 lone 1 50 - 2 - HB3 MET 11 - HB2 LEU 24 lone 1 44 - 2 - HB3 GLU 94 - HB2 LEU 24 lone 1 38 - 1 - HB3 GLU 69 - HB2 LEU 93 lone 0 46 - 1 - HB2 GLU 28 - HB2 LEU 93 lone 0 25 - 2 - HB2 GLU 28 - HB2 LEU 24 lone 0 28 - 1 - HB3 GLU 73 - HB2 LEU 93 lone 0 34 - 1 - Peak 3366 from cnoeabs.peaks (0.99, 1.49, 43.52 ppm; 3.26 A): 2 out of 24 assignments used, quality = 1.00: * QD2 LEU 58 + HB3 LEU 58 OK 100 100 - 100 - 3.1=100 QD1 LEU 58 + HB3 LEU 58 OK 99 99 - 100 - 3.1=100 QD2 LEU 58 - HB2 LEU 24 OK 36 55 - 66 - 7067/3.1=15, ~7066=9...(26) QD1 LEU 58 - HB2 LEU 24 OK 34 52 - 64 - 7066/3.1=15, ~8507=8...(26) HB3 LEU 27 - HB3 LEU 58 OK 31 95 - 33 - 3359/1.8=4, ~8304=3...(17) QG1 VAL 18 - HB3 LEU 58 OK 20 98 - 20 - 3359/1.8=2, 3373/3.0=2...(10) QG1 VAL 18 - HB2 LEU 24 OK 18 52 - 35 - 7067/3.1=8, 6365/3.1=5...(14) QD2 LEU 58 - HB2 LEU 93 OK 18 50 - 36 - 6367/1.8=4, 3378=3...(14) QD1 LEU 58 - HB2 LEU 93 OK 16 48 - 34 - 7062/1.8=5, 3385=3...(14) QD1 LEU 101 - HB3 LEU 58 OK 12 99 - 12 - 3359/1.8=1, 1050/3.9=1 HB3 LEU 27 - HB2 LEU 93 poor 7 44 - 17 - 2278/1.8=2, 8481/3.1=1...(5) QD1 LEU 101 - HB2 LEU 93 poor 6 48 - 13 - 8743/3.8=4, 8445/1.8=3...(4) HG3 LYS 65 - HB3 LEU 58 lone 6 95 - 6 - HG2 LYS 65 - HB3 LEU 58 lone 6 95 - 6 - QG2 THR 95 - HB2 LEU 93 poor 5 37 - 14 - 7620/3.8=4, 7627/3.1=3...(6) QG2 THR 95 - HB3 LEU 58 lone 4 85 - 5 - QD1 LEU 101 - HB2 LEU 24 lone 4 52 - 7 - 6465/3.1=1, 6470/3.1=1 HG3 LYS 65 - HB2 LEU 93 lone 3 44 - 8 - ~7600=1, 7600/1.8=1 HG2 LYS 65 - HB2 LEU 93 lone 3 44 - 8 - ~7600=1, 7600/1.8=1 QG1 VAL 18 - HB2 LEU 93 lone 3 47 - 6 - HB3 LEU 27 - HB2 LEU 24 lone 3 48 - 6 - 6465/3.1=1 HG2 LYS 65 - HB2 LEU 24 lone 3 48 - 6 - HG3 LYS 65 - HB2 LEU 24 lone 3 48 - 6 - QG2 THR 95 - HB2 LEU 24 lone 0 41 - 1 - Peak 3367 from cnoeabs.peaks (1.00, 1.49, 43.52 ppm; 3.26 A): 2 out of 27 assignments used, quality = 1.00: * QD1 LEU 58 + HB3 LEU 58 OK 100 100 - 100 - 3.1=100 QD2 LEU 58 + HB3 LEU 58 OK 99 99 - 100 - 3.1=100 QD1 LEU 58 - HB2 LEU 24 OK 36 55 - 65 - 7066/3.1=15, ~8507=8...(26) QD2 LEU 58 - HB2 LEU 24 OK 34 52 - 66 - 7067/3.1=15, ~7066=9...(26) HB3 LEU 27 - HB3 LEU 58 OK 34 100 - 34 - 3360/1.8=4, ~8304=3...(17) QG1 VAL 18 - HB3 LEU 58 OK 18 89 - 20 - 3359/1.8=2, 3378=2...(10) QD1 LEU 58 - HB2 LEU 93 OK 17 50 - 34 - 7062/1.8=5, 3385=3...(13) QD2 LEU 58 - HB2 LEU 93 OK 17 48 - 35 - 6367/1.8=4, 3378=3...(14) QG1 VAL 18 - HB2 LEU 24 OK 15 43 - 35 - 7067/3.1=8, 6365/3.1=4...(14) QG1 VAL 120 - HB3 LEU 58 OK 13 60 - 22 - 4.0/5647=2, ~7057=2...(11) QG1 VAL 120 - HB2 LEU 93 OK 11 24 - 48 - ~8378=5, ~8055=4...(20) QD1 LEU 101 - HB3 LEU 58 OK 11 90 - 12 - 3359/1.8=1, 1050/3.9=1 HB3 LEU 27 - HB2 LEU 93 poor 9 49 - 17 - 2278/1.8=3, 8481/3.1=2...(5) HG3 LYS 65 - HB3 LEU 58 lone 5 81 - 6 - HG2 LYS 65 - HB3 LEU 58 lone 5 81 - 6 - QD1 LEU 101 - HB2 LEU 93 poor 5 41 - 12 - 8743/3.8=4, 8445/1.8=3, ~7713=1 HB3 LEU 27 - HB2 LEU 24 lone 3 54 - 6 - 6465/3.1=1 QG2 THR 95 - HB3 LEU 58 lone 3 65 - 5 - QG2 THR 95 - HB2 LEU 93 poor 3 27 - 11 - 7620/3.8=3, 7627/3.1=2...(4) QD1 LEU 101 - HB2 LEU 24 lone 3 44 - 6 - QG1 VAL 18 - HB2 LEU 93 lone 2 39 - 6 - HG2 LYS 65 - HB2 LEU 93 lone 2 34 - 7 - ~7600=1 HG3 LYS 65 - HB2 LEU 93 lone 2 34 - 7 - ~7600=1 HG3 LYS 65 - HB2 LEU 24 lone 2 38 - 5 - HG2 LYS 65 - HB2 LEU 24 lone 2 38 - 5 - QG1 VAL 120 - HB2 LEU 24 lone 1 26 - 5 - QG2 THR 95 - HB2 LEU 24 lone 0 29 - 1 - Peak 3368 from cnoeabs.peaks (7.72, 1.93, 26.17 ppm; 3.86 A): 5 out of 7 assignments used, quality = 0.91: * H LEU 58 + HG LEU 58 OK 80 100 - 80 - 5.0=45, 1050/2.1=15...(14) H ASN 118 + HG LEU 58 OK 31 93 - 33 - 3382/2.1=7, 3375/2.1=6...(9) H SER 90 + HG LEU 58 OK 18 100 - 18 - 3382/2.1=3, 437/4.3=3...(7) H LEU 111 + HG LEU 58 OK 16 76 - 21 - 3382/2.1=4, 3375/2.1=3...(8) H LEU 126 + HG LEU 58 OK 11 100 - 11 - 3382/2.1=2, 3375/2.1=2...(4) H LEU 91 - HG LEU 58 poor 8 73 - 11 - 3382/2.1=2, 3375/2.1=2...(4) HE21 GLN 103 - HG LEU 58 lone 8 95 - 9 - 3382/2.1=2, 3375/2.1=1 Peak 3369 from cnoeabs.peaks (4.25, 1.93, 26.17 ppm; 4.45 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 58 + HG LEU 58 OK 100 100 - 100 - 4.3=100 HB THR 19 - HG LEU 58 OK 33 100 - 33 - 3383/2.1=6, 3376/2.1=5...(12) HA GLU 64 - HG LEU 58 OK 27 99 - 27 - 3355/3.0=4, 3383/2.1=4...(10) HA GLU 94 - HG LEU 58 OK 25 87 - 29 - 3355/3.0=4, 3383/2.1=3...(12) HA ALA 89 - HG LEU 58 OK 17 97 - 18 - 3.6/3368=3, 3383/2.1=2...(7) HA3 GLY 48 - HG LEU 58 OK 16 99 - 16 - ~6879=4, 3383/2.1=3...(5) HA ALA 122 - HG LEU 58 OK 14 87 - 16 - ~8096=4, 3383/2.1=3...(6) HA THR 17 - HG LEU 58 lone 8 85 - 9 - 3383/2.1=1, 3376/2.1=1 HA GLN 103 - HG LEU 58 lone 7 78 - 9 - 4722/5.0=2, 3383/2.1=1...(4) Peak 3370 from cnoeabs.peaks (1.87, 1.93, 26.17 ppm; 3.54 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 58 + HG LEU 58 OK 100 100 - 100 - 3.0=100 HB3 LYS 109 + HG LEU 58 OK 61 99 - 61 - 4902=8, 3384/2.1=6...(31) HB2 LYS 119 - HG LEU 58 OK 41 95 - 44 - 8031/2.1=5, 5203=5...(17) HB3 LYS 31 - HG LEU 58 OK 30 95 - 32 - 3384/2.1=3, 3377/2.1=3...(15) HB2 ARG 92 - HG LEU 58 OK 18 100 - 18 - 3384/2.1=2, ~8404=2...(5) HG12 ILE 22 - HG LEU 58 OK 18 76 - 23 - 8477/2.1=3, ~8420=3...(9) HG LEU 55 - HG LEU 58 OK 12 96 - 13 - 3384/2.1=2, ~7056=2...(5) HB3 GLU 28 - HG LEU 58 lone 8 100 - 8 - 3384/2.1=1 HG LEU 84 - HG LEU 58 lone 6 90 - 7 - HB VAL 50 - HG LEU 58 lone 5 95 - 5 - HG3 PRO 68 - HG LEU 58 lone 5 100 - 4 - Peak 3371 from cnoeabs.peaks (1.49, 1.93, 26.17 ppm; 4.11 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LEU 58 + HG LEU 58 OK 100 100 - 100 - 3.0=100 HB2 LEU 24 + HG LEU 58 OK 70 85 - 82 - 3.1/8507=22, ~7066=16...(30) HG2 LYS 109 + HG LEU 58 OK 62 99 - 63 - 2.9/3370=7, 1.8/4922=7...(31) HG LEU 93 - HG LEU 58 OK 42 100 - 43 - 7601/2.1=6, 3385/2.1=4...(21) HB2 LEU 93 - HG LEU 58 OK 36 78 - 46 - 7610/2.1=4, ~7062=4...(22) HG LEU 91 - HG LEU 58 OK 30 100 - 30 - ~8370=4, ~8420=4...(11) HG2 LYS 119 - HG LEU 58 OK 29 65 - 45 - 2.9/3370=5, ~8031=4...(24) HG3 LYS 31 - HG LEU 58 OK 27 73 - 37 - 2.9/3370=3, ~7062=3...(18) HG2 ARG 85 - HG LEU 58 OK 21 97 - 21 - 3385/2.1=2, 3357/3.0=1...(8) HG3 ARG 92 - HG LEU 58 OK 19 81 - 23 - 3.0/3370=2, ~8404=2...(9) HG3 ARG 57 - HG LEU 58 OK 18 83 - 22 - ~8404=2, 1048/5.0=2...(10) HG2 ARG 92 - HG LEU 58 OK 18 76 - 23 - 3.0/3370=2, ~8404=2...(9) HB3 LEU 114 - HG LEU 58 OK 12 95 - 13 - ~7056=2, ~5066=1...(4) HD2 LYS 46 - HG LEU 58 poor 6 60 - 10 - ~7061=1 QB ALA 14 - HG LEU 58 lone 5 78 - 6 - 6308=1 Peak 3372 from cnoeabs.peaks (1.93, 1.93, 26.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 58 + HG LEU 58 OK 100 100 - 100 Peak 3373 from cnoeabs.peaks (0.99, 1.93, 26.17 ppm; 3.01 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 58 + HG LEU 58 OK 100 100 - 100 - 2.1=100 QD1 LEU 58 + HG LEU 58 OK 99 99 - 100 - 2.1=100 HB3 LEU 27 - HG LEU 58 OK 29 95 - 31 - ~7062=3, ~2272=3...(15) QG1 VAL 18 - HG LEU 58 OK 20 98 - 20 - 3379=2, ~2000=2, ~1995=2...(10) QD1 LEU 101 - HG LEU 58 OK 11 99 - 11 - HG3 LYS 65 - HG LEU 58 lone 5 95 - 6 - HG2 LYS 65 - HG LEU 58 lone 5 95 - 6 - QG2 THR 95 - HG LEU 58 lone 4 85 - 5 - Peak 3374 from cnoeabs.peaks (1.00, 1.93, 26.17 ppm; 3.01 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 58 + HG LEU 58 OK 100 100 - 100 - 2.1=100 QD2 LEU 58 + HG LEU 58 OK 99 99 - 100 - 2.1=100 HB3 LEU 27 - HG LEU 58 OK 31 100 - 31 - ~7062=3, ~2272=3...(15) QG1 VAL 18 - HG LEU 58 OK 18 89 - 20 - 3379=2, ~2000=2, ~1995=2...(10) QG1 VAL 120 - HG LEU 58 OK 11 60 - 19 - 4.0/612=3, 8046=2...(10) QD1 LEU 101 - HG LEU 58 poor 10 90 - 11 - HG2 LYS 65 - HG LEU 58 lone 5 81 - 6 - HG3 LYS 65 - HG LEU 58 lone 5 81 - 6 - QG2 THR 95 - HG LEU 58 lone 3 65 - 5 - Peak 3375 from cnoeabs.peaks (7.72, 0.99, 21.76 ppm; 3.63 A): 3 out of 14 assignments used, quality = 0.91: * H LEU 58 + QD2 LEU 58 OK 81 100 - 81 - 4.8=44, 3368/2.1=14...(18) H ASN 118 + QD2 LEU 58 OK 39 93 - 41 - 3382/2.1=6, 3368/2.1=6...(13) H LEU 111 + QD2 LEU 58 OK 21 76 - 27 - 3382/2.1=3, 3368/2.1=3...(13) H SER 90 - QD2 LEU 58 OK 18 100 - 18 - 3368/2.1=3, 3382/2.1=3...(7) H LEU 58 - QG1 VAL 18 OK 15 93 - 16 - 1050=3, 3.9/3359=2...(6) H ASN 118 - QG1 VAL 18 OK 14 83 - 17 - 1378/2.1=3, 1784/4.3=3...(6) H LEU 126 - QD2 LEU 58 OK 13 100 - 13 - 3368/2.1=2, 3382/2.1=2...(5) H LEU 111 - QG1 VAL 18 OK 12 65 - 18 - 1340/2.1=3, 4.7/8420=2...(8) H LEU 91 - QD2 LEU 58 OK 11 73 - 15 - 4.5/8420=3, 3382/2.1=2...(6) HE21 GLN 103 - QD2 LEU 58 lone 9 95 - 9 - 3368/2.1=2, 3382/2.1=1 HE21 GLN 103 - QG1 VAL 18 lone 4 84 - 5 - 753/2.1=1 H SER 90 - QG1 VAL 18 lone 3 93 - 3 - H LEU 126 - QG1 VAL 18 lone 2 92 - 2 - H LEU 91 - QG1 VAL 18 lone 2 63 - 3 - Peak 3376 from cnoeabs.peaks (4.25, 0.99, 21.76 ppm; 2.86 A): 6 out of 18 assignments used, quality = 0.84: * HA LEU 58 + QD2 LEU 58 OK 60 100 - 60 - 4.0=36, 3353/2.1=8...(13) HB THR 19 + QG1 VAL 18 OK 21 91 - 23 - 2010/4.3=6, 6373/2.1=3...(9) HB THR 19 + QD2 LEU 58 OK 18 100 - 18 - 3383/2.1=2, 4.0/50=2...(8) HA THR 17 + QG1 VAL 18 OK 17 74 - 24 - 3.5/826=6, ~8393=3...(10) HA GLU 64 + QD2 LEU 58 OK 14 99 - 14 - 3352=3, 3355/3.1=2...(6) HA GLU 94 + QD2 LEU 58 OK 12 87 - 14 - 3352=2, 3.0/7614=1...(7) HA LEU 58 - QG1 VAL 18 lone 9 93 - 10 - 3352=2, 3.0/3359=1...(4) HA3 GLY 48 - QD2 LEU 58 lone 8 99 - 8 - ~6879=1, 3.0/6879=1, 3383/2.1=1 HA ALA 89 - QD2 LEU 58 lone 7 97 - 7 - 3.6/3375=1 HA ALA 122 - QD2 LEU 58 lone 7 87 - 8 - ~8096=1, 3.0/8096=1 HA THR 17 - QD2 LEU 58 lone 5 85 - 6 - 3.5/826=2 HA GLN 103 - QG1 VAL 18 lone 3 67 - 5 - 4718/2.1=1 HA GLN 103 - QD2 LEU 58 lone 3 78 - 4 - HA GLU 64 - QG1 VAL 18 lone 3 91 - 3 - HA3 GLY 48 - QG1 VAL 18 lone 2 91 - 2 - HA GLU 94 - QG1 VAL 18 lone 2 76 - 2 - HA ALA 89 - QG1 VAL 18 lone 1 87 - 1 - HA ALA 122 - QG1 VAL 18 lone 0 76 - 1 - Peak 3377 from cnoeabs.peaks (1.87, 0.99, 21.76 ppm; 3.19 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LEU 58 + QD2 LEU 58 OK 100 100 - 100 - 3.1=100 HB3 LYS 109 + QD2 LEU 58 OK 48 99 - 48 - 4902/2.1=6, 3384/2.1=5...(25) HB2 LYS 119 - QD2 LEU 58 OK 33 95 - 36 - 5203/2.1=4, 8031/2.1=4...(17) HB3 LYS 31 - QD2 LEU 58 OK 28 95 - 30 - 3384/2.1=3, 3370/2.1=3...(10) HB2 ARG 92 - QD2 LEU 58 OK 18 100 - 18 - 1.8/8404=3, 3384/2.1=2...(5) HB2 LEU 58 - QG1 VAL 18 OK 17 93 - 18 - 3359=3, 3.0/3373=2...(9) HG12 ILE 22 - QD2 LEU 58 OK 16 76 - 21 - 2.1/8420=4, 8477/2.1=2...(7) HG LEU 55 - QD2 LEU 58 OK 14 96 - 15 - 4.3/8292=3, 273/4.9=2...(6) HG12 ILE 22 - QG1 VAL 18 OK 11 65 - 17 - 2.1/8420=4, ~6440=3...(6) HB3 GLU 28 - QD2 LEU 58 lone 8 100 - 8 - 3.8/101=2 HG LEU 84 - QG1 VAL 18 poor 8 79 - 10 - 2.1/7486=2, 4.3/7485=1, ~6357=1 HG LEU 84 - QD2 LEU 58 lone 6 90 - 7 - 2.1/7486=1 HB2 LYS 119 - QG1 VAL 18 lone 6 84 - 7 - HB3 GLU 28 - QG1 VAL 18 lone 6 92 - 6 - 3.8/101=1 HB VAL 50 - QD2 LEU 58 lone 5 95 - 5 - HG3 PRO 68 - QD2 LEU 58 lone 4 100 - 4 - HG LEU 55 - QG1 VAL 18 lone 4 85 - 4 - HB3 LYS 109 - QG1 VAL 18 lone 3 91 - 4 - HB2 ARG 92 - QG1 VAL 18 lone 3 92 - 3 - HB3 LYS 31 - QG1 VAL 18 lone 2 84 - 2 - HG3 PRO 68 - QG1 VAL 18 lone 2 92 - 2 - HB VAL 50 - QG1 VAL 18 lone 1 84 - 1 - Peak 3378 from cnoeabs.peaks (1.49, 0.99, 21.76 ppm; 3.18 A): 2 out of 30 assignments used, quality = 1.00: * HB3 LEU 58 + QD2 LEU 58 OK 100 100 - 100 - 3.1=100 HB2 LEU 24 + QD2 LEU 58 OK 54 85 - 64 - 3.1/7067=14, ~7066=9...(26) HG2 LYS 109 - QD2 LEU 58 OK 38 99 - 39 - 2.9/3377=4, 3385/2.1=3...(21) HG LEU 93 - QD2 LEU 58 OK 31 100 - 31 - 7601=3, 3.0/6367=3...(11) HB2 LEU 93 - QD2 LEU 58 OK 26 78 - 34 - 1.8/6367=4, ~7062=3...(14) HB2 LEU 24 - QG1 VAL 18 OK 26 74 - 35 - 3.1/7067=8, 3.1/6365=4...(14) HG LEU 91 - QD2 LEU 58 OK 22 100 - 22 - 2.1/8420=4, ~8370=3...(7) HG3 LYS 31 - QD2 LEU 58 OK 19 73 - 26 - 1.8/6367=3, 2.9/3377=2...(13) HG2 LYS 119 - QD2 LEU 58 OK 18 65 - 28 - 2.9/3377=2, 4.9/8028=2...(16) HB3 LEU 58 - QG1 VAL 18 OK 18 93 - 20 - 1.8/3359=2, 3366=2...(10) HG3 ARG 57 - QD2 LEU 58 OK 13 83 - 16 - 3.0/8404=3, 5.1/7031=2...(5) HG3 ARG 92 - QD2 LEU 58 OK 13 81 - 16 - 3.0/8404=2, 3.0/3377=1 HG2 ARG 85 - QD2 LEU 58 OK 13 97 - 13 - HG2 ARG 92 - QD2 LEU 58 OK 12 76 - 16 - 3.0/8404=2, 3.0/3377=1 QB ALA 14 - QG1 VAL 18 poor 9 67 - 14 - 6303/2.1=4, ~6296=4...(4) HB3 LEU 114 - QD2 LEU 58 lone 8 95 - 8 - HG LEU 93 - QG1 VAL 18 lone 5 91 - 6 - HD2 LYS 46 - QD2 LEU 58 lone 5 60 - 8 - HB2 LEU 93 - QG1 VAL 18 lone 4 67 - 6 - HG3 ARG 57 - QG1 VAL 18 lone 4 72 - 5 - QB ALA 14 - QD2 LEU 58 lone 3 78 - 4 - HG2 ARG 85 - QG1 VAL 18 lone 3 87 - 3 - HD2 LYS 46 - QG1 VAL 18 lone 3 51 - 6 - HG2 LYS 119 - QG1 VAL 18 lone 3 55 - 5 - HG LEU 91 - QG1 VAL 18 lone 3 92 - 3 - HG2 LYS 109 - QG1 VAL 18 lone 2 90 - 2 - HB3 LEU 114 - QG1 VAL 18 lone 2 84 - 2 - HG3 ARG 92 - QG1 VAL 18 lone 1 70 - 2 - HG2 ARG 92 - QG1 VAL 18 lone 1 65 - 2 - HG3 LYS 31 - QG1 VAL 18 lone 1 63 - 2 - Peak 3379 from cnoeabs.peaks (1.93, 0.99, 21.76 ppm; 2.98 A): 1 out of 38 assignments used, quality = 1.00: * HG LEU 58 + QD2 LEU 58 OK 100 100 - 100 - 2.1=100 HB2 LYS 109 - QD2 LEU 58 OK 44 100 - 44 - 4893/3.1=5, 1.8/3377=4...(25) HB3 LYS 119 - QD2 LEU 58 OK 31 97 - 32 - 1.8/3377=3, 3386/2.1=2...(14) HB2 LEU 21 - QD2 LEU 58 OK 29 99 - 29 - 3.1/6365=3, ~7068=3...(14) HB2 LEU 21 - QG1 VAL 18 OK 24 91 - 26 - 5975/3.2=4, ~5977=3...(10) HB ILE 80 - QD2 LEU 58 OK 23 97 - 24 - ~7063=3, 3386/2.1=2...(11) HG LEU 58 - QG1 VAL 18 OK 19 93 - 21 - 3373=3, ~2000=2, ~1995=2...(10) HB3 GLU 64 - QD2 LEU 58 OK 15 100 - 15 - 3.0/3376=2, 3386/2.1=1...(4) HB2 GLU 64 - QD2 LEU 58 OK 15 100 - 15 - 3.0/3376=2, 3386/2.1=1 HB ILE 22 - QD2 LEU 58 OK 14 76 - 19 - 3.2/8420=2, 2.9/8477=2...(6) HB3 GLU 69 - QG1 VAL 18 OK 10 87 - 12 - 3.0/8748=1, 4.8/2002=1...(5) HB2 ARG 85 - QD2 LEU 58 poor 10 92 - 11 - HB3 ARG 85 - QD2 LEU 58 poor 10 92 - 11 - HB ILE 22 - QG1 VAL 18 poor 10 65 - 15 - 3.2/8420=2, ~6440=2...(7) HB3 GLU 94 - QD2 LEU 58 poor 9 81 - 12 - 2.9/3376=2, 4.0/7614=1 HB3 PRO 30 - QD2 LEU 58 lone 8 92 - 9 - HB3 MET 11 - QG1 VAL 18 lone 7 79 - 9 - HB3 GLU 69 - QD2 LEU 58 lone 6 97 - 6 - HB3 MET 11 - QD2 LEU 58 lone 5 90 - 6 - HB3 LYS 119 - QG1 VAL 18 lone 5 87 - 6 - HB2 LEU 84 - QG1 VAL 18 poor 5 51 - 10 - 3.0/7485=1, 3.1/7486=1...(4) HB2 GLU 28 - QD2 LEU 58 lone 4 63 - 7 - 3.8/101=1 HB2 GLU 38 - QD2 LEU 58 lone 4 98 - 4 - HB2 ARG 85 - QG1 VAL 18 lone 4 81 - 5 - HB3 ARG 85 - QG1 VAL 18 lone 4 81 - 5 - HB ILE 80 - QG1 VAL 18 lone 4 88 - 4 - HB2 LYS 109 - QG1 VAL 18 lone 3 91 - 4 - HB2 LEU 84 - QD2 LEU 58 lone 3 60 - 5 - HB3 GLU 64 - QG1 VAL 18 lone 3 92 - 3 - HB2 GLU 64 - QG1 VAL 18 lone 3 91 - 3 - HB3 PRO 30 - QG1 VAL 18 lone 3 81 - 4 - HB2 GLU 28 - QG1 VAL 18 lone 3 53 - 6 - HB2 GLU 38 - QG1 VAL 18 lone 2 89 - 2 - HB3 GLU 73 - QD2 LEU 58 lone 2 81 - 3 - HB2 ARG 81 - QD2 LEU 58 lone 2 73 - 2 - HB3 GLU 94 - QG1 VAL 18 lone 1 70 - 2 - HB2 ARG 81 - QG1 VAL 18 lone 1 63 - 2 - HB3 GLU 73 - QG1 VAL 18 lone 1 70 - 2 - Peak 3380 from cnoeabs.peaks (0.99, 0.99, 21.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 58 + QD2 LEU 58 OK 100 100 - 100 QG1 VAL 18 + QG1 VAL 18 OK 89 89 - 100 Peak 3381 from cnoeabs.peaks (1.00, 0.99, 21.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 58 + QD2 LEU 58 OK 99 99 - 100 QG1 VAL 18 + QG1 VAL 18 OK 78 78 - 100 Reference assignment not found: QD1 LEU 58 - QD2 LEU 58 Peak 3382 from cnoeabs.peaks (7.72, 1.00, 25.81 ppm; 3.90 A): 2 out of 7 assignments used, quality = 0.93: * H LEU 58 + QD1 LEU 58 OK 87 100 - 87 - 4.8=55, 3368/2.1=16...(19) H ASN 118 + QD1 LEU 58 OK 45 93 - 49 - 3.0/8021=7, 3368/2.1=6...(14) H LEU 111 - QD1 LEU 58 OK 24 76 - 32 - 4.7/7050=6, 3375/2.1=3...(12) H SER 90 - QD1 LEU 58 OK 21 100 - 21 - 3368/2.1=4, 437/4.0=3...(7) H LEU 91 - QD1 LEU 58 OK 14 73 - 19 - 4.5/8370=3, 4.5/8373=2...(9) H LEU 126 - QD1 LEU 58 OK 13 100 - 13 - 3368/2.1=2, 3375/2.1=2...(6) HE21 GLN 103 - QD1 LEU 58 OK 10 95 - 11 - 3368/2.1=2, 3375/2.1=1...(4) Peak 3383 from cnoeabs.peaks (4.25, 1.00, 25.81 ppm; 4.32 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 58 + QD1 LEU 58 OK 100 100 - 100 - 4.0=100 HB THR 19 - QD1 LEU 58 OK 38 100 - 39 - 2.1/7063=5, 3369/2.1=5...(15) HA GLU 64 - QD1 LEU 58 OK 29 99 - 29 - 3355/3.1=4, 3369/2.1=4...(12) HA GLU 94 - QD1 LEU 58 OK 24 87 - 28 - 3369/2.1=4, 3355/3.1=3...(13) HA3 GLY 48 - QD1 LEU 58 OK 21 99 - 21 - 3.0/6879=5, ~6879=3...(6) HA ALA 122 - QD1 LEU 58 OK 18 87 - 20 - 3.0/8096=5, ~8096=2...(9) HA ALA 89 - QD1 LEU 58 OK 17 97 - 17 - 3.6/3382=3, 3369/2.1=2...(8) HA THR 17 - QD1 LEU 58 poor 10 85 - 12 - 3.5/826=3, 3376/2.1=1 HA GLN 103 - QD1 LEU 58 lone 8 78 - 10 - 4722/4.8=2, 3369/2.1=1 Peak 3384 from cnoeabs.peaks (1.87, 1.00, 25.81 ppm; 3.50 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 58 + QD1 LEU 58 OK 100 100 - 100 - 3.1=100 HB3 LYS 109 + QD1 LEU 58 OK 60 99 - 61 - 4902/2.1=7, 2.9/7060=6...(31) HB2 LYS 119 - QD1 LEU 58 OK 41 95 - 44 - 3370/2.1=4, 4.0/8028=4...(18) HB3 LYS 31 - QD1 LEU 58 OK 32 95 - 34 - 3370/2.1=3, 2.9/7062=3...(13) HB2 ARG 92 - QD1 LEU 58 OK 19 100 - 19 - 3370/2.1=2, ~8404=2...(7) HG LEU 55 - QD1 LEU 58 OK 18 96 - 19 - 4.3/8292=5, 273/4.9=2...(8) HG12 ILE 22 - QD1 LEU 58 OK 17 76 - 22 - 8477=3, ~8420=3...(9) HB3 GLU 28 - QD1 LEU 58 lone 10 100 - 10 - 3.8/101=2 HG LEU 84 - QD1 LEU 58 lone 8 90 - 8 - HB VAL 50 - QD1 LEU 58 lone 6 95 - 6 - 2.1/6921=1 HG3 PRO 68 - QD1 LEU 58 lone 5 100 - 5 - Peak 3385 from cnoeabs.peaks (1.49, 1.00, 25.81 ppm; 3.62 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LEU 58 + QD1 LEU 58 OK 100 100 - 100 - 3.1=100 HB2 LEU 24 + QD1 LEU 58 OK 63 85 - 74 - 3.1/7066=20, ~8507=11...(28) HG2 LYS 109 + QD1 LEU 58 OK 53 99 - 54 - 3.7/7060=6, 2.9/3384=6...(27) HG LEU 93 - QD1 LEU 58 OK 39 100 - 39 - 7601/2.1=5, 3.0/7062=4...(15) HB2 LEU 93 - QD1 LEU 58 OK 32 78 - 41 - 1.8/7062=6, 7610/2.1=4...(20) HG LEU 91 - QD1 LEU 58 OK 30 100 - 30 - 2.1/8370=6, ~8420=3...(11) HG3 LYS 31 - QD1 LEU 58 OK 23 73 - 31 - 1.8/7062=4, 2.9/3384=3...(15) HG2 LYS 119 - QD1 LEU 58 OK 22 65 - 34 - 2.9/3384=4, 4.9/8028=3...(16) HG3 ARG 57 - QD1 LEU 58 OK 17 83 - 21 - 3.6/7038=3, 5.1/7031=3...(7) HG2 ARG 85 - QD1 LEU 58 OK 16 97 - 17 - 3371/2.1=1, 3357/3.1=1 HG3 ARG 92 - QD1 LEU 58 OK 16 81 - 20 - 3.0/3384=2, ~8404=1...(5) HG2 ARG 92 - QD1 LEU 58 OK 15 76 - 19 - 3.0/3384=2, ~8404=1...(5) HB3 LEU 114 - QD1 LEU 58 OK 11 95 - 11 - 274/4.9=1, ~7056=1 HD2 LYS 46 - QD1 LEU 58 poor 7 60 - 12 - 3.5/7061=1, 3.5/6868=1 QB ALA 14 - QD1 LEU 58 lone 4 78 - 5 - Peak 3386 from cnoeabs.peaks (1.93, 1.00, 25.81 ppm; 3.25 A): 2 out of 19 assignments used, quality = 1.00: * HG LEU 58 + QD1 LEU 58 OK 100 100 - 100 - 2.1=100 HB2 LYS 109 + QD1 LEU 58 OK 55 100 - 56 - 1.8/3384=6, 4893/3.1=6...(28) HB3 LYS 119 - QD1 LEU 58 OK 35 97 - 36 - 1.8/3384=4, 4.0/8028=3...(15) HB2 LEU 21 - QD1 LEU 58 OK 33 99 - 34 - 3.1/8198=4, ~7068=4...(18) HB ILE 80 - QD1 LEU 58 OK 31 97 - 32 - 2.1/7063=5, 3.2/7063=4...(11) HB3 GLU 64 - QD1 LEU 58 OK 17 100 - 17 - 3.0/3383=2, 3553/4.0=1...(5) HB2 GLU 64 - QD1 LEU 58 OK 17 100 - 17 - 3.0/3383=2, 3553/4.0=1...(5) HB ILE 22 - QD1 LEU 58 OK 15 76 - 20 - 2.9/8477=3, ~8477=2...(4) HB3 ARG 85 - QD1 LEU 58 OK 12 92 - 13 - HB2 ARG 85 - QD1 LEU 58 OK 12 92 - 13 - HB3 PRO 30 - QD1 LEU 58 poor 10 92 - 11 - 2.3/7061=1, 5.0/7060=1 HB3 GLU 94 - QD1 LEU 58 poor 10 81 - 12 - 2.9/3383=2 HB3 MET 11 - QD1 LEU 58 lone 7 90 - 7 - HB3 GLU 69 - QD1 LEU 58 lone 6 97 - 6 - HB2 GLU 28 - QD1 LEU 58 lone 5 63 - 8 - 3.8/101=2 HB2 GLU 38 - QD1 LEU 58 lone 4 98 - 5 - HB2 LEU 84 - QD1 LEU 58 lone 4 60 - 7 - HB3 GLU 73 - QD1 LEU 58 lone 3 81 - 4 - HB2 ARG 81 - QD1 LEU 58 lone 2 73 - 3 - Peak 3387 from cnoeabs.peaks (0.99, 1.00, 25.81 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 58 + QD1 LEU 58 OK 99 99 - 100 Reference assignment not found: QD2 LEU 58 - QD1 LEU 58 Peak 3388 from cnoeabs.peaks (1.00, 1.00, 25.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 58 + QD1 LEU 58 OK 100 100 - 100 Peak 3389 from cnoeabs.peaks (8.67, 4.67, 51.67 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 59 + HA LEU 59 OK 100 100 - 100 - 3.0=100 H LEU 117 - HA LEU 59 OK 40 99 - 41 - 3403/3.0=7, 3417/4.0=6...(11) H VAL 120 - HA LEU 59 OK 29 90 - 33 - 3403/3.0=6, 3410/4.2=5...(9) H ASN 12 - HA LEU 59 OK 11 100 - 11 - 3403/3.0=2, 7092/3.8=2...(6) Peak 3390 from cnoeabs.peaks (4.67, 4.67, 51.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 59 + HA LEU 59 OK 100 100 - 100 Peak 3391 from cnoeabs.peaks (1.62, 4.67, 51.67 ppm; 4.31 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LEU 59 + HA LEU 59 OK 100 100 - 100 - 3.0=100 HD3 LYS 31 - HA LEU 59 OK 42 100 - 42 - 3.0/3392=5, 3405/3.0=4...(24) HD2 LYS 31 - HA LEU 59 OK 42 100 - 42 - 3.0/3392=5, 3405/3.0=4...(24) HB3 LEU 126 - HA LEU 59 OK 39 81 - 49 - 3397=8, 1.8/3397=6...(17) HB2 LEU 126 - HA LEU 59 OK 38 78 - 49 - 3397=8, 1.8/3397=7...(17) HG LEU 126 - HA LEU 59 OK 27 60 - 45 - 2.1/3395=7, 3.0/3397=5...(24) HG LEU 51 - HA LEU 59 OK 23 97 - 24 - 3.0/3393=3, 3089/3.8=3...(15) HD3 LYS 119 - HA LEU 59 OK 18 65 - 28 - 3.0/3392=4, 1054/3.0=2...(12) HG LEU 27 - HA LEU 59 OK 18 63 - 29 - 3.0/3393=5, 8619/4.0=3...(15) HD2 LYS 119 - HA LEU 59 OK 18 63 - 28 - 3.0/3392=4, 1054/3.0=2...(12) HG3 ARG 85 - HA LEU 59 OK 14 81 - 18 - 3.0/7075=4, 4313/3.8=2...(7) HG2 PRO 30 - HA LEU 59 poor 10 97 - 10 - HG LEU 101 - HA LEU 59 lone 6 100 - 6 - HG2 ARG 53 - HA LEU 59 lone 6 93 - 6 - HB3 GLN 42 - HA LEU 59 lone 5 96 - 5 - HD3 LYS 32 - HA LEU 59 lone 5 93 - 5 - HD2 LYS 32 - HA LEU 59 lone 5 93 - 5 - HB3 LYS 32 - HA LEU 59 lone 5 92 - 5 - HG12 ILE 63 - HA LEU 59 lone 3 78 - 4 - HB ILE 34 - HA LEU 59 lone 3 76 - 3 - Peak 3392 from cnoeabs.peaks (1.35, 4.67, 51.67 ppm; 3.93 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 59 + HA LEU 59 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 - HA LEU 59 OK 28 76 - 38 - 1055/3.0=4, 3399/3.0=4...(21) HG3 LYS 119 - HA LEU 59 OK 24 68 - 36 - 1055/3.0=4, ~5915=3...(16) HG3 LYS 46 - HA LEU 59 OK 14 89 - 16 - 1055/3.0=2, 3399/3.0=2...(8) HG2 LYS 46 - HA LEU 59 OK 14 89 - 16 - 1055/3.0=2, 3399/3.0=2...(8) QG2 THR 121 - HA LEU 59 OK 11 60 - 18 - 8071/3.0=4, 7090/3.8=4...(6) QG2 THR 17 - HA LEU 59 lone 5 89 - 5 - QB ALA 43 - HA LEU 59 lone 4 96 - 4 - QG2 THR 23 - HA LEU 59 lone 1 60 - 1 - Peak 3393 from cnoeabs.peaks (1.40, 4.67, 51.67 ppm; 3.61 A): 6 out of 10 assignments used, quality = 0.94: * HG LEU 59 + HA LEU 59 OK 85 100 - 85 - 4.2=62, 2.1/3425=30...(16) HB2 LEU 27 + HA LEU 59 OK 24 100 - 24 - 3407/3.0=4, 1056/3.0=4...(8) HB2 LEU 51 + HA LEU 59 OK 16 87 - 18 - 3075/3.8=3, 3407/3.0=3...(8) HB3 LEU 93 + HA LEU 59 OK 15 85 - 18 - 1056/3.0=3, 3407/3.0=2...(7) QG2 THR 121 + HA LEU 59 OK 12 71 - 17 - 8071/3.0=4, 8092/3.8=4...(5) QB ALA 122 + HA LEU 59 OK 11 97 - 12 - ~1804=2, 8094/3.0=2...(5) HB2 LEU 111 - HA LEU 59 lone 8 96 - 8 - 1056/3.0=2, 3407/3.0=1 HB3 LEU 91 - HA LEU 59 lone 6 65 - 9 - ~7590=2, 1056/3.0=1, 3407/3.0=1 HB VAL 110 - HA LEU 59 lone 6 99 - 6 - 1056/3.0=2 QB ALA 98 - HA LEU 59 lone 1 81 - 2 - Peak 3394 from cnoeabs.peaks (0.84, 4.67, 51.67 ppm; 5.42 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 59 + HA LEU 59 OK 100 100 - 100 - 4.0=100 QD2 LEU 55 + HA LEU 59 OK 47 99 - 48 - 3418=9, 1057/3.0=7...(12) QD1 LEU 93 - HA LEU 59 OK 33 95 - 35 - 1057/3.0=5, 3408/3.0=4...(14) QD2 LEU 114 - HA LEU 59 OK 31 97 - 32 - 7955/3.0=11, 7959/3.0=6...(10) HB2 ASN 118 - HA LEU 59 OK 30 83 - 37 - 3.0/7076=9, ~7072=8...(9) HG13 ILE 22 - HA LEU 59 OK 30 100 - 30 - 8476/4.2=5, 3408/3.0=5...(10) QD2 LEU 91 - HA LEU 59 OK 15 68 - 21 - 7590/3.0=6, ~274=2...(8) QG1 VAL 115 - HA LEU 59 OK 13 96 - 13 - 1057/3.0=3, 3408/3.0=2...(5) HG13 ILE 80 - HA LEU 59 OK 12 65 - 18 - ~7077=2, ~275=2...(9) Peak 3395 from cnoeabs.peaks (0.88, 4.67, 51.67 ppm; 3.56 A): 2 out of 8 assignments used, quality = 0.92: * QD2 LEU 59 + HA LEU 59 OK 89 100 - 89 - 4.0=72, 3427/3.0=16...(12) QD2 LEU 126 + HA LEU 59 OK 31 97 - 33 - 3409/3.0=4, 3.1/3397=4...(14) QD1 LEU 117 - HA LEU 59 OK 20 65 - 31 - 3425=7, 4.6/3389=3...(13) QD1 LEU 126 - HA LEU 59 OK 20 68 - 29 - 3.1/3397=4, 3.1/3397=3...(15) QD1 ILE 124 - HA LEU 59 OK 14 100 - 14 - 8120/3.0=3, 7091/3.8=2...(6) QD2 LEU 41 - HA LEU 59 OK 12 99 - 12 - 7091/3.8=3, 7089/3.8=3...(4) HG13 ILE 80 - HA LEU 59 OK 12 95 - 13 - 1058/3.0=2, 3409/3.0=2...(4) QG1 VAL 49 - HA LEU 59 lone 9 100 - 9 - 7091/3.8=2, 7089/3.8=1...(4) Peak 3396 from cnoeabs.peaks (8.67, 1.62, 43.20 ppm; 4.04 A): 1 out of 12 assignments used, quality = 1.00: * H LEU 59 + HB2 LEU 59 OK 100 100 - 100 - 3.7=100 H LEU 117 - HB2 LEU 59 OK 38 99 - 38 - 3403/1.8=7, 3417/3.2=6...(12) H VAL 120 - HB2 LEU 59 OK 29 90 - 32 - 3403/1.8=7, 3410/3.0=5...(9) H LEU 59 - HB3 LEU 126 OK 25 73 - 35 - 3.0/3397=5, 1058/3.1=4...(14) H LEU 59 - HB2 LEU 126 OK 24 70 - 34 - 3.0/3397=5, 1058/3.1=4...(14) H ASN 12 - HB2 LEU 59 OK 11 100 - 11 - 3403/1.8=2, 3389/3.0=2...(6) H LEU 117 - HB3 LEU 126 lone 5 71 - 6 - 1520/4.0=2, 1373/3.1=1 H LEU 117 - HB2 LEU 126 lone 4 69 - 6 - 1520/4.0=2, 1373/3.1=1 H VAL 120 - HB3 LEU 126 lone 3 60 - 4 - H VAL 120 - HB2 LEU 126 lone 2 58 - 4 - H ASN 12 - HB3 LEU 126 lone 1 72 - 1 - H ASN 12 - HB2 LEU 126 lone 1 70 - 1 - Peak 3397 from cnoeabs.peaks (4.67, 1.62, 43.20 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 59 + HB2 LEU 59 OK 100 100 - 100 - 3.0=100 HA LEU 59 - HB3 LEU 126 OK 36 73 - 50 - 3395/3.1=6, 3.0/3399=5...(22) HA LEU 59 - HB2 LEU 126 OK 35 70 - 50 - 3395/3.1=6, 3.0/3399=5...(22) HA ASN 106 - HB2 LEU 59 OK 17 73 - 22 - 3404/1.8=5, 3411/3.0=4...(7) HA ASN 106 - HB3 LEU 126 lone 1 46 - 2 - HA ASN 106 - HB2 LEU 126 lone 1 44 - 2 - Peak 3398 from cnoeabs.peaks (1.62, 1.62, 43.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 59 + HB2 LEU 59 OK 100 100 - 100 HB3 LEU 126 + HB3 LEU 126 OK 51 51 - 100 HB2 LEU 126 + HB2 LEU 126 OK 48 48 - 100 Peak 3399 from cnoeabs.peaks (1.35, 1.62, 43.20 ppm; 3.09 A): 1 out of 27 assignments used, quality = 1.00: * HB3 LEU 59 + HB2 LEU 59 OK 100 100 - 100 - 1.8=100 HB3 LEU 59 - HB3 LEU 126 OK 27 73 - 37 - 3405=4, 3409/3.1=3...(13) HB3 LEU 59 - HB2 LEU 126 OK 26 70 - 37 - 3405=4, 3409/3.1=3...(13) HG2 LYS 31 - HB2 LEU 59 OK 23 76 - 31 - 2431=3, 3413/3.0=3...(16) HG3 LYS 119 - HB2 LEU 59 OK 15 68 - 22 - 3413/3.0=2, 3392/3.0=2...(9) HG2 LYS 46 - HB2 LEU 59 OK 12 89 - 13 - 3413/3.0=1, 3427/3.2=1...(5) HG3 LYS 46 - HB2 LEU 59 OK 12 89 - 13 - 3413/3.0=1, 3427/3.2=1...(5) QG2 THR 121 - HB2 LEU 59 poor 7 60 - 13 - 2.1/8081=2, 8071/3.7=2...(4) QB ALA 43 - HB2 LEU 59 lone 4 96 - 4 - QG2 THR 17 - HB2 LEU 59 lone 3 89 - 4 - HG2 LYS 31 - HB3 LEU 126 lone 2 48 - 3 - HG3 LYS 119 - HB3 LEU 126 lone 1 42 - 3 - HG2 LYS 31 - HB2 LEU 126 lone 1 46 - 3 - HG3 LYS 119 - HB2 LEU 126 lone 1 41 - 3 - QG2 THR 17 - HB3 LEU 126 lone 1 58 - 2 - QG2 THR 17 - HB2 LEU 126 lone 1 56 - 2 - QG2 THR 121 - HB3 LEU 126 lone 1 36 - 2 - QG2 THR 121 - HB2 LEU 126 lone 1 35 - 2 - QG2 THR 23 - HB2 LEU 59 lone 1 60 - 1 - HG2 LYS 46 - HB3 LEU 126 lone 1 58 - 1 - HG3 LYS 46 - HB3 LEU 126 lone 1 58 - 1 - HG2 LYS 46 - HB2 LEU 126 lone 1 56 - 1 - HG3 LYS 46 - HB2 LEU 126 lone 1 56 - 1 - QB ALA 43 - HB3 LEU 126 lone 0 65 - 1 - QB ALA 43 - HB2 LEU 126 lone 0 63 - 1 - QG2 THR 23 - HB3 LEU 126 lone 0 36 - 0 - QG2 THR 23 - HB2 LEU 126 lone 0 35 - 0 - Peak 3400 from cnoeabs.peaks (1.40, 1.62, 43.20 ppm; 3.34 A): 1 out of 30 assignments used, quality = 1.00: * HG LEU 59 + HB2 LEU 59 OK 100 100 - 100 - 3.0=100 HB2 LEU 27 - HB2 LEU 59 OK 29 100 - 29 - 3407/1.8=5, 3393/3.0=3...(12) HG LEU 59 - HB3 LEU 126 OK 29 73 - 40 - 3412=4, 3416/3.1=4...(22) HG LEU 59 - HB2 LEU 126 OK 28 70 - 40 - 3412=4, 3416/3.1=4...(22) HB2 LEU 51 - HB2 LEU 59 OK 23 87 - 26 - 3407/1.8=3, 3393/3.0=2...(14) HB3 LEU 93 - HB2 LEU 59 OK 17 85 - 20 - 3407/1.8=3, 1056/3.7=2...(7) QG2 THR 121 - HB2 LEU 59 OK 12 71 - 16 - 8071/3.7=3, 2.1/8081=3...(5) HB2 LEU 111 - HB2 LEU 59 lone 8 96 - 9 - 3407/1.8=2, 1056/3.7=2 QB ALA 122 - HB2 LEU 59 lone 8 97 - 8 - 8094/3.7=2, 3393/3.0=1 HB VAL 110 - HB2 LEU 59 lone 7 99 - 7 - 1056/3.7=1, 3407/1.8=1 HB3 LEU 91 - HB2 LEU 59 lone 7 65 - 10 - 3407/1.8=1 HB2 LEU 27 - HB3 LEU 126 lone 3 71 - 4 - HB2 LEU 27 - HB2 LEU 126 lone 3 69 - 4 - QB ALA 98 - HB2 LEU 59 lone 2 81 - 3 - QG2 THR 121 - HB3 LEU 126 lone 1 44 - 3 - QG2 THR 121 - HB2 LEU 126 lone 1 42 - 3 - HB2 LEU 111 - HB3 LEU 126 lone 1 65 - 1 - HB2 LEU 111 - HB2 LEU 126 lone 1 63 - 1 - HB VAL 110 - HB3 LEU 126 lone 1 69 - 1 - HB VAL 110 - HB2 LEU 126 lone 1 67 - 1 - HB3 LEU 93 - HB3 LEU 126 lone 1 55 - 1 - HB3 LEU 93 - HB2 LEU 126 lone 1 53 - 1 - HB2 LEU 51 - HB3 LEU 126 lone 1 57 - 1 - HB2 LEU 51 - HB2 LEU 126 lone 1 55 - 1 - HB3 LEU 91 - HB3 LEU 126 lone 1 40 - 1 - HB3 LEU 91 - HB2 LEU 126 lone 1 39 - 1 - QB ALA 122 - HB3 LEU 126 lone 0 66 - 1 - QB ALA 122 - HB2 LEU 126 lone 0 64 - 1 - QB ALA 98 - HB3 LEU 126 lone 0 51 - 1 - QB ALA 98 - HB2 LEU 126 lone 0 50 - 1 - Peak 3401 from cnoeabs.peaks (0.84, 1.62, 43.20 ppm; 3.31 A): 1 out of 27 assignments used, quality = 1.00: * QD1 LEU 59 + HB2 LEU 59 OK 100 100 - 100 - 3.2=100 QD2 LEU 55 - HB2 LEU 59 OK 28 99 - 28 - 3408/1.8=4, 3415/3.0=3...(10) QD1 LEU 59 - HB3 LEU 126 OK 26 73 - 36 - 2.1/3400=3, 3.2/3399=3...(19) QD1 LEU 59 - HB2 LEU 126 OK 25 70 - 36 - 2.1/3400=3, 3.2/3399=3...(19) HG13 ILE 22 - HB2 LEU 59 OK 22 100 - 22 - 3408/1.8=3, 3415/3.0=3...(11) QD1 LEU 93 - HB2 LEU 59 OK 18 95 - 19 - 3408/1.8=3, 3415/3.0=2...(8) QD2 LEU 114 - HB2 LEU 59 OK 18 97 - 18 - 7959/1.8=4, 7955/3.7=4...(6) HB2 ASN 118 - HB2 LEU 59 OK 12 83 - 15 - 5179/4.8=2, 3408/1.8=2...(8) HG13 ILE 80 - HB2 LEU 59 poor 9 65 - 14 - 3.0/7077=2, 3408/1.8=1...(6) QG1 VAL 115 - HB2 LEU 59 lone 8 96 - 8 - 3408/1.8=1, 1057/3.7=1 QD2 LEU 91 - HB2 LEU 59 poor 8 68 - 11 - 7590/3.7=2, 3408/1.8=1, ~8371=1 QD2 LEU 55 - HB3 LEU 126 lone 7 71 - 10 - 7020/4.0=1 HG13 ILE 22 - HB3 LEU 126 lone 7 72 - 9 - 2169/3.0=1 QD2 LEU 55 - HB2 LEU 126 lone 7 69 - 10 - 7020/4.0=1 HG13 ILE 22 - HB2 LEU 126 lone 7 70 - 9 - 2169/3.0=1 QG1 VAL 115 - HB3 LEU 126 lone 3 65 - 4 - QG1 VAL 115 - HB2 LEU 126 lone 3 63 - 4 - QD2 LEU 114 - HB3 LEU 126 lone 2 67 - 3 - QD2 LEU 114 - HB2 LEU 126 lone 2 65 - 3 - HG13 ILE 80 - HB3 LEU 126 lone 2 40 - 4 - HG13 ILE 80 - HB2 LEU 126 lone 2 39 - 4 - QD1 LEU 93 - HB3 LEU 126 lone 1 64 - 2 - QD1 LEU 93 - HB2 LEU 126 lone 1 62 - 2 - HB2 ASN 118 - HB3 LEU 126 lone 1 53 - 2 - HB2 ASN 118 - HB2 LEU 126 lone 1 51 - 2 - QD2 LEU 91 - HB3 LEU 126 lone 1 42 - 2 - QD2 LEU 91 - HB2 LEU 126 lone 1 41 - 2 - Peak 3402 from cnoeabs.peaks (0.88, 1.62, 43.20 ppm; 2.97 A): 3 out of 24 assignments used, quality = 0.99: * QD2 LEU 59 + HB2 LEU 59 OK 90 100 - 90 - 3.2=83, 3427/1.8=17...(8) QD2 LEU 126 + HB3 LEU 126 OK 62 67 - 92 - 3.1=84, 5418/3.0=14...(16) QD2 LEU 126 + HB2 LEU 126 OK 60 65 - 92 - 3.1=84, 5418/3.0=14...(16) QD1 LEU 126 - HB3 LEU 126 OK 38 42 - 91 - 3.1=84, 2.1/5420=6...(17) QD1 LEU 126 - HB2 LEU 126 OK 37 41 - 91 - 3.1=84, 2.1/5420=6...(17) QD2 LEU 126 - HB2 LEU 59 OK 28 97 - 29 - 3409/1.8=4, 3416/3.0=3...(12) QD2 LEU 59 - HB3 LEU 126 OK 21 73 - 30 - 2.1/3400=3, 3426=2...(15) QD2 LEU 59 - HB2 LEU 126 OK 21 70 - 29 - 2.1/3400=3, 5416/3.1=2...(14) QD1 LEU 126 - HB2 LEU 59 OK 17 68 - 25 - 3409/1.8=3, ~3409=2...(14) QD1 LEU 117 - HB2 LEU 59 OK 16 65 - 24 - 3425/3.0=3, 3427/1.8=3...(10) QD1 ILE 124 - HB2 LEU 59 OK 14 100 - 14 - 3409/1.8=2, 3416/3.0=2...(6) HG13 ILE 80 - HB2 LEU 59 OK 14 95 - 15 - 3409/1.8=2, 3416/3.0=2...(6) QG1 VAL 49 - HB3 LEU 126 OK 14 73 - 19 - 5388/3.0=3, 5416/3.1=3...(6) QG1 VAL 49 - HB2 LEU 126 OK 13 70 - 19 - 5388/3.0=3, 5416/3.1=3...(6) QD2 LEU 41 - HB2 LEU 59 OK 11 99 - 11 - 3409/1.8=2, 7091/4.8=1...(4) QG1 VAL 49 - HB2 LEU 59 lone 7 100 - 7 - QD2 LEU 41 - HB3 LEU 126 lone 5 70 - 7 - 5416/3.1=1 QD2 LEU 41 - HB2 LEU 126 lone 5 68 - 7 - 5416/3.1=1 QD1 ILE 124 - HB3 LEU 126 lone 4 71 - 5 - 1425/4.0=1 QD1 ILE 124 - HB2 LEU 126 lone 4 69 - 5 - 1425/4.0=1 HG13 ILE 80 - HB3 LEU 126 lone 3 64 - 4 - HG13 ILE 80 - HB2 LEU 126 lone 3 62 - 4 - QD1 LEU 117 - HB3 LEU 126 lone 2 40 - 4 - QD1 LEU 117 - HB2 LEU 126 lone 2 39 - 4 - Peak 3403 from cnoeabs.peaks (8.67, 1.35, 43.20 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 59 + HB3 LEU 59 OK 100 100 - 100 - 3.7=100 H LEU 117 - HB3 LEU 59 OK 43 99 - 43 - 3410/3.0=7, 3389/3.0=7...(12) H VAL 120 - HB3 LEU 59 OK 39 90 - 44 - 4.0/7079=7, 3410/3.0=6...(15) H ASN 12 - HB3 LEU 59 OK 13 100 - 12 - 3396/1.8=2, 3389/3.0=2...(7) Peak 3404 from cnoeabs.peaks (4.67, 1.35, 43.20 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 59 + HB3 LEU 59 OK 100 100 - 100 - 3.0=100 HA ASN 106 - HB3 LEU 59 OK 14 73 - 19 - 3397/1.8=3, 3411/3.0=3...(7) Peak 3405 from cnoeabs.peaks (1.62, 1.35, 43.20 ppm; 3.14 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LEU 59 + HB3 LEU 59 OK 100 100 - 100 - 1.8=100 HD3 LYS 31 - HB3 LEU 59 OK 32 100 - 32 - 3.4/7080=2, 2459=2...(16) HD2 LYS 31 - HB3 LEU 59 OK 32 100 - 32 - 3.4/7080=2, 2449=2...(16) HB3 LEU 126 - HB3 LEU 59 OK 31 81 - 38 - 3399=5, 1.8/3399=4...(13) HB2 LEU 126 - HB3 LEU 59 OK 30 78 - 38 - 3399=5, 1.8/3399=4...(13) HG LEU 126 - HB3 LEU 59 OK 20 60 - 33 - 2.1/3409=4, 3.0/3399=3...(15) HG LEU 51 - HB3 LEU 59 OK 17 97 - 18 - 3.0/3407=2, ~6929=2...(7) HG LEU 27 - HB3 LEU 59 OK 14 63 - 22 - 3.0/3407=3, 2.1/8265=2...(7) HD3 LYS 119 - HB3 LEU 59 OK 12 65 - 18 - 3.7/7080=2, 1054/3.7=1 HD2 LYS 119 - HB3 LEU 59 OK 11 63 - 18 - 3.7/7080=2, 1054/3.7=1 HG2 PRO 30 - HB3 LEU 59 lone 8 97 - 8 - ~7083=1, ~7086=1 HG3 ARG 85 - HB3 LEU 59 lone 6 81 - 7 - HB3 GLN 42 - HB3 LEU 59 lone 4 96 - 5 - HG LEU 101 - HB3 LEU 59 lone 4 100 - 4 - HG2 ARG 53 - HB3 LEU 59 lone 4 93 - 4 - HB3 LYS 32 - HB3 LEU 59 lone 4 92 - 4 - HD2 LYS 32 - HB3 LEU 59 lone 4 93 - 4 - HD3 LYS 32 - HB3 LEU 59 lone 4 93 - 4 - HG12 ILE 63 - HB3 LEU 59 lone 2 78 - 3 - HB ILE 34 - HB3 LEU 59 lone 2 76 - 2 - Peak 3406 from cnoeabs.peaks (1.35, 1.35, 43.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 59 + HB3 LEU 59 OK 100 100 - 100 Peak 3407 from cnoeabs.peaks (1.40, 1.35, 43.20 ppm; 3.28 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 59 + HB3 LEU 59 OK 100 100 - 100 - 3.0=100 HB2 LEU 27 - HB3 LEU 59 OK 27 100 - 28 - 3400/1.8=4, 3393/3.0=3...(11) HB2 LEU 51 - HB3 LEU 59 OK 19 87 - 22 - 3400/1.8=3, 3393/3.0=2...(10) HB3 LEU 93 - HB3 LEU 59 OK 17 85 - 20 - 1056/3.7=2, 3.1/3408=2...(7) QG2 THR 121 - HB3 LEU 59 OK 13 71 - 18 - 8071/3.7=3, 8092/4.8=2...(5) HB2 LEU 111 - HB3 LEU 59 lone 9 96 - 9 - 1056/3.7=1, 3.1/8166=1 QB ALA 122 - HB3 LEU 59 lone 8 97 - 8 - 8094/3.7=2, 3393/3.0=1 HB3 LEU 91 - HB3 LEU 59 poor 7 65 - 10 - 3.1/8371=1 HB VAL 110 - HB3 LEU 59 lone 7 99 - 7 - 1056/3.7=1 QB ALA 98 - HB3 LEU 59 lone 2 81 - 3 - Peak 3408 from cnoeabs.peaks (0.84, 1.35, 43.20 ppm; 3.53 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 59 + HB3 LEU 59 OK 100 100 - 100 - 3.2=100 QD2 LEU 55 - HB3 LEU 59 OK 30 99 - 31 - 3415/3.0=4, 3420=3...(11) QD2 LEU 114 - HB3 LEU 59 OK 25 97 - 26 - 7959=6, 7955/3.7=4...(9) HG13 ILE 22 - HB3 LEU 59 OK 24 100 - 24 - 3415/3.0=3, 3401/1.8=3...(12) QD1 LEU 93 - HB3 LEU 59 OK 22 95 - 24 - 3415/3.0=3, 3.1/3407=2...(8) HB2 ASN 118 - HB3 LEU 59 OK 14 83 - 17 - 5179/4.8=2, 1057/3.7=2...(10) QG1 VAL 115 - HB3 LEU 59 OK 11 96 - 11 - 2.1/7977=1, 1057/3.7=1...(4) HG13 ILE 80 - HB3 LEU 59 OK 10 65 - 16 - 3.0/7080=1, 3415/3.0=1...(10) QD2 LEU 91 - HB3 LEU 59 poor 10 68 - 14 - 7590/3.7=2, 2.1/8371=2 Peak 3409 from cnoeabs.peaks (0.88, 1.35, 43.20 ppm; 3.48 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 59 + HB3 LEU 59 OK 100 100 - 100 - 3.2=100 QD2 LEU 126 - HB3 LEU 59 OK 38 97 - 40 - 3395/3.0=4, 3416/3.0=4...(18) QD1 LEU 126 - HB3 LEU 59 OK 25 68 - 36 - 3.1/3399=3, 3.1/3399=3...(20) QD1 ILE 124 - HB3 LEU 59 OK 22 100 - 22 - 8120=3, 3416/3.0=2...(12) QD1 LEU 117 - HB3 LEU 59 OK 22 65 - 33 - 3425/3.0=4, 3427=4...(14) HG13 ILE 80 - HB3 LEU 59 OK 18 95 - 19 - 3416/3.0=2, 1058/3.7=2...(11) QD2 LEU 41 - HB3 LEU 59 OK 16 99 - 16 - 7091/4.8=2, 7089/4.8=2...(6) QG1 VAL 49 - HB3 LEU 59 lone 9 100 - 9 - 3395/3.0=1, 6904/1.8=1...(5) Peak 3410 from cnoeabs.peaks (8.67, 1.40, 26.19 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 59 + HG LEU 59 OK 93 100 - 93 - 5.1=74, ~3425=21...(11) H LEU 117 + HG LEU 59 OK 47 99 - 47 - 3417/2.1=9, 3403/3.0=8...(11) H VAL 120 - HG LEU 59 OK 42 90 - 47 - 3.6/6272=7, 3403/3.0=7...(12) H ASN 12 - HG LEU 59 OK 11 100 - 11 - 3403/3.0=2, 3396/3.0=2...(5) Peak 3411 from cnoeabs.peaks (4.67, 1.40, 26.19 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 59 + HG LEU 59 OK 100 100 - 100 - 4.2=100 HA ASN 106 - HG LEU 59 OK 13 73 - 17 - 3404/3.0=5, 3418/2.1=4...(5) Peak 3412 from cnoeabs.peaks (1.62, 1.40, 26.19 ppm; 3.58 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LEU 59 + HG LEU 59 OK 100 100 - 100 - 3.0=100 HB3 LEU 126 - HG LEU 59 OK 36 81 - 45 - 3400=5, 3.1/3416=4...(23) HD3 LYS 31 - HG LEU 59 OK 35 100 - 35 - 3.0/3413=4, 3.4/8414=3...(17) HD2 LYS 31 - HG LEU 59 OK 35 100 - 35 - 3.0/3413=4, 3.4/8414=3...(17) HB2 LEU 126 - HG LEU 59 OK 35 78 - 45 - 3400=5, 3.1/3416=4...(23) HG LEU 51 - HG LEU 59 OK 24 97 - 25 - ~6929=3, 3090=2...(10) HG LEU 126 - HG LEU 59 OK 22 60 - 37 - 2.1/3416=5, 2.1/3416=3...(17) HG LEU 27 - HG LEU 59 OK 21 63 - 33 - 2.1/2299=4, 3.0/2278=3...(15) HD3 LYS 119 - HG LEU 59 OK 15 65 - 23 - 3.0/3413=3, 3.7/8414=3...(6) HD2 LYS 119 - HG LEU 59 OK 14 63 - 23 - 3.0/3413=3, 3.7/8414=3...(6) HG2 PRO 30 - HG LEU 59 OK 12 97 - 12 - ~7083=2, ~7086=2, ~7084=1 HG LEU 101 - HG LEU 59 lone 6 100 - 6 - ~7713=1 HG3 ARG 85 - HG LEU 59 lone 6 81 - 7 - ~8645=1 HG2 ARG 53 - HG LEU 59 lone 5 93 - 5 - HB3 GLN 42 - HG LEU 59 lone 4 96 - 4 - HB3 LYS 32 - HG LEU 59 lone 4 92 - 4 - HD2 LYS 32 - HG LEU 59 lone 4 93 - 4 - HD3 LYS 32 - HG LEU 59 lone 4 93 - 4 - HB ILE 34 - HG LEU 59 lone 2 76 - 3 - HG12 ILE 63 - HG LEU 59 lone 2 78 - 3 - Peak 3413 from cnoeabs.peaks (1.35, 1.40, 26.19 ppm; 3.20 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 59 + HG LEU 59 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 - HG LEU 59 OK 21 76 - 29 - 3427/2.1=3, 3420/2.1=3...(10) HG3 LYS 119 - HG LEU 59 OK 17 68 - 24 - 4.0/6272=3, 2.9/8414=3...(9) HG3 LYS 46 - HG LEU 59 OK 11 89 - 12 - 3427/2.1=2, 3420/2.1=2...(5) HG2 LYS 46 - HG LEU 59 OK 11 89 - 12 - 3427/2.1=2, 3420/2.1=2...(5) QG2 THR 121 - HG LEU 59 poor 8 60 - 13 - 8071/5.1=1, ~8081=1...(4) QG2 THR 17 - HG LEU 59 lone 4 89 - 4 - QB ALA 43 - HG LEU 59 lone 3 96 - 4 - QG2 THR 23 - HG LEU 59 lone 1 60 - 1 - Peak 3414 from cnoeabs.peaks (1.40, 1.40, 26.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 59 + HG LEU 59 OK 100 100 - 100 Peak 3415 from cnoeabs.peaks (0.84, 1.40, 26.19 ppm; 3.13 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 59 + HG LEU 59 OK 100 100 - 100 - 2.1=100 QD2 LEU 55 - HG LEU 59 OK 27 99 - 27 - 3421=3, 3408/3.0=3...(11) HG13 ILE 22 - HG LEU 59 OK 23 100 - 23 - 3408/3.0=2, 1.8/8414=2...(11) QD1 LEU 93 - HG LEU 59 OK 19 95 - 20 - 4508=3, 3408/3.0=2...(4) QD2 LEU 114 - HG LEU 59 OK 15 97 - 16 - 7959/3.0=3, 7955/5.1=2...(4) HG13 ILE 80 - HG LEU 59 poor 10 65 - 15 - 2.1/8342=2, 3.2/7400=2...(7) HB2 ASN 118 - HG LEU 59 poor 10 83 - 12 - 3.0/8023=2, ~8644=1...(4) QD2 LEU 91 - HG LEU 59 poor 8 68 - 11 - 7590/5.1=1 QG1 VAL 115 - HG LEU 59 lone 7 96 - 8 - Peak 3416 from cnoeabs.peaks (0.88, 1.40, 26.19 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 59 + HG LEU 59 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 - HG LEU 59 OK 31 97 - 32 - 3423/2.1=4, 3409/3.0=4...(13) QD1 LEU 117 - HG LEU 59 OK 21 65 - 31 - 3428=3, 3423/2.1=3...(14) QD1 LEU 126 - HG LEU 59 OK 20 68 - 29 - 5416/2.1=3, 3.1/3400=2...(12) HG13 ILE 80 - HG LEU 59 OK 18 95 - 19 - 2.1/8342=2, 3423/2.1=2...(10) QD1 ILE 124 - HG LEU 59 OK 17 100 - 17 - 8120/3.0=2, 8120=2...(7) QD2 LEU 41 - HG LEU 59 lone 10 99 - 10 - 3409/3.0=2, 3423/2.1=1 QG1 VAL 49 - HG LEU 59 lone 6 100 - 6 - Peak 3417 from cnoeabs.peaks (8.67, 0.84, 25.70 ppm; 3.99 A): 3 out of 8 assignments used, quality = 0.96: * H LEU 59 + QD1 LEU 59 OK 87 100 - 87 - 4.6=67, ~3425=16...(10) H LEU 117 + QD1 LEU 59 OK 50 99 - 51 - 3410/2.1=7, 3403/3.2=6...(16) H VAL 120 + QD1 LEU 59 OK 33 90 - 36 - 3410/2.1=6, 3403/3.2=5...(12) H LEU 59 - QD2 LEU 55 OK 27 59 - 46 - 6999/4.0=8, 1057=8...(13) H LEU 117 - QD2 LEU 55 OK 18 57 - 31 - 6999/4.0=5, 8499/2.1=4...(9) H VAL 120 - QD2 LEU 55 OK 15 48 - 32 - 6999/4.0=6, 8499/2.1=4...(10) H ASN 12 - QD1 LEU 59 lone 9 100 - 9 - 3403/3.2=2, 3410/2.1=2...(5) H ASN 12 - QD2 LEU 55 lone 3 59 - 5 - 6999/4.0=1 Peak 3418 from cnoeabs.peaks (4.67, 0.84, 25.70 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 59 + QD1 LEU 59 OK 100 100 - 100 - 4.0=100 HA LEU 59 - QD2 LEU 55 OK 26 59 - 45 - 3.0/1057=7, 3394=7...(13) HA ASN 106 - QD1 LEU 59 OK 15 73 - 20 - 3404/3.2=5, 3411/2.1=5...(5) HA ASN 106 - QD2 LEU 55 lone 1 36 - 3 - Peak 3419 from cnoeabs.peaks (1.62, 0.84, 25.70 ppm; 3.60 A): 1 out of 40 assignments used, quality = 1.00: * HB2 LEU 59 + QD1 LEU 59 OK 100 100 - 100 - 3.2=100 HB3 LEU 126 - QD1 LEU 59 OK 36 81 - 45 - 3401=4, 3400/2.1=4...(23) HB2 LEU 126 - QD1 LEU 59 OK 35 78 - 45 - 3401=4, 3400/2.1=4...(23) HD3 LYS 31 - QD1 LEU 59 OK 34 100 - 35 - 3412/2.1=3, 3.0/3420=3...(16) HD2 LYS 31 - QD1 LEU 59 OK 34 100 - 35 - 3412/2.1=3, 3.0/3420=3...(16) HG LEU 51 - QD1 LEU 59 OK 23 97 - 24 - 2.1/6929=6, 3.0/3421=2...(8) HG LEU 126 - QD1 LEU 59 OK 21 60 - 36 - 2.1/3423=4, ~3416=3...(17) HB2 LEU 59 - QD2 LEU 55 OK 20 59 - 35 - 1.8/3408=5, 3401=4...(12) HD2 LYS 31 - QD2 LEU 55 OK 19 59 - 33 - 2457/3.1=2, ~3243=2...(20) HD3 LYS 31 - QD2 LEU 55 OK 19 59 - 33 - 2457/3.1=2, ~3243=2...(20) HG LEU 27 - QD1 LEU 59 OK 18 63 - 28 - 8619=4, 3.0/3421=4...(13) HD3 LYS 119 - QD1 LEU 59 OK 15 65 - 23 - 3.0/3420=2, 3.7/8030=2...(10) HG2 PRO 30 - QD1 LEU 59 OK 15 97 - 15 - 2.3/7083=4, 1.8/7084=2...(5) HD2 LYS 119 - QD1 LEU 59 OK 14 63 - 23 - 3.0/3420=2, 3.7/8030=2...(9) HG2 ARG 53 - QD2 LEU 55 OK 13 50 - 27 - 3.0/6971=2, 3148/3.1=2...(11) HG12 ILE 63 - QD2 LEU 55 poor 10 39 - 25 - 7133/4.8=5, ~8310=3...(10) HG3 ARG 85 - QD1 LEU 59 lone 7 81 - 8 - ~8645=2, 5.0/7508=1 HG LEU 101 - QD1 LEU 59 lone 6 100 - 6 - 2.1/7713=2 HG2 ARG 53 - QD1 LEU 59 lone 6 93 - 7 - HB3 LEU 126 - QD2 LEU 55 poor 5 41 - 13 - 3401=1 HG LEU 27 - QD2 LEU 55 poor 5 30 - 18 - 8619=2, 3.0/8482=2...(4) HB2 LEU 126 - QD2 LEU 55 poor 5 39 - 13 - 3401=1 HB3 LYS 32 - QD1 LEU 59 lone 5 92 - 5 - HD2 LYS 32 - QD1 LEU 59 lone 5 93 - 5 - HD3 LYS 32 - QD1 LEU 59 lone 5 93 - 5 - HB3 GLN 42 - QD1 LEU 59 lone 4 96 - 4 - HG2 PRO 30 - QD2 LEU 55 lone 3 54 - 6 - 2.3/7083=1 HG12 ILE 63 - QD1 LEU 59 lone 3 78 - 4 - HG LEU 101 - QD2 LEU 55 lone 3 58 - 5 - 2.1/7713=1 HD3 LYS 119 - QD2 LEU 55 lone 3 32 - 9 - HD2 LYS 119 - QD2 LEU 55 lone 3 30 - 9 - HG LEU 126 - QD2 LEU 55 lone 2 29 - 9 - HG3 ARG 85 - QD2 LEU 55 lone 2 41 - 6 - 5.0/7508=4 HG LEU 51 - QD2 LEU 55 lone 2 54 - 4 - 2.1/6929=2 HB ILE 34 - QD1 LEU 59 lone 2 76 - 3 - HB3 GLN 42 - QD2 LEU 55 lone 2 53 - 3 - HB3 LYS 32 - QD2 LEU 55 lone 2 49 - 3 - HD2 LYS 32 - QD2 LEU 55 lone 1 50 - 2 - HD3 LYS 32 - QD2 LEU 55 lone 1 50 - 2 - HB ILE 34 - QD2 LEU 55 lone 1 38 - 2 - Peak 3420 from cnoeabs.peaks (1.35, 0.84, 25.70 ppm; 3.19 A): 1 out of 18 assignments used, quality = 1.00: * HB3 LEU 59 + QD1 LEU 59 OK 100 100 - 100 - 3.2=100 HG2 LYS 31 - QD1 LEU 59 OK 21 76 - 27 - 3413/2.1=4, 3427/2.1=3...(9) HG3 LYS 119 - QD1 LEU 59 OK 16 68 - 24 - 3413/2.1=3, 3427/2.1=2...(8) HB3 LEU 59 - QD2 LEU 55 OK 16 59 - 27 - 3408=5, 3.0/3415=3...(9) HG3 LYS 46 - QD1 LEU 59 OK 12 89 - 13 - 3413/2.1=2, 3427/2.1=2...(6) HG2 LYS 46 - QD1 LEU 59 OK 12 89 - 13 - 3413/2.1=2, 3427/2.1=2...(6) HG2 LYS 31 - QD2 LEU 55 poor 10 38 - 26 - 2427/3.1=3, 2428/2.1=3...(10) QG2 THR 121 - QD1 LEU 59 poor 7 60 - 12 - 8071/4.6=2, 3413/2.1=1...(4) QG2 THR 17 - QD1 LEU 59 lone 5 89 - 5 - QB ALA 43 - QD1 LEU 59 lone 4 96 - 4 - QB ALA 43 - QD2 LEU 55 lone 4 53 - 7 - HG2 LYS 46 - QD2 LEU 55 lone 4 47 - 7 - HG3 LYS 46 - QD2 LEU 55 lone 4 47 - 7 - QG2 THR 17 - QD2 LEU 55 lone 3 47 - 7 - HG3 LYS 119 - QD2 LEU 55 lone 3 33 - 8 - QG2 THR 23 - QD2 LEU 55 lone 2 29 - 6 - 4.0/77=2 QG2 THR 121 - QD2 LEU 55 lone 2 29 - 5 - QG2 THR 23 - QD1 LEU 59 lone 2 60 - 3 - 4.0/77=1 Peak 3421 from cnoeabs.peaks (1.40, 0.84, 25.70 ppm; 3.03 A): 1 out of 20 assignments used, quality = 1.00: * HG LEU 59 + QD1 LEU 59 OK 100 100 - 100 - 2.1=100 HB2 LEU 27 - QD1 LEU 59 OK 26 100 - 26 - 3428/2.1=3, 3.0/8619=3...(10) HB2 LEU 51 - QD1 LEU 59 OK 17 87 - 19 - 3.1/6929=3, 3428/2.1=2...(7) HG LEU 59 - QD2 LEU 55 OK 16 59 - 27 - 3415=6, 2.1/3429=2...(11) HB3 LEU 93 - QD1 LEU 59 OK 16 85 - 18 - 3428/2.1=2, 3407/3.2=2...(7) HB2 LEU 27 - QD2 LEU 55 poor 10 58 - 17 - 3.0/8619=2, 8482=2...(6) QG2 THR 121 - QD1 LEU 59 poor 9 71 - 12 - 8071/4.6=2, 3407/3.2=1, ~8081=1 HB2 LEU 111 - QD1 LEU 59 lone 7 96 - 7 - HB VAL 110 - QD1 LEU 59 lone 7 99 - 7 - 2.1/7874=1 HB3 LEU 91 - QD1 LEU 59 lone 6 65 - 10 - QB ALA 122 - QD1 LEU 59 lone 6 97 - 6 - 8094/4.6=1 HB3 LEU 93 - QD2 LEU 55 poor 6 44 - 14 - 3.8/1236=2, 3.0/4476=2...(6) HB2 LEU 111 - QD2 LEU 55 lone 4 53 - 7 - 7011/4.0=1 QG2 THR 121 - QD2 LEU 55 lone 2 35 - 7 - QB ALA 98 - QD1 LEU 59 lone 2 81 - 2 - HB3 LEU 91 - QD2 LEU 55 lone 2 32 - 6 - HB VAL 110 - QD2 LEU 55 lone 2 56 - 3 - 2.1/7874=1 HB2 LEU 51 - QD2 LEU 55 lone 1 45 - 3 - QB ALA 122 - QD2 LEU 55 lone 1 54 - 2 - QB ALA 98 - QD2 LEU 55 lone 1 41 - 2 - Peak 3422 from cnoeabs.peaks (0.84, 0.84, 25.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 59 + QD1 LEU 59 OK 100 100 - 100 QD2 LEU 55 + QD2 LEU 55 OK 57 57 - 100 Peak 3423 from cnoeabs.peaks (0.88, 0.84, 25.70 ppm; 2.40 A): 1 out of 16 assignments used, quality = 1.00: * QD2 LEU 59 + QD1 LEU 59 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 - QD1 LEU 59 OK 16 97 - 17 - 3416/2.1=2, 3409/3.2=2...(4) QD1 LEU 117 - QD1 LEU 59 OK 14 65 - 21 - 3429=3, 2.1/8554=2...(10) QD1 LEU 126 - QD1 LEU 59 OK 10 68 - 15 - 5416/2.1=2, 3416/2.1=1...(4) HG13 ILE 80 - QD1 LEU 59 lone 9 95 - 10 - 3416/2.1=1 QD2 LEU 59 - QD2 LEU 55 poor 9 59 - 16 - 3429=3, 2.1/3415=2...(5) QD1 ILE 124 - QD1 LEU 59 lone 7 100 - 7 - 3416/2.1=1, 3409/3.2=1 QG1 VAL 49 - QD2 LEU 55 lone 5 59 - 9 - 3041/2.1=2, 8492/3.1=1 QD2 LEU 41 - QD1 LEU 59 lone 5 99 - 5 - QG1 VAL 49 - QD1 LEU 59 lone 4 100 - 4 - QD1 LEU 117 - QD2 LEU 55 poor 3 32 - 11 - 2.1/8554=2, 3429=1, 3.1/8007=1 QD2 LEU 41 - QD2 LEU 55 lone 3 57 - 5 - QD1 ILE 124 - QD2 LEU 55 lone 2 58 - 4 - QD2 LEU 126 - QD2 LEU 55 lone 2 54 - 3 - HG13 ILE 80 - QD2 LEU 55 lone 1 51 - 2 - QD1 LEU 126 - QD2 LEU 55 lone 1 33 - 3 - Peak 3424 from cnoeabs.peaks (8.67, 0.88, 23.90 ppm; 4.05 A): 2 out of 8 assignments used, quality = 0.96: * H LEU 59 + QD2 LEU 59 OK 92 100 - 92 - 4.6=70, 3.0/3425=30...(11) H LEU 117 + QD1 LEU 117 OK 56 64 - 88 - 4.6=68, 1371/3.1=15...(10) H LEU 117 - QD2 LEU 59 OK 42 99 - 42 - 3417/2.1=8, 3410/2.1=7...(14) H LEU 59 - QD1 LEU 117 OK 30 65 - 46 - 5165/2.1=7, 1058=6...(14) H VAL 120 - QD2 LEU 59 OK 27 90 - 30 - 3410/2.1=6, 3403/3.2=5...(7) H VAL 120 - QD1 LEU 117 OK 24 53 - 45 - 1395/2.1=11, 1795/3.8=11...(9) H ASN 12 - QD2 LEU 59 lone 10 100 - 9 - 3403/3.2=2, 3410/2.1=2...(5) H ASN 12 - QD1 LEU 117 lone 5 65 - 8 - 5165/2.1=1, 5144/3.1=1...(4) Peak 3425 from cnoeabs.peaks (4.67, 0.88, 23.90 ppm; 3.17 A): 2 out of 4 assignments used, quality = 0.80: * HA LEU 59 + QD2 LEU 59 OK 76 100 - 76 - 4.0=51, 3.0/3427=13...(12) HA LEU 59 + QD1 LEU 117 OK 15 65 - 23 - 3395=3, 3.0/1058=2...(13) HA ASN 106 - QD2 LEU 59 lone 6 73 - 8 - 3404/3.2=2, 3411/2.1=2...(5) HA ASN 106 - QD1 LEU 117 lone 1 41 - 2 - Peak 3426 from cnoeabs.peaks (1.62, 0.88, 23.90 ppm; 3.39 A): 1 out of 40 assignments used, quality = 1.00: * HB2 LEU 59 + QD2 LEU 59 OK 100 100 - 100 - 3.2=100 HB3 LEU 126 - QD2 LEU 59 OK 32 81 - 40 - 3400/2.1=3, 3.1/5416=3...(21) HB2 LEU 126 - QD2 LEU 59 OK 31 78 - 40 - 3400/2.1=3, 3.1/5416=3...(21) HD3 LYS 31 - QD2 LEU 59 OK 31 100 - 31 - 3.0/3427=3, 3412/2.1=3...(15) HD2 LYS 31 - QD2 LEU 59 OK 31 100 - 31 - 3.0/3427=3, 3412/2.1=3...(15) HG LEU 126 - QD2 LEU 59 OK 21 60 - 35 - 2.1/5416=4, 5409=3...(16) HG LEU 51 - QD2 LEU 59 OK 20 97 - 21 - ~6929=3, 3.7/8644=2...(9) HB2 LEU 59 - QD1 LEU 117 OK 20 65 - 31 - 3.0/3425=4, 1.8/3427=4...(14) HG LEU 27 - QD2 LEU 59 OK 15 63 - 25 - 3.0/3428=3, 8619/2.1=3...(12) HG2 PRO 30 - QD1 LEU 117 OK 15 59 - 25 - 2.3/7086=5, ~8035=2...(12) HG2 PRO 30 - QD2 LEU 59 OK 12 97 - 12 - 2.3/7086=3, ~7083=2, ~7084=1 HD3 LYS 119 - QD2 LEU 59 OK 11 65 - 17 - 3.0/3427=2, ~3413=1...(4) HD2 LYS 119 - QD2 LEU 59 OK 11 63 - 17 - 3.0/3427=2, ~3413=1...(4) HB3 GLN 42 - QD1 LEU 117 poor 7 58 - 11 - ~2831=1 HG LEU 27 - QD1 LEU 117 poor 7 34 - 19 - ~6526=5, ~5170=2...(9) HG2 ARG 53 - QD2 LEU 59 lone 6 93 - 7 - 3.0/6968=1 HG3 ARG 85 - QD2 LEU 59 lone 6 81 - 7 - 3.0/8645=2 HG LEU 101 - QD2 LEU 59 lone 5 100 - 5 - HB3 GLN 42 - QD2 LEU 59 lone 4 96 - 4 - HB3 LYS 32 - QD2 LEU 59 lone 4 92 - 4 - HD2 LYS 32 - QD2 LEU 59 lone 3 93 - 4 - HD3 LYS 32 - QD2 LEU 59 lone 3 93 - 4 - HG LEU 51 - QD1 LEU 117 lone 3 60 - 5 - ~6931=2 HG2 ARG 53 - QD1 LEU 117 lone 3 56 - 6 - ~6970=1 HB3 LEU 126 - QD1 LEU 117 lone 3 46 - 6 - HB2 LEU 126 - QD1 LEU 117 lone 3 44 - 6 - HB3 LYS 32 - QD1 LEU 117 lone 3 55 - 5 - HD3 LYS 32 - QD1 LEU 117 lone 2 56 - 4 - HD2 LYS 32 - QD1 LEU 117 lone 2 56 - 4 - HB ILE 34 - QD1 LEU 117 lone 2 42 - 5 - HG LEU 126 - QD1 LEU 117 lone 2 32 - 6 - HG12 ILE 63 - QD2 LEU 59 lone 2 78 - 2 - HG LEU 101 - QD1 LEU 117 lone 2 64 - 3 - HB ILE 34 - QD2 LEU 59 lone 2 76 - 2 - HD3 LYS 119 - QD1 LEU 117 lone 2 35 - 4 - 6.0/8029=2 HD2 LYS 119 - QD1 LEU 117 lone 1 34 - 4 - 6.0/8029=2 HD2 LYS 31 - QD1 LEU 117 lone 1 65 - 2 - HD3 LYS 31 - QD1 LEU 117 lone 1 65 - 2 - HG12 ILE 63 - QD1 LEU 117 lone 1 44 - 2 - HG3 ARG 85 - QD1 LEU 117 lone 1 46 - 1 - Peak 3427 from cnoeabs.peaks (1.35, 0.88, 23.90 ppm; 2.90 A): 4 out of 18 assignments used, quality = 0.91: * HB3 LEU 59 + QD2 LEU 59 OK 85 100 - 85 - 3.2=77, 3.0/3425=16...(7) HG2 LYS 31 + QD2 LEU 59 OK 17 76 - 22 - 3413/2.1=3, 3420/2.1=2...(8) HB3 LEU 59 + QD1 LEU 117 OK 15 65 - 23 - 3.0/3425=3, 3409=2...(10) HG3 LYS 119 + QD2 LEU 59 OK 12 68 - 18 - 3413/2.1=2, 3420/2.1=2...(7) HG2 LYS 46 - QD2 LEU 59 lone 9 89 - 10 - 3413/2.1=2, 3420/2.1=1 HG3 LYS 46 - QD2 LEU 59 lone 9 89 - 10 - 3413/2.1=2, 3420/2.1=1 QG2 THR 121 - QD1 LEU 117 poor 6 32 - 19 - 8087/2.1=5, 8089/2.1=3...(8) QG2 THR 121 - QD2 LEU 59 lone 5 60 - 9 - 8071/4.6=1, 3413/2.1=1, ~8081=1 QG2 THR 17 - QD2 LEU 59 lone 3 89 - 3 - QB ALA 43 - QD2 LEU 59 lone 3 96 - 3 - HG3 LYS 119 - QD1 LEU 117 lone 2 37 - 6 - 4.9/8029=1, ~8032=1 QG2 THR 17 - QD1 LEU 117 lone 2 52 - 3 - QB ALA 43 - QD1 LEU 117 lone 1 58 - 2 - HG2 LYS 46 - QD1 LEU 117 lone 1 52 - 3 - HG3 LYS 46 - QD1 LEU 117 lone 1 52 - 3 - QG2 THR 23 - QD2 LEU 59 lone 1 60 - 1 - HG2 LYS 31 - QD1 LEU 117 lone 1 42 - 1 - QG2 THR 23 - QD1 LEU 117 lone 0 32 - 1 - Peak 3428 from cnoeabs.peaks (1.40, 0.88, 23.90 ppm; 2.77 A): 1 out of 20 assignments used, quality = 1.00: * HG LEU 59 + QD2 LEU 59 OK 100 100 - 100 - 2.1=100 HB2 LEU 27 - QD2 LEU 59 OK 19 100 - 19 - 3421/2.1=3, 3407/3.2=2...(8) HG LEU 59 - QD1 LEU 117 OK 15 65 - 23 - 3416=3, 2.1/3423=2...(11) HB2 LEU 51 - QD2 LEU 59 OK 13 87 - 15 - 3421/2.1=2, 3407/3.2=2...(5) HB3 LEU 93 - QD2 LEU 59 OK 11 85 - 13 - 3421/2.1=2, 3407/3.2=1 QG2 THR 121 - QD1 LEU 117 poor 8 39 - 20 - 8087/2.1=5, 8084=3...(8) HB2 LEU 27 - QD1 LEU 117 poor 7 64 - 12 - ~6526=2, ~8011=2, 8014/2.1=1 HB3 LEU 93 - QD1 LEU 117 poor 7 49 - 13 - ~8378=2, 8014/2.1=2...(4) QG2 THR 121 - QD2 LEU 59 lone 6 71 - 9 - 8071/4.6=1, 3407/3.2=1 HB3 LEU 91 - QD1 LEU 117 poor 6 35 - 16 - ~8369=2, ~8363=2...(6) HB2 LEU 111 - QD2 LEU 59 lone 5 96 - 5 - HB VAL 110 - QD2 LEU 59 lone 5 99 - 5 - QB ALA 122 - QD2 LEU 59 lone 5 97 - 5 - HB3 LEU 91 - QD2 LEU 59 lone 4 65 - 7 - HB2 LEU 111 - QD1 LEU 117 lone 4 58 - 7 - QB ALA 122 - QD1 LEU 117 lone 2 59 - 4 - ~8097=1 HB2 LEU 51 - QD1 LEU 117 lone 2 50 - 4 - ~6931=1, ~6054=1 HB VAL 110 - QD1 LEU 117 lone 2 62 - 3 - 6195/3.8=1 QB ALA 98 - QD2 LEU 59 lone 2 81 - 2 - QB ALA 98 - QD1 LEU 117 lone 0 46 - 1 - Peak 3429 from cnoeabs.peaks (0.84, 0.88, 23.90 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * QD1 LEU 59 + QD2 LEU 59 OK 100 100 - 100 - 2.1=100 QD2 LEU 55 - QD2 LEU 59 OK 14 99 - 14 - 3423=2, 3415/2.1=2...(4) QD1 LEU 59 - QD1 LEU 117 OK 14 65 - 21 - 3423=4, 8554/2.1=2...(10) QD2 LEU 114 - QD1 LEU 117 OK 12 60 - 20 - 7960/2.1=8, 7958/3.1=3...(5) HG13 ILE 22 - QD2 LEU 59 OK 10 100 - 10 - 3415/2.1=2, 3408/3.2=1 QD1 LEU 93 - QD1 LEU 117 poor 9 57 - 17 - 8378/2.1=5, 7607/3.8=4...(4) QD1 LEU 93 - QD2 LEU 59 lone 8 95 - 9 - 3415/2.1=2, 3408/3.2=1 QD2 LEU 114 - QD2 LEU 59 lone 8 97 - 8 - 7959/3.2=1, 7955/4.6=1 HG13 ILE 80 - QD2 LEU 59 poor 7 65 - 10 - 2.1/4102=1 HB2 ASN 118 - QD2 LEU 59 lone 6 83 - 8 - 3.0/8644=1 QD2 LEU 55 - QD1 LEU 117 lone 6 64 - 10 - 8554/2.1=2 QD2 LEU 91 - QD1 LEU 117 poor 5 37 - 14 - 8369/2.1=3, ~8372=2, 7590/4.6=1 HB2 ASN 118 - QD1 LEU 117 lone 5 47 - 10 - 8554/2.1=2, 3.0/8644=1...(6) QG1 VAL 115 - QD1 LEU 117 lone 4 58 - 6 - 8554/2.1=1 QG1 VAL 115 - QD2 LEU 59 lone 4 96 - 4 - QD2 LEU 91 - QD2 LEU 59 lone 4 68 - 5 - HG13 ILE 22 - QD1 LEU 117 lone 2 64 - 4 - HG13 ILE 80 - QD1 LEU 117 lone 0 35 - 1 - Peak 3430 from cnoeabs.peaks (0.88, 0.88, 23.90 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 59 + QD2 LEU 59 OK 100 100 - 100 QD1 LEU 117 - QD1 LEU 117 OK 35 35 - 100 Peak 3431 from cnoeabs.peaks (4.47, 3.55, 49.63 ppm; 5.04 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 60 + HD2 PRO 60 OK 100 100 - 100 - 3.6=100 HA PRO 70 + HD2 PRO 60 OK 52 90 - 58 - 3438/1.8=10, 3459/3.0=9...(14) HA ARG 71 - HD2 PRO 60 OK 41 90 - 45 - 3438/1.8=8, 3466/2.3=6...(14) HA SER 90 - HD2 PRO 60 lone 9 100 - 9 - 3438/1.8=2, 3459/3.0=2...(5) HA SER 113 - HD2 PRO 60 lone 5 63 - 8 - HA LEU 101 - HD2 PRO 60 lone 4 73 - 6 - Peak 3432 from cnoeabs.peaks (1.80, 3.55, 49.63 ppm; 4.06 A): 4 out of 12 assignments used, quality = 1.00: * HB2 PRO 60 + HD2 PRO 60 OK 100 100 - 100 - 3.0=100 HB2 PRO 37 + HD2 PRO 60 OK 71 89 - 80 - 2.3/3478=10, 3457=10...(39) HB3 GLU 56 + HD2 PRO 60 OK 67 97 - 70 - 3278/3.0=8, 1.8/3435=8...(30) HB3 ARG 57 + HD2 PRO 60 OK 66 98 - 67 - 3313/1.8=8, 3.5/3437=6...(34) HG13 ILE 63 - HD2 PRO 60 OK 26 89 - 29 - ~8309=3, 3439/1.8=3...(15) HG LEU 41 - HD2 PRO 60 OK 16 60 - 26 - 2.1/7091=6, ~7089=4...(9) HG3 ARG 53 - HD2 PRO 60 OK 16 73 - 21 - 3156/2.3=2, 3439/1.8=1...(8) HG2 GLU 75 - HD2 PRO 60 OK 13 97 - 13 - 3439/1.8=1, ~3976=1 HB2 GLU 75 - HD2 PRO 60 poor 8 63 - 13 - ~3964=1, 3958/3.0=1 HB3 ARG 92 - HD2 PRO 60 lone 5 100 - 5 - HB3 GLN 105 - HD2 PRO 60 lone 4 92 - 4 - HB2 LYS 32 - HD2 PRO 60 lone 3 89 - 4 - Peak 3433 from cnoeabs.peaks (2.32, 3.55, 49.63 ppm; 4.31 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 60 + HD2 PRO 60 OK 100 100 - 100 - 3.0=100 HG3 GLU 56 + HD2 PRO 60 OK 70 100 - 70 - 3440/1.8=9, 3287/2.3=8...(27) HB2 LEU 54 + HD2 PRO 60 OK 59 97 - 61 - 6053=11, 1.8/6055=9...(20) HG2 PRO 70 - HD2 PRO 60 OK 33 60 - 55 - 1.8/3435=6, 3.8/3431=5...(24) HB VAL 120 - HD2 PRO 60 OK 24 78 - 30 - 4.4/1800=6, 3.8/7093=5...(15) HB3 GLU 82 - HD2 PRO 60 OK 11 83 - 12 - 3440/1.8=1, 3475/2.3=1 HB2 GLU 82 - HD2 PRO 60 OK 11 83 - 12 - 3440/1.8=1, 3475/2.3=1 HG2 GLN 16 - HD2 PRO 60 lone 6 92 - 6 - Peak 3434 from cnoeabs.peaks (1.99, 3.55, 49.63 ppm; 3.69 A): 1 out of 14 assignments used, quality = 1.00: * HG2 PRO 60 + HD2 PRO 60 OK 100 100 - 100 - 2.3=100 HB3 PRO 68 - HD2 PRO 60 OK 42 97 - 43 - 2.3/3471=6, 3441/1.8=5...(21) HG2 PRO 68 - HD2 PRO 60 OK 37 95 - 40 - 3471=9, 3472/1.8=6...(17) HB2 LEU 41 - HD2 PRO 60 OK 23 97 - 23 - 3.1/7091=4, 3441/1.8=3...(7) HB2 ARG 71 - HD2 PRO 60 OK 19 85 - 22 - 3.0/3431=3, ~3438=2...(13) HB2 LEU 55 - HD2 PRO 60 OK 17 99 - 18 - 4.0/1631=4, 3441/1.8=2...(6) HB ILE 124 - HD2 PRO 60 OK 17 97 - 17 - 3.2/7091=3, 3441/1.8=2...(6) HB3 ARG 53 - HD2 PRO 60 OK 11 57 - 20 - 4.4/1625=4, ~3132=2...(9) HB2 LYS 46 - HD2 PRO 60 lone 8 100 - 8 - 4.4/983=2, 8596/4.8=1 HG LEU 114 - HD2 PRO 60 lone 6 95 - 7 - ~7089=1 HB2 MET 11 - HD2 PRO 60 lone 6 99 - 6 - HG LEU 45 - HD2 PRO 60 lone 5 81 - 6 - 2.1/6847=1 HB2 GLU 94 - HD2 PRO 60 lone 3 100 - 3 - HB3 GLN 103 - HD2 PRO 60 lone 3 97 - 3 - Peak 3435 from cnoeabs.peaks (2.05, 3.55, 49.63 ppm; 3.34 A): 3 out of 10 assignments used, quality = 1.00: * HG3 PRO 60 + HD2 PRO 60 OK 100 100 - 100 - 2.3=100 HG3 PRO 37 + HD2 PRO 60 OK 63 100 - 64 - 3478=11, 3479/1.8=7...(35) HB2 GLU 56 + HD2 PRO 60 OK 56 99 - 56 - 3442/1.8=6, 3470/2.3=5...(29) HG3 PRO 70 - HD2 PRO 60 OK 41 100 - 41 - 3442/1.8=4, 3463/3.0=3...(22) HB2 ARG 57 - HD2 PRO 60 OK 35 68 - 52 - 3.5/3437=5, 1.8/3432=4...(29) HB ILE 63 - HD2 PRO 60 OK 18 87 - 21 - 3442/1.8=2, 3463/3.0=2...(7) HB3 ARG 53 - HD2 PRO 60 OK 12 71 - 17 - 4.4/1625=3, ~3132=1...(4) HB3 GLU 38 - HD2 PRO 60 lone 8 93 - 8 - ~6005=1 HB3 ARG 81 - HD2 PRO 60 lone 5 99 - 5 - HG2 GLU 64 - HD2 PRO 60 lone 1 68 - 1 - Peak 3436 from cnoeabs.peaks (3.55, 3.55, 49.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 60 + HD2 PRO 60 OK 100 100 - 100 Peak 3437 from cnoeabs.peaks (3.34, 3.55, 49.63 ppm; 2.80 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 60 + HD2 PRO 60 OK 100 100 - 100 - 1.8=100 HD2 ARG 57 - HD2 PRO 60 OK 27 76 - 36 - 3472/2.3=4, ~3345=3...(14) HB3 PHE 40 - HD2 PRO 60 OK 14 96 - 15 - 3472/2.3=2, ~4567=2...(8) HD3 ARG 85 - HD2 PRO 60 OK 12 100 - 12 - 3472/2.3=1, 3479/2.3=1...(7) Peak 3438 from cnoeabs.peaks (4.47, 3.34, 49.63 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 60 + HD3 PRO 60 OK 100 100 - 100 - 3.6=100 HA PRO 70 + HD3 PRO 60 OK 49 90 - 55 - 3431/1.8=9, 3459/3.0=9...(14) HA ARG 71 - HD3 PRO 60 OK 38 90 - 43 - 3431/1.8=7, 3459/3.0=6...(14) HA SER 90 - HD3 PRO 60 lone 8 100 - 8 - 3431/1.8=2, 3459/3.0=2...(5) HA SER 113 - HD3 PRO 60 lone 5 63 - 7 - HA LEU 101 - HD3 PRO 60 lone 4 73 - 5 - Peak 3439 from cnoeabs.peaks (1.80, 3.34, 49.63 ppm; 4.10 A): 4 out of 12 assignments used, quality = 1.00: * HB2 PRO 60 + HD3 PRO 60 OK 100 100 - 100 - 3.0=100 HB2 PRO 37 + HD3 PRO 60 OK 72 89 - 81 - 2.3/6000=14, 2.3/3479=9...(40) HB3 GLU 56 + HD3 PRO 60 OK 70 97 - 73 - 3278/3.0=8, 1.8/3442=8...(32) HB3 ARG 57 + HD3 PRO 60 OK 70 98 - 71 - 3313=8, 3.0/3297=7...(36) HG13 ILE 63 - HD3 PRO 60 OK 28 89 - 31 - ~8309=3, 3432/1.8=3...(15) HG LEU 41 - HD3 PRO 60 OK 18 60 - 29 - 2.1/7089=5, ~7091=4...(10) HG3 ARG 53 - HD3 PRO 60 OK 16 73 - 22 - 3156/2.3=2, 3432/1.8=2...(8) HG2 GLU 75 - HD3 PRO 60 OK 13 97 - 14 - 3432/1.8=1, ~3976=1 HB2 GLU 75 - HD3 PRO 60 poor 9 63 - 14 - ~3964=1, 3958/3.0=1 HB3 ARG 92 - HD3 PRO 60 lone 5 100 - 5 - HB2 LYS 32 - HD3 PRO 60 lone 4 89 - 4 - HB3 GLN 105 - HD3 PRO 60 lone 3 92 - 4 - Peak 3440 from cnoeabs.peaks (2.32, 3.34, 49.63 ppm; 4.32 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 60 + HD3 PRO 60 OK 100 100 - 100 - 3.0=100 HG3 GLU 56 + HD3 PRO 60 OK 69 100 - 69 - 3433/1.8=9, 3287/2.3=8...(26) HB2 LEU 54 + HD3 PRO 60 OK 49 97 - 51 - 6053/1.8=9, ~6055=7...(17) HG2 PRO 70 - HD3 PRO 60 OK 33 60 - 55 - 1.8/3442=6, 3.8/3438=6...(24) HB VAL 120 - HD3 PRO 60 OK 20 78 - 25 - 3465=3, 3.8/7092=3...(14) HB3 GLU 82 - HD3 PRO 60 OK 10 83 - 12 - 3433/1.8=1, 3475/2.3=1 HB2 GLU 82 - HD3 PRO 60 OK 10 83 - 12 - 3433/1.8=1, 3475/2.3=1 HG2 GLN 16 - HD3 PRO 60 lone 6 92 - 6 - Peak 3441 from cnoeabs.peaks (1.99, 3.34, 49.63 ppm; 3.69 A): 1 out of 14 assignments used, quality = 1.00: * HG2 PRO 60 + HD3 PRO 60 OK 100 100 - 100 - 2.3=100 HB3 PRO 68 - HD3 PRO 60 OK 41 97 - 43 - 2.3/3472=5, 3434/1.8=5...(21) HG2 PRO 68 - HD3 PRO 60 OK 37 95 - 40 - 3472=8, 3471/1.8=6...(17) HB2 LEU 41 - HD3 PRO 60 OK 25 97 - 26 - 3.1/7089=4, 4.1/164=4...(9) HB2 ARG 71 - HD3 PRO 60 OK 19 85 - 22 - 3.0/3438=4, ~3431=2...(13) HB ILE 124 - HD3 PRO 60 OK 17 97 - 17 - 3.2/7089=2, 3434/1.8=2...(6) HB2 LEU 55 - HD3 PRO 60 OK 15 99 - 15 - 3434/1.8=2, 3462/3.0=2...(5) HB3 ARG 53 - HD3 PRO 60 poor 10 57 - 17 - ~3132=2, 3434/1.8=1...(7) HG LEU 114 - HD3 PRO 60 lone 7 95 - 7 - 2.1/7089=2 HB2 LYS 46 - HD3 PRO 60 lone 6 100 - 6 - 8596/4.8=1 HB2 MET 11 - HD3 PRO 60 lone 6 99 - 6 - 4.2/7092=1 HG LEU 45 - HD3 PRO 60 lone 4 81 - 5 - HB2 GLU 94 - HD3 PRO 60 lone 3 100 - 3 - HB3 GLN 103 - HD3 PRO 60 lone 3 97 - 3 - Peak 3442 from cnoeabs.peaks (2.05, 3.34, 49.63 ppm; 3.31 A): 3 out of 10 assignments used, quality = 1.00: * HG3 PRO 60 + HD3 PRO 60 OK 100 100 - 100 - 2.3=100 HG3 PRO 37 + HD3 PRO 60 OK 65 100 - 65 - 3479=9, 3478/1.8=8...(36) HB2 GLU 56 + HD3 PRO 60 OK 55 99 - 56 - 3435/1.8=6, 3470/2.3=5...(29) HG3 PRO 70 - HD3 PRO 60 OK 40 100 - 40 - 3435/1.8=4, 3463/3.0=3...(22) HB2 ARG 57 - HD3 PRO 60 OK 36 68 - 53 - 3.0/3297=5, 3.0/3329=5...(31) HB ILE 63 - HD3 PRO 60 OK 18 87 - 21 - 3435/1.8=2, 3463/3.0=2...(7) HB3 ARG 53 - HD3 PRO 60 OK 10 71 - 14 - ~3132=1, 3435/1.8=1, ~6066=1 HB3 GLU 38 - HD3 PRO 60 lone 8 93 - 9 - ~6005=1 HB3 ARG 81 - HD3 PRO 60 lone 6 99 - 6 - HG2 GLU 64 - HD3 PRO 60 lone 1 68 - 1 - Peak 3443 from cnoeabs.peaks (3.55, 3.34, 49.63 ppm; 2.83 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 60 + HD3 PRO 60 OK 100 100 - 100 - 1.8=100 HA ASN 118 - HD3 PRO 60 OK 15 100 - 15 - 7072/4.8=2, 3471/2.3=2...(9) HB2 ASP 47 - HD3 PRO 60 OK 14 98 - 15 - 6872/2.3=4, 6871/3.0=3...(6) HA LEU 51 - HD3 PRO 60 OK 13 97 - 14 - 6052/3.0=2, 3471/2.3=2...(7) Peak 3444 from cnoeabs.peaks (3.34, 3.34, 49.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 60 + HD3 PRO 60 OK 100 100 - 100 Peak 3445 from cnoeabs.peaks (4.47, 4.47, 63.39 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA PRO 60 + HA PRO 60 OK 100 100 - 100 HA PRO 70 - HA PRO 70 OK 37 37 - 100 Peak 3446 from cnoeabs.peaks (1.80, 4.47, 63.39 ppm; 4.35 A): 4 out of 24 assignments used, quality = 1.00: * HB2 PRO 60 + HA PRO 60 OK 100 100 - 100 - 2.3=100 HB3 GLU 56 + HA PRO 60 OK 70 97 - 72 - 3.0/7024=21, 3278/2.3=10...(22) HB2 PRO 37 + HA PRO 60 OK 56 89 - 64 - 3460/2.3=7, 2.3/3473=7...(25) HB3 ARG 57 + HA PRO 60 OK 47 98 - 48 - 3313/3.6=7, 3460/2.3=6...(19) HB2 PRO 60 - HA PRO 70 OK 29 46 - 64 - 1.8/3459=9, 3452=9...(22) HG13 ILE 63 - HA PRO 60 OK 26 89 - 29 - 279/3.5=3, ~7148=3...(16) HG2 GLU 75 - HA PRO 70 OK 17 43 - 41 - 8415/3.5=10, 3.0/7318=7...(9) HB3 GLU 56 - HA PRO 70 OK 16 42 - 39 - 3.0/7024=9, 3277/2.3=5...(13) HG2 GLU 75 - HA PRO 60 OK 14 97 - 14 - 3.0/7318=2, ~3976=1...(5) HG3 ARG 53 - HA PRO 60 OK 13 73 - 18 - 3156/3.8=1, ~3134=1...(7) HB2 GLU 75 - HA PRO 70 OK 12 23 - 52 - 8335/3.5=15, 1.8/7318=8...(12) HB2 PRO 37 - HA PRO 70 OK 11 36 - 31 - 8255/3.8=5, ~3821=4...(14) HB2 GLU 75 - HA PRO 60 poor 9 63 - 15 - 1.8/7318=2, ~3964=2, 3958/2.3=1 HG LEU 41 - HA PRO 60 poor 8 60 - 14 - ~2809=1, 3.0/3448=1...(9) HB3 GLN 105 - HA PRO 70 poor 7 38 - 19 - ~8320=5, ~8319=3...(8) HB3 ARG 92 - HA PRO 60 lone 6 100 - 6 - HB2 LYS 32 - HA PRO 60 lone 4 89 - 4 - HG13 ILE 63 - HA PRO 70 poor 4 36 - 10 - ~7258=2, ~7140=1...(5) HB3 GLN 105 - HA PRO 60 lone 4 92 - 4 - HB3 ARG 57 - HA PRO 70 lone 3 43 - 8 - 8415/3.5=1 HG3 ARG 53 - HA PRO 70 lone 3 28 - 10 - 8415/3.5=2 HG LEU 41 - HA PRO 70 lone 2 22 - 8 - ~7254=4, ~7258=2 HB3 ARG 92 - HA PRO 70 lone 1 46 - 3 - HB2 LYS 32 - HA PRO 70 lone 1 36 - 2 - Peak 3447 from cnoeabs.peaks (2.32, 4.47, 63.39 ppm; 4.08 A): 2 out of 16 assignments used, quality = 1.00: * HB3 PRO 60 + HA PRO 60 OK 100 100 - 100 - 2.3=100 HG3 GLU 56 + HA PRO 60 OK 63 100 - 64 - 4.0/7024=15, 3288/2.3=8...(20) HB2 LEU 54 - HA PRO 60 OK 36 97 - 38 - 6053/3.6=6, ~3193=5...(14) HG2 PRO 70 - HA PRO 60 OK 28 60 - 47 - 2.3/3810=6, 2.3/3817=6...(21) HB3 PRO 60 - HA PRO 70 OK 26 46 - 57 - 3459=10, 1.8/3452=8...(20) HG2 PRO 70 - HA PRO 70 OK 22 22 - 100 - 3.8=100 HB VAL 120 - HA PRO 60 OK 16 78 - 21 - 3459=2, ~5292=2, ~5297=2...(12) HG3 GLU 56 - HA PRO 70 OK 14 46 - 31 - 4.0/7024=7, 3289/2.3=5...(10) HB2 GLU 82 - HA PRO 60 poor 9 83 - 11 - HB3 GLU 82 - HA PRO 60 poor 9 83 - 11 - HB3 GLU 82 - HA PRO 70 poor 9 33 - 27 - ~3813=4, ~3820=4...(11) HB2 GLU 82 - HA PRO 70 poor 9 33 - 27 - ~3813=4, ~3820=4...(11) HG2 GLN 16 - HA PRO 60 lone 6 92 - 6 - HB2 LEU 54 - HA PRO 70 lone 2 42 - 5 - HG2 GLN 16 - HA PRO 70 lone 1 38 - 3 - HB VAL 120 - HA PRO 70 lone 1 30 - 2 - Peak 3448 from cnoeabs.peaks (1.99, 4.47, 63.39 ppm; 4.94 A): 1 out of 28 assignments used, quality = 1.00: * HG2 PRO 60 + HA PRO 60 OK 100 100 - 100 - 3.8=100 HB3 PRO 68 - HA PRO 60 OK 37 97 - 38 - 3462/2.3=6, 3441/3.6=5...(11) HG2 PRO 68 - HA PRO 60 OK 34 95 - 36 - 3471/3.6=7, 3472/3.6=6...(8) HG2 PRO 60 - HA PRO 70 OK 30 46 - 64 - 2.3/3459=9, 2.3/3438=9...(17) HB2 ARG 71 - HA PRO 60 OK 23 85 - 27 - ~3459=4, ~3452=4...(10) HB2 LEU 41 - HA PRO 60 OK 19 97 - 20 - 3441/3.6=3, 3434/3.6=3...(8) HB2 ARG 71 - HA PRO 70 OK 19 34 - 56 - 3846/3.5=28, ~3810=6...(11) HB2 LEU 55 - HA PRO 60 OK 13 99 - 14 - 3462/2.3=3, 3434/3.6=2...(5) HB3 PRO 68 - HA PRO 70 OK 12 43 - 29 - 3739/2.3=5, ~3725=4...(11) HB ILE 124 - HA PRO 60 OK 12 97 - 12 - 3434/3.6=2, 3441/3.6=2...(6) HG2 PRO 68 - HA PRO 70 OK 12 40 - 29 - ~3739=4, ~3818=4...(12) HB3 ARG 53 - HA PRO 60 OK 10 57 - 17 - ~6068=3, ~3134=2...(10) HG LEU 114 - HA PRO 70 poor 10 40 - 24 - 7944/3.6=4, ~7958=4...(9) HG LEU 114 - HA PRO 60 lone 7 95 - 7 - HB2 LYS 46 - HA PRO 60 lone 5 100 - 5 - 3434/3.6=1 HB3 GLN 103 - HA PRO 70 poor 5 43 - 13 - 4.0/1735=3, 4734/3.8=2...(4) HB2 MET 11 - HA PRO 60 lone 5 99 - 5 - HB2 LEU 41 - HA PRO 70 poor 5 43 - 11 - ~7254=4, ~7258=2 HB3 GLN 103 - HA PRO 60 lone 5 97 - 5 - HB2 LYS 46 - HA PRO 70 lone 4 45 - 9 - 2930/3.6=1 HB2 MET 11 - HA PRO 70 lone 4 45 - 9 - ~8319=3, ~8320=2 HB2 LEU 55 - HA PRO 70 lone 4 44 - 8 - ~7016=2, ~7258=2 HB2 GLU 94 - HA PRO 60 lone 3 100 - 3 - HG LEU 45 - HA PRO 60 lone 3 81 - 4 - HG LEU 45 - HA PRO 70 lone 3 32 - 9 - 1108/3.5=3, ~7257=1 HB2 GLU 94 - HA PRO 70 lone 2 45 - 5 - HB ILE 124 - HA PRO 70 lone 2 43 - 4 - HB3 ARG 53 - HA PRO 70 lone 1 21 - 6 - ~8750=1 Peak 3449 from cnoeabs.peaks (2.05, 4.47, 63.39 ppm; 4.43 A): 5 out of 20 assignments used, quality = 1.00: * HG3 PRO 60 + HA PRO 60 OK 100 100 - 100 - 3.8=100 HB2 GLU 56 + HA PRO 60 OK 71 99 - 71 - 3.0/7024=21, 3272/2.3=9...(18) HG3 PRO 37 + HA PRO 60 OK 63 100 - 63 - 3478/3.6=9, 3473=8...(18) HG3 PRO 70 + HA PRO 60 OK 53 100 - 53 - 2.3/3810=6, 2.3/3817=6...(18) HG3 PRO 70 + HA PRO 70 OK 45 45 - 100 - 3.8=100 HB2 ARG 57 - HA PRO 60 OK 30 68 - 44 - ~3460=5, ~3465=4...(17) HG3 PRO 60 - HA PRO 70 OK 30 46 - 65 - 3473=9, 2.3/3459=9...(16) HB ILE 63 - HA PRO 60 OK 27 87 - 31 - 282/3.5=4, ~7141=3...(16) HB2 GLU 56 - HA PRO 70 OK 20 45 - 45 - 3.0/7024=10, 3814/2.3=7...(14) HG3 PRO 37 - HA PRO 70 OK 18 46 - 38 - 3821/2.3=6, 3814/2.3=6...(13) HB3 ARG 53 - HA PRO 60 OK 12 71 - 17 - ~6068=2, ~3134=2...(8) HB3 ARG 81 - HA PRO 60 lone 9 99 - 9 - 282/3.5=1, 3272/2.3=1 HB3 GLU 38 - HA PRO 60 lone 8 93 - 8 - ~6710=1 HB3 GLU 38 - HA PRO 70 poor 8 39 - 20 - 3821/2.3=3, 3814/2.3=3...(11) HB ILE 63 - HA PRO 70 poor 6 35 - 16 - 3814/2.3=2, 3821/2.3=2...(7) HB3 ARG 81 - HA PRO 70 lone 4 45 - 9 - 331/3.5=2, 3814/2.3=1 HB3 ARG 53 - HA PRO 70 poor 3 27 - 12 - 331/3.5=2, 3814/2.3=2...(5) HB2 ARG 57 - HA PRO 70 lone 1 25 - 5 - HG2 GLU 64 - HA PRO 60 lone 1 68 - 2 - HG2 GLU 64 - HA PRO 70 lone 1 25 - 3 - Peak 3452 from cnoeabs.peaks (4.47, 1.80, 31.50 ppm; 3.71 A): 2 out of 12 assignments used, quality = 1.00: * HA PRO 60 + HB2 PRO 60 OK 100 100 - 100 - 2.3=100 HA PRO 70 + HB2 PRO 60 OK 45 90 - 50 - 3459/1.8=8, 3473/2.3=5...(20) HA ARG 71 - HB2 PRO 60 OK 33 90 - 37 - 3.0/8415=5, 3459/1.8=5...(14) HA PRO 60 - HB2 PRO 37 OK 32 60 - 52 - 2.3/3460=7, 3473/2.3=5...(24) HA PRO 70 - HB2 PRO 37 OK 11 49 - 22 - 3473/2.3=3, ~3821=3...(8) HA SER 90 - HB2 PRO 60 lone 8 100 - 8 - 3459/1.8=1, 278/4.2=1 HA LEU 101 - HB2 PRO 60 lone 3 73 - 4 - HA SER 113 - HB2 PRO 60 lone 3 63 - 5 - HA ARG 71 - HB2 PRO 37 lone 3 49 - 6 - 3.0/8415=1, ~331=1 HA LEU 101 - HB2 PRO 37 lone 2 37 - 5 - ~1729=1 HA SER 113 - HB2 PRO 37 lone 1 31 - 5 - HA SER 90 - HB2 PRO 37 lone 1 60 - 2 - Peak 3453 from cnoeabs.peaks (1.80, 1.80, 31.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 60 + HB2 PRO 60 OK 100 100 - 100 HB2 PRO 37 + HB2 PRO 37 OK 48 48 - 100 Peak 3454 from cnoeabs.peaks (2.32, 1.80, 31.50 ppm; 2.82 A): 2 out of 16 assignments used, quality = 1.00: * HB3 PRO 60 + HB2 PRO 60 OK 100 100 - 100 - 1.8=100 HG3 GLU 56 + HB2 PRO 60 OK 45 100 - 45 - ~3284=4, 3288=4...(19) HB3 PRO 60 - HB2 PRO 37 OK 33 60 - 56 - 3460=8, 3463/2.3=4...(39) HB2 LEU 54 - HB2 PRO 60 OK 26 97 - 27 - 6053/3.0=3, ~3193=3...(14) HG2 PRO 70 - HB2 PRO 60 OK 21 60 - 35 - 1.8/3456=2, 3.8/3452=2...(22) HG3 GLU 56 - HB2 PRO 37 OK 13 60 - 22 - 3288=3, 1.8/3282=2...(7) HB VAL 120 - HB2 PRO 60 poor 9 78 - 11 - ~5292=1, ~5297=1, 3460=1 HG2 PRO 70 - HB2 PRO 37 poor 6 29 - 19 - ~3821=1, ~3814=1...(10) HB2 GLU 82 - HB2 PRO 60 lone 5 83 - 6 - HB3 GLU 82 - HB2 PRO 60 lone 5 83 - 6 - HG2 GLN 16 - HB2 PRO 60 lone 3 92 - 3 - HB2 LEU 54 - HB2 PRO 37 lone 2 55 - 4 - HG2 GLN 16 - HB2 PRO 37 lone 2 50 - 4 - HB2 GLU 82 - HB2 PRO 37 lone 1 43 - 2 - HB3 GLU 82 - HB2 PRO 37 lone 1 43 - 2 - HB VAL 120 - HB2 PRO 37 lone 0 40 - 1 - Peak 3455 from cnoeabs.peaks (1.99, 1.80, 31.50 ppm; 3.53 A): 1 out of 28 assignments used, quality = 1.00: * HG2 PRO 60 + HB2 PRO 60 OK 100 100 - 100 - 2.3=100 HG2 PRO 60 - HB2 PRO 37 OK 44 60 - 73 - 3467=7, 3476/2.3=7...(39) HB3 PRO 68 - HB2 PRO 60 OK 40 97 - 42 - 3462/1.8=5, 3476/2.3=4...(22) HG2 PRO 68 - HB2 PRO 60 OK 34 95 - 37 - 3471/3.0=5, 3472/3.0=4...(14) HB2 ARG 71 - HB2 PRO 60 OK 22 85 - 26 - 4.0/8415=4, 3.0/3452=3...(14) HB2 LEU 41 - HB2 PRO 60 OK 21 97 - 22 - 3462/1.8=2, 3441/3.0=2...(8) HB2 LEU 55 - HB2 PRO 60 OK 16 99 - 17 - 4.2/1034=3, 3462/1.8=2...(5) HB ILE 124 - HB2 PRO 60 OK 12 97 - 12 - 3434/3.0=1, 3441/3.0=1...(4) HB3 ARG 53 - HB2 PRO 60 OK 12 57 - 21 - 3.0/6068=2, 1.8/3134=2...(7) HB2 LEU 55 - HB2 PRO 37 poor 8 57 - 13 - 4.2/1034=2, 3227/3.0=1 HG LEU 114 - HB2 PRO 60 lone 6 95 - 6 - HB2 LYS 46 - HB2 PRO 37 lone 6 59 - 10 - 8272/3.0=1, ~8574=1 HB3 ARG 53 - HB2 PRO 37 poor 5 28 - 18 - 3.0/6068=4, ~8432=3...(6) HB2 LYS 46 - HB2 PRO 60 lone 5 100 - 5 - HB2 LEU 41 - HB2 PRO 37 lone 4 56 - 8 - 2784/3.9=2 HB2 MET 11 - HB2 PRO 60 lone 4 99 - 4 - HB ILE 124 - HB2 PRO 37 lone 4 56 - 7 - 5342/2.3=1 HG LEU 45 - HB2 PRO 60 lone 3 81 - 4 - HB2 GLU 94 - HB2 PRO 60 lone 3 100 - 3 - HB3 GLN 103 - HB2 PRO 60 lone 3 97 - 3 - HB3 PRO 68 - HB2 PRO 37 lone 3 56 - 5 - HG2 PRO 68 - HB2 PRO 37 lone 3 53 - 5 - HB2 GLU 94 - HB2 PRO 37 lone 2 59 - 4 - 4518/3.9=1 HB3 GLN 103 - HB2 PRO 37 lone 2 56 - 4 - HB2 ARG 71 - HB2 PRO 37 lone 1 45 - 3 - HG LEU 45 - HB2 PRO 37 lone 1 42 - 3 - HG LEU 114 - HB2 PRO 37 lone 1 53 - 2 - HB2 MET 11 - HB2 PRO 37 lone 1 58 - 2 - Peak 3456 from cnoeabs.peaks (2.05, 1.80, 31.50 ppm; 3.15 A): 5 out of 20 assignments used, quality = 1.00: * HG3 PRO 60 + HB2 PRO 60 OK 100 100 - 100 - 2.3=100 HB2 GLU 56 + HB2 PRO 60 OK 63 99 - 64 - 3270=6, 3463/1.8=6...(33) HG3 PRO 37 + HB2 PRO 60 OK 60 100 - 60 - 3476/2.3=6, 3463/1.8=5...(33) HG3 PRO 37 + HB2 PRO 37 OK 60 60 - 100 - 2.3=100 HG3 PRO 70 + HB2 PRO 60 OK 48 100 - 48 - 3463/1.8=4, 3470/2.3=3...(32) HG3 PRO 60 - HB2 PRO 37 OK 39 60 - 64 - 2697/3.0=7, 2689/2.3=6...(34) HB2 ARG 57 - HB2 PRO 60 OK 35 68 - 52 - 3302=4, 3.0/3326=3...(29) HB2 GLU 56 - HB2 PRO 37 OK 24 59 - 40 - 3270=4, 2689/2.3=3...(20) HB ILE 63 - HB2 PRO 60 OK 23 87 - 26 - 3463/1.8=2, 282/4.2=2...(14) HG3 PRO 70 - HB2 PRO 37 OK 20 59 - 33 - ~8256=3, 2689/2.3=3...(16) HB3 GLU 38 - HB2 PRO 37 OK 16 52 - 31 - 149/3.9=5, 3.0/6710=3...(13) HB3 ARG 53 - HB2 PRO 60 OK 12 71 - 18 - 3.0/6068=2, 1.8/3134=1...(4) HB2 ARG 57 - HB2 PRO 37 OK 12 34 - 35 - 2689/2.3=2, 2682/1.8=2...(17) HB3 GLU 38 - HB2 PRO 60 poor 10 93 - 10 - 3.0/6710=1, ~6005=1 HB ILE 63 - HB2 PRO 37 poor 8 46 - 17 - 2668/2.3=1, 2689/2.3=1...(4) HB3 ARG 81 - HB2 PRO 60 lone 7 99 - 7 - HB3 ARG 53 - HB2 PRO 37 poor 7 36 - 18 - 3.0/6068=3, ~8432=2...(7) HB3 ARG 81 - HB2 PRO 37 lone 4 59 - 7 - HG2 GLU 64 - HB2 PRO 37 lone 1 34 - 4 - HG2 GLU 64 - HB2 PRO 60 lone 1 68 - 1 - Peak 3457 from cnoeabs.peaks (3.55, 1.80, 31.50 ppm; 4.13 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 60 + HB2 PRO 60 OK 100 100 - 100 - 3.0=100 HD2 PRO 60 + HB2 PRO 37 OK 49 60 - 81 - 3478/2.3=10, ~6000=10...(39) HB2 ASP 47 - HB2 PRO 60 OK 29 98 - 30 - 6872/2.3=9, 6871/1.8=9...(6) HA ASN 118 - HB2 PRO 60 OK 25 100 - 25 - 3443/3.0=4, 3464/1.8=4...(8) HA LEU 51 - HB2 PRO 60 OK 25 97 - 25 - 6052/1.8=6, 3471/2.3=4...(7) HA ASN 118 - HB2 PRO 37 lone 5 60 - 8 - ~599=1 HA LEU 51 - HB2 PRO 37 lone 2 56 - 4 - 6050/3.9=1 HB2 ASP 47 - HB2 PRO 37 lone 2 57 - 4 - 6872/2.3=1 Peak 3458 from cnoeabs.peaks (3.34, 1.80, 31.50 ppm; 4.14 A): 3 out of 8 assignments used, quality = 1.00: * HD3 PRO 60 + HB2 PRO 60 OK 100 100 - 100 - 3.0=100 HD2 ARG 57 + HB2 PRO 60 OK 53 76 - 70 - 3465/1.8=9, 3472/2.3=7...(34) HD3 PRO 60 + HB2 PRO 37 OK 49 60 - 82 - 6000/2.3=13, 3479/2.3=9...(39) HB3 PHE 40 - HB2 PRO 60 OK 30 96 - 31 - 3465/1.8=5, 3472/2.3=4...(10) HB3 PHE 40 - HB2 PRO 37 OK 29 54 - 54 - 6000/2.3=18, ~5998=16...(9) HD3 ARG 85 - HB2 PRO 60 OK 20 100 - 20 - 3465/1.8=3, 3437/3.0=3...(8) HD2 ARG 57 - HB2 PRO 37 OK 16 39 - 43 - 1.8/3342=3, 3334=3...(21) HD3 ARG 85 - HB2 PRO 37 lone 3 59 - 5 - 6000/2.3=1 Peak 3459 from cnoeabs.peaks (4.47, 2.32, 31.50 ppm; 3.38 A): 1 out of 12 assignments used, quality = 1.00: * HA PRO 60 + HB3 PRO 60 OK 100 100 - 100 - 2.3=100 HA PRO 70 - HB3 PRO 60 OK 37 90 - 42 - 3452/1.8=6, 3473/2.3=5...(17) HA ARG 71 - HB3 PRO 60 OK 26 90 - 29 - 3452/1.8=4, 3840/2.3=3...(10) HA PRO 60 - HB VAL 120 poor 9 61 - 14 - ~5292=1, ~5297=1, 3447=1...(8) HA SER 90 - HB3 PRO 60 lone 7 100 - 7 - 278/4.2=1, 3452/1.8=1 HA LEU 101 - HB VAL 120 lone 4 38 - 10 - 4650/2.1=3, ~4664=2...(4) HA SER 90 - HB VAL 120 lone 3 60 - 5 - ~7567=2, ~7574=2 HA LEU 101 - HB3 PRO 60 lone 3 73 - 4 - HA SER 113 - HB3 PRO 60 lone 3 63 - 4 - HA SER 113 - HB VAL 120 lone 1 31 - 2 - ~8041=1 HA PRO 70 - HB VAL 120 lone 1 50 - 1 - HA ARG 71 - HB VAL 120 lone 0 50 - 1 - Peak 3460 from cnoeabs.peaks (1.80, 2.32, 31.50 ppm; 2.73 A): 3 out of 24 assignments used, quality = 1.00: * HB2 PRO 60 + HB3 PRO 60 OK 100 100 - 100 - 1.8=100 HB3 GLU 56 + HB3 PRO 60 OK 50 97 - 51 - 3.0/3284=5, 3278=5...(31) HB2 PRO 37 + HB3 PRO 60 OK 46 89 - 52 - 3454=6, 2.3/3463=4...(39) HB3 ARG 57 - HB3 PRO 60 OK 37 98 - 38 - 3313/3.0=3, 3467/2.3=3...(20) HG13 ILE 63 - HB3 PRO 60 OK 16 89 - 17 - 2.1/7148=2, 3.2/7141=1...(5) HG3 ARG 53 - HB3 PRO 60 poor 8 73 - 11 - HG2 GLU 75 - HB3 PRO 60 lone 7 97 - 7 - HB2 PRO 60 - HB VAL 120 poor 7 61 - 11 - 3454=1, ~5292=1, ~5297=1 HG LEU 41 - HB3 PRO 60 poor 6 60 - 11 - ~7089=1, ~7091=1 HB2 GLU 75 - HB3 PRO 60 lone 5 63 - 7 - HB3 GLN 105 - HB VAL 120 lone 4 51 - 7 - 5852/3.8=1 HB3 GLU 56 - HB VAL 120 lone 4 56 - 7 - 3.0/3266=1, 3.7/1036=1 HB3 ARG 92 - HB3 PRO 60 lone 3 100 - 3 - HG13 ILE 63 - HB VAL 120 lone 2 48 - 5 - ~7149=2 HB3 ARG 57 - HB VAL 120 lone 2 57 - 3 - 3.7/262=1 HB2 LYS 32 - HB3 PRO 60 lone 2 89 - 2 - HB3 GLN 105 - HB3 PRO 60 lone 2 92 - 2 - HG3 ARG 53 - HB VAL 120 lone 1 38 - 2 - HB2 LYS 32 - HB VAL 120 lone 1 48 - 1 - HB2 PRO 37 - HB VAL 120 lone 0 48 - 1 - HG2 GLU 75 - HB VAL 120 lone 0 56 - 1 - HB3 ARG 92 - HB VAL 120 lone 0 61 - 0 - HB2 GLU 75 - HB VAL 120 lone 0 31 - 1 - HG LEU 41 - HB VAL 120 lone 0 30 - 0 - Peak 3461 from cnoeabs.peaks (2.32, 2.32, 31.50 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 60 + HB3 PRO 60 OK 100 100 - 100 HB VAL 120 - HB VAL 120 OK 41 41 - 100 Peak 3462 from cnoeabs.peaks (1.99, 2.32, 31.50 ppm; 3.44 A): 1 out of 28 assignments used, quality = 1.00: * HG2 PRO 60 + HB3 PRO 60 OK 100 100 - 100 - 2.3=100 HB3 PRO 68 - HB3 PRO 60 OK 38 97 - 40 - 3455/1.8=4, 3476/2.3=4...(19) HG2 PRO 68 - HB3 PRO 60 OK 33 95 - 36 - 3468=5, 3471/3.0=4...(12) HB2 LEU 41 - HB3 PRO 60 OK 19 97 - 19 - 3441/3.0=2, 3455/1.8=2...(8) HB2 ARG 71 - HB3 PRO 60 OK 18 85 - 21 - 3.0/3459=4, 3455/1.8=2...(12) HB2 LEU 55 - HB3 PRO 60 OK 18 99 - 18 - 4.2/1036=4, 4.0/245=3...(6) HB ILE 124 - HB3 PRO 60 OK 11 97 - 11 - 3434/3.0=1, 3441/3.0=1...(4) HB3 ARG 53 - HB3 PRO 60 OK 11 57 - 19 - 4.4/1019=3, ~6068=1...(7) HB2 LEU 55 - HB VAL 120 OK 11 58 - 18 - ~7009=4, ~8292=2...(7) HG2 PRO 60 - HB VAL 120 poor 9 61 - 15 - 2.3/3433=2, 2.3/3465=2...(10) HG LEU 114 - HB3 PRO 60 lone 6 95 - 6 - HG LEU 114 - HB VAL 120 lone 5 53 - 10 - ~7960=4, ~8372=1, ~8053=1 HB ILE 124 - HB VAL 120 lone 5 56 - 9 - ~8121=4, ~8056=4 HB2 LYS 46 - HB3 PRO 60 lone 4 100 - 4 - HB2 MET 11 - HB3 PRO 60 lone 4 99 - 4 - HG LEU 45 - HB3 PRO 60 lone 3 81 - 4 - HB2 GLU 94 - HB3 PRO 60 lone 3 100 - 3 - HB3 GLN 103 - HB3 PRO 60 lone 3 97 - 3 - HB2 LYS 46 - HB VAL 120 lone 2 60 - 4 - ~8056=1 HB2 MET 11 - HB VAL 120 lone 2 59 - 3 - HG LEU 45 - HB VAL 120 lone 1 42 - 2 - HG2 PRO 68 - HB VAL 120 lone 1 53 - 2 - HB3 PRO 68 - HB VAL 120 lone 1 56 - 1 - HB3 GLN 103 - HB VAL 120 lone 1 56 - 1 - HB2 GLU 94 - HB VAL 120 lone 1 60 - 1 - HB2 ARG 71 - HB VAL 120 lone 1 45 - 1 - HB3 ARG 53 - HB VAL 120 lone 1 28 - 2 - HB2 LEU 41 - HB VAL 120 lone 1 56 - 1 - Peak 3463 from cnoeabs.peaks (2.05, 2.32, 31.50 ppm; 3.22 A): 4 out of 20 assignments used, quality = 1.00: * HG3 PRO 60 + HB3 PRO 60 OK 100 100 - 100 - 2.3=100 HB2 GLU 56 + HB3 PRO 60 OK 66 99 - 66 - 1.8/3278=7, 3.0/3284=7...(34) HG3 PRO 37 + HB3 PRO 60 OK 64 100 - 64 - 3475=6, 3476/2.3=6...(37) HG3 PRO 70 + HB3 PRO 60 OK 50 100 - 50 - 3.8/3459=4, 3470/2.3=3...(33) HB2 ARG 57 - HB3 PRO 60 OK 34 68 - 51 - 1.8/3460=5, 3.5/3465=4...(30) HB ILE 63 - HB3 PRO 60 OK 22 87 - 26 - 2.1/7141=2, 3.2/7148=2...(11) HB3 ARG 53 - HB3 PRO 60 OK 13 71 - 18 - 4.4/1019=2, 3272=1...(5) HB3 GLU 38 - HB3 PRO 60 lone 8 93 - 9 - ~6005=1 HG3 PRO 60 - HB VAL 120 poor 8 61 - 13 - 2.3/3433=1, 2.3/3465=1...(7) HB3 ARG 81 - HB3 PRO 60 lone 8 99 - 7 - HB2 GLU 56 - HB VAL 120 poor 7 59 - 11 - 3.0/3266=2, 3.7/1036=2...(5) HB3 ARG 81 - HB VAL 120 lone 3 59 - 6 - ~8060=1 HB ILE 63 - HB VAL 120 lone 3 47 - 7 - ~7149=2, 4.0/7134=1 HB2 ARG 57 - HB VAL 120 lone 2 35 - 4 - 3.7/262=2 HG3 PRO 37 - HB VAL 120 lone 1 60 - 2 - HG2 GLU 64 - HB3 PRO 60 lone 1 68 - 1 - HB3 ARG 53 - HB VAL 120 lone 1 36 - 2 - HG3 PRO 70 - HB VAL 120 lone 1 60 - 1 - HB3 GLU 38 - HB VAL 120 lone 1 52 - 1 - HG2 GLU 64 - HB VAL 120 lone 0 35 - 1 - Peak 3464 from cnoeabs.peaks (3.55, 2.32, 31.50 ppm; 4.25 A): 1 out of 8 assignments used, quality = 1.00: * HD2 PRO 60 + HB3 PRO 60 OK 100 100 - 100 - 3.0=100 HA LEU 51 - HB3 PRO 60 OK 35 97 - 36 - 6052=8, 3471/2.3=4...(12) HB2 ASP 47 - HB3 PRO 60 OK 35 98 - 35 - 6871=10, 6872/2.3=10...(7) HA ASN 118 - HB3 PRO 60 OK 27 100 - 27 - 3443/3.0=5, 3457/1.8=4...(7) HA ASN 118 - HB VAL 120 OK 24 61 - 40 - 6262/4.4=13, 8022/2.1=8...(7) HD2 PRO 60 - HB VAL 120 OK 18 61 - 29 - 1800/4.4=5, 7093/3.8=4...(14) HA LEU 51 - HB VAL 120 lone 3 56 - 6 - 1800/4.4=2, ~223=1 HB2 ASP 47 - HB VAL 120 lone 2 57 - 4 - 1800/4.4=2 Peak 3465 from cnoeabs.peaks (3.34, 2.32, 31.50 ppm; 4.12 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 60 + HB3 PRO 60 OK 100 100 - 100 - 3.0=100 HD2 ARG 57 + HB3 PRO 60 OK 50 76 - 66 - 3472/2.3=7, 3437/3.0=7...(33) HB3 PHE 40 - HB3 PRO 60 OK 27 96 - 28 - 3472/2.3=4, 3437/3.0=4...(10) HD3 ARG 85 - HB3 PRO 60 OK 18 100 - 18 - 3437/3.0=3, 3472/2.3=3...(8) HD3 PRO 60 - HB VAL 120 OK 14 61 - 22 - 3440=3, 7092/3.8=3...(13) HD2 ARG 57 - HB VAL 120 lone 2 39 - 6 - 6.0/262=2 HD3 ARG 85 - HB VAL 120 lone 1 60 - 1 - HB3 PHE 40 - HB VAL 120 lone 1 55 - 1 - Peak 3466 from cnoeabs.peaks (4.47, 1.99, 27.13 ppm; 4.44 A): 2 out of 12 assignments used, quality = 1.00: * HA PRO 60 + HG2 PRO 60 OK 100 100 - 100 - 3.8=100 HA PRO 70 + HG2 PRO 60 OK 51 90 - 56 - 3459/2.3=9, 3473/1.8=8...(16) HA ARG 71 - HG2 PRO 60 OK 41 90 - 45 - 3459/2.3=6, 3438/2.3=6...(16) HA PRO 60 - HG2 PRO 68 OK 30 93 - 33 - 3.6/3471=6, 3.6/3472=5...(9) HA PRO 70 - HG2 PRO 68 OK 19 80 - 23 - ~3739=3, ~3818=3...(11) HA ARG 71 - HG2 PRO 68 poor 10 80 - 12 - ~328=1, 3.0/1108=1...(4) HA SER 90 - HG2 PRO 60 lone 8 100 - 8 - 3459/2.3=2, 3452/2.3=2...(5) HA SER 113 - HG2 PRO 68 poor 7 53 - 13 - 3.6/1356=3, 3.0/7935=2...(5) HA SER 113 - HG2 PRO 60 lone 5 63 - 8 - HA LEU 101 - HG2 PRO 60 lone 4 73 - 6 - HA SER 90 - HG2 PRO 68 lone 1 92 - 2 - HA LEU 101 - HG2 PRO 68 lone 1 63 - 2 - Peak 3467 from cnoeabs.peaks (1.80, 1.99, 27.13 ppm; 3.04 A): 3 out of 24 assignments used, quality = 1.00: * HB2 PRO 60 + HG2 PRO 60 OK 100 100 - 100 - 2.3=100 HB2 PRO 37 + HG2 PRO 60 OK 54 89 - 61 - 2.3/3476=5, 3460/2.3=5...(38) HB3 GLU 56 + HG2 PRO 60 OK 51 97 - 53 - 3278/2.3=5, 1.8/3470=5...(28) HB3 ARG 57 - HG2 PRO 60 OK 45 98 - 46 - 3460/2.3=4, 3313/2.3=4...(28) HB2 PRO 60 - HG2 PRO 68 OK 28 93 - 30 - 3.0/3471=3, 3.0/3472=3...(12) HB3 GLU 56 - HG2 PRO 68 OK 23 87 - 27 - 3277/2.3=2, 6069/2.3=2...(13) HG13 ILE 63 - HG2 PRO 60 OK 18 89 - 20 - 2.1/8309=3, 3460/2.3=2...(7) HB3 ARG 92 - HG2 PRO 68 OK 16 93 - 17 - 4432/1.8=2, 1.8/3749=2...(9) HG3 ARG 53 - HG2 PRO 60 OK 12 73 - 16 - 3156/1.8=1 HG LEU 41 - HG2 PRO 60 OK 10 60 - 17 - ~7091=2, ~7089=2...(6) HG2 GLU 75 - HG2 PRO 60 lone 8 97 - 9 - HG2 GLU 75 - HG2 PRO 68 lone 7 88 - 8 - ~7227=2, ~7229=1...(4) HG LEU 41 - HG2 PRO 68 poor 5 51 - 11 - ~7228=1, ~7226=1, 2.1/2807=1 HB2 GLU 75 - HG2 PRO 60 lone 5 63 - 9 - HG13 ILE 63 - HG2 PRO 68 lone 5 78 - 6 - ~7152=1 HB3 ARG 92 - HG2 PRO 60 lone 3 100 - 3 - HB2 GLU 75 - HG2 PRO 68 lone 3 53 - 6 - ~7227=1 HG3 ARG 53 - HG2 PRO 68 lone 3 63 - 5 - HB2 PRO 37 - HG2 PRO 68 lone 3 78 - 4 - HB3 GLN 105 - HG2 PRO 60 lone 2 92 - 2 - HB3 ARG 57 - HG2 PRO 68 lone 2 89 - 2 - HB2 LYS 32 - HG2 PRO 60 lone 2 89 - 2 - HB3 GLN 105 - HG2 PRO 68 lone 1 81 - 1 - HB2 LYS 32 - HG2 PRO 68 lone 0 78 - 1 - Peak 3468 from cnoeabs.peaks (2.32, 1.99, 27.13 ppm; 3.65 A): 2 out of 16 assignments used, quality = 1.00: * HB3 PRO 60 + HG2 PRO 60 OK 100 100 - 100 - 2.3=100 HG3 GLU 56 + HG2 PRO 60 OK 62 100 - 63 - 3287/1.8=7, 3454/2.3=7...(27) HB2 LEU 54 - HG2 PRO 60 OK 42 97 - 43 - 6053/2.3=6, 3440/2.3=4...(18) HB3 PRO 60 - HG2 PRO 68 OK 39 93 - 42 - 3462=5, 3.0/3471=5...(18) HG2 PRO 70 - HG2 PRO 60 OK 28 60 - 48 - ~3814=4, ~3821=4...(24) HG3 GLU 56 - HG2 PRO 68 OK 27 92 - 30 - 3289/2.3=4, 8732/2.3=3...(15) HB VAL 120 - HG2 PRO 60 OK 13 78 - 17 - 3433/2.3=2, 3465/2.3=2...(12) HG2 PRO 70 - HG2 PRO 68 OK 12 51 - 23 - ~3832=2, ~3739=2...(12) HB2 GLU 82 - HG2 PRO 60 poor 9 83 - 10 - HB3 GLU 82 - HG2 PRO 60 poor 9 83 - 10 - HB2 LEU 54 - HG2 PRO 68 lone 7 87 - 8 - 4.6/1026=1, ~7227=1 HG2 GLN 16 - HG2 PRO 60 lone 5 92 - 5 - HB VAL 120 - HG2 PRO 68 lone 1 68 - 2 - HB3 GLU 82 - HG2 PRO 68 lone 1 72 - 1 - HB2 GLU 82 - HG2 PRO 68 lone 1 72 - 1 - HG2 GLN 16 - HG2 PRO 68 lone 1 81 - 1 - Peak 3469 from cnoeabs.peaks (1.99, 1.99, 27.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 60 + HG2 PRO 60 OK 100 100 - 100 HG2 PRO 68 + HG2 PRO 68 OK 84 84 - 100 Peak 3470 from cnoeabs.peaks (2.05, 1.99, 27.13 ppm; 2.40 A): 1 out of 20 assignments used, quality = 1.00: * HG3 PRO 60 + HG2 PRO 60 OK 100 100 - 100 - 1.8=100 HG3 PRO 37 - HG2 PRO 60 OK 41 100 - 42 - 3476=6, 3478/2.3=3...(22) HB2 GLU 56 - HG2 PRO 60 OK 34 99 - 35 - 3463/2.3=3, 1.8/3467=3...(19) HG3 PRO 70 - HG2 PRO 60 OK 23 100 - 24 - 3463/2.3=2, 3435/2.3=2...(11) HB2 ARG 57 - HG2 PRO 60 OK 20 68 - 29 - 1.8/3467=2, 3.5/3472=2...(14) HG3 PRO 60 - HG2 PRO 68 OK 19 93 - 21 - 3476=3, 2.3/3471=2...(6) HB2 GLU 56 - HG2 PRO 68 OK 13 91 - 15 - 1.8/3467=1, 3.7/252=1 HB ILE 63 - HG2 PRO 60 OK 10 87 - 12 - 3.2/8309=1 HG3 PRO 70 - HG2 PRO 68 poor 10 92 - 11 - 3832/2.3=2 HB3 ARG 53 - HG2 PRO 60 lone 6 71 - 9 - HB3 GLU 38 - HG2 PRO 60 lone 5 93 - 5 - 3.0/6005=1 HB3 ARG 81 - HG2 PRO 60 lone 3 99 - 3 - HG3 PRO 37 - HG2 PRO 68 lone 2 92 - 2 - HB ILE 63 - HG2 PRO 68 lone 2 76 - 3 - HB3 GLU 38 - HG2 PRO 68 lone 2 83 - 2 - HB3 ARG 53 - HG2 PRO 68 lone 2 61 - 3 - HB3 ARG 81 - HG2 PRO 68 lone 1 91 - 1 - HG2 GLU 64 - HG2 PRO 68 lone 1 58 - 1 - HB2 ARG 57 - HG2 PRO 68 lone 0 58 - 1 - HG2 GLU 64 - HG2 PRO 60 lone 0 68 - 1 - Peak 3471 from cnoeabs.peaks (3.55, 1.99, 27.13 ppm; 3.73 A): 1 out of 8 assignments used, quality = 1.00: * HD2 PRO 60 + HG2 PRO 60 OK 100 100 - 100 - 2.3=100 HD2 PRO 60 - HG2 PRO 68 OK 38 93 - 42 - 3434=6, 1.8/3472=6...(19) HB2 ASP 47 - HG2 PRO 60 OK 26 98 - 27 - 6872/1.8=8, 6871/2.3=6...(6) HA LEU 51 - HG2 PRO 60 OK 22 97 - 23 - 6052/2.3=5, 3443/2.3=4...(8) HA ASN 118 - HG2 PRO 60 OK 22 100 - 21 - 3443/2.3=4, 3478/1.8=3...(7) HA LEU 51 - HG2 PRO 68 lone 3 88 - 3 - HB2 ASP 47 - HG2 PRO 68 lone 2 89 - 3 - HA ASN 118 - HG2 PRO 68 lone 2 93 - 2 - Peak 3472 from cnoeabs.peaks (3.34, 1.99, 27.13 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 60 + HG2 PRO 60 OK 100 100 - 100 - 2.3=100 HD2 ARG 57 - HG2 PRO 60 OK 44 76 - 58 - 3437/2.3=7, 3465/2.3=6...(31) HD3 PRO 60 - HG2 PRO 68 OK 37 93 - 41 - 1.8/3471=6, 3441=6...(17) HB3 PHE 40 - HG2 PRO 60 OK 25 96 - 26 - 3437/2.3=4, 3465/2.3=3...(11) HD3 ARG 85 - HG2 PRO 60 OK 17 100 - 17 - 3437/2.3=3, 3465/2.3=2...(8) HD3 ARG 85 - HG2 PRO 68 lone 5 92 - 5 - HB3 PHE 40 - HG2 PRO 68 lone 2 86 - 2 - HD2 ARG 57 - HG2 PRO 68 lone 1 65 - 2 - Peak 3473 from cnoeabs.peaks (4.47, 2.05, 27.13 ppm; 3.90 A): 3 out of 12 assignments used, quality = 1.00: * HA PRO 60 + HG3 PRO 60 OK 100 100 - 100 - 3.8=100 HA PRO 70 + HG3 PRO 60 OK 50 90 - 55 - 2.3/3814=8, 3459/2.3=8...(16) HA PRO 60 + HG3 PRO 37 OK 47 88 - 54 - 3.6/3478=7, 2.3/3463=7...(18) HA ARG 71 - HG3 PRO 60 OK 33 90 - 36 - 3.0/331=6, 3459/2.3=5...(11) HA PRO 70 - HG3 PRO 37 OK 24 74 - 33 - 2.3/3814=5, 2.3/3821=5...(13) HA SER 90 - HG3 PRO 60 lone 7 100 - 7 - 3459/2.3=1, 3452/2.3=1 HA ARG 71 - HG3 PRO 37 lone 6 74 - 8 - 3.0/331=2 HA LEU 101 - HG3 PRO 60 lone 4 73 - 5 - HA SER 113 - HG3 PRO 60 lone 3 63 - 5 - HA LEU 101 - HG3 PRO 37 lone 3 58 - 5 - HA SER 113 - HG3 PRO 37 lone 2 49 - 5 - HA SER 90 - HG3 PRO 37 lone 2 87 - 3 - Peak 3474 from cnoeabs.peaks (1.80, 2.05, 27.13 ppm; 3.19 A): 6 out of 24 assignments used, quality = 1.00: * HB2 PRO 60 + HG3 PRO 60 OK 100 100 - 100 - 2.3=100 HB2 PRO 37 + HG3 PRO 37 OK 73 73 - 100 - 2.3=100 HB3 GLU 56 + HG3 PRO 60 OK 57 97 - 60 - 3275=7, 3278/2.3=6...(31) HB2 PRO 37 + HG3 PRO 60 OK 57 89 - 64 - 2.3/2689=7, 3460/2.3=5...(33) HB2 PRO 60 + HG3 PRO 37 OK 54 88 - 62 - 2.3/3476=6, 1.8/3463=6...(32) HB3 ARG 57 + HG3 PRO 60 OK 50 98 - 51 - 3313/2.3=4, 3460/2.3=4...(33) HB3 GLU 56 - HG3 PRO 37 OK 30 82 - 37 - 3275=4, 2686/1.8=2...(21) HB3 ARG 57 - HG3 PRO 37 OK 26 84 - 31 - 3.7/259=2, ~6682=2...(12) HG13 ILE 63 - HG3 PRO 60 OK 21 89 - 24 - ~8309=2, 3460/2.3=2...(11) HG2 GLU 75 - HG3 PRO 37 OK 17 83 - 21 - 3968/2.3=2, ~6682=2...(9) HG3 ARG 53 - HG3 PRO 60 OK 15 73 - 20 - 3.9/6066=1, 3.0/3132=1...(5) HB2 GLU 75 - HG3 PRO 37 OK 13 49 - 27 - ~6682=2, ~6678=2...(14) HG LEU 41 - HG3 PRO 60 poor 10 60 - 17 - ~7091=2, ~7089=2...(5) HG2 GLU 75 - HG3 PRO 60 lone 10 97 - 10 - HB2 LYS 32 - HG3 PRO 37 poor 10 73 - 13 - ~6677=2, ~6683=1...(6) HG3 ARG 53 - HG3 PRO 37 poor 9 58 - 16 - ~8432=2, 3.9/6066=2...(4) HG13 ILE 63 - HG3 PRO 37 poor 7 73 - 10 - HB2 GLU 75 - HG3 PRO 60 poor 7 63 - 10 - HB3 ARG 92 - HG3 PRO 60 lone 4 100 - 4 - HB2 LYS 32 - HG3 PRO 60 lone 3 89 - 3 - HB3 GLN 105 - HG3 PRO 60 lone 2 92 - 2 - HB3 ARG 92 - HG3 PRO 37 lone 2 88 - 2 - HG LEU 41 - HG3 PRO 37 lone 2 47 - 4 - HB3 GLN 105 - HG3 PRO 37 lone 1 76 - 2 - Peak 3475 from cnoeabs.peaks (2.32, 2.05, 27.13 ppm; 3.50 A): 3 out of 16 assignments used, quality = 1.00: * HB3 PRO 60 + HG3 PRO 60 OK 100 100 - 100 - 2.3=100 HB3 PRO 60 + HG3 PRO 37 OK 63 88 - 71 - 3463=8, 3.0/3478=7...(37) HG3 GLU 56 + HG3 PRO 60 OK 62 100 - 62 - 3287=8, 3454/2.3=6...(26) HB2 LEU 54 - HG3 PRO 60 OK 39 97 - 41 - 6053/2.3=5, 3468/1.8=4...(18) HG2 PRO 70 - HG3 PRO 60 OK 30 60 - 49 - 2.3/3814=6, 2.3/3821=6...(24) HG3 GLU 56 - HG3 PRO 37 OK 28 87 - 32 - 3287=4, 3288/2.3=4...(16) HG2 PRO 70 - HG3 PRO 37 OK 17 47 - 35 - 2.3/3814=4, 2.3/3821=4...(16) HB VAL 120 - HG3 PRO 60 OK 12 78 - 16 - 3433/2.3=2, 3465/2.3=2...(10) HB2 GLU 82 - HG3 PRO 60 poor 9 83 - 11 - HB3 GLU 82 - HG3 PRO 60 poor 9 83 - 11 - HG2 GLN 16 - HG3 PRO 37 lone 7 76 - 9 - 1959/2.3=1, ~1967=1 HB2 LEU 54 - HG3 PRO 37 lone 6 82 - 8 - HG2 GLN 16 - HG3 PRO 60 lone 5 92 - 5 - HB2 GLU 82 - HG3 PRO 37 lone 3 67 - 5 - HB3 GLU 82 - HG3 PRO 37 lone 3 67 - 5 - HB VAL 120 - HG3 PRO 37 lone 1 63 - 2 - Peak 3476 from cnoeabs.peaks (1.99, 2.05, 27.13 ppm; 2.64 A): 1 out of 28 assignments used, quality = 1.00: * HG2 PRO 60 + HG3 PRO 60 OK 100 100 - 100 - 1.8=100 HG2 PRO 60 - HG3 PRO 37 OK 43 88 - 49 - 3470=7, 2.3/3478=4...(31) HB3 PRO 68 - HG3 PRO 60 OK 24 97 - 25 - 3441/2.3=2, 3462/2.3=2...(7) HG2 PRO 68 - HG3 PRO 60 OK 22 95 - 23 - 3470=3, 3471/2.3=3...(8) HB2 ARG 71 - HG3 PRO 60 OK 11 85 - 14 - 4.0/331=2, 3.0/3473=1...(6) HB2 LEU 41 - HG3 PRO 60 OK 11 97 - 12 - 3441/2.3=1, 3434/2.3=1 HB2 LEU 55 - HG3 PRO 60 lone 9 99 - 9 - 4.2/1033=1, 3462/2.3=1 HB3 ARG 53 - HG3 PRO 60 poor 7 57 - 12 - 3.0/6066=1, 1.8/3132=1 HB ILE 124 - HG3 PRO 60 lone 7 97 - 7 - HB2 LEU 55 - HG3 PRO 37 lone 5 85 - 6 - HB3 ARG 53 - HG3 PRO 37 poor 5 45 - 10 - ~8432=2, 3.0/6066=2 HB2 LYS 46 - HG3 PRO 37 lone 4 87 - 5 - HG LEU 114 - HG3 PRO 60 lone 3 95 - 3 - HB2 LYS 46 - HG3 PRO 60 lone 3 100 - 3 - HB2 LEU 41 - HG3 PRO 37 lone 2 83 - 3 - HB3 PRO 68 - HG3 PRO 37 lone 2 83 - 3 - HB2 MET 11 - HG3 PRO 60 lone 2 99 - 2 - HG2 PRO 68 - HG3 PRO 37 lone 2 79 - 3 - HB2 GLU 94 - HG3 PRO 60 lone 2 100 - 2 - HB3 GLN 103 - HG3 PRO 37 lone 2 83 - 2 - HG LEU 45 - HG3 PRO 60 lone 2 81 - 2 - HB ILE 124 - HG3 PRO 37 lone 2 83 - 2 - HB3 GLN 103 - HG3 PRO 60 lone 2 97 - 2 - HB2 GLU 94 - HG3 PRO 37 lone 1 87 - 1 - HB2 ARG 71 - HG3 PRO 37 lone 1 69 - 2 - HG LEU 45 - HG3 PRO 37 lone 1 65 - 1 - HG LEU 114 - HG3 PRO 37 lone 1 79 - 1 - HB2 MET 11 - HG3 PRO 37 lone 1 85 - 1 - Peak 3477 from cnoeabs.peaks (2.05, 2.05, 27.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 60 + HG3 PRO 60 OK 100 100 - 100 HG3 PRO 37 + HG3 PRO 37 OK 87 87 - 100 Peak 3478 from cnoeabs.peaks (3.55, 2.05, 27.13 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 60 + HG3 PRO 60 OK 100 100 - 100 - 2.3=100 HD2 PRO 60 + HG3 PRO 37 OK 59 88 - 67 - 3435=9, 1.8/3479=8...(35) HB2 ASP 47 - HG3 PRO 60 OK 26 98 - 27 - 6872=8, 6871/2.3=6...(7) HA ASN 118 - HG3 PRO 60 OK 21 100 - 21 - 3443/2.3=4, 3471/1.8=3...(7) HA LEU 51 - HG3 PRO 60 OK 20 97 - 21 - 6052/2.3=4, 3443/2.3=4...(7) HA ASN 118 - HG3 PRO 37 lone 5 88 - 5 - HB2 ASP 47 - HG3 PRO 37 lone 3 84 - 3 - HA LEU 51 - HG3 PRO 37 lone 3 83 - 3 - Peak 3479 from cnoeabs.peaks (3.34, 2.05, 27.13 ppm; 3.53 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 60 + HG3 PRO 60 OK 100 100 - 100 - 2.3=100 HD3 PRO 60 + HG3 PRO 37 OK 62 88 - 70 - 3442=10, 1.8/3478=9...(36) HD2 ARG 57 - HG3 PRO 60 OK 42 76 - 55 - 3437/2.3=7, 3472/1.8=7...(28) HB3 PHE 40 - HG3 PRO 60 OK 25 96 - 26 - 3437/2.3=4, 3472/1.8=4...(11) HB3 PHE 40 - HG3 PRO 37 OK 18 80 - 23 - 6000/3.8=9, 6740/6686=4...(5) HD3 ARG 85 - HG3 PRO 60 OK 18 100 - 17 - 3437/2.3=3, 3472/1.8=3...(8) HD2 ARG 57 - HG3 PRO 37 OK 15 61 - 25 - ~6682=2, 2.9/6685=2...(9) HD3 ARG 85 - HG3 PRO 37 lone 4 87 - 4 - Peak 3480 from cnoeabs.peaks (10.09, 3.79, 44.89 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 61 + HA2 GLY 61 OK 100 100 - 100 - 3.0=100 Peak 3481 from cnoeabs.peaks (3.79, 3.79, 44.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 61 + HA2 GLY 61 OK 100 100 - 100 Peak 3482 from cnoeabs.peaks (4.19, 3.79, 44.89 ppm; 3.27 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 61 + HA2 GLY 61 OK 100 100 - 100 - 1.8=100 HA GLU 56 - HA2 GLY 61 OK 16 71 - 23 - 8301/3.0=10, 8299/3.6=7...(5) HA ARG 92 - HA2 GLY 61 lone 5 99 - 5 - 7592=1 HA ILE 22 - HA2 GLY 61 lone 5 78 - 6 - 287/3.6=2 HA LEU 126 - HA2 GLY 61 lone 2 92 - 3 - HA PRO 68 - HA2 GLY 61 lone 2 99 - 2 - HA VAL 66 - HA2 GLY 61 lone 1 81 - 1 - HA SER 13 - HA2 GLY 61 lone 1 78 - 1 - HA VAL 26 - HA2 GLY 61 lone 1 65 - 1 - HA CYS 52 - HA2 GLY 61 lone 1 63 - 1 - HA SER 78 - HA2 GLY 61 lone 0 68 - 1 - Peak 3483 from cnoeabs.peaks (10.09, 4.19, 44.89 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 61 + HA3 GLY 61 OK 100 100 - 100 - 3.0=100 Peak 3484 from cnoeabs.peaks (3.79, 4.19, 44.89 ppm; 3.32 A): 1 out of 11 assignments used, quality = 1.00: * HA2 GLY 61 + HA3 GLY 61 OK 100 100 - 100 - 1.8=100 HB2 SER 90 - HA3 GLY 61 lone 7 100 - 7 - 286/3.6=3, 1060/3.0=2 HB2 SER 74 - HA3 GLY 61 lone 3 96 - 3 - HB3 SER 74 - HA3 GLY 61 lone 3 95 - 3 - HA2 GLY 88 - HA3 GLY 61 lone 3 89 - 3 - HA3 GLY 88 - HA3 GLY 61 lone 3 81 - 3 - HB2 SER 72 - HA3 GLY 61 lone 1 87 - 1 - HA3 GLY 39 - HA3 GLY 61 lone 1 93 - 1 - HB2 SER 29 - HA3 GLY 61 lone 1 85 - 1 - HB3 SER 29 - HA3 GLY 61 lone 1 83 - 1 - HD2 PRO 30 - HA3 GLY 61 lone 1 63 - 1 - Peak 3485 from cnoeabs.peaks (4.19, 4.19, 44.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 61 + HA3 GLY 61 OK 100 100 - 100 Peak 3486 from cnoeabs.peaks (8.33, 3.99, 64.81 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * H THR 62 + HA THR 62 OK 100 100 - 100 - 3.0=100 H CYS 87 - HA THR 62 OK 16 76 - 21 - 7526/3.2=9, 3490/3.0=4 H GLY 125 - HA THR 62 lone 9 100 - 9 - 288/3.6=3, 3490/3.0=2...(4) H ILE 22 - HA THR 62 poor 9 68 - 13 - 4.0/7102=2, 5.0/7101=2...(6) H SER 74 - HA THR 62 lone 5 87 - 5 - 288/3.6=1 Peak 3487 from cnoeabs.peaks (3.99, 3.99, 64.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 62 + HA THR 62 OK 100 100 - 100 Peak 3488 from cnoeabs.peaks (3.92, 3.99, 64.81 ppm; 3.28 A): 1 out of 14 assignments used, quality = 1.00: * HB THR 62 + HA THR 62 OK 100 100 - 100 - 3.0=100 HD2 PRO 68 - HA THR 62 OK 11 100 - 12 - 3496/3.2=2, 1064/3.0=1 HD3 PRO 68 - HA THR 62 OK 11 100 - 12 - 3496/3.2=2, 1064/3.0=1 HA ARG 85 - HA THR 62 lone 9 89 - 10 - 3.0/1693=3, 3496/3.2=2...(4) HA ARG 53 - HA THR 62 poor 8 65 - 12 - ~7113=2, ~7120=2...(6) HA THR 23 - HA THR 62 lone 4 83 - 4 - HA ALA 43 - HA THR 62 lone 3 99 - 3 - HA ILE 34 - HA THR 62 lone 2 97 - 2 - HB THR 95 - HA THR 62 lone 2 71 - 3 - HA2 GLY 25 - HA THR 62 lone 2 83 - 2 - HB2 SER 112 - HA THR 62 lone 1 78 - 2 - HA3 GLY 2 - HA THR 62 lone 1 97 - 1 - HA2 GLY 2 - HA THR 62 lone 1 97 - 1 - HB3 SER 112 - HA THR 62 lone 1 73 - 2 - Peak 3489 from cnoeabs.peaks (1.11, 3.99, 64.81 ppm; 2.99 A): 3 out of 4 assignments used, quality = 0.91: * QG2 THR 62 + HA THR 62 OK 86 100 - 86 - 3.2=81, 1065/3.0=13...(4) QG2 VAL 120 + HA THR 62 OK 27 93 - 29 - 8060=10, 2.1/6259=3...(7) QD2 LEU 117 + HA THR 62 OK 16 68 - 24 - 3.1/5138=3, 3.1/5145=3...(8) QG2 VAL 50 - HA THR 62 lone 6 68 - 9 - 291/3.6=1, 3493/3.0=1, ~7112=1 Peak 3490 from cnoeabs.peaks (8.33, 3.92, 69.57 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: * H THR 62 + HB THR 62 OK 100 100 - 100 - 3.9=100 H CYS 87 - HB THR 62 OK 22 76 - 29 - 7526/2.1=12, 4.6/419=4...(6) H GLY 125 - HB THR 62 OK 12 100 - 12 - 3494/2.1=3, 288/4.4=3...(5) H ILE 22 - HB THR 62 OK 11 68 - 16 - 3494/2.1=2, 5.0/7106=2...(6) H SER 74 - HB THR 62 lone 5 87 - 5 - 3494/2.1=1, 288/4.4=1 Peak 3491 from cnoeabs.peaks (3.99, 3.92, 69.57 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 62 + HB THR 62 OK 100 100 - 100 - 3.0=100 HA ARG 81 - HB THR 62 OK 30 100 - 31 - 3495/2.1=6, 289/4.4=5...(11) HA LEU 117 - HB THR 62 OK 24 99 - 24 - 3495/2.1=6, 1063/3.9=3...(11) HA PHE 107 - HB THR 62 lone 4 96 - 5 - 3495/2.1=1 HA ALA 14 - HB THR 62 lone 2 65 - 3 - Peak 3492 from cnoeabs.peaks (3.92, 3.92, 69.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 62 + HB THR 62 OK 100 100 - 100 Peak 3493 from cnoeabs.peaks (1.11, 3.92, 69.57 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 62 + HB THR 62 OK 100 100 - 100 - 2.1=100 QG2 VAL 120 - HB THR 62 OK 19 93 - 20 - 8060/3.0=6, 1065/3.9=3...(7) QD2 LEU 117 - HB THR 62 OK 15 68 - 22 - 3489/3.0=3, 3.8/3491=3...(9) QG2 VAL 50 - HB THR 62 poor 9 68 - 13 - ~7112=2, 2.1/7106=2...(6) Peak 3494 from cnoeabs.peaks (8.33, 1.11, 22.11 ppm; 3.83 A): 1 out of 5 assignments used, quality = 0.96: * H THR 62 + QG2 THR 62 OK 96 100 - 96 - 4.0=90, 1064/2.1=24...(7) H CYS 87 - QG2 THR 62 OK 43 76 - 57 - 3.6/7513=18, 3.6/7509=18...(9) H GLY 125 - QG2 THR 62 OK 14 100 - 14 - 3.6/7109=3, 3490/2.1=3...(5) H ILE 22 - QG2 THR 62 OK 11 68 - 17 - 3490/2.1=2, 3.6/7112=2...(7) H SER 74 - QG2 THR 62 lone 6 87 - 7 - 288/4.0=1, 3490/2.1=1 Peak 3495 from cnoeabs.peaks (3.99, 1.11, 22.11 ppm; 3.13 A): 1 out of 5 assignments used, quality = 0.94: * HA THR 62 + QG2 THR 62 OK 94 100 - 94 - 3.2=92, 3.0/1065=14...(4) HA ARG 81 - QG2 THR 62 OK 24 100 - 24 - 3491/2.1=5, 289/4.0=4...(10) HA LEU 117 - QG2 THR 62 OK 23 99 - 23 - 3491/2.1=4, 5136=3...(12) HA PHE 107 - QG2 THR 62 lone 4 96 - 4 - HA ALA 14 - QG2 THR 62 lone 2 65 - 3 - Peak 3496 from cnoeabs.peaks (3.92, 1.11, 22.11 ppm; 3.18 A): 1 out of 14 assignments used, quality = 1.00: * HB THR 62 + QG2 THR 62 OK 100 100 - 100 - 2.1=100 HA ARG 85 - QG2 THR 62 OK 14 89 - 16 - 3.6/7506=9, 1064/4.0=1...(4) HA ARG 53 - QG2 THR 62 OK 12 65 - 19 - 3.0/7113=4, 3.0/7120=4...(7) HD3 PRO 68 - QG2 THR 62 OK 12 100 - 12 - 3488/3.2=2, 2.3/7114=2...(5) HD2 PRO 68 - QG2 THR 62 OK 12 100 - 12 - 3488/3.2=2, 2.3/7114=2...(5) HA ALA 43 - QG2 THR 62 lone 4 99 - 4 - 2.1/7116=1 HA THR 23 - QG2 THR 62 lone 3 83 - 4 - HA ILE 34 - QG2 THR 62 lone 2 97 - 2 - HA2 GLY 25 - QG2 THR 62 lone 2 83 - 3 - HB2 SER 112 - QG2 THR 62 lone 1 78 - 2 - HB THR 95 - QG2 THR 62 lone 1 71 - 2 - HB3 SER 112 - QG2 THR 62 lone 1 73 - 2 - HA3 GLY 2 - QG2 THR 62 lone 1 97 - 1 - HA2 GLY 2 - QG2 THR 62 lone 1 97 - 1 - Peak 3497 from cnoeabs.peaks (1.11, 1.11, 22.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 62 + QG2 THR 62 OK 100 100 - 100 Peak 3498 from cnoeabs.peaks (8.44, 4.14, 58.43 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 63 + HA ILE 63 OK 100 100 - 100 - 3.0=100 H GLU 82 + HA ILE 63 OK 55 98 - 56 - 3512/3.2=10, 5.2/7136=10...(13) H GLN 16 - HA ILE 63 OK 23 96 - 24 - 3512/3.2=3, 3505/3.0=3...(10) H LEU 51 - HA ILE 63 OK 17 92 - 18 - 3533/4.2=3, 3512/3.2=3...(7) Peak 3499 from cnoeabs.peaks (4.14, 4.14, 58.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 63 + HA ILE 63 OK 100 100 - 100 Peak 3500 from cnoeabs.peaks (2.06, 4.14, 58.43 ppm; 3.91 A): 4 out of 16 assignments used, quality = 1.00: * HB ILE 63 + HA ILE 63 OK 100 100 - 100 - 3.0=100 HB2 ARG 57 + HA ILE 63 OK 55 99 - 56 - 1.8/3503=5, 3514/3.2=5...(32) HG2 GLU 64 + HA ILE 63 OK 55 99 - 56 - 5.0/5663=20, 3.0/8684=6...(19) HB3 ARG 81 + HA ILE 63 OK 49 96 - 51 - 4.3/3498=6, 1.8/8684=5...(26) HB2 GLU 56 - HA ILE 63 OK 35 73 - 48 - ~7026=6, ~7025=5...(22) HB3 GLU 38 - HA ILE 63 OK 28 100 - 28 - 1.8/8684=2, ~6709=2...(15) HG3 PRO 37 - HA ILE 63 OK 23 93 - 25 - 1.8/2685=3, 2.3/2650=2...(9) HG3 PRO 60 - HA ILE 63 OK 23 87 - 26 - ~7134=3, 2.3/3503=2...(12) HB2 GLN 16 - HA ILE 63 OK 20 92 - 21 - 4.0/3498=3, 1942/3.0=2...(10) HB3 GLN 16 - HA ILE 63 OK 19 90 - 21 - 4.0/3498=3, 1942/3.0=2...(10) HG3 PRO 70 - HA ILE 63 OK 14 76 - 18 - ~7141=2, 2.3/7135=1...(9) HB2 GLU 15 - HA ILE 63 OK 13 76 - 17 - 5445/3.0=3, 4.6/3498=2...(7) HB2 GLN 105 - HA ILE 63 OK 10 95 - 10 - 4773/3.7=1 HG LEU 21 - HA ILE 63 poor 10 85 - 11 - 6406/4.2=1 HG3 GLU 69 - HA ILE 63 poor 7 65 - 11 - HB2 LEU 114 - HA ILE 63 lone 7 87 - 7 - Peak 3501 from cnoeabs.peaks (0.76, 4.14, 58.43 ppm; 3.47 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 63 + HA ILE 63 OK 100 100 - 100 - 3.2=100 HG LEU 111 - HA ILE 63 OK 31 97 - 32 - 2.1/7903=4, 1069/3.0=3...(12) QG2 VAL 66 - HA ILE 63 OK 25 96 - 27 - 3536/4.2=3, 3529/3.7=3...(10) QD1 LEU 84 - HA ILE 63 OK 21 95 - 23 - 7488=3, 1069/3.0=3...(11) QD2 LEU 111 - HA ILE 63 OK 16 63 - 26 - 2.1/7903=4, 3.1/6200=3...(13) QD2 LEU 93 - HA ILE 63 OK 14 99 - 14 - 1069/3.0=2, 3536/4.2=2...(6) QD1 LEU 91 - HA ILE 63 poor 10 89 - 11 - 1069/3.0=1, 3536/4.2=1...(5) Peak 3502 from cnoeabs.peaks (1.60, 4.14, 58.43 ppm; 4.52 A): 1 out of 17 assignments used, quality = 1.00: * HG12 ILE 63 + HA ILE 63 OK 100 100 - 100 - 3.7=100 HG2 ARG 57 - HA ILE 63 OK 43 78 - 56 - 3.0/3503=5, 3516/3.2=5...(24) HG2 ARG 81 - HA ILE 63 OK 43 78 - 56 - 2.9/8684=5, 1070/3.0=4...(25) HG3 ARG 81 - HA ILE 63 OK 43 78 - 56 - 2.9/8684=5, 1070/3.0=4...(25) HG2 ARG 53 - HA ILE 63 OK 42 99 - 43 - 3150/3.7=6, 3516/3.2=6...(13) HD3 LYS 119 - HA ILE 63 lone 10 100 - 10 - 3516/3.2=1 HD2 LYS 119 - HA ILE 63 lone 10 99 - 10 - 3516/3.2=1 HG2 PRO 30 - HA ILE 63 lone 8 97 - 9 - HB3 LEU 126 - HA ILE 63 lone 8 100 - 8 - 1070/3.0=1 HB2 LEU 126 - HA ILE 63 lone 8 100 - 8 - 1070/3.0=1 HD2 LYS 32 - HA ILE 63 lone 7 99 - 7 - HD3 LYS 32 - HA ILE 63 lone 7 99 - 7 - HB2 LEU 59 - HA ILE 63 lone 7 78 - 8 - 1070/3.0=2, 7078/7109=2 HG LEU 126 - HA ILE 63 lone 6 99 - 6 - HG LEU 101 - HA ILE 63 lone 6 89 - 7 - 2.1/7717=1, 4.9/1729=1 HD3 LYS 31 - HA ILE 63 lone 6 85 - 6 - HD2 LYS 31 - HA ILE 63 lone 6 85 - 6 - Peak 3503 from cnoeabs.peaks (1.82, 4.14, 58.43 ppm; 4.65 A): 2 out of 13 assignments used, quality = 1.00: * HG13 ILE 63 + HA ILE 63 OK 100 100 - 100 - 3.7=100 HB3 ARG 57 + HA ILE 63 OK 64 99 - 65 - 3517/3.2=7, 7037/4.2=6...(29) HG3 ARG 53 - HA ILE 63 OK 42 99 - 43 - 3524/3.7=6, 3517/3.2=6...(12) HB3 GLU 56 - HA ILE 63 OK 39 63 - 61 - ~7026=8, ~7025=8...(24) HB2 PRO 60 - HA ILE 63 OK 30 89 - 33 - 1071/3.0=5, ~7134=5...(16) HG LEU 41 - HA ILE 63 OK 24 96 - 25 - 2.1/3504=4, 3538/4.2=3...(10) HB2 GLU 69 - HA ILE 63 OK 15 95 - 16 - 1.8/8684=1, 3517/3.2=1...(7) HB3 GLN 105 - HA ILE 63 OK 12 100 - 12 - 1071/3.0=1, 3517/3.2=1...(4) HG2 GLU 75 - HA ILE 63 lone 10 99 - 10 - 3.6/6096=2 HG12 ILE 22 - HA ILE 63 poor 9 65 - 14 - 3.2/3504=2, ~1072=1...(6) HG2 GLU 73 - HA ILE 63 lone 9 87 - 10 - HG3 GLU 73 - HA ILE 63 lone 8 85 - 10 - HB3 ARG 92 - HA ILE 63 lone 6 93 - 6 - 3517/3.2=1 Peak 3504 from cnoeabs.peaks (0.94, 4.14, 58.43 ppm; 3.29 A): 7 out of 10 assignments used, quality = 0.92: * QD1 ILE 63 + HA ILE 63 OK 78 100 - 78 - 4.2=49, 5668/3.6=17...(15) QG2 ILE 124 + HA ILE 63 OK 22 89 - 25 - 5349=5, 2.1/5342=3...(13) QD1 LEU 41 + HA ILE 63 OK 17 98 - 17 - 3518/3.2=3, 3532/3.7=2...(7) QD1 LEU 55 + HA ILE 63 OK 16 99 - 16 - 3518/3.2=3, 2.1/7017=2...(7) QD1 LEU 27 + HA ILE 63 OK 13 92 - 14 - 3518/3.2=2, 3532/3.7=2...(6) QD2 LEU 27 + HA ILE 63 OK 12 87 - 14 - 3518/3.2=2, 6524/3.7=2...(6) QG2 ILE 22 + HA ILE 63 OK 10 89 - 12 - 3518/3.2=2, 1072/3.0=2...(5) QG2 VAL 49 - HA ILE 63 lone 7 81 - 8 - ~6900=2, 3518/3.2=1 QG2 VAL 115 - HA ILE 63 lone 5 89 - 6 - HB2 GLN 42 - HA ILE 63 lone 3 73 - 4 - Peak 3505 from cnoeabs.peaks (8.44, 2.06, 36.26 ppm; 3.68 A): 2 out of 12 assignments used, quality = 0.96: * H ILE 63 + HB ILE 63 OK 91 100 - 91 - 4.0=80, 1069/2.1=17...(10) H GLU 82 + HB ILE 63 OK 50 98 - 51 - 3512/2.1=11, 3533/3.2=8...(13) H ILE 63 - HG2 GLU 64 OK 22 78 - 29 - 4.6/5664=6, 1068=4...(12) H GLN 16 - HB ILE 63 OK 21 96 - 22 - 3512/2.1=3, 3498/3.0=3...(7) H LEU 51 - HB ILE 63 OK 14 92 - 15 - 3533/3.2=3, 3512/2.1=3...(5) H GLU 82 - HG2 GLU 64 poor 9 74 - 13 - 292/5.0=4, 393=1...(4) H GLN 16 - HG2 GLU 64 lone 5 70 - 6 - 292/5.0=1, 33/1.8=1 H GLN 16 - HG3 GLU 69 poor 4 44 - 10 - 31/1.8=3, 3.6/1906=1...(4) H ILE 63 - HG3 GLU 69 lone 3 50 - 5 - H LEU 51 - HG2 GLU 64 lone 2 66 - 2 - H LEU 51 - HG3 GLU 69 lone 1 41 - 3 - 1612/5.0=2 H GLU 82 - HG3 GLU 69 lone 1 46 - 2 - Peak 3506 from cnoeabs.peaks (4.14, 2.06, 36.26 ppm; 4.15 A): 3 out of 36 assignments used, quality = 1.00: * HA ILE 63 + HB ILE 63 OK 100 100 - 100 - 3.0=100 HA ARG 57 + HB ILE 63 OK 52 73 - 71 - 3513/2.1=7, ~7124=6...(37) HA ILE 63 + HG2 GLU 64 OK 47 78 - 61 - 5663/5.0=22, 8684/3.0=6...(21) HA PHE 83 - HB ILE 63 OK 42 97 - 43 - 8355/3.2=9, ~7128=6...(13) HA ILE 124 - HB ILE 63 OK 31 100 - 31 - 3534/3.2=4, 3513/2.1=3...(16) HA PRO 37 - HB ILE 63 OK 28 100 - 28 - 2668=3, 3513/2.1=3...(17) HA ALA 98 - HB ILE 63 OK 13 100 - 12 - 3513/2.1=2, ~7661=1...(4) HB3 SER 78 - HB ILE 63 OK 11 97 - 11 - 3534/3.2=1, 3.0/7449=1 HA GLU 28 - HB ILE 63 poor 10 83 - 12 - 3513/2.1=1, 3534/3.2=1 HA3 GLY 25 - HB ILE 63 poor 9 73 - 12 - ~6484=2, ~6485=1...(4) HB2 SER 113 - HB ILE 63 lone 9 92 - 9 - 3513/2.1=2, 3534/3.2=1 HA ASN 108 - HB ILE 63 lone 7 100 - 7 - 3513/2.1=1 HA PRO 37 - HG2 GLU 64 lone 7 77 - 9 - 3.6/929=1, 293/5.0=1 HA ARG 57 - HG2 GLU 64 poor 6 50 - 12 - 3.6/265=2, 293/5.0=1 HA ILE 63 - HG3 GLU 69 poor 6 50 - 12 - 3503/3.0=1 HB3 SER 72 - HB ILE 63 lone 5 100 - 5 - HA ILE 124 - HG2 GLU 64 lone 5 78 - 6 - 293/5.0=1 HA GLU 28 - HG2 GLU 64 lone 4 58 - 7 - HB3 SER 78 - HG2 GLU 64 lone 4 72 - 5 - HA PHE 83 - HG2 GLU 64 lone 4 73 - 5 - 293/5.0=2 HB2 SER 113 - HG2 GLU 64 lone 3 66 - 4 - HA ALA 98 - HG2 GLU 64 lone 3 78 - 3 - HA ARG 57 - HG3 GLU 69 lone 2 30 - 7 - HA ASN 108 - HG2 GLU 64 lone 2 77 - 3 - HB3 SER 72 - HG2 GLU 64 lone 1 78 - 2 - HA ALA 98 - HG3 GLU 69 lone 1 50 - 2 - HA PHE 83 - HG3 GLU 69 lone 1 46 - 2 - HB2 SER 113 - HG3 GLU 69 lone 1 41 - 2 - HA3 GLY 25 - HG2 GLU 64 lone 1 50 - 1 - HA PRO 37 - HG3 GLU 69 lone 1 49 - 2 - HA ASN 108 - HG3 GLU 69 lone 1 49 - 1 - HA ILE 124 - HG3 GLU 69 lone 1 49 - 1 - HB3 SER 72 - HG3 GLU 69 lone 1 50 - 1 - HB3 SER 78 - HG3 GLU 69 lone 1 45 - 1 - HA GLU 28 - HG3 GLU 69 lone 0 35 - 1 - HA3 GLY 25 - HG3 GLU 69 lone 0 30 - 1 - Peak 3507 from cnoeabs.peaks (2.06, 2.06, 36.26 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB ILE 63 + HB ILE 63 OK 100 100 - 100 HG2 GLU 64 + HG2 GLU 64 OK 75 75 - 100 HG3 GLU 69 - HG3 GLU 69 OK 26 26 - 100 Peak 3508 from cnoeabs.peaks (0.76, 2.06, 36.26 ppm; 3.37 A): 1 out of 21 assignments used, quality = 1.00: * QG2 ILE 63 + HB ILE 63 OK 100 100 - 100 - 2.1=100 QG2 ILE 63 - HG2 GLU 64 OK 42 78 - 54 - 5665/5.0=13, 7145/3.9=10...(22) QG2 VAL 66 - HB ILE 63 OK 32 96 - 34 - 3536/3.2=4, ~7138=4...(15) HG LEU 111 - HB ILE 63 OK 30 97 - 31 - 3501/3.0=4, 3536/3.2=3...(10) QD1 LEU 84 - HB ILE 63 OK 18 95 - 19 - 3501/3.0=2, 3536/3.2=2...(9) QD2 LEU 111 - HB ILE 63 OK 17 63 - 27 - 2.1/7909=3, 3501/3.0=2...(12) QD2 LEU 93 - HB ILE 63 OK 14 99 - 14 - 3536/3.2=3, 3501/3.0=2...(6) QD1 LEU 91 - HB ILE 63 OK 11 89 - 12 - 3536/3.2=2, 3529/3.0=1...(5) HG LEU 111 - HG2 GLU 64 poor 8 73 - 11 - 295/5.0=1, 2.1/7909=1...(4) QG2 ILE 63 - HG3 GLU 69 poor 5 50 - 11 - 7139/3.0=1 QG2 VAL 66 - HG2 GLU 64 lone 5 70 - 7 - 295/5.0=1 QD2 LEU 111 - HG2 GLU 64 lone 4 42 - 9 - 2.1/7909=1 QD2 LEU 93 - HG2 GLU 64 lone 4 76 - 5 - QD1 LEU 84 - HG2 GLU 64 lone 3 69 - 4 - 7482/5.0=1 QD1 LEU 91 - HG2 GLU 64 lone 1 63 - 2 - QG2 VAL 66 - HG3 GLU 69 lone 1 44 - 3 - 7195/4.0=1 HG LEU 111 - HG3 GLU 69 lone 1 46 - 2 - QD2 LEU 111 - HG3 GLU 69 lone 1 25 - 2 - QD1 LEU 84 - HG3 GLU 69 lone 0 43 - 1 - QD2 LEU 93 - HG3 GLU 69 lone 0 48 - 1 - QD1 LEU 91 - HG3 GLU 69 lone 0 39 - 1 - Peak 3509 from cnoeabs.peaks (1.60, 2.06, 36.26 ppm; 3.92 A): 5 out of 51 assignments used, quality = 1.00: * HG12 ILE 63 + HB ILE 63 OK 100 100 - 100 - 3.0=100 HG2 ARG 53 + HB ILE 63 OK 57 99 - 58 - 3150/3.0=6, 3516/2.1=6...(28) HG2 ARG 57 + HB ILE 63 OK 50 78 - 64 - 1.8/3325=5, 3317=5...(38) HG3 ARG 81 + HB ILE 63 OK 47 78 - 60 - 2.9/4115=5, 3516/2.1=4...(37) HG2 ARG 81 + HB ILE 63 OK 47 78 - 60 - 2.9/4115=5, 3516/2.1=4...(37) HG12 ILE 63 - HG2 GLU 64 OK 30 78 - 39 - 3.2/3508=5, ~7157=4...(16) HG2 PRO 30 - HG3 GLU 69 OK 15 45 - 34 - 2382/1.8=5, ~3780=5...(15) HD3 LYS 119 - HB ILE 63 lone 10 100 - 9 - 3516/2.1=1 HD2 LYS 119 - HB ILE 63 lone 9 99 - 9 - 3516/2.1=1 HB3 LEU 126 - HB ILE 63 lone 9 100 - 9 - HB2 LEU 126 - HB ILE 63 lone 9 100 - 9 - HG2 PRO 30 - HB ILE 63 lone 8 97 - 8 - HD3 LYS 32 - HB ILE 63 lone 7 99 - 7 - HD2 LYS 32 - HB ILE 63 lone 7 99 - 7 - HG LEU 126 - HB ILE 63 lone 6 99 - 6 - HD3 LYS 31 - HB ILE 63 lone 6 85 - 7 - HD2 LYS 31 - HB ILE 63 lone 6 85 - 7 - HG12 ILE 63 - HG3 GLU 69 poor 6 50 - 12 - ~3779=2, 3524/3.0=1, ~3773=1 HB2 LEU 59 - HB ILE 63 lone 6 78 - 8 - 1070/4.0=1 HG LEU 101 - HB ILE 63 lone 4 89 - 5 - HG2 ARG 57 - HG2 GLU 64 lone 4 54 - 6 - HG3 ARG 81 - HG2 GLU 64 lone 3 54 - 6 - HG2 ARG 81 - HG2 GLU 64 lone 3 54 - 6 - HG LEU 101 - HG3 GLU 69 lone 3 39 - 8 - ~8444=1 HG2 PRO 30 - HG2 GLU 64 lone 3 72 - 4 - HG2 ARG 57 - HG3 GLU 69 lone 2 33 - 6 - HG2 ARG 53 - HG3 GLU 69 lone 2 47 - 4 - HG2 ARG 53 - HG2 GLU 64 lone 2 75 - 2 - HD3 LYS 119 - HG2 GLU 64 lone 1 77 - 2 - HD2 LYS 119 - HG2 GLU 64 lone 1 76 - 2 - HG LEU 101 - HG2 GLU 64 lone 1 63 - 2 - HG LEU 126 - HG2 GLU 64 lone 1 75 - 1 - HB3 LEU 126 - HG2 GLU 64 lone 1 78 - 1 - HB2 LEU 126 - HG2 GLU 64 lone 1 78 - 1 - HD3 LYS 119 - HG3 GLU 69 lone 1 49 - 2 - HD2 LYS 119 - HG3 GLU 69 lone 1 48 - 2 - HD2 LYS 32 - HG2 GLU 64 lone 1 75 - 1 - HD3 LYS 32 - HG2 GLU 64 lone 1 75 - 1 - HB2 LEU 59 - HG2 GLU 64 lone 1 54 - 1 - HD2 LYS 31 - HG2 GLU 64 lone 1 60 - 1 - HD3 LYS 31 - HG2 GLU 64 lone 1 60 - 1 - HD3 LYS 32 - HG3 GLU 69 lone 1 47 - 1 - HD2 LYS 32 - HG3 GLU 69 lone 1 47 - 1 - HG LEU 126 - HG3 GLU 69 lone 0 48 - 1 - HB2 LEU 126 - HG3 GLU 69 lone 0 50 - 1 - HB3 LEU 126 - HG3 GLU 69 lone 0 50 - 1 - HG2 ARG 81 - HG3 GLU 69 lone 0 33 - 1 - HG3 ARG 81 - HG3 GLU 69 lone 0 33 - 1 - HD2 LYS 31 - HG3 GLU 69 lone 0 36 - 1 - HD3 LYS 31 - HG3 GLU 69 lone 0 36 - 1 - HB2 LEU 59 - HG3 GLU 69 lone 0 33 - 1 - Peak 3510 from cnoeabs.peaks (1.82, 2.06, 36.26 ppm; 3.61 A): 3 out of 39 assignments used, quality = 1.00: * HG13 ILE 63 + HB ILE 63 OK 100 100 - 100 - 3.0=100 HB3 ARG 57 + HB ILE 63 OK 64 99 - 65 - 3517/2.1=6, 3309=6...(43) HG3 ARG 53 + HB ILE 63 OK 51 99 - 52 - 3517/2.1=5, 3524/3.0=5...(28) HB2 GLU 69 - HG3 GLU 69 OK 43 43 - 100 - 3.0=100 HB3 GLU 56 - HB ILE 63 OK 34 63 - 54 - ~7026=6, ~7025=6...(35) HB2 PRO 60 - HB ILE 63 OK 30 89 - 33 - 1071/4.0=3, 3517/2.1=3...(16) HG13 ILE 63 - HG2 GLU 64 OK 26 78 - 34 - 3.2/3508=4, 2.1/3535=4...(16) HG LEU 41 - HB ILE 63 OK 24 96 - 25 - 2.1/3511=2, 3517/2.1=2...(14) HB3 GLN 105 - HG3 GLU 69 OK 15 50 - 30 - 3779/1.8=5, 3773/3.0=3...(15) HB2 GLU 69 - HB ILE 63 OK 14 95 - 15 - 3517/2.1=1, ~7139=1 HB3 GLN 105 - HB ILE 63 OK 12 100 - 12 - HG12 ILE 22 - HB ILE 63 poor 9 65 - 13 - 3.2/3511=1 HB2 GLU 69 - HG2 GLU 64 poor 7 69 - 10 - 3768/3.0=1, 3768/3.0=1 HB3 ARG 57 - HG2 GLU 64 lone 6 75 - 9 - 4.2/265=1 HB3 ARG 92 - HB ILE 63 lone 6 93 - 7 - 3517/2.1=1 HG2 GLU 75 - HB ILE 63 lone 6 99 - 6 - HG13 ILE 63 - HG3 GLU 69 poor 6 50 - 12 - 3779/1.8=2, 3773/3.0=2 HG2 GLU 73 - HB ILE 63 lone 5 87 - 6 - HG3 GLU 73 - HB ILE 63 lone 5 85 - 6 - HB3 ARG 57 - HG3 GLU 69 lone 4 47 - 8 - 3779/1.8=1 HG2 GLU 75 - HG3 GLU 69 lone 3 48 - 7 - 3779/1.8=1 HG LEU 41 - HG3 GLU 69 lone 3 44 - 7 - 3779/1.8=1, 3773/3.0=1 HG3 ARG 53 - HG3 GLU 69 lone 2 48 - 4 - HB3 GLN 105 - HG2 GLU 64 lone 2 78 - 2 - HG12 ILE 22 - HG3 GLU 69 lone 2 26 - 7 - 3779/1.8=1 HG LEU 41 - HG2 GLU 64 lone 1 70 - 2 - HG2 GLU 75 - HG2 GLU 64 lone 1 75 - 2 - HG3 ARG 53 - HG2 GLU 64 lone 1 75 - 2 - HB3 GLU 56 - HG2 GLU 64 lone 1 42 - 3 - HB2 PRO 60 - HG2 GLU 64 lone 1 63 - 2 - HG2 GLU 73 - HG3 GLU 69 lone 1 38 - 3 - HG3 GLU 73 - HG3 GLU 69 lone 1 36 - 3 - HG12 ILE 22 - HG2 GLU 64 lone 1 44 - 2 - HG2 GLU 73 - HG2 GLU 64 lone 1 61 - 1 - HB3 ARG 92 - HG3 GLU 69 lone 1 42 - 2 - HG3 GLU 73 - HG2 GLU 64 lone 1 60 - 1 - HB3 ARG 92 - HG2 GLU 64 lone 1 68 - 1 - HB2 PRO 60 - HG3 GLU 69 lone 0 39 - 1 - HB3 GLU 56 - HG3 GLU 69 lone 0 25 - 1 - Peak 3511 from cnoeabs.peaks (0.94, 2.06, 36.26 ppm; 3.96 A): 1 out of 30 assignments used, quality = 1.00: * QD1 ILE 63 + HB ILE 63 OK 100 100 - 100 - 3.2=100 QD1 ILE 63 - HG2 GLU 64 OK 42 78 - 54 - 5668/5.0=18, 7157/3.0=5...(18) QD1 LEU 55 - HB ILE 63 OK 33 99 - 33 - 3518/2.1=5, 3525/3.0=4...(14) QD1 LEU 41 - HB ILE 63 OK 32 98 - 33 - 3518/2.1=4, 3532/3.0=4...(15) QG2 ILE 124 - HB ILE 63 OK 27 89 - 31 - 3504/3.0=4, 3518/2.1=4...(14) QD1 LEU 27 - HB ILE 63 OK 26 92 - 28 - 3518/2.1=3, 3532/3.0=3...(14) QD2 LEU 27 - HB ILE 63 OK 24 87 - 28 - 6524/3.0=3, 3518/2.1=3...(13) QG2 ILE 22 - HB ILE 63 OK 21 89 - 24 - 3518/2.1=3, 3532/3.0=2...(8) QG2 VAL 49 - HB ILE 63 OK 16 81 - 19 - ~6900=4, 3518/2.1=2...(9) QG2 VAL 115 - HB ILE 63 poor 10 89 - 11 - 3518/2.1=1, 3504/3.0=1 QD1 ILE 63 - HG3 GLU 69 poor 7 50 - 14 - ~3779=2, 3538/3.0=1 QG2 VAL 115 - HG3 GLU 69 poor 6 39 - 14 - 5115/1.8=2, ~7250=2...(8) HB2 GLN 42 - HB ILE 63 lone 5 73 - 7 - QD2 LEU 27 - HG2 GLU 64 lone 4 61 - 6 - 298/5.0=1 QD1 LEU 27 - HG2 GLU 64 lone 4 66 - 6 - 298/5.0=1 QD1 LEU 41 - HG2 GLU 64 lone 4 74 - 5 - 298/5.0=1 QD1 LEU 55 - HG2 GLU 64 lone 4 76 - 5 - 298/5.0=1 QG2 ILE 124 - HG2 GLU 64 lone 3 63 - 5 - 298/5.0=1 QD1 LEU 41 - HG3 GLU 69 lone 3 46 - 7 - 7240/5.0=1, 2816/3.0=1 QG2 ILE 22 - HG2 GLU 64 lone 3 63 - 5 - QG2 ILE 22 - HG3 GLU 69 lone 3 39 - 8 - 4.0/69=1, 2158/3.0=1, 7240/5.0=1 QD2 LEU 27 - HG3 GLU 69 lone 3 38 - 8 - 6524/3.0=2, 7240/5.0=1 QD1 LEU 27 - HG3 GLU 69 lone 3 41 - 6 - ~6524=1 QG2 VAL 49 - HG3 GLU 69 lone 2 34 - 7 - 7240/5.0=3, ~6903=1 QG2 VAL 115 - HG2 GLU 64 lone 2 63 - 3 - QD1 LEU 55 - HG3 GLU 69 lone 2 48 - 3 - 7240/5.0=2 QG2 VAL 49 - HG2 GLU 64 lone 1 56 - 2 - HB2 GLN 42 - HG2 GLU 64 lone 1 50 - 2 - HB2 GLN 42 - HG3 GLU 69 lone 1 30 - 2 - QG2 ILE 124 - HG3 GLU 69 lone 0 39 - 1 - Peak 3512 from cnoeabs.peaks (8.44, 0.76, 17.61 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.98: * H ILE 63 + QG2 ILE 63 OK 95 100 - 95 - 4.0=87, 4.6/5665=19...(12) H GLU 82 + QG2 ILE 63 OK 69 98 - 70 - 5.2/7143=12, 5.2/8649=12...(17) H GLN 16 - QG2 ILE 63 OK 22 96 - 23 - 3505/2.1=3, 3498/3.2=3...(6) H LEU 51 - QG2 ILE 63 OK 20 92 - 22 - 4.6/6944=6, 3533/3.2=4...(7) Peak 3513 from cnoeabs.peaks (4.14, 0.76, 17.61 ppm; 3.38 A): 1 out of 12 assignments used, quality = 1.00: * HA ILE 63 + QG2 ILE 63 OK 100 100 - 100 - 3.2=100 HA ARG 57 - QG2 ILE 63 OK 40 73 - 54 - 3.0/7124=6, 7662=4...(29) HA PHE 83 - QG2 ILE 63 OK 33 97 - 34 - 8355/3.2=6, 3.0/7466=5...(13) HA ILE 124 - QG2 ILE 63 OK 21 100 - 21 - 3534/3.2=3, 3.2/3518=2...(7) HA PRO 37 - QG2 ILE 63 OK 17 100 - 17 - 3534/3.2=2, 2.3/7140=2...(5) HA ALA 98 - QG2 ILE 63 OK 12 100 - 11 - 7662=2, 3.0/7661=1, 2.1/7666=1 HB2 SER 113 - QG2 ILE 63 lone 9 92 - 10 - 4.7/7123=2, 4.0/7124=1 HB3 SER 78 - QG2 ILE 63 lone 8 97 - 8 - 3534/3.2=1 HA GLU 28 - QG2 ILE 63 lone 7 83 - 9 - HA ASN 108 - QG2 ILE 63 lone 6 100 - 6 - HA3 GLY 25 - QG2 ILE 63 lone 6 73 - 8 - HB3 SER 72 - QG2 ILE 63 lone 3 100 - 3 - Peak 3514 from cnoeabs.peaks (2.06, 0.76, 17.61 ppm; 3.13 A): 3 out of 16 assignments used, quality = 1.00: * HB ILE 63 + QG2 ILE 63 OK 100 100 - 100 - 2.1=100 HB2 ARG 57 + QG2 ILE 63 OK 52 99 - 53 - 1.8/3517=5, 3.7/7124=4...(28) HG2 GLU 64 + QG2 ILE 63 OK 47 99 - 48 - 5.0/5665=10, 3.9/7145=8...(20) HB3 ARG 81 - QG2 ILE 63 OK 42 96 - 44 - 3.0/7433=5, 4.3/3512=4...(19) HB2 GLU 56 - QG2 ILE 63 OK 33 73 - 44 - 3.0/7026=7, 3.0/7025=6...(22) HB3 GLU 38 - QG2 ILE 63 OK 22 100 - 22 - 3.0/6709=3, 1.8/7139=2...(7) HG3 PRO 60 - QG2 ILE 63 OK 18 87 - 21 - 2.3/7141=2, 2.3/3517=2...(6) HG3 PRO 37 - QG2 ILE 63 OK 15 93 - 16 - 2.3/7140=1, 3.8/3513=1 HG3 PRO 70 - QG2 ILE 63 OK 13 76 - 18 - 1.8/7141=2, 2.3/7140=1 HB2 GLN 16 - QG2 ILE 63 lone 9 92 - 9 - 4.0/3512=2 HB3 GLN 16 - QG2 ILE 63 lone 8 90 - 9 - 4.0/3512=2 HG LEU 21 - QG2 ILE 63 lone 8 85 - 9 - HB2 GLN 105 - QG2 ILE 63 lone 7 95 - 8 - HG3 GLU 69 - QG2 ILE 63 lone 6 65 - 9 - HB2 LEU 114 - QG2 ILE 63 lone 6 87 - 7 - 4.0/7123=2 HB2 GLU 15 - QG2 ILE 63 lone 6 76 - 8 - 5445/4.0=1, 4.6/3512=1 Peak 3515 from cnoeabs.peaks (0.76, 0.76, 17.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 63 + QG2 ILE 63 OK 100 100 - 100 Peak 3516 from cnoeabs.peaks (1.60, 0.76, 17.61 ppm; 3.68 A): 3 out of 17 assignments used, quality = 1.00: * HG12 ILE 63 + QG2 ILE 63 OK 100 100 - 100 - 3.2=100 HG2 ARG 53 + QG2 ILE 63 OK 56 99 - 57 - 3.0/7138=8, 1.8/3517=6...(28) HG2 ARG 57 + QG2 ILE 63 OK 46 78 - 59 - 2.9/7144=5, 3.0/3517=5...(38) HG2 ARG 81 - QG2 ILE 63 OK 43 78 - 55 - 4.0/7433=5, 1.8/7440=4...(28) HG3 ARG 81 - QG2 ILE 63 OK 43 78 - 55 - 4.0/7433=5, 1.8/7440=4...(28) HD3 LYS 119 - QG2 ILE 63 OK 11 100 - 11 - HD2 LYS 119 - QG2 ILE 63 OK 11 99 - 11 - HG2 PRO 30 - QG2 ILE 63 lone 9 97 - 9 - HB3 LEU 126 - QG2 ILE 63 lone 8 100 - 8 - HB2 LEU 126 - QG2 ILE 63 lone 8 100 - 8 - HD2 LYS 32 - QG2 ILE 63 lone 8 99 - 8 - 3.0/7143=1 HD3 LYS 32 - QG2 ILE 63 lone 8 99 - 8 - 3.0/7143=1 HD2 LYS 31 - QG2 ILE 63 lone 7 85 - 8 - 3.0/7143=1, 3.0/7143=1 HD3 LYS 31 - QG2 ILE 63 lone 7 85 - 8 - 3.0/7143=1, 3.0/7143=1 HG LEU 126 - QG2 ILE 63 lone 6 99 - 6 - HG LEU 101 - QG2 ILE 63 lone 4 89 - 5 - HB2 LEU 59 - QG2 ILE 63 lone 4 78 - 5 - 1070/4.0=1 Peak 3517 from cnoeabs.peaks (1.82, 0.76, 17.61 ppm; 3.52 A): 3 out of 13 assignments used, quality = 1.00: * HG13 ILE 63 + QG2 ILE 63 OK 100 100 - 100 - 3.2=100 HB3 ARG 57 + QG2 ILE 63 OK 60 99 - 62 - 3.7/7124=6, 1.8/3514=5...(37) HG3 ARG 53 + QG2 ILE 63 OK 52 99 - 53 - 3.0/7138=8, 1.8/3516=5...(27) HB3 GLU 56 - QG2 ILE 63 OK 34 63 - 54 - 3.0/7026=9, 3.0/7025=8...(27) HB2 PRO 60 - QG2 ILE 63 OK 25 89 - 28 - 1.8/7141=3, 1071/4.0=2...(10) HG LEU 41 - QG2 ILE 63 OK 24 96 - 25 - 2.1/3518=4, 3538/3.2=2...(14) HB2 GLU 69 - QG2 ILE 63 OK 12 95 - 13 - 1.8/7139=1 HB3 ARG 92 - QG2 ILE 63 OK 10 93 - 11 - 3.6/7123=3, 4.2/1235=2 HB3 GLN 105 - QG2 ILE 63 lone 9 100 - 9 - HG12 ILE 22 - QG2 ILE 63 poor 8 65 - 13 - 3.2/3518=2 HG2 GLU 75 - QG2 ILE 63 lone 6 99 - 6 - HG2 GLU 73 - QG2 ILE 63 lone 5 87 - 6 - HG3 GLU 73 - QG2 ILE 63 lone 5 85 - 6 - Peak 3518 from cnoeabs.peaks (0.94, 0.76, 17.61 ppm; 2.93 A): 7 out of 10 assignments used, quality = 0.95: * QD1 ILE 63 + QG2 ILE 63 OK 85 100 - 85 - 3.2=74, 5668/4.3=11...(8) QD1 LEU 55 + QG2 ILE 63 OK 21 99 - 21 - 4.8/7030=3, 3.1/7138=2...(8) QD1 LEU 41 + QG2 ILE 63 OK 19 98 - 19 - 3532/3.2=2, 3504/3.2=2...(6) QG2 ILE 124 + QG2 ILE 63 OK 15 89 - 17 - 3504/3.2=2, 3.2/3513=1...(6) QD1 LEU 27 + QG2 ILE 63 OK 15 92 - 16 - 3532/3.2=2, 3504/3.2=1...(4) QD2 LEU 27 + QG2 ILE 63 OK 14 87 - 16 - 6524/3.2=2, 3504/3.2=1...(4) QG2 ILE 22 + QG2 ILE 63 OK 12 89 - 13 - 3532/3.2=1, 3525/3.2=1...(4) QG2 VAL 49 - QG2 ILE 63 poor 10 81 - 12 - 3.2/6900=3 QG2 VAL 115 - QG2 ILE 63 lone 6 89 - 7 - HB2 GLN 42 - QG2 ILE 63 lone 3 73 - 5 - Peak 3519 from cnoeabs.peaks (8.44, 1.60, 25.84 ppm; 4.17 A): 4 out of 4 assignments used, quality = 0.94: * H ILE 63 + HG12 ILE 63 OK 83 100 - 83 - 5.2=50, 3533/2.1=16...(10) H GLU 82 + HG12 ILE 63 OK 50 98 - 51 - 3533/2.1=13, 3512/3.2=11...(10) H GLN 16 + HG12 ILE 63 OK 20 96 - 21 - 3533/2.1=4, 3526/1.8=4...(5) H LEU 51 + HG12 ILE 63 OK 18 92 - 19 - 3533/2.1=5, 3526/1.8=3...(6) Peak 3520 from cnoeabs.peaks (4.14, 1.60, 25.84 ppm; 5.05 A): 3 out of 12 assignments used, quality = 1.00: * HA ILE 63 + HG12 ILE 63 OK 100 100 - 100 - 3.7=100 HA ARG 57 + HG12 ILE 63 OK 59 73 - 81 - 3.0/7133=13, ~7129=10...(31) HA PHE 83 + HG12 ILE 63 OK 52 97 - 54 - 8355/2.1=12, ~7128=12...(10) HA ILE 124 - HG12 ILE 63 OK 33 100 - 33 - 3534/2.1=5, 3527/1.8=4...(13) HA PRO 37 - HG12 ILE 63 OK 22 100 - 22 - 3534/2.1=3, 3513/3.2=3...(8) HA3 GLY 25 - HG12 ILE 63 OK 14 73 - 18 - 1.8/6484=3, ~6485=3...(7) HA ALA 98 - HG12 ILE 63 OK 12 100 - 12 - 3513/3.2=2, 3527/1.8=2...(6) HA GLU 28 - HG12 ILE 63 poor 10 83 - 12 - 3534/2.1=1, 3513/3.2=1...(6) HB3 SER 78 - HG12 ILE 63 lone 9 97 - 9 - 3534/2.1=2, 3513/3.2=1...(5) HB2 SER 113 - HG12 ILE 63 lone 7 92 - 8 - 3513/3.2=2, 3534/2.1=1 HA ASN 108 - HG12 ILE 63 lone 6 100 - 6 - 3513/3.2=1 HB3 SER 72 - HG12 ILE 63 lone 5 100 - 5 - Peak 3521 from cnoeabs.peaks (2.06, 1.60, 25.84 ppm; 4.07 A): 4 out of 16 assignments used, quality = 1.00: * HB ILE 63 + HG12 ILE 63 OK 100 100 - 100 - 3.0=100 HB2 ARG 57 + HG12 ILE 63 OK 72 99 - 73 - 1.8/3524=7, 3.7/7133=7...(42) HB3 ARG 81 + HG12 ILE 63 OK 55 96 - 57 - 4.3/3519=6, 3535/2.1=5...(30) HB2 GLU 56 + HG12 ILE 63 OK 48 73 - 65 - 3.7/7133=10, ~7026=6...(29) HG2 GLU 64 - HG12 ILE 63 OK 40 99 - 41 - 3508/3.2=5, ~7157=4...(18) HG3 PRO 60 - HG12 ILE 63 OK 29 87 - 33 - ~8309=4, 2.3/3524=3...(19) HB3 GLU 38 - HG12 ILE 63 OK 26 100 - 26 - ~6715=3, 3535/2.1=2...(14) HG3 PRO 70 - HG12 ILE 63 OK 21 76 - 27 - ~7148=2, ~7262=2...(16) HG3 PRO 37 - HG12 ILE 63 OK 14 93 - 15 - 3514/3.2=1, ~7140=1...(6) HB2 GLN 16 - HG12 ILE 63 OK 12 92 - 13 - 4.0/3519=3, 1942/5.2=1...(5) HB3 GLN 16 - HG12 ILE 63 OK 12 90 - 13 - 4.0/3519=3, 1942/5.2=1...(4) HG LEU 21 - HG12 ILE 63 OK 12 85 - 14 - 6406/2.1=2, ~6404=1 HB2 GLN 105 - HG12 ILE 63 OK 12 95 - 12 - 4773/1.8=2, 1.8/3524=1, ~4765=1 HG3 GLU 69 - HG12 ILE 63 poor 9 65 - 13 - ~3779=2, ~3773=1, 3.0/3524=1 HB2 GLU 15 - HG12 ILE 63 lone 8 76 - 10 - 4.6/3519=2, 5445/5.2=2 HB2 LEU 114 - HG12 ILE 63 lone 5 87 - 6 - Peak 3522 from cnoeabs.peaks (0.76, 1.60, 25.84 ppm; 4.26 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 63 + HG12 ILE 63 OK 100 100 - 100 - 3.2=100 QG2 VAL 66 - HG12 ILE 63 OK 44 96 - 46 - 3536/2.1=7, 3529/1.8=7...(15) HG LEU 111 - HG12 ILE 63 OK 34 97 - 35 - 3536/2.1=6, 3529/1.8=5...(14) QD1 LEU 84 - HG12 ILE 63 OK 24 95 - 26 - 8517=5, 3536/2.1=3...(10) QD2 LEU 111 - HG12 ILE 63 OK 19 63 - 30 - ~3536=4, ~3529=4...(12) QD2 LEU 93 - HG12 ILE 63 OK 19 99 - 19 - 3536/2.1=4, 3529/1.8=3...(5) QD1 LEU 91 - HG12 ILE 63 OK 15 89 - 17 - 3536/2.1=3, 3529/1.8=2...(7) Peak 3523 from cnoeabs.peaks (1.60, 1.60, 25.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 63 + HG12 ILE 63 OK 100 100 - 100 Peak 3524 from cnoeabs.peaks (1.82, 1.60, 25.84 ppm; 3.58 A): 3 out of 13 assignments used, quality = 1.00: * HG13 ILE 63 + HG12 ILE 63 OK 100 100 - 100 - 1.8=100 HG3 ARG 53 + HG12 ILE 63 OK 61 99 - 62 - 3157=7, 3538/2.1=6...(28) HB3 ARG 57 + HG12 ILE 63 OK 61 99 - 62 - 3538/2.1=6, 3.7/7133=5...(40) HB3 GLU 56 - HG12 ILE 63 OK 34 63 - 55 - 3.7/7133=8, ~7026=4...(30) HG LEU 41 - HG12 ILE 63 OK 26 96 - 27 - 2.1/3525=3, 3538/2.1=3...(14) HB2 PRO 60 - HG12 ILE 63 OK 26 89 - 29 - 3538/2.1=3, ~8309=2...(13) HB2 GLU 69 - HG12 ILE 63 OK 12 95 - 13 - ~3773=1, 3538/2.1=1 HB3 GLN 105 - HG12 ILE 63 lone 10 100 - 9 - ~4773=1 HG12 ILE 22 - HG12 ILE 63 poor 9 65 - 14 - 3.2/3525=2, 3538/2.1=1...(4) HB3 ARG 92 - HG12 ILE 63 lone 8 93 - 9 - 3538/2.1=1 HG2 GLU 75 - HG12 ILE 63 lone 5 99 - 5 - HG2 GLU 73 - HG12 ILE 63 lone 5 87 - 5 - HG3 GLU 73 - HG12 ILE 63 lone 5 85 - 5 - Peak 3525 from cnoeabs.peaks (0.94, 1.60, 25.84 ppm; 3.92 A): 1 out of 10 assignments used, quality = 1.00: * QD1 ILE 63 + HG12 ILE 63 OK 100 100 - 100 - 2.1=100 QD1 LEU 55 - HG12 ILE 63 OK 35 99 - 35 - 4.8/7133=8, 3532/1.8=5...(13) QD1 LEU 41 - HG12 ILE 63 OK 32 98 - 33 - 3532/1.8=5, 3518/3.2=3...(15) QD1 LEU 27 - HG12 ILE 63 OK 25 92 - 27 - 3532/1.8=4, ~6524=3...(12) QG2 ILE 124 - HG12 ILE 63 OK 24 89 - 27 - 3504/3.7=3, 3532/1.8=3...(11) QD2 LEU 27 - HG12 ILE 63 OK 23 87 - 26 - 6524/1.8=4, 3518/3.2=3...(12) QG2 ILE 22 - HG12 ILE 63 OK 21 89 - 23 - 3532/1.8=3, 3518/3.2=2...(9) QG2 VAL 49 - HG12 ILE 63 OK 15 81 - 19 - 2.1/6904=3, ~6903=3...(9) QG2 VAL 115 - HG12 ILE 63 lone 9 89 - 10 - 2.1/7966=1, 3532/1.8=1 HB2 GLN 42 - HG12 ILE 63 lone 4 73 - 6 - Peak 3526 from cnoeabs.peaks (8.44, 1.82, 25.84 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.96: * H ILE 63 + HG13 ILE 63 OK 91 100 - 91 - 5.2=68, 3519/1.8=21...(9) H GLU 82 + HG13 ILE 63 OK 55 98 - 56 - 3533/2.1=15, 3519/1.8=13...(8) H GLN 16 - HG13 ILE 63 OK 25 96 - 26 - 3519/1.8=5, 3533/2.1=5...(5) H LEU 51 - HG13 ILE 63 OK 19 92 - 21 - 3533/2.1=6, 3519/1.8=5...(6) Peak 3527 from cnoeabs.peaks (4.14, 1.82, 25.84 ppm; 4.79 A): 3 out of 12 assignments used, quality = 1.00: * HA ILE 63 + HG13 ILE 63 OK 100 100 - 100 - 3.7=100 HA ARG 57 + HG13 ILE 63 OK 58 73 - 80 - 3.0/7132=11, ~7129=9...(31) HA PHE 83 + HG13 ILE 63 OK 49 97 - 51 - 8355/2.1=12, ~7128=11...(10) HA ILE 124 - HG13 ILE 63 OK 32 100 - 32 - 3534/2.1=5, 3520/1.8=4...(13) HA PRO 37 - HG13 ILE 63 OK 22 100 - 22 - 3534/2.1=3, 3513/3.2=3...(7) HA3 GLY 25 - HG13 ILE 63 OK 12 73 - 17 - ~6484=3, ~6485=2...(7) HA ALA 98 - HG13 ILE 63 OK 12 100 - 12 - 3513/3.2=2, 3534/2.1=1...(6) HB3 SER 78 - HG13 ILE 63 poor 10 97 - 10 - 3534/2.1=2, 7362/4697=1...(4) HA GLU 28 - HG13 ILE 63 poor 9 83 - 11 - 3534/2.1=1, 3513/3.2=1 HB2 SER 113 - HG13 ILE 63 lone 8 92 - 8 - 3513/3.2=2, 3534/2.1=1 HA ASN 108 - HG13 ILE 63 lone 6 100 - 6 - 3513/3.2=1 HB3 SER 72 - HG13 ILE 63 lone 5 100 - 5 - Peak 3528 from cnoeabs.peaks (2.06, 1.82, 25.84 ppm; 3.95 A): 4 out of 16 assignments used, quality = 1.00: * HB ILE 63 + HG13 ILE 63 OK 100 100 - 100 - 3.0=100 HB2 ARG 57 + HG13 ILE 63 OK 71 99 - 73 - 3.7/7132=7, 3302=6...(41) HB3 ARG 81 + HG13 ILE 63 OK 55 96 - 58 - 4.3/3526=5, 3535/2.1=4...(34) HB2 GLU 56 + HG13 ILE 63 OK 45 73 - 61 - 3.7/7132=10, ~7026=6...(29) HG2 GLU 64 - HG13 ILE 63 OK 38 99 - 39 - 3508/3.2=5, ~7157=4...(16) HG3 PRO 60 - HG13 ILE 63 OK 30 87 - 34 - ~8309=3, ~7148=2...(19) HB3 GLU 38 - HG13 ILE 63 OK 26 100 - 26 - ~6715=2, 3535/2.1=2...(12) HG3 PRO 70 - HG13 ILE 63 OK 20 76 - 27 - ~7148=2, ~7262=2...(15) HB2 GLN 105 - HG13 ILE 63 OK 15 95 - 15 - 4773=2, 3.0/4765=2, 4.0/1298=1 HG3 PRO 37 - HG13 ILE 63 OK 15 93 - 16 - 3514/3.2=1, 3.8/3527=1...(6) HB2 GLN 16 - HG13 ILE 63 OK 12 92 - 13 - 4.0/3526=3, 1942/5.2=1 HG LEU 21 - HG13 ILE 63 OK 12 85 - 14 - 6406/2.1=2, ~6404=1 HB3 GLN 16 - HG13 ILE 63 OK 12 90 - 13 - 4.0/3526=3, 1942/5.2=1 HG3 GLU 69 - HG13 ILE 63 OK 10 65 - 15 - 1.8/3779=2, 3.0/3773=2...(4) HB2 GLU 15 - HG13 ILE 63 lone 7 76 - 10 - 4.6/3526=2, 5445/5.2=2 HB2 LEU 114 - HG13 ILE 63 lone 5 87 - 6 - Peak 3529 from cnoeabs.peaks (0.76, 1.82, 25.84 ppm; 3.95 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 63 + HG13 ILE 63 OK 100 100 - 100 - 3.2=100 QG2 VAL 66 - HG13 ILE 63 OK 41 96 - 43 - 3536/2.1=7, 3522/1.8=6...(15) HG LEU 111 - HG13 ILE 63 OK 31 97 - 32 - 3536/2.1=6, 3522/1.8=4...(12) QD1 LEU 84 - HG13 ILE 63 OK 19 95 - 20 - 3536/2.1=3, 3522/1.8=3...(8) QD2 LEU 93 - HG13 ILE 63 OK 18 99 - 18 - 3536/2.1=4, 3522/1.8=2...(6) QD2 LEU 111 - HG13 ILE 63 OK 17 63 - 27 - ~3536=3, ~3522=3...(10) QD1 LEU 91 - HG13 ILE 63 OK 14 89 - 16 - 3536/2.1=3, 3522/1.8=2...(7) Peak 3530 from cnoeabs.peaks (1.60, 1.82, 25.84 ppm; 3.61 A): 2 out of 17 assignments used, quality = 1.00: * HG12 ILE 63 + HG13 ILE 63 OK 100 100 - 100 - 1.8=100 HG2 ARG 53 + HG13 ILE 63 OK 63 99 - 65 - 3150=7, 3537/2.1=6...(29) HG2 ARG 57 - HG13 ILE 63 OK 45 78 - 58 - 1.8/3326=6, 3318=5...(31) HG2 ARG 81 - HG13 ILE 63 OK 37 78 - 48 - 3537/2.1=4, ~8647=3...(34) HG3 ARG 81 - HG13 ILE 63 OK 37 78 - 48 - 3537/2.1=4, ~8647=3...(34) HB3 LEU 126 - HG13 ILE 63 lone 9 100 - 9 - HB2 LEU 126 - HG13 ILE 63 lone 9 100 - 9 - HD3 LYS 119 - HG13 ILE 63 lone 9 100 - 8 - HD2 LYS 119 - HG13 ILE 63 lone 9 99 - 8 - HG LEU 126 - HG13 ILE 63 lone 7 99 - 7 - HG2 PRO 30 - HG13 ILE 63 lone 7 97 - 7 - HD3 LYS 32 - HG13 ILE 63 lone 7 99 - 6 - HD2 LYS 32 - HG13 ILE 63 lone 7 99 - 6 - HD3 LYS 31 - HG13 ILE 63 lone 6 85 - 6 - HD2 LYS 31 - HG13 ILE 63 lone 6 85 - 6 - HB2 LEU 59 - HG13 ILE 63 lone 5 78 - 6 - HG LEU 101 - HG13 ILE 63 lone 4 89 - 5 - Peak 3531 from cnoeabs.peaks (1.82, 1.82, 25.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 63 + HG13 ILE 63 OK 100 100 - 100 Peak 3532 from cnoeabs.peaks (0.94, 1.82, 25.84 ppm; 3.51 A): 1 out of 10 assignments used, quality = 1.00: * QD1 ILE 63 + HG13 ILE 63 OK 100 100 - 100 - 2.1=100 QD1 LEU 41 - HG13 ILE 63 OK 33 98 - 34 - 2816=4, 2.1/2809=4...(17) QD1 LEU 55 - HG13 ILE 63 OK 29 99 - 29 - 4.8/7132=6, 3525/1.8=4...(12) QD1 LEU 27 - HG13 ILE 63 OK 23 92 - 26 - 2.1/6524=4, 3525/1.8=3...(10) QD2 LEU 27 - HG13 ILE 63 OK 22 87 - 26 - 6524=4, 3525/1.8=2...(11) QG2 ILE 124 - HG13 ILE 63 OK 20 89 - 22 - 3504/3.7=3, 3525/1.8=3...(11) QG2 ILE 22 - HG13 ILE 63 OK 19 89 - 21 - 3525/1.8=2, 3518/3.2=2...(7) QG2 VAL 49 - HG13 ILE 63 OK 13 81 - 16 - 2.1/6903=3, ~6900=2...(5) QG2 VAL 115 - HG13 ILE 63 lone 8 89 - 9 - HB2 GLN 42 - HG13 ILE 63 lone 5 73 - 7 - 4.0/172=2 Peak 3533 from cnoeabs.peaks (8.44, 0.94, 10.87 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.96: * H ILE 63 + QD1 ILE 63 OK 88 100 - 88 - 5.0=47, 4.0/7149=19...(16) H GLU 82 + QD1 ILE 63 OK 69 98 - 71 - 5.2/8648=13, 5.2/7150=13...(15) H LEU 51 - QD1 ILE 63 OK 28 92 - 30 - 4.6/7129=6, 3.6/7154=6...(9) H GLN 16 - QD1 ILE 63 OK 23 96 - 24 - 3519/2.1=4, 3526/2.1=4...(5) Peak 3534 from cnoeabs.peaks (4.14, 0.94, 10.87 ppm; 2.98 A): 5 out of 12 assignments used, quality = 0.88: * HA ILE 63 + QD1 ILE 63 OK 67 100 - 67 - 4.2=36, 3.6/5668=14...(14) HA PHE 83 + QD1 ILE 63 OK 31 97 - 31 - 8355=9, 3.0/7128=6...(10) HA ARG 57 + QD1 ILE 63 OK 29 73 - 39 - 3.0/7129=5, 3.0/3538=3...(18) HA ILE 124 + QD1 ILE 63 OK 19 100 - 19 - 5337=3, 3.0/8309=2...(7) HA PRO 37 + QD1 ILE 63 OK 12 100 - 12 - 3.6/7126=1, 3513/3.2=1 HB3 SER 78 - QD1 ILE 63 lone 7 97 - 7 - 4.5/7128=2 HA ALA 98 - QD1 ILE 63 lone 5 100 - 5 - HB2 SER 113 - QD1 ILE 63 lone 5 92 - 6 - HA GLU 28 - QD1 ILE 63 lone 5 83 - 6 - HA3 GLY 25 - QD1 ILE 63 lone 4 73 - 6 - 1.8/6485=1, 3.0/7128=1 HA ASN 108 - QD1 ILE 63 lone 3 100 - 3 - HB3 SER 72 - QD1 ILE 63 lone 2 100 - 2 - Peak 3535 from cnoeabs.peaks (2.06, 0.94, 10.87 ppm; 3.57 A): 4 out of 16 assignments used, quality = 1.00: * HB ILE 63 + QD1 ILE 63 OK 100 100 - 100 - 3.2=100 HB2 ARG 57 + QD1 ILE 63 OK 60 99 - 61 - 3.7/7129=7, 1.8/3538=6...(36) HB3 ARG 81 + QD1 ILE 63 OK 50 96 - 53 - 4.3/3533=6, 3.5/8647=5...(26) HG2 GLU 64 + QD1 ILE 63 OK 46 99 - 46 - 5.0/5668=14, 3.0/7157=5...(18) HB2 GLU 56 - QD1 ILE 63 OK 38 73 - 53 - 3.0/8500=6, 4.6/7129=5...(26) HB3 GLU 38 - QD1 ILE 63 OK 26 100 - 26 - 4.4/7127=3, 1.8/6715=2...(12) HG3 PRO 60 - QD1 ILE 63 OK 26 87 - 29 - 1.8/8309=5, 2.3/7148=3...(12) HG3 PRO 70 - QD1 ILE 63 OK 18 76 - 23 - 1.8/7148=2, 2.3/7262=2...(9) HG LEU 21 - QD1 ILE 63 OK 15 85 - 18 - 4.3/7154=4, 6406=1...(5) HG3 PRO 37 - QD1 ILE 63 OK 13 93 - 14 - 3.8/3534=2, 3514/3.2=1 HB2 GLN 16 - QD1 ILE 63 OK 11 92 - 12 - 4.0/3533=2 HB3 GLN 16 - QD1 ILE 63 OK 10 90 - 11 - 4.0/3533=2 HB2 GLN 105 - QD1 ILE 63 OK 10 95 - 11 - 4773/2.1=1, 1.8/3538=1 HG3 GLU 69 - QD1 ILE 63 poor 7 65 - 11 - ~3779=1, 3.0/3538=1 HB2 GLU 15 - QD1 ILE 63 lone 7 76 - 9 - 4.6/3533=2, 5445/5.0=1 HB2 LEU 114 - QD1 ILE 63 lone 6 87 - 7 - 4.0/7558=1 Peak 3536 from cnoeabs.peaks (0.76, 0.94, 10.87 ppm; 2.88 A): 7 out of 7 assignments used, quality = 0.94: * QG2 ILE 63 + QD1 ILE 63 OK 82 100 - 82 - 3.2=71, 4.3/5668=10...(8) QG2 VAL 66 + QD1 ILE 63 OK 29 96 - 30 - 3.2/7146=3, 3529/2.1=3...(12) HG LEU 111 + QD1 ILE 63 OK 22 97 - 23 - 7606=3, 3529/2.1=2...(7) QD2 LEU 93 + QD1 ILE 63 OK 17 99 - 17 - 7606=3, 4.7/7131=2...(4) QD1 LEU 84 + QD1 ILE 63 OK 13 95 - 14 - 3522/2.1=1, 3529/2.1=1...(4) QD2 LEU 111 + QD1 ILE 63 OK 11 63 - 18 - 7606=2, 2.1/7606=2...(7) QD1 LEU 91 + QD1 ILE 63 OK 10 89 - 11 - 3.1/8310=1, 3529/2.1=1 Peak 3537 from cnoeabs.peaks (1.60, 0.94, 10.87 ppm; 3.34 A): 2 out of 17 assignments used, quality = 1.00: * HG12 ILE 63 + QD1 ILE 63 OK 100 100 - 100 - 2.1=100 HG2 ARG 53 + QD1 ILE 63 OK 56 99 - 57 - 3.0/8310=7, 3.0/8309=7...(26) HG2 ARG 57 - QD1 ILE 63 OK 37 78 - 47 - 3.0/3538=4, 5.1/7129=4...(28) HG2 ARG 81 - QD1 ILE 63 OK 34 78 - 43 - 3.0/8647=4, 3530/2.1=3...(24) HG3 ARG 81 - QD1 ILE 63 OK 34 78 - 43 - 3.0/8647=4, 3530/2.1=3...(24) HD3 LYS 119 - QD1 ILE 63 lone 8 100 - 8 - HD2 LYS 119 - QD1 ILE 63 lone 8 99 - 8 - HB3 LEU 126 - QD1 ILE 63 lone 8 100 - 8 - HB2 LEU 126 - QD1 ILE 63 lone 8 100 - 8 - HD2 LYS 32 - QD1 ILE 63 lone 7 99 - 7 - 3.0/7150=1, 3.0/7150=1 HD3 LYS 32 - QD1 ILE 63 lone 7 99 - 7 - 3.0/7150=1, 3.0/7150=1 HG2 PRO 30 - QD1 ILE 63 lone 7 97 - 7 - HG LEU 126 - QD1 ILE 63 lone 6 99 - 6 - HB2 LEU 59 - QD1 ILE 63 lone 6 78 - 7 - 7078/7149=3 HD2 LYS 31 - QD1 ILE 63 lone 5 85 - 6 - HD3 LYS 31 - QD1 ILE 63 lone 5 85 - 6 - HG LEU 101 - QD1 ILE 63 lone 4 89 - 5 - Peak 3538 from cnoeabs.peaks (1.82, 0.94, 10.87 ppm; 3.31 A): 3 out of 13 assignments used, quality = 1.00: * HG13 ILE 63 + QD1 ILE 63 OK 100 100 - 100 - 2.1=100 HG3 ARG 53 + QD1 ILE 63 OK 55 99 - 56 - 3.0/8310=7, 3.0/8309=6...(26) HB3 ARG 57 + QD1 ILE 63 OK 55 99 - 56 - 3.7/7129=6, 3524/2.1=5...(32) HB3 GLU 56 - QD1 ILE 63 OK 30 63 - 48 - 3.0/8500=5, 4.6/7129=4...(26) HG LEU 41 - QD1 ILE 63 OK 28 96 - 29 - 2804=3, 3.0/8309=3...(15) HB2 PRO 60 - QD1 ILE 63 OK 24 89 - 27 - 2.3/8309=4, 1.8/7148=3...(10) HB2 GLU 69 - QD1 ILE 63 OK 12 95 - 13 - ~3773=1 HG12 ILE 22 - QD1 ILE 63 OK 11 65 - 16 - 3.9/7146=2, 1.8/2171=1...(5) HB3 ARG 92 - QD1 ILE 63 poor 10 93 - 10 - 4.2/7131=3 HB3 GLN 105 - QD1 ILE 63 lone 9 100 - 9 - HG2 GLU 75 - QD1 ILE 63 lone 5 99 - 5 - HG2 GLU 73 - QD1 ILE 63 lone 4 87 - 5 - HG3 GLU 73 - QD1 ILE 63 lone 4 85 - 5 - Peak 3539 from cnoeabs.peaks (0.94, 0.94, 10.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 63 + QD1 ILE 63 OK 100 100 - 100 Peak 3540 from cnoeabs.peaks (9.24, 4.26, 56.88 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 64 + HA GLU 64 OK 100 100 - 100 - 2.9=100 H GLU 64 - HA LEU 58 OK 18 82 - 22 - 1074=7, 4.3/7145=2...(10) Peak 3541 from cnoeabs.peaks (4.26, 4.26, 56.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 64 + HA GLU 64 OK 100 100 - 100 HA LEU 58 + HA LEU 58 OK 80 80 - 100 Peak 3542 from cnoeabs.peaks (1.94, 4.26, 56.88 ppm; 2.77 A): 2 out of 34 assignments used, quality = 0.98: * HB2 GLU 64 + HA GLU 64 OK 87 100 - 87 - 3.0=77, 3546/2.9=8...(15) HB3 GLU 64 + HA GLU 64 OK 87 100 - 87 - 3.0=77, 3552/2.9=8...(15) HG LEU 58 - HA LEU 58 OK 42 81 - 52 - 4.3=27, 2.1/3376=9...(12) HB2 LYS 109 - HA LEU 58 OK 24 82 - 30 - 4893/3.0=4, 4894/3.0=3...(17) HB3 LYS 119 - HA LEU 58 OK 13 80 - 17 - 5916/3.6=2, 1049/3.0=2...(6) HB2 GLU 64 - HA LEU 58 OK 13 82 - 16 - 3553=2, 4.0/3540=2...(4) HB3 GLU 64 - HA LEU 58 OK 13 82 - 16 - 3553=2, 4.0/3540=2...(4) HB3 GLU 94 - HA GLU 64 OK 12 90 - 13 - 1.8/4519=2, 4525=2...(4) HG LEU 58 - HA GLU 64 OK 12 100 - 12 - 2.1/3376=2, 3.0/3355=2...(5) HB2 LEU 21 - HA LEU 58 OK 11 75 - 14 - ~7054=2, 1049/3.0=2...(5) HB2 GLU 38 - HA GLU 64 OK 11 100 - 11 - 1.8/3544=1, 3.0/3545=1...(4) HB ILE 80 - HA LEU 58 poor 7 70 - 10 - 2.1/8351=1, 3386/4.0=1 HB3 GLU 94 - HA LEU 58 poor 7 68 - 10 - 1.8/4519=1, 4525=1, 4.0/1238=1 HB2 ARG 85 - HA LEU 58 lone 5 77 - 7 - HB3 ARG 85 - HA LEU 58 lone 5 77 - 7 - HB2 GLU 38 - HA LEU 58 lone 5 81 - 6 - HB2 LEU 21 - HA GLU 64 lone 4 97 - 4 - HB3 GLU 69 - HA GLU 64 lone 4 99 - 4 - HB3 PRO 30 - HA LEU 58 lone 3 77 - 4 - HB ILE 22 - HA LEU 58 lone 3 45 - 6 - HB2 LYS 109 - HA GLU 64 lone 3 100 - 3 - HB ILE 80 - HA GLU 64 lone 3 92 - 3 - HB2 ARG 85 - HA GLU 64 lone 2 97 - 2 - HB3 ARG 85 - HA GLU 64 lone 2 97 - 2 - HB3 PRO 30 - HA GLU 64 lone 2 97 - 2 - HB2 ARG 81 - HA GLU 64 lone 2 60 - 3 - HB3 GLU 69 - HA LEU 58 lone 2 80 - 2 - HB3 LYS 119 - HA GLU 64 lone 2 99 - 2 - HB3 MET 11 - HA LEU 58 lone 1 59 - 2 - HB2 ARG 81 - HA LEU 58 lone 1 42 - 2 - HB ILE 22 - HA GLU 64 lone 1 63 - 1 - HB3 GLU 73 - HA LEU 58 lone 1 49 - 2 - HB3 MET 11 - HA GLU 64 lone 1 81 - 1 - HB3 GLU 73 - HA GLU 64 lone 0 68 - 1 - Peak 3543 from cnoeabs.peaks (1.93, 4.26, 56.88 ppm; 2.77 A): 2 out of 34 assignments used, quality = 0.98: * HB3 GLU 64 + HA GLU 64 OK 87 100 - 87 - 3.0=77, 3552/2.9=8...(15) HB2 GLU 64 + HA GLU 64 OK 87 100 - 87 - 3.0=77, 3546/2.9=8...(15) HG LEU 58 - HA LEU 58 OK 42 81 - 52 - 4.3=27, 2.1/3376=9...(12) HB2 LYS 109 - HA LEU 58 OK 24 82 - 30 - 4893/3.0=4, 4894/3.0=3...(17) HB3 LYS 119 - HA LEU 58 OK 13 78 - 17 - 5916/3.6=2, 1049/3.0=2...(6) HB3 GLU 64 - HA LEU 58 OK 13 82 - 16 - 3553=2, 4.0/3540=2...(4) HB2 GLU 64 - HA LEU 58 OK 13 82 - 16 - 3553=2, 4.0/3540=2...(4) HG LEU 58 - HA GLU 64 OK 12 100 - 12 - 2.1/3376=2, 3.0/3355=2...(5) HB3 GLU 94 - HA GLU 64 OK 11 87 - 13 - 1.8/4519=2, 4525=2...(4) HB2 LEU 21 - HA LEU 58 OK 11 78 - 14 - ~7054=2, 1049/3.0=2...(5) HB2 GLU 38 - HA GLU 64 OK 11 99 - 11 - 1.8/3544=1, 3.0/3545=1...(4) HB ILE 80 - HA LEU 58 poor 7 73 - 10 - 2.1/8351=1, 3386/4.0=1 HB3 GLU 94 - HA LEU 58 lone 6 65 - 10 - 1.8/4519=1, 4525=1, 4.0/1238=1 HB2 ARG 85 - HA LEU 58 lone 5 74 - 7 - HB3 ARG 85 - HA LEU 58 lone 5 74 - 7 - HB2 GLU 38 - HA LEU 58 lone 4 80 - 6 - HB2 LEU 21 - HA GLU 64 lone 4 98 - 4 - HB3 GLU 69 - HA GLU 64 lone 4 99 - 4 - HB ILE 22 - HA LEU 58 lone 3 49 - 6 - HB2 LYS 109 - HA GLU 64 lone 3 100 - 3 - HB3 PRO 30 - HA LEU 58 lone 3 74 - 4 - HB ILE 80 - HA GLU 64 lone 3 95 - 3 - HB2 ARG 85 - HA GLU 64 lone 2 96 - 2 - HB3 ARG 85 - HA GLU 64 lone 2 96 - 2 - HB2 ARG 81 - HA GLU 64 lone 2 65 - 3 - HB3 PRO 30 - HA GLU 64 lone 2 96 - 2 - HB3 GLU 69 - HA LEU 58 lone 2 78 - 2 - HB3 LYS 119 - HA GLU 64 lone 2 99 - 2 - HB3 MET 11 - HA LEU 58 lone 2 63 - 2 - HB2 ARG 81 - HA LEU 58 lone 1 47 - 2 - HB ILE 22 - HA GLU 64 lone 1 68 - 1 - HB3 GLU 73 - HA LEU 58 lone 1 53 - 2 - HB3 MET 11 - HA GLU 64 lone 1 85 - 1 - HB3 GLU 73 - HA GLU 64 lone 1 73 - 1 - Peak 3544 from cnoeabs.peaks (2.07, 4.26, 56.88 ppm; 3.20 A): 2 out of 30 assignments used, quality = 0.92: * HG2 GLU 64 + HA GLU 64 OK 79 100 - 79 - 3.9=56, 1.8/3545=11...(15) HB ILE 63 + HA GLU 64 OK 62 99 - 63 - 2.1/7145=14, ~5665=11...(18) HB2 ARG 57 - HA LEU 58 OK 19 82 - 23 - 265/3.0=7, ~266=6...(6) HB3 GLU 38 - HA GLU 64 OK 14 96 - 14 - 3.0/3545=2, 3.0/3545=2...(7) HG LEU 21 - HA LEU 58 OK 13 75 - 18 - ~7054=4, 265/3.0=3...(6) HG2 GLU 64 - HA LEU 58 OK 10 82 - 12 - 3559=2, 5.0/3540=2...(6) HB ILE 63 - HA LEU 58 poor 10 78 - 12 - 2.1/7145=3, 4.4/3540=2...(4) HB2 LEU 114 - HA LEU 58 lone 7 77 - 10 - 265/3.0=1, 5066/3.0=1...(4) HB2 ARG 57 - HA GLU 64 lone 7 100 - 7 - 4.2/1046=2, 1077/2.9=1 HG LEU 21 - HA GLU 64 lone 6 97 - 6 - HB3 GLU 38 - HA LEU 58 lone 5 74 - 7 - 5639/3.0=2, ~7069=1 HG3 GLU 69 - HA GLU 64 lone 5 85 - 5 - HB2 LEU 114 - HA GLU 64 lone 4 97 - 4 - 303/3.6=2 HB3 ARG 81 - HA GLU 64 lone 4 83 - 5 - 294/2.9=1 HB2 GLU 15 - HA GLU 64 lone 4 92 - 4 - HB2 GLN 16 - HA GLU 64 lone 3 99 - 3 - HB3 GLN 16 - HA GLU 64 lone 3 99 - 3 - HG3 PRO 60 - HA LEU 58 lone 3 49 - 5 - 7074/3.6=3 HG3 PRO 37 - HA GLU 64 lone 2 78 - 3 - HG3 PRO 37 - HA LEU 58 lone 2 57 - 4 - HB2 LEU 101 - HA LEU 58 lone 2 45 - 5 - HB3 ARG 81 - HA LEU 58 lone 2 61 - 3 - HB2 GLN 16 - HA LEU 58 lone 2 79 - 2 - HB3 GLN 16 - HA LEU 58 lone 2 78 - 2 - HB2 LEU 101 - HA GLU 64 lone 2 63 - 3 - 303/3.6=1 HG3 GLU 69 - HA LEU 58 lone 1 63 - 2 - HB2 GLN 105 - HA GLU 64 lone 1 100 - 1 - HB2 GLN 105 - HA LEU 58 lone 1 81 - 1 - HB2 GLU 15 - HA LEU 58 lone 1 70 - 2 - HG3 PRO 60 - HA GLU 64 lone 1 68 - 1 - Peak 3545 from cnoeabs.peaks (2.24, 4.26, 56.88 ppm; 3.39 A): 2 out of 24 assignments used, quality = 0.90: * HG3 GLU 64 + HA GLU 64 OK 87 100 - 87 - 3.9=67, 1.8/3559=13...(17) HG2 GLU 94 + HA GLU 64 OK 20 100 - 20 - 3564/2.9=3, 3565=3...(9) HG2 GLU 38 - HA GLU 64 OK 17 100 - 17 - 1078/2.9=2, 304/3.6=1...(6) HG3 GLU 38 - HA GLU 64 OK 16 100 - 17 - 1078/2.9=2, 304/3.6=1...(6) HG3 GLU 28 - HA GLU 64 OK 16 100 - 16 - 3564/2.9=3, 3565=3...(6) HG2 GLU 28 - HA GLU 64 OK 16 99 - 16 - 3564/2.9=3, 3565=3...(6) HB3 LEU 117 - HA LEU 58 OK 14 81 - 17 - 5144/3.6=4, 5907/3.0=3...(8) HG3 GLU 64 - HA LEU 58 OK 11 82 - 13 - 3565=2, 1.8/3559=2...(5) HG2 GLU 94 - HA LEU 58 poor 9 82 - 11 - 3565=2, 3.0/4519=2...(6) HG2 GLU 56 - HA GLU 64 lone 6 98 - 6 - 7025/7145=2, 1078/2.9=2 HB2 PRO 70 - HA GLU 64 lone 4 99 - 4 - HG3 GLU 15 - HA GLU 64 lone 4 93 - 4 - HB3 LEU 117 - HA GLU 64 lone 4 100 - 4 - 304/3.6=2 HB3 PRO 37 - HA GLU 64 lone 4 78 - 5 - HG2 GLU 38 - HA LEU 58 lone 4 81 - 5 - HG3 GLU 38 - HA LEU 58 lone 4 81 - 5 - HG3 GLU 28 - HA LEU 58 lone 3 81 - 4 - HG2 GLU 28 - HA LEU 58 lone 3 79 - 4 - HB2 PRO 68 - HA GLU 64 lone 3 100 - 3 - HB2 PRO 68 - HA LEU 58 lone 3 81 - 4 - HB3 PRO 37 - HA LEU 58 lone 2 57 - 4 - HG2 GLU 56 - HA LEU 58 lone 2 78 - 3 - HB2 PRO 70 - HA LEU 58 lone 1 79 - 1 - HG3 GLU 15 - HA LEU 58 lone 1 71 - 1 - Peak 3546 from cnoeabs.peaks (9.24, 1.94, 30.87 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 64 + HB2 GLU 64 OK 94 100 - 94 - 4.0=81, 299/4.6=20...(20) H GLU 64 + HB3 GLU 64 OK 94 100 - 94 - 4.0=81, 299/4.6=20...(20) Peak 3547 from cnoeabs.peaks (4.26, 1.94, 30.87 ppm; 3.33 A): 2 out of 18 assignments used, quality = 1.00: * HA GLU 64 + HB2 GLU 64 OK 100 100 - 100 - 3.0=100 HA GLU 64 + HB3 GLU 64 OK 100 100 - 100 - 3.0=100 HA LEU 58 - HB2 GLU 64 OK 22 99 - 22 - 3540/4.0=3, 3.0/1049=2...(10) HA LEU 58 - HB3 GLU 64 OK 22 99 - 22 - 3540/4.0=3, 3.0/1049=2...(10) HA GLU 94 - HB2 GLU 64 OK 18 96 - 19 - 4515=2, 1074/4.0=2...(7) HA GLU 94 - HB3 GLU 64 OK 18 95 - 19 - 4515=2, 1074/4.0=2...(7) HA GLN 103 - HB2 GLU 64 lone 6 90 - 7 - 300/4.6=2, 1074/4.0=1 HA GLN 103 - HB3 GLU 64 lone 6 90 - 7 - 300/4.6=2, 1074/4.0=1 HA ALA 89 - HB2 GLU 64 lone 3 89 - 3 - HA ALA 89 - HB3 GLU 64 lone 3 88 - 3 - HB THR 19 - HB2 GLU 64 lone 3 97 - 3 - HB THR 19 - HB3 GLU 64 lone 3 96 - 3 - HA3 GLY 48 - HB3 GLU 64 lone 2 95 - 2 - HA3 GLY 48 - HB2 GLU 64 lone 2 96 - 2 - HA THR 17 - HB2 GLU 64 lone 1 71 - 2 - HA THR 17 - HB3 GLU 64 lone 1 71 - 2 - HA ALA 122 - HB2 GLU 64 lone 1 96 - 1 - HA ALA 122 - HB3 GLU 64 lone 1 95 - 1 - Peak 3548 from cnoeabs.peaks (1.94, 1.94, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 64 + HB2 GLU 64 OK 100 100 - 100 HB3 GLU 64 + HB3 GLU 64 OK 100 100 - 100 Peak 3549 from cnoeabs.peaks (1.93, 1.94, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 64 + HB3 GLU 64 OK 100 100 - 100 HB2 GLU 64 + HB2 GLU 64 OK 100 100 - 100 Reference assignment not found: HB3 GLU 64 - HB2 GLU 64 Peak 3550 from cnoeabs.peaks (2.07, 1.94, 30.87 ppm; 3.03 A): 4 out of 30 assignments used, quality = 1.00: * HG2 GLU 64 + HB2 GLU 64 OK 100 100 - 100 - 3.0=100 HG2 GLU 64 + HB3 GLU 64 OK 100 100 - 100 - 3.0=100 HB ILE 63 + HB2 GLU 64 OK 49 99 - 50 - 5664/4.0=6, ~7145=5...(21) HB ILE 63 + HB3 GLU 64 OK 49 99 - 50 - 5664/4.0=6, ~7145=5...(21) HB3 GLU 38 - HB2 GLU 64 OK 19 96 - 20 - 2713=2, 2713/1.8=2...(6) HB3 GLU 38 - HB3 GLU 64 OK 19 95 - 20 - 2713=2, 2713/1.8=2...(6) HG LEU 21 - HB3 GLU 64 lone 10 96 - 10 - HG LEU 21 - HB2 GLU 64 lone 10 97 - 10 - HG3 GLU 69 - HB2 GLU 64 poor 9 85 - 10 - 1.8/3780=2 HG3 GLU 69 - HB3 GLU 64 poor 9 85 - 10 - 1.8/3780=2 HB2 ARG 57 - HB3 GLU 64 lone 8 100 - 8 - HB2 ARG 57 - HB2 GLU 64 lone 8 100 - 8 - HB2 GLU 15 - HB2 GLU 64 lone 5 92 - 5 - HB2 GLU 15 - HB3 GLU 64 lone 5 92 - 5 - HB3 ARG 81 - HB3 GLU 64 lone 5 83 - 6 - HB3 ARG 81 - HB2 GLU 64 lone 5 83 - 5 - HB2 LEU 114 - HB3 GLU 64 lone 4 97 - 4 - 303/4.6=1 HB2 LEU 114 - HB2 GLU 64 lone 4 97 - 4 - 303/4.6=1 HG3 PRO 37 - HB2 GLU 64 lone 3 78 - 4 - HG3 PRO 37 - HB3 GLU 64 lone 3 78 - 4 - HB2 GLN 16 - HB3 GLU 64 lone 2 99 - 2 - HB2 GLN 16 - HB2 GLU 64 lone 2 99 - 2 - HB3 GLN 16 - HB3 GLU 64 lone 2 99 - 2 - HB3 GLN 16 - HB2 GLU 64 lone 2 99 - 2 - HB2 GLN 105 - HB3 GLU 64 lone 2 100 - 2 - HB2 GLN 105 - HB2 GLU 64 lone 2 100 - 2 - HB2 LEU 101 - HB2 GLU 64 lone 2 63 - 3 - HB2 LEU 101 - HB3 GLU 64 lone 2 63 - 3 - HG3 PRO 60 - HB2 GLU 64 lone 1 68 - 1 - HG3 PRO 60 - HB3 GLU 64 lone 1 68 - 1 - Peak 3551 from cnoeabs.peaks (2.24, 1.94, 30.87 ppm; 3.41 A): 2 out of 24 assignments used, quality = 1.00: * HG3 GLU 64 + HB2 GLU 64 OK 100 100 - 100 - 3.0=100 HG3 GLU 64 + HB3 GLU 64 OK 100 100 - 100 - 3.0=100 HG2 GLU 38 - HB2 GLU 64 OK 24 100 - 25 - 2719=2, 1.8/2719=2...(11) HG3 GLU 38 - HB2 GLU 64 OK 24 100 - 25 - 2719=2, 1.8/2719=2...(11) HG2 GLU 38 - HB3 GLU 64 OK 24 100 - 25 - 2719=2, 2719/1.8=2...(11) HG3 GLU 38 - HB3 GLU 64 OK 24 100 - 25 - 2719=2, 2719/1.8=2...(11) HG2 GLU 94 - HB2 GLU 64 OK 20 100 - 20 - 3564/4.0=3, 3545/3.0=2...(9) HG2 GLU 94 - HB3 GLU 64 OK 20 100 - 20 - 3564/4.0=3, 3545/3.0=2...(9) HG3 GLU 28 - HB3 GLU 64 OK 14 100 - 14 - 3564/4.0=2, 3545/3.0=2 HG3 GLU 28 - HB2 GLU 64 OK 14 100 - 14 - 3564/4.0=2, 3545/3.0=2 HG2 GLU 28 - HB2 GLU 64 OK 14 99 - 14 - 3564/4.0=2, 3545/3.0=2 HG2 GLU 28 - HB3 GLU 64 OK 14 99 - 14 - 3564/4.0=2, 3545/3.0=2 HB2 PRO 70 - HB2 GLU 64 lone 7 99 - 7 - HB2 PRO 70 - HB3 GLU 64 lone 7 99 - 7 - HB3 PRO 37 - HB2 GLU 64 lone 5 78 - 7 - 3.9/928=1 HB3 PRO 37 - HB3 GLU 64 lone 5 78 - 7 - 3.9/928=1 HG3 GLU 15 - HB2 GLU 64 lone 5 93 - 6 - HG3 GLU 15 - HB3 GLU 64 lone 5 93 - 6 - HG2 GLU 56 - HB2 GLU 64 lone 5 98 - 5 - 1078/4.0=1 HG2 GLU 56 - HB3 GLU 64 lone 5 98 - 5 - 1078/4.0=1 HB2 PRO 68 - HB2 GLU 64 lone 4 100 - 4 - HB2 PRO 68 - HB3 GLU 64 lone 4 100 - 4 - HB3 LEU 117 - HB2 GLU 64 lone 4 100 - 4 - 304/4.6=1 HB3 LEU 117 - HB3 GLU 64 lone 4 100 - 4 - 304/4.6=1 Peak 3552 from cnoeabs.peaks (9.24, 1.93, 30.87 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 64 + HB3 GLU 64 OK 94 100 - 94 - 4.0=81, 299/4.6=20...(20) H GLU 64 + HB2 GLU 64 OK 94 100 - 94 - 4.0=81, 299/4.6=20...(20) Peak 3553 from cnoeabs.peaks (4.26, 1.93, 30.87 ppm; 3.33 A): 2 out of 18 assignments used, quality = 1.00: * HA GLU 64 + HB3 GLU 64 OK 100 100 - 100 - 3.0=100 HA GLU 64 + HB2 GLU 64 OK 100 100 - 100 - 3.0=100 HA LEU 58 - HB3 GLU 64 OK 22 99 - 22 - 3540/4.0=3, 3.0/1049=2...(10) HA LEU 58 - HB2 GLU 64 OK 22 99 - 22 - 3540/4.0=3, 3.0/1049=2...(10) HA GLU 94 - HB2 GLU 64 OK 18 95 - 19 - 4515=2, 1074/4.0=2...(7) HA GLU 94 - HB3 GLU 64 OK 18 96 - 19 - 4515=2, 1074/4.0=2...(7) HA GLN 103 - HB3 GLU 64 lone 6 90 - 7 - 300/4.6=2, 1074/4.0=1 HA GLN 103 - HB2 GLU 64 lone 6 90 - 7 - 300/4.6=2, 1074/4.0=1 HA ALA 89 - HB3 GLU 64 lone 3 89 - 3 - HA ALA 89 - HB2 GLU 64 lone 3 88 - 3 - HB THR 19 - HB3 GLU 64 lone 3 97 - 3 - HB THR 19 - HB2 GLU 64 lone 3 96 - 3 - HA3 GLY 48 - HB3 GLU 64 lone 2 96 - 2 - HA3 GLY 48 - HB2 GLU 64 lone 2 95 - 2 - HA THR 17 - HB3 GLU 64 lone 1 71 - 2 - HA ALA 122 - HB3 GLU 64 lone 1 96 - 1 - HA THR 17 - HB2 GLU 64 lone 1 71 - 2 - HA ALA 122 - HB2 GLU 64 lone 1 95 - 1 - Peak 3554 from cnoeabs.peaks (1.94, 1.93, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 64 + HB3 GLU 64 OK 100 100 - 100 HB2 GLU 64 + HB2 GLU 64 OK 100 100 - 100 Reference assignment not found: HB2 GLU 64 - HB3 GLU 64 Peak 3555 from cnoeabs.peaks (1.93, 1.93, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 64 + HB3 GLU 64 OK 100 100 - 100 HB2 GLU 64 + HB2 GLU 64 OK 100 100 - 100 Peak 3556 from cnoeabs.peaks (2.07, 1.93, 30.87 ppm; 3.03 A): 4 out of 30 assignments used, quality = 1.00: * HG2 GLU 64 + HB3 GLU 64 OK 100 100 - 100 - 3.0=100 HG2 GLU 64 + HB2 GLU 64 OK 100 100 - 100 - 3.0=100 HB ILE 63 + HB3 GLU 64 OK 49 99 - 50 - 5664/4.0=6, ~7145=5...(21) HB ILE 63 + HB2 GLU 64 OK 49 99 - 50 - 5664/4.0=6, ~7145=5...(21) HB3 GLU 38 - HB3 GLU 64 OK 19 96 - 20 - 2713=2, 2713/1.8=2...(6) HB3 GLU 38 - HB2 GLU 64 OK 19 95 - 20 - 2713=2, 2713/1.8=2...(6) HG LEU 21 - HB3 GLU 64 poor 10 97 - 10 - HG LEU 21 - HB2 GLU 64 lone 10 96 - 10 - HG3 GLU 69 - HB3 GLU 64 poor 9 85 - 10 - 1.8/3780=1 HG3 GLU 69 - HB2 GLU 64 poor 9 85 - 10 - 1.8/3780=2 HB2 ARG 57 - HB3 GLU 64 lone 8 100 - 8 - HB2 ARG 57 - HB2 GLU 64 lone 8 100 - 8 - HB2 GLU 15 - HB3 GLU 64 lone 5 92 - 5 - HB2 GLU 15 - HB2 GLU 64 lone 5 92 - 5 - HB3 ARG 81 - HB3 GLU 64 lone 5 83 - 6 - HB3 ARG 81 - HB2 GLU 64 lone 5 83 - 6 - HB2 LEU 114 - HB3 GLU 64 lone 4 97 - 4 - 303/4.6=1 HB2 LEU 114 - HB2 GLU 64 lone 4 97 - 4 - 303/4.6=1 HG3 PRO 37 - HB3 GLU 64 lone 3 78 - 4 - HG3 PRO 37 - HB2 GLU 64 lone 3 78 - 4 - HB2 GLN 16 - HB3 GLU 64 lone 2 99 - 2 - HB2 GLN 16 - HB2 GLU 64 lone 2 99 - 2 - HB3 GLN 16 - HB3 GLU 64 lone 2 99 - 2 - HB3 GLN 16 - HB2 GLU 64 lone 2 99 - 2 - HB2 GLN 105 - HB3 GLU 64 lone 2 100 - 2 - HB2 GLN 105 - HB2 GLU 64 lone 2 100 - 2 - HB2 LEU 101 - HB2 GLU 64 lone 2 63 - 3 - HB2 LEU 101 - HB3 GLU 64 lone 2 63 - 3 - HG3 PRO 60 - HB3 GLU 64 lone 1 68 - 1 - HG3 PRO 60 - HB2 GLU 64 lone 1 68 - 1 - Peak 3557 from cnoeabs.peaks (2.24, 1.93, 30.87 ppm; 3.41 A): 2 out of 24 assignments used, quality = 1.00: * HG3 GLU 64 + HB3 GLU 64 OK 100 100 - 100 - 3.0=100 HG3 GLU 64 + HB2 GLU 64 OK 100 100 - 100 - 3.0=100 HG2 GLU 38 - HB2 GLU 64 OK 24 100 - 25 - 2719=2, 2719/1.8=2...(11) HG2 GLU 38 - HB3 GLU 64 OK 24 100 - 25 - 2719=2, 2719/1.8=2...(11) HG3 GLU 38 - HB2 GLU 64 OK 24 100 - 25 - 2719=2, 1.8/2719=2...(11) HG3 GLU 38 - HB3 GLU 64 OK 24 100 - 24 - 2719=2, 2719/1.8=2...(11) HG2 GLU 94 - HB2 GLU 64 OK 20 100 - 20 - 3564/4.0=3, 3545/3.0=2...(9) HG2 GLU 94 - HB3 GLU 64 OK 20 100 - 20 - 3564/4.0=3, 3545/3.0=2...(9) HG3 GLU 28 - HB3 GLU 64 OK 14 100 - 14 - 3564/4.0=2, 3545/3.0=2 HG3 GLU 28 - HB2 GLU 64 OK 14 100 - 14 - 3564/4.0=2, 3545/3.0=2 HG2 GLU 28 - HB3 GLU 64 OK 14 99 - 14 - 3564/4.0=2, 3545/3.0=2 HG2 GLU 28 - HB2 GLU 64 OK 14 99 - 14 - 3564/4.0=2, 3545/3.0=2 HB2 PRO 70 - HB3 GLU 64 lone 7 99 - 7 - HB2 PRO 70 - HB2 GLU 64 lone 7 99 - 7 - HB3 PRO 37 - HB3 GLU 64 lone 5 78 - 7 - 3.9/928=1 HB3 PRO 37 - HB2 GLU 64 lone 5 78 - 7 - 3.9/928=1 HG3 GLU 15 - HB3 GLU 64 lone 5 93 - 6 - HG3 GLU 15 - HB2 GLU 64 lone 5 93 - 6 - HG2 GLU 56 - HB3 GLU 64 lone 5 98 - 5 - 1078/4.0=1 HG2 GLU 56 - HB2 GLU 64 lone 5 98 - 5 - 1078/4.0=1 HB2 PRO 68 - HB2 GLU 64 lone 4 100 - 4 - HB2 PRO 68 - HB3 GLU 64 lone 4 100 - 4 - HB3 LEU 117 - HB3 GLU 64 lone 4 100 - 4 - 304/4.6=1 HB3 LEU 117 - HB2 GLU 64 lone 4 100 - 4 - 304/4.6=1 Peak 3558 from cnoeabs.peaks (9.24, 2.07, 35.98 ppm; 3.93 A): 2 out of 3 assignments used, quality = 0.96: * H GLU 64 + HG2 GLU 64 OK 84 100 - 84 - 5.0=48, 3564/1.8=22...(16) H GLU 64 + HB ILE 63 OK 74 78 - 94 - 4.4=69, 5665/2.1=38...(12) H GLU 64 - HG3 GLU 69 lone 6 85 - 7 - 1077=1 Peak 3559 from cnoeabs.peaks (4.26, 2.07, 35.98 ppm; 3.37 A): 2 out of 27 assignments used, quality = 0.93: * HA GLU 64 + HG2 GLU 64 OK 85 100 - 85 - 3.9=66, 3545/1.8=12...(15) HA GLU 64 + HB ILE 63 OK 53 78 - 67 - 7145/2.1=15, ~5665=12...(18) HA LEU 58 - HG2 GLU 64 OK 13 99 - 13 - 3540/5.0=2, 3553/3.0=2...(6) HA GLU 94 - HG2 GLU 64 OK 12 96 - 12 - 3565/1.8=2, 3547/3.0=2...(4) HA LEU 58 - HB ILE 63 OK 10 76 - 13 - 7145/2.1=3, 3540/4.4=2...(5) HA3 GLY 48 - HG3 GLU 69 poor 8 77 - 11 - ~6883=3, 6889/1.8=2...(5) HA GLU 94 - HB ILE 63 lone 6 70 - 8 - 7145/2.1=2, 1074/4.4=1, ~463=1 HA GLU 64 - HG3 GLU 69 lone 5 85 - 6 - HB THR 19 - HG3 GLU 69 lone 5 78 - 6 - 4.4/6380=2, 5462/5.0=1 HA ALA 89 - HB ILE 63 lone 4 63 - 6 - 7145/2.1=2, ~7123=2 HB THR 19 - HB ILE 63 lone 3 72 - 5 - HA GLN 103 - HG2 GLU 64 lone 3 90 - 3 - HA GLN 103 - HB ILE 63 lone 3 65 - 5 - 7145/2.1=2, 1074/4.4=1 HB THR 19 - HG2 GLU 64 lone 3 97 - 3 - HA THR 17 - HB ILE 63 lone 3 48 - 5 - HA THR 17 - HG3 GLU 69 lone 3 53 - 5 - HA LEU 58 - HG3 GLU 69 lone 2 83 - 2 - HA ALA 89 - HG2 GLU 64 lone 2 89 - 2 - HA THR 17 - HG2 GLU 64 lone 2 71 - 2 - HA3 GLY 48 - HB ILE 63 lone 2 70 - 2 - HA3 GLY 48 - HG2 GLU 64 lone 1 96 - 1 - HA GLU 94 - HG3 GLU 69 lone 1 77 - 1 - HA ALA 122 - HG2 GLU 64 lone 1 96 - 1 - HA ALA 122 - HB ILE 63 lone 1 70 - 1 - HA GLN 103 - HG3 GLU 69 lone 1 71 - 1 - HA ALA 89 - HG3 GLU 69 lone 1 69 - 1 - HA ALA 122 - HG3 GLU 69 lone 0 77 - 0 - Peak 3560 from cnoeabs.peaks (1.94, 2.07, 35.98 ppm; 2.65 A): 3 out of 51 assignments used, quality = 0.99: HB3 GLU 64 + HG2 GLU 64 OK 80 100 - 80 - 3.0=71, 3567/1.8=6...(11) * HB2 GLU 64 + HG2 GLU 64 OK 80 100 - 80 - 3.0=71, 3567/1.8=6...(11) HB3 GLU 69 + HG3 GLU 69 OK 67 83 - 81 - 3.0=70, 3780/1.8=15...(11) HB2 GLU 64 - HB ILE 63 OK 31 78 - 40 - 4.0/3558=4, 3550=4...(17) HB3 GLU 64 - HB ILE 63 OK 31 78 - 40 - 4.0/3558=4, 3556=4...(17) HB3 PRO 30 - HG3 GLU 69 OK 16 79 - 20 - 3780/1.8=5, 1.8/3787=2...(7) HB2 GLU 38 - HB ILE 63 OK 11 77 - 15 - 2708=2, 7139/2.1=1...(5) HB2 ARG 81 - HB ILE 63 OK 11 40 - 28 - 4115=2, 3.0/4107=2...(15) HB2 GLU 38 - HG2 GLU 64 OK 11 100 - 11 - 2708=2 HB ILE 80 - HG3 GLU 69 OK 10 73 - 14 - 3780/1.8=3, ~4080=1...(5) HB2 LEU 21 - HG3 GLU 69 lone 7 78 - 9 - 3.8/845=1, 3780/1.8=1 HB3 GLU 94 - HG2 GLU 64 lone 7 90 - 8 - HB2 GLU 64 - HG3 GLU 69 lone 6 85 - 7 - 3780/1.8=1 HB2 LEU 21 - HB ILE 63 lone 6 72 - 9 - ~7154=1 HB3 GLU 64 - HG3 GLU 69 lone 6 84 - 7 - 3780/1.8=1 HB3 GLU 69 - HG2 GLU 64 lone 6 99 - 6 - HB3 GLU 69 - HB ILE 63 lone 6 76 - 8 - HB2 LEU 21 - HG2 GLU 64 lone 5 97 - 5 - HG LEU 58 - HG2 GLU 64 lone 4 100 - 4 - HB ILE 80 - HB ILE 63 lone 3 66 - 5 - 4.4/1165=1 HB ILE 22 - HB ILE 63 lone 3 42 - 8 - HB3 ARG 85 - HB ILE 63 lone 3 73 - 4 - HB2 ARG 85 - HB ILE 63 lone 3 73 - 4 - HB3 GLU 94 - HB ILE 63 lone 3 65 - 4 - HG LEU 58 - HB ILE 63 lone 3 77 - 4 - HB3 PRO 30 - HB ILE 63 lone 2 73 - 3 - HG LEU 58 - HG3 GLU 69 lone 2 83 - 3 - HB2 ARG 85 - HG2 GLU 64 lone 2 97 - 2 - HB3 ARG 85 - HG2 GLU 64 lone 2 97 - 2 - HB2 GLU 38 - HG3 GLU 69 lone 2 84 - 2 - HB3 LYS 119 - HB ILE 63 lone 2 76 - 2 - HB3 PRO 30 - HG2 GLU 64 lone 2 97 - 2 - HB ILE 80 - HG2 GLU 64 lone 2 92 - 2 - HB2 ARG 81 - HG2 GLU 64 lone 2 60 - 3 - HB3 LYS 119 - HG3 GLU 69 lone 1 83 - 2 - HB2 LYS 109 - HG3 GLU 69 lone 1 85 - 2 - HB2 LYS 109 - HG2 GLU 64 lone 1 100 - 1 - HB ILE 22 - HG3 GLU 69 lone 1 47 - 3 - HB3 GLU 73 - HB ILE 63 lone 1 46 - 3 - HB3 LYS 119 - HG2 GLU 64 lone 1 99 - 1 - HB3 ARG 85 - HG3 GLU 69 lone 1 79 - 1 - HB2 ARG 85 - HG3 GLU 69 lone 1 79 - 1 - HB3 GLU 94 - HG3 GLU 69 lone 1 71 - 1 - HB2 LYS 109 - HB ILE 63 lone 1 78 - 1 - HB ILE 22 - HG2 GLU 64 lone 1 63 - 1 - HB3 GLU 73 - HG3 GLU 69 lone 1 51 - 1 - HB3 MET 11 - HG3 GLU 69 lone 1 62 - 1 - HB3 MET 11 - HG2 GLU 64 lone 0 81 - 1 - HB3 GLU 73 - HG2 GLU 64 lone 0 68 - 1 - HB3 MET 11 - HB ILE 63 lone 0 56 - 1 - HB2 ARG 81 - HG3 GLU 69 lone 0 44 - 0 - Peak 3561 from cnoeabs.peaks (1.93, 2.07, 35.98 ppm; 2.65 A): 3 out of 51 assignments used, quality = 0.99: * HB3 GLU 64 + HG2 GLU 64 OK 80 100 - 80 - 3.0=71, 3567/1.8=6...(11) HB2 GLU 64 + HG2 GLU 64 OK 80 100 - 80 - 3.0=71, 3567/1.8=6...(11) HB3 GLU 69 + HG3 GLU 69 OK 66 81 - 81 - 3.0=70, 3780/1.8=15...(11) HB3 GLU 64 - HB ILE 63 OK 31 78 - 40 - 4.0/3558=4, 3556=4...(17) HB2 GLU 64 - HB ILE 63 OK 31 78 - 40 - 4.0/3558=4, 3550=4...(17) HB3 PRO 30 - HG3 GLU 69 OK 15 77 - 20 - 3780/1.8=4, 1.8/3787=2...(7) HB2 ARG 81 - HB ILE 63 OK 12 44 - 29 - 4115=2, 3.0/4107=2...(15) HB2 GLU 38 - HB ILE 63 OK 11 76 - 15 - 2708=2, 7139/2.1=1...(5) HB2 GLU 38 - HG2 GLU 64 OK 11 99 - 11 - 2708=2 HB ILE 80 - HG3 GLU 69 OK 10 76 - 14 - 3780/1.8=3, ~4080=1...(5) HB2 LEU 21 - HG3 GLU 69 lone 7 80 - 9 - 3.8/845=1, 3780/1.8=1 HB3 GLU 94 - HG2 GLU 64 lone 7 87 - 8 - HB2 LEU 21 - HB ILE 63 lone 7 74 - 9 - ~7154=1 HB3 GLU 64 - HG3 GLU 69 lone 6 85 - 7 - 3780/1.8=1 HB2 GLU 64 - HG3 GLU 69 lone 6 84 - 7 - 3780/1.8=1 HB3 GLU 69 - HG2 GLU 64 lone 6 99 - 6 - HB3 GLU 69 - HB ILE 63 lone 6 75 - 8 - HB2 LEU 21 - HG2 GLU 64 lone 5 98 - 5 - HG LEU 58 - HG2 GLU 64 lone 4 100 - 4 - HB ILE 22 - HB ILE 63 lone 4 46 - 8 - HB ILE 80 - HB ILE 63 lone 3 69 - 5 - 4.4/1165=1 HG LEU 58 - HB ILE 63 lone 3 78 - 4 - HB2 ARG 85 - HB ILE 63 lone 3 70 - 4 - HB3 ARG 85 - HB ILE 63 lone 3 70 - 4 - HB3 GLU 94 - HB ILE 63 lone 3 61 - 4 - HG LEU 58 - HG3 GLU 69 lone 2 84 - 3 - HB3 PRO 30 - HB ILE 63 lone 2 70 - 3 - HB2 ARG 85 - HG2 GLU 64 lone 2 96 - 2 - HB3 ARG 85 - HG2 GLU 64 lone 2 96 - 2 - HB2 GLU 38 - HG3 GLU 69 lone 2 83 - 2 - HB3 LYS 119 - HB ILE 63 lone 2 75 - 2 - HB2 ARG 81 - HG2 GLU 64 lone 2 65 - 3 - HB ILE 80 - HG2 GLU 64 lone 2 95 - 2 - HB3 PRO 30 - HG2 GLU 64 lone 2 96 - 2 - HB3 LYS 119 - HG3 GLU 69 lone 1 81 - 2 - HB3 GLU 73 - HB ILE 63 lone 1 50 - 3 - HB ILE 22 - HG3 GLU 69 lone 1 51 - 3 - HB2 LYS 109 - HG3 GLU 69 lone 1 84 - 2 - HB2 LYS 109 - HG2 GLU 64 lone 1 100 - 1 - HB3 LYS 119 - HG2 GLU 64 lone 1 99 - 1 - HB3 ARG 85 - HG3 GLU 69 lone 1 77 - 1 - HB2 ARG 85 - HG3 GLU 69 lone 1 77 - 1 - HB3 GLU 94 - HG3 GLU 69 lone 1 67 - 1 - HB ILE 22 - HG2 GLU 64 lone 1 68 - 1 - HB2 LYS 109 - HB ILE 63 lone 1 78 - 1 - HB3 GLU 73 - HG3 GLU 69 lone 1 55 - 1 - HB3 MET 11 - HG3 GLU 69 lone 1 66 - 1 - HB3 MET 11 - HG2 GLU 64 lone 1 85 - 1 - HB3 GLU 73 - HG2 GLU 64 lone 0 73 - 1 - HB3 MET 11 - HB ILE 63 lone 0 60 - 1 - HB2 ARG 81 - HG3 GLU 69 lone 0 49 - 0 - Peak 3562 from cnoeabs.peaks (2.07, 2.07, 35.98 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 64 + HG2 GLU 64 OK 100 100 - 100 HB ILE 63 + HB ILE 63 OK 75 75 - 100 HG3 GLU 69 + HG3 GLU 69 OK 66 66 - 100 Peak 3563 from cnoeabs.peaks (2.24, 2.07, 35.98 ppm; 2.42 A): 1 out of 36 assignments used, quality = 1.00: * HG3 GLU 64 + HG2 GLU 64 OK 100 100 - 100 - 1.8=100 HG3 GLU 64 - HB ILE 63 OK 20 78 - 26 - 3568=5, 3564/4.4=4...(11) HB2 PRO 70 - HG3 GLU 69 OK 15 82 - 18 - ~7247=3, ~7250=2, 3812=2...(11) HG2 GLU 56 - HB ILE 63 OK 14 74 - 18 - ~7026=3, 7025/2.1=3...(8) HG3 GLU 15 - HG3 GLU 69 poor 9 74 - 12 - 1931/1.8=2, 1930=2...(5) HG2 GLU 38 - HG2 GLU 64 lone 8 100 - 9 - HG3 GLU 38 - HG2 GLU 64 lone 8 100 - 9 - HG2 GLU 38 - HB ILE 63 poor 8 78 - 10 - 2720=1 HG3 GLU 38 - HB ILE 63 poor 8 77 - 10 - 2720=1 HG2 GLU 94 - HG2 GLU 64 lone 6 100 - 6 - 3568=1 HB2 PRO 70 - HB ILE 63 lone 5 75 - 7 - HG3 GLU 28 - HG2 GLU 64 lone 5 100 - 5 - 3568=1 HG2 GLU 28 - HG2 GLU 64 lone 5 99 - 5 - 3568=1 HB3 PRO 37 - HB ILE 63 lone 5 54 - 9 - HG3 GLU 64 - HG3 GLU 69 lone 4 85 - 5 - HG3 GLU 28 - HB ILE 63 lone 4 77 - 5 - 3568=1 HG2 GLU 28 - HB ILE 63 lone 4 75 - 5 - 3568=1 HG3 GLU 15 - HG2 GLU 64 lone 3 93 - 3 - HB2 PRO 68 - HG3 GLU 69 lone 3 84 - 3 - 3.9/3783=2 HB2 PRO 70 - HG2 GLU 64 lone 3 99 - 3 - HG2 GLU 94 - HB ILE 63 lone 3 78 - 3 - HG3 GLU 15 - HB ILE 63 lone 2 68 - 4 - HB3 PRO 37 - HG2 GLU 64 lone 2 78 - 3 - HB2 PRO 68 - HB ILE 63 lone 2 78 - 3 - HB2 PRO 68 - HG2 GLU 64 lone 2 100 - 2 - HG2 GLU 56 - HG2 GLU 64 lone 2 98 - 2 - HB3 LEU 117 - HG2 GLU 64 lone 1 100 - 1 - HB3 LEU 117 - HB ILE 63 lone 1 77 - 2 - HG2 GLU 38 - HG3 GLU 69 lone 1 84 - 1 - HG3 GLU 38 - HG3 GLU 69 lone 1 84 - 1 - HG2 GLU 94 - HG3 GLU 69 lone 1 84 - 1 - HG3 GLU 28 - HG3 GLU 69 lone 1 83 - 1 - HG2 GLU 28 - HG3 GLU 69 lone 1 82 - 1 - HB3 LEU 117 - HG3 GLU 69 lone 1 84 - 1 - HG2 GLU 56 - HG3 GLU 69 lone 1 80 - 1 - HB3 PRO 37 - HG3 GLU 69 lone 0 60 - 0 - Peak 3564 from cnoeabs.peaks (9.24, 2.24, 35.98 ppm; 3.95 A): 4 out of 4 assignments used, quality = 0.91: * H GLU 64 + HG3 GLU 64 OK 83 100 - 83 - 5.0=49, 3558/1.8=19...(15) H GLU 64 + HG2 GLU 94 OK 21 99 - 22 - 1078=4, 2.9/3545=3...(10) H GLU 64 + HG3 GLU 28 OK 20 99 - 20 - 1078=4, 1078/1.8=3...(8) H GLU 64 + HG2 GLU 28 OK 20 98 - 20 - 1078=4, 1078/1.8=3...(8) Peak 3565 from cnoeabs.peaks (4.26, 2.24, 35.98 ppm; 3.28 A): 2 out of 36 assignments used, quality = 0.96: * HA GLU 64 + HG3 GLU 64 OK 84 100 - 84 - 3.9=61, 3559/1.8=13...(17) HA GLU 94 + HG2 GLU 94 OK 73 94 - 78 - 4.2=49, 4517/1.8=12...(17) HA GLU 64 - HG2 GLU 94 OK 17 99 - 17 - 3545=3, 2.9/3564=3...(7) HA GLU 64 - HG3 GLU 28 OK 15 99 - 15 - 2.9/3564=3, 3545=3...(6) HA GLU 64 - HG2 GLU 28 OK 15 98 - 15 - 2.9/3564=3, 3545=3...(6) HA GLU 94 - HG3 GLU 64 OK 13 96 - 13 - 3559/1.8=2, 3547/3.0=1...(9) HA LEU 58 - HG3 GLU 64 OK 12 99 - 13 - 3545=2, 3559/1.8=2...(5) HA LEU 58 - HG2 GLU 94 lone 10 98 - 10 - 3545=2, 4519/3.0=1...(5) HA GLN 103 - HG2 GLU 94 lone 8 89 - 9 - 4519/3.0=2, 4525/3.0=2 HA GLU 94 - HG3 GLU 28 lone 5 93 - 6 - HA GLU 94 - HG2 GLU 28 lone 5 92 - 6 - HA LEU 58 - HG3 GLU 28 lone 4 98 - 4 - HA LEU 58 - HG2 GLU 28 lone 4 97 - 4 - HA GLN 103 - HG3 GLU 64 lone 3 90 - 4 - HA3 GLY 48 - HG2 GLU 94 lone 3 94 - 3 - 6895/5.0=1 HB THR 19 - HG3 GLU 64 lone 2 97 - 2 - HA ALA 89 - HG3 GLU 64 lone 2 89 - 2 - HA THR 17 - HG3 GLU 64 lone 1 71 - 2 - HA3 GLY 48 - HG3 GLU 64 lone 1 96 - 1 - HB THR 19 - HG2 GLU 94 lone 1 95 - 1 - HA ALA 122 - HG2 GLU 94 lone 1 94 - 1 - HA ALA 122 - HG3 GLU 64 lone 1 96 - 1 - HB THR 19 - HG3 GLU 28 lone 1 94 - 1 - HB THR 19 - HG2 GLU 28 lone 1 93 - 1 - HA THR 17 - HG3 GLU 28 lone 1 68 - 1 - HA THR 17 - HG2 GLU 28 lone 1 67 - 1 - HA GLN 103 - HG3 GLU 28 lone 1 87 - 1 - HA GLN 103 - HG2 GLU 28 lone 1 86 - 1 - HA ALA 89 - HG2 GLU 94 lone 1 87 - 1 - HA ALA 89 - HG3 GLU 28 lone 1 86 - 1 - HA ALA 89 - HG2 GLU 28 lone 1 84 - 1 - HA THR 17 - HG2 GLU 94 lone 0 69 - 1 - HA3 GLY 48 - HG3 GLU 28 lone 0 93 - 0 - HA3 GLY 48 - HG2 GLU 28 lone 0 92 - 0 - HA ALA 122 - HG3 GLU 28 lone 0 93 - 0 - HA ALA 122 - HG2 GLU 28 lone 0 92 - 0 - Peak 3566 from cnoeabs.peaks (1.94, 2.24, 35.98 ppm; 2.56 A): 3 out of 68 assignments used, quality = 0.98: * HB2 GLU 64 + HG3 GLU 64 OK 74 100 - 74 - 3.0=63, 3560/1.8=5...(10) HB3 GLU 64 + HG3 GLU 64 OK 74 100 - 74 - 3.0=63, 3560/1.8=5...(10) HB3 GLU 94 + HG2 GLU 94 OK 64 89 - 73 - 3.0=62, 4529/1.8=11...(10) HB2 GLU 64 - HG2 GLU 94 lone 9 99 - 9 - 4.0/3564=1, 3.0/3545=1 HB3 GLU 64 - HG2 GLU 94 lone 9 99 - 9 - 4.0/3564=1, 3.0/3545=1 HB2 GLU 38 - HG3 GLU 64 lone 8 100 - 8 - 1.8/3568=1 HB2 GLU 38 - HG2 GLU 94 lone 8 99 - 8 - HB ILE 22 - HG3 GLU 28 poor 7 60 - 12 - ~6564=2, 2151/3.0=1, 2.1/6565=1 HB ILE 22 - HG2 GLU 28 poor 7 59 - 12 - ~6564=2, 2151/3.0=1, 2.1/6565=1 HB2 GLU 64 - HG3 GLU 28 lone 7 99 - 7 - 4.0/3564=1 HB3 GLU 64 - HG3 GLU 28 lone 7 99 - 7 - 4.0/3564=1 HB2 GLU 64 - HG2 GLU 28 lone 7 98 - 7 - 4.0/3564=1 HB3 GLU 64 - HG2 GLU 28 lone 7 98 - 7 - 4.0/3564=1 HB3 GLU 94 - HG3 GLU 64 lone 7 90 - 8 - 4528=1, 1.8/4522=1 HB3 ARG 85 - HG2 GLU 94 lone 6 96 - 6 - HB2 ARG 85 - HG2 GLU 94 lone 6 96 - 6 - HB3 GLU 69 - HG3 GLU 64 lone 6 99 - 6 - HB2 GLU 38 - HG3 GLU 28 lone 4 98 - 4 - HB2 GLU 38 - HG2 GLU 28 lone 4 98 - 4 - HB2 LEU 21 - HG3 GLU 64 lone 3 97 - 3 - HG LEU 58 - HG3 GLU 64 lone 3 100 - 3 - HG LEU 58 - HG2 GLU 94 lone 3 99 - 3 - HB3 GLU 94 - HG3 GLU 28 lone 3 87 - 3 - HB3 GLU 94 - HG2 GLU 28 lone 3 86 - 3 - HB2 ARG 85 - HG3 GLU 64 lone 2 97 - 2 - HB3 ARG 85 - HG3 GLU 64 lone 2 97 - 2 - HG LEU 58 - HG3 GLU 28 lone 2 98 - 2 - HG LEU 58 - HG2 GLU 28 lone 2 97 - 2 - HB3 PRO 30 - HG3 GLU 64 lone 1 97 - 2 - HB3 GLU 69 - HG2 GLU 94 lone 1 98 - 1 - HB ILE 80 - HG3 GLU 64 lone 1 92 - 1 - HB2 ARG 81 - HG3 GLU 28 lone 1 57 - 2 - HB3 LYS 119 - HG3 GLU 28 lone 1 98 - 1 - HB2 ARG 81 - HG2 GLU 28 lone 1 56 - 2 - HB3 LYS 119 - HG2 GLU 28 lone 1 97 - 1 - HB ILE 80 - HG3 GLU 28 lone 1 89 - 1 - HB ILE 80 - HG2 GLU 28 lone 1 88 - 1 - HB3 GLU 69 - HG3 GLU 28 lone 1 98 - 1 - HB3 GLU 69 - HG2 GLU 28 lone 1 97 - 1 - HB3 PRO 30 - HG3 GLU 28 lone 1 95 - 1 - HB3 PRO 30 - HG2 GLU 28 lone 1 94 - 1 - HB2 ARG 81 - HG3 GLU 64 lone 1 60 - 2 - HB3 PRO 30 - HG2 GLU 94 lone 1 96 - 1 - HB2 LYS 109 - HG3 GLU 64 lone 1 100 - 1 - HB2 ARG 85 - HG3 GLU 28 lone 1 95 - 1 - HB3 ARG 85 - HG3 GLU 28 lone 1 95 - 1 - HB ILE 80 - HG2 GLU 94 lone 1 90 - 1 - HB3 ARG 85 - HG2 GLU 28 lone 1 94 - 1 - HB2 ARG 85 - HG2 GLU 28 lone 1 94 - 1 - HB2 LEU 21 - HG3 GLU 28 lone 1 94 - 1 - HB2 LEU 21 - HG2 GLU 28 lone 1 93 - 1 - HB2 LYS 109 - HG3 GLU 28 lone 1 99 - 1 - HB2 LYS 109 - HG2 GLU 28 lone 1 98 - 1 - HB3 LYS 119 - HG3 GLU 64 lone 1 99 - 1 - HB3 LYS 119 - HG2 GLU 94 lone 1 98 - 1 - HB3 GLU 73 - HG3 GLU 28 lone 1 65 - 1 - HB3 GLU 73 - HG2 GLU 28 lone 1 64 - 1 - HB2 LYS 109 - HG2 GLU 94 lone 1 99 - 1 - HB3 MET 11 - HG2 GLU 94 lone 1 79 - 1 - HB ILE 22 - HG3 GLU 64 lone 1 63 - 1 - HB2 LEU 21 - HG2 GLU 94 lone 0 95 - 0 - HB3 MET 11 - HG3 GLU 64 lone 0 81 - 1 - HB3 MET 11 - HG3 GLU 28 lone 0 78 - 1 - HB3 MET 11 - HG2 GLU 28 lone 0 76 - 1 - HB3 GLU 73 - HG3 GLU 64 lone 0 68 - 0 - HB ILE 22 - HG2 GLU 94 lone 0 61 - 0 - HB2 ARG 81 - HG2 GLU 94 lone 0 58 - 0 - HB3 GLU 73 - HG2 GLU 94 lone 0 66 - 0 - Peak 3567 from cnoeabs.peaks (1.93, 2.24, 35.98 ppm; 2.56 A): 3 out of 68 assignments used, quality = 0.97: * HB3 GLU 64 + HG3 GLU 64 OK 74 100 - 74 - 3.0=63, 3561/1.8=5...(10) HB2 GLU 64 + HG3 GLU 64 OK 74 100 - 74 - 3.0=63, 3560/1.8=5...(10) HB3 GLU 94 + HG2 GLU 94 OK 62 85 - 72 - 3.0=62, 4529/1.8=10...(10) HB2 GLU 64 - HG2 GLU 94 lone 9 99 - 9 - 4.0/3564=1, 3.0/3545=1 HB3 GLU 64 - HG2 GLU 94 lone 9 99 - 9 - 4.0/3564=1, 3.0/3545=1 HB2 GLU 38 - HG3 GLU 64 lone 8 99 - 8 - 1.8/3568=1 HB ILE 22 - HG3 GLU 28 poor 8 65 - 13 - ~6564=2, 2151/3.0=1, 2.1/6565=1 HB ILE 22 - HG2 GLU 28 poor 8 64 - 13 - ~6564=2, 2151/3.0=1, 2.1/6565=1 HB2 GLU 38 - HG2 GLU 94 lone 8 98 - 8 - HB3 GLU 64 - HG3 GLU 28 lone 7 99 - 7 - 4.0/3564=1 HB2 GLU 64 - HG3 GLU 28 lone 7 99 - 7 - 4.0/3564=1 HB3 GLU 64 - HG2 GLU 28 lone 7 98 - 7 - 4.0/3564=1 HB2 GLU 64 - HG2 GLU 28 lone 7 98 - 7 - 4.0/3564=1 HB3 GLU 94 - HG3 GLU 64 lone 6 87 - 8 - 1.8/4522=1, 4528=1 HB3 ARG 85 - HG2 GLU 94 lone 6 94 - 6 - HB2 ARG 85 - HG2 GLU 94 lone 6 94 - 6 - HB3 GLU 69 - HG3 GLU 64 lone 6 99 - 6 - HB2 GLU 38 - HG3 GLU 28 lone 4 98 - 4 - HB2 GLU 38 - HG2 GLU 28 lone 4 97 - 4 - HB2 LEU 21 - HG3 GLU 64 lone 3 98 - 3 - HG LEU 58 - HG3 GLU 64 lone 3 100 - 3 - HG LEU 58 - HG2 GLU 94 lone 3 99 - 3 - HB3 GLU 94 - HG3 GLU 28 lone 3 84 - 3 - HB3 GLU 94 - HG2 GLU 28 lone 3 83 - 3 - HB2 ARG 85 - HG3 GLU 64 lone 2 96 - 2 - HB3 ARG 85 - HG3 GLU 64 lone 2 96 - 2 - HG LEU 58 - HG3 GLU 28 lone 2 99 - 2 - HG LEU 58 - HG2 GLU 28 lone 2 98 - 2 - HB3 PRO 30 - HG3 GLU 64 lone 1 96 - 1 - HB2 ARG 81 - HG3 GLU 28 lone 1 63 - 2 - HB2 ARG 81 - HG2 GLU 28 lone 1 62 - 2 - HB3 GLU 69 - HG2 GLU 94 lone 1 97 - 1 - HB ILE 80 - HG3 GLU 64 lone 1 95 - 1 - HB ILE 80 - HG3 GLU 28 lone 1 92 - 1 - HB ILE 80 - HG2 GLU 28 lone 1 91 - 1 - HB3 LYS 119 - HG3 GLU 28 lone 1 97 - 1 - HB3 LYS 119 - HG2 GLU 28 lone 1 96 - 1 - HB2 ARG 81 - HG3 GLU 64 lone 1 65 - 2 - HB3 GLU 69 - HG3 GLU 28 lone 1 97 - 1 - HB3 GLU 69 - HG2 GLU 28 lone 1 96 - 1 - HB3 PRO 30 - HG3 GLU 28 lone 1 93 - 1 - HB3 PRO 30 - HG2 GLU 28 lone 1 92 - 1 - HB2 LEU 21 - HG3 GLU 28 lone 1 96 - 1 - HB2 LEU 21 - HG2 GLU 28 lone 1 95 - 1 - HB2 LYS 109 - HG3 GLU 64 lone 1 100 - 1 - HB3 PRO 30 - HG2 GLU 94 lone 1 94 - 1 - HB ILE 80 - HG2 GLU 94 lone 1 93 - 1 - HB2 ARG 85 - HG3 GLU 28 lone 1 93 - 1 - HB3 ARG 85 - HG3 GLU 28 lone 1 93 - 1 - HB3 GLU 73 - HG3 GLU 28 lone 1 70 - 1 - HB3 ARG 85 - HG2 GLU 28 lone 1 92 - 1 - HB2 ARG 85 - HG2 GLU 28 lone 1 92 - 1 - HB3 GLU 73 - HG2 GLU 28 lone 1 69 - 1 - HB2 LYS 109 - HG3 GLU 28 lone 1 99 - 1 - HB2 LYS 109 - HG2 GLU 28 lone 1 98 - 1 - HB3 LYS 119 - HG3 GLU 64 lone 1 99 - 1 - HB3 LYS 119 - HG2 GLU 94 lone 1 97 - 1 - HB3 MET 11 - HG2 GLU 94 lone 1 83 - 1 - HB2 LYS 109 - HG2 GLU 94 lone 1 99 - 1 - HB ILE 22 - HG3 GLU 64 lone 1 68 - 1 - HB2 LEU 21 - HG2 GLU 94 lone 0 97 - 0 - HB3 MET 11 - HG3 GLU 28 lone 0 82 - 1 - HB3 MET 11 - HG2 GLU 28 lone 0 81 - 1 - HB3 MET 11 - HG3 GLU 64 lone 0 85 - 1 - HB3 GLU 73 - HG3 GLU 64 lone 0 73 - 0 - HB ILE 22 - HG2 GLU 94 lone 0 66 - 0 - HB2 ARG 81 - HG2 GLU 94 lone 0 64 - 0 - HB3 GLU 73 - HG2 GLU 94 lone 0 72 - 0 - Peak 3568 from cnoeabs.peaks (2.07, 2.24, 35.98 ppm; 2.44 A): 1 out of 60 assignments used, quality = 1.00: * HG2 GLU 64 + HG3 GLU 64 OK 100 100 - 100 - 1.8=100 HB ILE 63 - HG3 GLU 64 OK 25 99 - 25 - 3563=4, 4.4/3564=4...(11) HB3 GLU 38 - HG3 GLU 64 lone 8 96 - 8 - HB3 GLU 38 - HG2 GLU 94 lone 6 94 - 7 - HG2 GLU 64 - HG2 GLU 94 lone 6 99 - 6 - 3563=1 HB2 LEU 114 - HG2 GLU 94 lone 5 96 - 5 - HG2 GLU 64 - HG3 GLU 28 lone 5 99 - 5 - 3563=1 HG2 GLU 64 - HG2 GLU 28 lone 5 98 - 5 - HB ILE 63 - HG3 GLU 28 lone 5 97 - 5 - HB ILE 63 - HG2 GLU 28 lone 5 96 - 5 - HG3 PRO 37 - HG3 GLU 28 lone 4 75 - 6 - HG3 PRO 37 - HG2 GLU 28 lone 4 74 - 6 - HG3 GLU 69 - HG3 GLU 64 lone 4 85 - 5 - HB2 GLU 15 - HG3 GLU 64 lone 4 92 - 4 - HB3 GLU 38 - HG3 GLU 28 lone 4 93 - 4 - HB3 GLU 38 - HG2 GLU 28 lone 4 92 - 4 - HB2 ARG 57 - HG3 GLU 64 lone 3 100 - 3 - HB ILE 63 - HG2 GLU 94 lone 3 97 - 3 - HG LEU 21 - HG3 GLU 64 lone 3 97 - 3 - HB2 LEU 114 - HG3 GLU 64 lone 2 97 - 2 - HB3 ARG 81 - HG3 GLU 28 lone 2 80 - 2 - HB3 ARG 81 - HG2 GLU 28 lone 2 78 - 2 - HB2 GLU 15 - HG3 GLU 28 lone 2 89 - 2 - HB3 ARG 81 - HG3 GLU 64 lone 2 83 - 2 - HB2 GLU 15 - HG2 GLU 28 lone 2 88 - 2 - HB2 GLU 15 - HG2 GLU 94 lone 2 90 - 2 - HG3 PRO 37 - HG3 GLU 64 lone 2 78 - 2 - HB2 GLN 16 - HG3 GLU 64 lone 1 99 - 1 - HB3 GLN 16 - HG3 GLU 64 lone 1 99 - 1 - HB2 GLN 105 - HG2 GLU 94 lone 1 99 - 1 - HB2 LEU 114 - HG3 GLU 28 lone 1 95 - 1 - HB2 LEU 114 - HG2 GLU 28 lone 1 94 - 1 - HB2 GLN 105 - HG3 GLU 64 lone 1 100 - 1 - HG3 GLU 69 - HG2 GLU 94 lone 1 83 - 1 - HG LEU 21 - HG3 GLU 28 lone 1 94 - 1 - HG LEU 21 - HG2 GLU 28 lone 1 93 - 1 - HB2 ARG 57 - HG3 GLU 28 lone 1 99 - 1 - HB2 ARG 57 - HG2 GLU 94 lone 1 99 - 1 - HB2 ARG 57 - HG2 GLU 28 lone 1 98 - 1 - HG3 PRO 37 - HG2 GLU 94 lone 1 76 - 1 - HG3 GLU 69 - HG3 GLU 28 lone 1 82 - 1 - HG3 GLU 69 - HG2 GLU 28 lone 1 81 - 1 - HG3 PRO 60 - HG2 GLU 94 lone 1 66 - 1 - HB2 LEU 101 - HG3 GLU 64 lone 1 63 - 1 - HG3 PRO 60 - HG3 GLU 64 lone 1 68 - 1 - HG3 PRO 60 - HG3 GLU 28 lone 1 65 - 1 - HG3 PRO 60 - HG2 GLU 28 lone 0 64 - 1 - HB2 GLN 16 - HG3 GLU 28 lone 0 97 - 0 - HB2 GLN 16 - HG2 GLU 94 lone 0 98 - 0 - HB3 GLN 16 - HG2 GLU 94 lone 0 97 - 0 - HB3 GLN 16 - HG3 GLU 28 lone 0 97 - 0 - HB2 GLN 16 - HG2 GLU 28 lone 0 96 - 0 - HG LEU 21 - HG2 GLU 94 lone 0 95 - 0 - HB2 GLN 105 - HG3 GLU 28 lone 0 98 - 0 - HB3 GLN 16 - HG2 GLU 28 lone 0 96 - 0 - HB2 GLN 105 - HG2 GLU 28 lone 0 97 - 0 - HB3 ARG 81 - HG2 GLU 94 lone 0 81 - 0 - HB2 LEU 101 - HG2 GLU 94 lone 0 61 - 0 - HB2 LEU 101 - HG3 GLU 28 lone 0 60 - 0 - HB2 LEU 101 - HG2 GLU 28 lone 0 59 - 0 - Peak 3569 from cnoeabs.peaks (2.24, 2.24, 35.98 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 64 + HG3 GLU 64 OK 100 100 - 100 HG2 GLU 94 + HG2 GLU 94 OK 99 99 - 100 HG3 GLU 28 + HG3 GLU 28 OK 98 98 - 100 HG2 GLU 28 + HG2 GLU 28 OK 96 96 - 100 Peak 3570 from cnoeabs.peaks (7.21, 4.29, 55.54 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 QD TYR 67 + HA LYS 65 OK 46 93 - 49 - 2.2/4683=10, 4682=9...(15) QD TYR 102 - HA LYS 65 OK 31 98 - 31 - 4827=4, 4825/3.0=3...(13) QD PHE 107 - HA LYS 65 OK 11 68 - 17 - 7205/4.7=2, 305/3.6=2...(5) QE PHE 40 - HA LYS 65 OK 10 99 - 10 - Peak 3571 from cnoeabs.peaks (4.29, 4.29, 55.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 65 + HA LYS 65 OK 100 100 - 100 Peak 3572 from cnoeabs.peaks (1.54, 4.29, 55.54 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 * HB2 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 46 - HA LYS 65 OK 28 90 - 31 - 1082/3.0=4, 1.8/3577=3...(15) HG12 ILE 124 - HA LYS 65 OK 18 99 - 18 - ~5366=2, ~5373=2...(9) HG3 LYS 109 - HA LYS 65 lone 8 100 - 8 - ~8757=1 Peak 3573 from cnoeabs.peaks (1.54, 4.29, 55.54 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 46 - HA LYS 65 OK 28 90 - 31 - 1082/3.0=4, 1.8/3577=3...(15) HG12 ILE 124 - HA LYS 65 OK 18 99 - 18 - ~5366=2, ~5373=2...(9) HG3 LYS 109 - HA LYS 65 lone 8 100 - 8 - ~8757=1 Peak 3574 from cnoeabs.peaks (0.98, 4.29, 55.54 ppm; 3.50 A): 2 out of 9 assignments used, quality = 0.99: * HG2 LYS 65 + HA LYS 65 OK 89 100 - 89 - 4.0=69, 1.8/3601=9...(29) HG3 LYS 65 + HA LYS 65 OK 89 100 - 89 - 4.0=69, 1.8/3601=9...(29) QD1 LEU 101 - HA LYS 65 OK 20 100 - 20 - 8152/3.0=4, 3.1/3577=2...(4) QG2 ILE 124 - HA LYS 65 OK 19 76 - 26 - 5352/3.0=4, 5352/3.0=4...(12) QD2 LEU 58 - HA LYS 65 lone 9 95 - 10 - 6348/3.0=2 QG2 THR 95 - HA LYS 65 lone 9 99 - 9 - 4.1/7642=2, 309/3.6=1 QD1 LEU 58 - HA LYS 65 poor 8 81 - 10 - 1083/3.0=1, ~6348=1 QG1 VAL 18 - HA LYS 65 lone 8 100 - 7 - 6348/3.0=2, ~6350=2 HB3 LEU 27 - HA LYS 65 lone 3 68 - 5 - Peak 3575 from cnoeabs.peaks (0.98, 4.29, 55.54 ppm; 3.50 A): 2 out of 9 assignments used, quality = 0.99: HG2 LYS 65 + HA LYS 65 OK 89 100 - 89 - 4.0=69, 1.8/3601=9...(29) * HG3 LYS 65 + HA LYS 65 OK 89 100 - 89 - 4.0=69, 1.8/3601=9...(29) QD1 LEU 101 - HA LYS 65 OK 20 100 - 20 - 8152/3.0=4, 3.1/3577=2...(4) QG2 ILE 124 - HA LYS 65 OK 19 76 - 26 - 5352/3.0=4, 5352/3.0=4...(12) QD2 LEU 58 - HA LYS 65 lone 9 95 - 10 - 6348/3.0=2 QG2 THR 95 - HA LYS 65 lone 9 99 - 9 - 4.1/7642=2, 309/3.6=1 QD1 LEU 58 - HA LYS 65 poor 8 81 - 10 - 1083/3.0=1, ~6348=1 QG1 VAL 18 - HA LYS 65 lone 8 100 - 7 - 6348/3.0=2, ~6350=2 HB3 LEU 27 - HA LYS 65 lone 3 68 - 5 - Peak 3576 from cnoeabs.peaks (1.44, 4.29, 55.54 ppm; 3.66 A): 2 out of 16 assignments used, quality = 0.96: * HD2 LYS 65 + HA LYS 65 OK 81 100 - 81 - 5.4=32, 1.8/3621=11...(32) HD3 LYS 65 + HA LYS 65 OK 81 100 - 81 - 5.4=32, 1.8/3621=11...(32) HD2 LYS 46 - HA LYS 65 OK 39 92 - 42 - 1.8/3572=5, 2976/3.0=4...(21) HB3 GLU 75 - HA LYS 65 OK 24 99 - 24 - 3.0/6094=5, 3.0/7167=4...(8) HB3 LEU 101 - HA LYS 65 OK 24 100 - 24 - 4663/4.0=3, 4663/4.0=3...(11) QB ALA 89 - HA LYS 65 OK 14 100 - 14 - 2.9/5674=4, 4357/3.6=2...(4) HB3 LEU 91 - HA LYS 65 OK 12 93 - 13 - 312/3.6=3, 3.1/7166=2 HB3 LEU 45 - HA LYS 65 lone 9 99 - 9 - 6840/4.0=2, 6840/4.0=2 HB2 LEU 93 - HA LYS 65 poor 8 78 - 10 - 3.1/7166=2, 7610/4.0=1 HG LEU 24 - HA LYS 65 lone 5 99 - 5 - 2.1/7167=2 QB ALA 98 - HA LYS 65 lone 4 83 - 4 - HB2 LEU 51 - HA LYS 65 lone 3 76 - 4 - ~6939=1 HG2 LYS 119 - HA LYS 65 lone 3 89 - 3 - QB ALA 14 - HA LYS 65 lone 2 78 - 3 - HG3 ARG 57 - HA LYS 65 lone 2 73 - 3 - HG3 LYS 31 - HA LYS 65 lone 1 83 - 1 - Peak 3577 from cnoeabs.peaks (1.44, 4.29, 55.54 ppm; 3.66 A): 2 out of 16 assignments used, quality = 0.96: HD2 LYS 65 + HA LYS 65 OK 81 100 - 81 - 5.4=32, 1.8/3621=11...(32) * HD3 LYS 65 + HA LYS 65 OK 81 100 - 81 - 5.4=32, 1.8/3621=11...(32) HD2 LYS 46 - HA LYS 65 OK 39 92 - 42 - 1.8/3572=5, 2976/3.0=4...(21) HB3 GLU 75 - HA LYS 65 OK 24 99 - 24 - 3.0/6094=5, 3.0/7167=4...(8) HB3 LEU 101 - HA LYS 65 OK 24 100 - 24 - 4663/4.0=3, 4663/4.0=3...(11) QB ALA 89 - HA LYS 65 OK 14 100 - 14 - 2.9/5674=4, 4357/3.6=2...(4) HB3 LEU 91 - HA LYS 65 OK 12 93 - 13 - 312/3.6=3, 3.1/7166=2 HB3 LEU 45 - HA LYS 65 lone 9 99 - 9 - 6840/4.0=2, 6840/4.0=2 HB2 LEU 93 - HA LYS 65 poor 8 78 - 10 - 3.1/7166=2, 7610/4.0=1 HG LEU 24 - HA LYS 65 lone 5 99 - 5 - 2.1/7167=2 QB ALA 98 - HA LYS 65 lone 4 83 - 4 - HB2 LEU 51 - HA LYS 65 lone 3 76 - 4 - ~6939=1 HG2 LYS 119 - HA LYS 65 lone 3 89 - 3 - QB ALA 14 - HA LYS 65 lone 2 78 - 3 - HG3 ARG 57 - HA LYS 65 lone 2 73 - 3 - HG3 LYS 31 - HA LYS 65 lone 1 83 - 1 - Peak 3580 from cnoeabs.peaks (7.21, 1.54, 33.77 ppm; 3.62 A): 2 out of 10 assignments used, quality = 0.98: * H LYS 65 + HB2 LYS 65 OK 87 100 - 87 - 4.0=72, 1082/1.8=17...(13) H LYS 65 + HB3 LYS 65 OK 87 100 - 87 - 4.0=72, 1082/1.8=17...(13) QD TYR 67 - HB3 LYS 65 OK 38 93 - 41 - 4682/3.0=7, ~4683=4...(12) QD TYR 67 - HB2 LYS 65 OK 38 93 - 41 - 4682/3.0=7, ~4683=4...(12) QD TYR 102 - HB2 LYS 65 OK 28 98 - 29 - 3570/3.0=4, 2.2/4823=4...(10) QD TYR 102 - HB3 LYS 65 OK 28 98 - 29 - 3570/3.0=4, 2.2/4823=4...(10) QD PHE 107 - HB2 LYS 65 poor 9 68 - 13 - 4807/3.0=2, 4807/3.0=2...(6) QD PHE 107 - HB3 LYS 65 poor 9 68 - 13 - 4807/3.0=2, 4807/3.0=2...(6) QE PHE 40 - HB2 LYS 65 lone 8 99 - 8 - 3570/3.0=1, 4680/3.0=1 QE PHE 40 - HB3 LYS 65 lone 8 99 - 8 - 3570/3.0=1, 4680/3.0=1 Peak 3581 from cnoeabs.peaks (4.29, 1.54, 33.77 ppm; 3.47 A): 2 out of 14 assignments used, quality = 1.00: HA LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 * HA LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HA LEU 114 - HB3 LYS 65 OK 25 100 - 25 - 306/4.7=3, 1080/4.0=3...(14) HA LEU 114 - HB2 LYS 65 OK 25 100 - 25 - 306/4.7=3, 1080/4.0=3...(14) HB3 SER 113 - HB2 LYS 65 OK 20 99 - 21 - 7936/3.0=3, 7936/3.0=3...(9) HB3 SER 113 - HB3 LYS 65 OK 20 99 - 21 - 7936/3.0=3, 7936/3.0=3...(9) HB2 SER 78 - HB2 LYS 65 OK 11 98 - 11 - 7363/4.0=3, ~4042=2 HB2 SER 78 - HB3 LYS 65 OK 11 98 - 11 - 7363/4.0=3, ~4042=2 HA GLN 103 - HB2 LYS 65 poor 9 90 - 10 - 1080/4.0=2, ~4733=1, ~4725=1 HA GLN 103 - HB3 LYS 65 poor 9 90 - 10 - 1080/4.0=2, ~4733=1, ~4725=1 HA GLU 94 - HB2 LYS 65 lone 5 83 - 6 - HA GLU 94 - HB3 LYS 65 lone 5 83 - 6 - HA ALA 122 - HB3 LYS 65 lone 3 83 - 4 - 3.6/8100=2 HA ALA 122 - HB2 LYS 65 lone 3 83 - 4 - 3.6/8100=2 Peak 3582 from cnoeabs.peaks (1.54, 1.54, 33.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 * HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 Peak 3583 from cnoeabs.peaks (1.54, 1.54, 33.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 Reference assignment not found: HB3 LYS 65 - HB2 LYS 65 Peak 3584 from cnoeabs.peaks (0.98, 1.54, 33.77 ppm; 3.19 A): 4 out of 18 assignments used, quality = 1.00: HG2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 * HG2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 QG2 ILE 124 - HB2 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QG2 ILE 124 - HB3 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QD1 LEU 101 - HB2 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD1 LEU 101 - HB3 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD2 LEU 58 - HB2 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD2 LEU 58 - HB3 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD1 LEU 58 - HB2 LYS 65 lone 6 81 - 7 - QD1 LEU 58 - HB3 LYS 65 lone 6 81 - 7 - QG1 VAL 18 - HB2 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG1 VAL 18 - HB3 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG2 THR 95 - HB2 LYS 65 lone 4 99 - 4 - QG2 THR 95 - HB3 LYS 65 lone 4 99 - 4 - HB3 LEU 27 - HB3 LYS 65 lone 2 68 - 2 - HB3 LEU 27 - HB2 LYS 65 lone 2 68 - 2 - Peak 3585 from cnoeabs.peaks (0.98, 1.54, 33.77 ppm; 3.19 A): 4 out of 18 assignments used, quality = 1.00: HG2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 * HG3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 QG2 ILE 124 - HB2 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QG2 ILE 124 - HB3 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QD1 LEU 101 - HB2 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD1 LEU 101 - HB3 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD2 LEU 58 - HB2 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD2 LEU 58 - HB3 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD1 LEU 58 - HB2 LYS 65 lone 6 81 - 7 - QD1 LEU 58 - HB3 LYS 65 lone 6 81 - 7 - QG1 VAL 18 - HB2 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG1 VAL 18 - HB3 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG2 THR 95 - HB2 LYS 65 lone 4 99 - 4 - QG2 THR 95 - HB3 LYS 65 lone 4 99 - 4 - HB3 LEU 27 - HB3 LYS 65 lone 2 68 - 2 - HB3 LEU 27 - HB2 LYS 65 lone 2 68 - 2 - Peak 3586 from cnoeabs.peaks (1.44, 1.54, 33.77 ppm; 3.60 A): 6 out of 32 assignments used, quality = 1.00: HD2 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) * HD2 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD3 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD3 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD2 LYS 46 + HB2 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HD2 LYS 46 + HB3 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HB3 LEU 101 - HB2 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 101 - HB3 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 45 - HB2 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) HB3 LEU 45 - HB3 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) QB ALA 89 - HB2 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) QB ALA 89 - HB3 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) HB3 GLU 75 - HB2 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 GLU 75 - HB3 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 LEU 91 - HB2 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB3 LEU 91 - HB3 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB2 LEU 93 - HB2 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HB2 LEU 93 - HB3 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HG LEU 24 - HB3 LYS 65 lone 5 99 - 5 - HG LEU 24 - HB2 LYS 65 lone 5 99 - 5 - HG2 LYS 119 - HB3 LYS 65 lone 3 89 - 4 - HG2 LYS 119 - HB2 LYS 65 lone 3 89 - 4 - QB ALA 98 - HB3 LYS 65 lone 2 83 - 3 - QB ALA 98 - HB2 LYS 65 lone 2 83 - 3 - QB ALA 14 - HB3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HB2 LYS 65 lone 2 78 - 2 - HB2 LEU 51 - HB3 LYS 65 lone 2 76 - 2 - HB2 LEU 51 - HB2 LYS 65 lone 2 76 - 2 - HG3 ARG 57 - HB3 LYS 65 lone 1 73 - 2 - HG3 ARG 57 - HB2 LYS 65 lone 1 73 - 2 - HG3 LYS 31 - HB2 LYS 65 lone 1 83 - 2 - HG3 LYS 31 - HB3 LYS 65 lone 1 83 - 2 - Peak 3587 from cnoeabs.peaks (1.44, 1.54, 33.77 ppm; 3.60 A): 6 out of 32 assignments used, quality = 1.00: HD2 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD2 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD3 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) * HD3 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD2 LYS 46 + HB2 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HD2 LYS 46 + HB3 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HB3 LEU 101 - HB2 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 101 - HB3 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 45 - HB2 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) HB3 LEU 45 - HB3 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) QB ALA 89 - HB2 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) QB ALA 89 - HB3 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) HB3 GLU 75 - HB2 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 GLU 75 - HB3 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 LEU 91 - HB2 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB3 LEU 91 - HB3 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB2 LEU 93 - HB2 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HB2 LEU 93 - HB3 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HG LEU 24 - HB3 LYS 65 lone 5 99 - 5 - HG LEU 24 - HB2 LYS 65 lone 5 99 - 5 - HG2 LYS 119 - HB3 LYS 65 lone 3 89 - 4 - HG2 LYS 119 - HB2 LYS 65 lone 3 89 - 4 - QB ALA 98 - HB3 LYS 65 lone 2 83 - 3 - QB ALA 98 - HB2 LYS 65 lone 2 83 - 3 - QB ALA 14 - HB3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HB2 LYS 65 lone 2 78 - 2 - HB2 LEU 51 - HB3 LYS 65 lone 2 76 - 2 - HB2 LEU 51 - HB2 LYS 65 lone 2 76 - 2 - HG3 ARG 57 - HB3 LYS 65 lone 1 73 - 2 - HG3 ARG 57 - HB2 LYS 65 lone 1 73 - 2 - HG3 LYS 31 - HB2 LYS 65 lone 1 83 - 2 - HG3 LYS 31 - HB3 LYS 65 lone 1 83 - 2 - Peak 3590 from cnoeabs.peaks (7.21, 1.54, 33.77 ppm; 3.62 A): 2 out of 10 assignments used, quality = 0.98: H LYS 65 + HB2 LYS 65 OK 87 100 - 87 - 4.0=72, 1082/1.8=17...(13) * H LYS 65 + HB3 LYS 65 OK 87 100 - 87 - 4.0=72, 1082/1.8=17...(13) QD TYR 67 - HB3 LYS 65 OK 38 93 - 41 - 4682/3.0=7, ~4683=4...(12) QD TYR 67 - HB2 LYS 65 OK 38 93 - 41 - 4682/3.0=7, ~4683=4...(12) QD TYR 102 - HB2 LYS 65 OK 28 98 - 29 - 3570/3.0=4, 2.2/4823=4...(10) QD TYR 102 - HB3 LYS 65 OK 28 98 - 29 - 3570/3.0=4, 2.2/4823=4...(10) QD PHE 107 - HB2 LYS 65 poor 9 68 - 13 - 4807/3.0=2, 4807/3.0=2...(6) QD PHE 107 - HB3 LYS 65 poor 9 68 - 13 - 4807/3.0=2, 4807/3.0=2...(6) QE PHE 40 - HB2 LYS 65 lone 8 99 - 8 - 3570/3.0=1, 4680/3.0=1 QE PHE 40 - HB3 LYS 65 lone 8 99 - 8 - 3570/3.0=1, 4680/3.0=1 Peak 3591 from cnoeabs.peaks (4.29, 1.54, 33.77 ppm; 3.47 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HA LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HA LEU 114 - HB3 LYS 65 OK 25 100 - 25 - 306/4.7=3, 1080/4.0=3...(14) HA LEU 114 - HB2 LYS 65 OK 25 100 - 25 - 306/4.7=3, 1080/4.0=3...(14) HB3 SER 113 - HB2 LYS 65 OK 20 99 - 21 - 7936/3.0=3, 7936/3.0=3...(9) HB3 SER 113 - HB3 LYS 65 OK 20 99 - 21 - 7936/3.0=3, 7936/3.0=3...(9) HB2 SER 78 - HB2 LYS 65 OK 11 98 - 11 - 7363/4.0=3, ~4042=2 HB2 SER 78 - HB3 LYS 65 OK 11 98 - 11 - 7363/4.0=3, ~4042=2 HA GLN 103 - HB2 LYS 65 poor 9 90 - 10 - 1080/4.0=2, ~4733=1, ~4725=1 HA GLN 103 - HB3 LYS 65 poor 9 90 - 10 - 1080/4.0=2, ~4733=1, ~4725=1 HA GLU 94 - HB2 LYS 65 lone 5 83 - 6 - HA GLU 94 - HB3 LYS 65 lone 5 83 - 6 - HA ALA 122 - HB3 LYS 65 lone 3 83 - 4 - 3.6/8100=2 HA ALA 122 - HB2 LYS 65 lone 3 83 - 4 - 3.6/8100=2 Peak 3592 from cnoeabs.peaks (1.54, 1.54, 33.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 Reference assignment not found: HB2 LYS 65 - HB3 LYS 65 Peak 3593 from cnoeabs.peaks (1.54, 1.54, 33.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 Peak 3594 from cnoeabs.peaks (0.98, 1.54, 33.77 ppm; 3.19 A): 4 out of 18 assignments used, quality = 1.00: * HG2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 QG2 ILE 124 - HB2 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QG2 ILE 124 - HB3 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QD1 LEU 101 - HB2 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD1 LEU 101 - HB3 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD2 LEU 58 - HB2 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD2 LEU 58 - HB3 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD1 LEU 58 - HB2 LYS 65 lone 6 81 - 7 - QD1 LEU 58 - HB3 LYS 65 lone 6 81 - 7 - QG1 VAL 18 - HB2 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG1 VAL 18 - HB3 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG2 THR 95 - HB2 LYS 65 lone 4 99 - 4 - QG2 THR 95 - HB3 LYS 65 lone 4 99 - 4 - HB3 LEU 27 - HB3 LYS 65 lone 2 68 - 2 - HB3 LEU 27 - HB2 LYS 65 lone 2 68 - 2 - Peak 3595 from cnoeabs.peaks (0.98, 1.54, 33.77 ppm; 3.19 A): 4 out of 18 assignments used, quality = 1.00: HG2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 * HG3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 QG2 ILE 124 - HB2 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QG2 ILE 124 - HB3 LYS 65 OK 32 76 - 42 - 2.1/5345=6, 5352=5...(14) QD1 LEU 101 - HB2 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD1 LEU 101 - HB3 LYS 65 OK 18 100 - 18 - 8152/4.0=2, 3574/3.0=2...(4) QD2 LEU 58 - HB2 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD2 LEU 58 - HB3 LYS 65 lone 7 95 - 8 - 6348/4.0=1 QD1 LEU 58 - HB2 LYS 65 lone 6 81 - 7 - QD1 LEU 58 - HB3 LYS 65 lone 6 81 - 7 - QG1 VAL 18 - HB2 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG1 VAL 18 - HB3 LYS 65 lone 5 100 - 5 - 6348/4.0=1 QG2 THR 95 - HB2 LYS 65 lone 4 99 - 4 - QG2 THR 95 - HB3 LYS 65 lone 4 99 - 4 - HB3 LEU 27 - HB3 LYS 65 lone 2 68 - 2 - HB3 LEU 27 - HB2 LYS 65 lone 2 68 - 2 - Peak 3596 from cnoeabs.peaks (1.44, 1.54, 33.77 ppm; 3.60 A): 6 out of 32 assignments used, quality = 1.00: * HD2 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD2 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD3 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD3 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD2 LYS 46 + HB2 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HD2 LYS 46 + HB3 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HB3 LEU 101 - HB2 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 101 - HB3 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 45 - HB2 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) HB3 LEU 45 - HB3 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) QB ALA 89 - HB2 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) QB ALA 89 - HB3 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) HB3 GLU 75 - HB2 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 GLU 75 - HB3 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 LEU 91 - HB2 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB3 LEU 91 - HB3 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB2 LEU 93 - HB2 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HB2 LEU 93 - HB3 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HG LEU 24 - HB3 LYS 65 lone 5 99 - 5 - HG LEU 24 - HB2 LYS 65 lone 5 99 - 5 - HG2 LYS 119 - HB3 LYS 65 lone 3 89 - 4 - HG2 LYS 119 - HB2 LYS 65 lone 3 89 - 4 - QB ALA 98 - HB3 LYS 65 lone 2 83 - 3 - QB ALA 98 - HB2 LYS 65 lone 2 83 - 3 - QB ALA 14 - HB3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HB2 LYS 65 lone 2 78 - 2 - HB2 LEU 51 - HB3 LYS 65 lone 2 76 - 2 - HB2 LEU 51 - HB2 LYS 65 lone 2 76 - 2 - HG3 ARG 57 - HB3 LYS 65 lone 1 73 - 2 - HG3 ARG 57 - HB2 LYS 65 lone 1 73 - 2 - HG3 LYS 31 - HB2 LYS 65 lone 1 83 - 2 - HG3 LYS 31 - HB3 LYS 65 lone 1 83 - 2 - Peak 3597 from cnoeabs.peaks (1.44, 1.54, 33.77 ppm; 3.60 A): 6 out of 32 assignments used, quality = 1.00: HD2 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD2 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) * HD3 LYS 65 + HB3 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD3 LYS 65 + HB2 LYS 65 OK 97 100 - 97 - 3.8=89, 3631/3.0=8...(29) HD2 LYS 46 + HB2 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HD2 LYS 46 + HB3 LYS 65 OK 49 92 - 54 - 2976/1.8=5, 2976=5...(35) HB3 LEU 101 - HB2 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 101 - HB3 LYS 65 OK 21 100 - 21 - 4663/3.0=3, 4663/3.0=3...(6) HB3 LEU 45 - HB2 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) HB3 LEU 45 - HB3 LYS 65 OK 13 99 - 13 - 6840/3.0=3, 6840/3.0=3...(4) QB ALA 89 - HB2 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) QB ALA 89 - HB3 LYS 65 OK 12 100 - 12 - 2.9/5676=1, 3576/3.0=1...(4) HB3 GLU 75 - HB2 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 GLU 75 - HB3 LYS 65 OK 12 99 - 12 - 8332/4.0=2, ~7167=2...(5) HB3 LEU 91 - HB2 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB3 LEU 91 - HB3 LYS 65 lone 9 93 - 10 - 5790/4.7=2, 3576/3.0=1 HB2 LEU 93 - HB2 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HB2 LEU 93 - HB3 LYS 65 poor 9 78 - 11 - 7610/3.0=1, 7610/3.0=1...(4) HG LEU 24 - HB3 LYS 65 lone 5 99 - 5 - HG LEU 24 - HB2 LYS 65 lone 5 99 - 5 - HG2 LYS 119 - HB3 LYS 65 lone 3 89 - 4 - HG2 LYS 119 - HB2 LYS 65 lone 3 89 - 4 - QB ALA 98 - HB3 LYS 65 lone 2 83 - 3 - QB ALA 98 - HB2 LYS 65 lone 2 83 - 3 - QB ALA 14 - HB3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HB2 LYS 65 lone 2 78 - 2 - HB2 LEU 51 - HB3 LYS 65 lone 2 76 - 2 - HB2 LEU 51 - HB2 LYS 65 lone 2 76 - 2 - HG3 ARG 57 - HB3 LYS 65 lone 1 73 - 2 - HG3 ARG 57 - HB2 LYS 65 lone 1 73 - 2 - HG3 LYS 31 - HB2 LYS 65 lone 1 83 - 2 - HG3 LYS 31 - HB3 LYS 65 lone 1 83 - 2 - Peak 3600 from cnoeabs.peaks (7.21, 0.98, 23.76 ppm; 4.51 A): 4 out of 10 assignments used, quality = 1.00: * H LYS 65 + HG2 LYS 65 OK 96 100 - 96 - 4.9=77, 1081/3.0=17...(18) H LYS 65 + HG3 LYS 65 OK 96 100 - 96 - 4.9=77, 1081/3.0=17...(18) QD TYR 67 + HG3 LYS 65 OK 64 93 - 68 - 2.2/4700=10, ~4700=9...(17) QD TYR 67 + HG2 LYS 65 OK 64 93 - 68 - 2.2/4700=10, ~4700=9...(17) QD TYR 102 - HG2 LYS 65 OK 38 98 - 39 - 4827/4.0=5, 4825/3.0=5...(14) QD TYR 102 - HG3 LYS 65 OK 38 98 - 39 - 4827/4.0=5, 4825/3.0=5...(14) QD PHE 107 - HG2 LYS 65 OK 20 68 - 30 - 2.2/4794=5, 7827=4...(13) QD PHE 107 - HG3 LYS 65 OK 20 68 - 30 - 2.2/4794=5, 7827=4...(13) QE PHE 40 - HG2 LYS 65 OK 17 99 - 17 - 2.2/4670=2, 4680=2...(5) QE PHE 40 - HG3 LYS 65 OK 17 99 - 17 - 2.2/4670=2, 4680=2...(5) Peak 3601 from cnoeabs.peaks (4.29, 0.98, 23.76 ppm; 3.79 A): 2 out of 14 assignments used, quality = 1.00: HA LYS 65 + HG3 LYS 65 OK 97 100 - 97 - 4.0=87, 3575/1.8=14...(29) * HA LYS 65 + HG2 LYS 65 OK 97 100 - 97 - 4.0=87, 3575/1.8=14...(29) HB3 SER 113 - HG3 LYS 65 OK 29 99 - 30 - 1.8/7931=6, 7936=5...(10) HB3 SER 113 - HG2 LYS 65 OK 29 99 - 30 - 1.8/7931=6, 7936=5...(10) HA LEU 114 - HG2 LYS 65 OK 24 100 - 24 - 3.0/5677=3, 1080/4.9=2...(13) HA LEU 114 - HG3 LYS 65 OK 24 100 - 24 - 3.0/5677=3, 1080/4.9=2...(13) HB2 SER 78 - HG2 LYS 65 OK 11 98 - 11 - 7363/4.9=3, 7364/4700=1...(4) HB2 SER 78 - HG3 LYS 65 OK 11 98 - 11 - 7363/4.9=3, 7364/4700=1...(4) HA GLU 94 - HG2 LYS 65 lone 8 83 - 9 - 3.0/7614=2, ~7614=2, 3.6/1246=1 HA GLU 94 - HG3 LYS 65 lone 8 83 - 9 - 3.0/7614=2, ~7614=2, 3.6/1246=1 HA GLN 103 - HG2 LYS 65 lone 6 90 - 7 - 1080/4.9=2 HA GLN 103 - HG3 LYS 65 lone 6 90 - 7 - 1080/4.9=2 HA ALA 122 - HG3 LYS 65 lone 2 83 - 2 - HA ALA 122 - HG2 LYS 65 lone 2 83 - 2 - Peak 3602 from cnoeabs.peaks (1.54, 0.98, 23.76 ppm; 3.12 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 * HB2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 46 - HG2 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HD3 LYS 46 - HG3 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HG12 ILE 124 - HG2 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG12 ILE 124 - HG3 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG3 LYS 109 - HG2 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 HG3 LYS 109 - HG3 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 Peak 3603 from cnoeabs.peaks (1.54, 0.98, 23.76 ppm; 3.12 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 * HB3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 46 - HG2 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HD3 LYS 46 - HG3 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HG12 ILE 124 - HG2 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG12 ILE 124 - HG3 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG3 LYS 109 - HG2 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 HG3 LYS 109 - HG3 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 Peak 3604 from cnoeabs.peaks (0.98, 0.98, 23.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 * HG2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 Peak 3605 from cnoeabs.peaks (0.98, 0.98, 23.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 HG2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 Reference assignment not found: HG3 LYS 65 - HG2 LYS 65 Peak 3606 from cnoeabs.peaks (1.44, 0.98, 23.76 ppm; 3.22 A): 4 out of 32 assignments used, quality = 1.00: HD2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 * HD2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HD3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HD3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HD2 LYS 46 - HG2 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HD2 LYS 46 - HG3 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HB3 LEU 101 - HG3 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 101 - HG2 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 45 - HG2 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) HB3 LEU 45 - HG3 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) QB ALA 89 - HG2 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 QB ALA 89 - HG3 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 HB2 LEU 93 - HG3 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB2 LEU 93 - HG2 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB3 GLU 75 - HG3 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HB3 GLU 75 - HG2 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HG LEU 24 - HG3 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HG LEU 24 - HG2 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HB3 LEU 91 - HG2 LYS 65 lone 7 93 - 8 - HB3 LEU 91 - HG3 LYS 65 lone 7 93 - 8 - QB ALA 98 - HG2 LYS 65 lone 3 83 - 3 - QB ALA 98 - HG3 LYS 65 lone 3 83 - 3 - HG3 ARG 57 - HG3 LYS 65 lone 3 73 - 3 - HG3 ARG 57 - HG2 LYS 65 lone 3 73 - 3 - HB2 LEU 51 - HG2 LYS 65 lone 2 76 - 3 - HB2 LEU 51 - HG3 LYS 65 lone 2 76 - 3 - HG2 LYS 119 - HG2 LYS 65 lone 2 89 - 3 - HG2 LYS 119 - HG3 LYS 65 lone 2 89 - 3 - QB ALA 14 - HG3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HG2 LYS 65 lone 2 78 - 2 - HG3 LYS 31 - HG2 LYS 65 lone 1 83 - 1 - HG3 LYS 31 - HG3 LYS 65 lone 1 83 - 1 - Peak 3607 from cnoeabs.peaks (1.44, 0.98, 23.76 ppm; 3.22 A): 4 out of 32 assignments used, quality = 1.00: HD2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HD2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HD3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 * HD3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HD2 LYS 46 - HG2 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HD2 LYS 46 - HG3 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HB3 LEU 101 - HG3 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 101 - HG2 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 45 - HG2 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) HB3 LEU 45 - HG3 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) QB ALA 89 - HG2 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 QB ALA 89 - HG3 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 HB2 LEU 93 - HG3 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB2 LEU 93 - HG2 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB3 GLU 75 - HG3 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HB3 GLU 75 - HG2 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HG LEU 24 - HG3 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HG LEU 24 - HG2 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HB3 LEU 91 - HG2 LYS 65 lone 7 93 - 8 - HB3 LEU 91 - HG3 LYS 65 lone 7 93 - 8 - QB ALA 98 - HG2 LYS 65 lone 3 83 - 3 - QB ALA 98 - HG3 LYS 65 lone 3 83 - 3 - HG3 ARG 57 - HG3 LYS 65 lone 3 73 - 3 - HG3 ARG 57 - HG2 LYS 65 lone 3 73 - 3 - HB2 LEU 51 - HG2 LYS 65 lone 2 76 - 3 - HB2 LEU 51 - HG3 LYS 65 lone 2 76 - 3 - HG2 LYS 119 - HG2 LYS 65 lone 2 89 - 3 - HG2 LYS 119 - HG3 LYS 65 lone 2 89 - 3 - QB ALA 14 - HG3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HG2 LYS 65 lone 2 78 - 2 - HG3 LYS 31 - HG2 LYS 65 lone 1 83 - 1 - HG3 LYS 31 - HG3 LYS 65 lone 1 83 - 1 - Peak 3608 from cnoeabs.peaks (2.56, 0.98, 23.76 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 HE2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.8=100 HE3 LYS 46 - HG3 LYS 65 OK 44 73 - 61 - 3658/3.8=6, 3638/2.9=5...(34) HE3 LYS 46 - HG2 LYS 65 OK 44 73 - 61 - 3658/3.8=6, 3638/2.9=5...(34) HB3 ASP 36 - HG2 LYS 65 lone 3 93 - 3 - HB3 ASP 36 - HG3 LYS 65 lone 3 93 - 3 - Peak 3609 from cnoeabs.peaks (2.70, 0.98, 23.76 ppm; 4.21 A): 2 out of 8 assignments used, quality = 1.00: HE3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.8=100 * HE3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 HB3 ASN 106 - HG2 LYS 65 lone 8 81 - 10 - ~7789=3, 7792/3.0=2, 7792/3.0=2 HB3 ASN 106 - HG3 LYS 65 lone 8 81 - 10 - ~7789=3, 7792/3.0=2, 7792/3.0=2 HB3 ASN 99 - HG2 LYS 65 lone 4 78 - 5 - 7679/2.9=1, 7679/2.9=1 HB3 ASN 99 - HG3 LYS 65 lone 4 78 - 5 - 7679/2.9=1, 7679/2.9=1 HB3 ASN 108 - HG3 LYS 65 lone 3 71 - 5 - HB3 ASN 108 - HG2 LYS 65 lone 3 71 - 5 - Peak 3610 from cnoeabs.peaks (7.21, 0.98, 23.76 ppm; 4.51 A): 4 out of 10 assignments used, quality = 1.00: H LYS 65 + HG2 LYS 65 OK 96 100 - 96 - 4.9=77, 1081/3.0=17...(18) * H LYS 65 + HG3 LYS 65 OK 96 100 - 96 - 4.9=77, 1081/3.0=17...(18) QD TYR 67 + HG3 LYS 65 OK 64 93 - 68 - 2.2/4700=10, ~4700=9...(17) QD TYR 67 + HG2 LYS 65 OK 64 93 - 68 - 2.2/4700=10, ~4700=9...(17) QD TYR 102 - HG2 LYS 65 OK 38 98 - 39 - 4827/4.0=5, 4825/3.0=5...(14) QD TYR 102 - HG3 LYS 65 OK 38 98 - 39 - 4827/4.0=5, 4825/3.0=5...(14) QD PHE 107 - HG2 LYS 65 OK 20 68 - 30 - 2.2/4794=5, 7827=4...(13) QD PHE 107 - HG3 LYS 65 OK 20 68 - 30 - 2.2/4794=5, 7827=4...(13) QE PHE 40 - HG2 LYS 65 OK 17 99 - 17 - 2.2/4670=2, 4680=2...(5) QE PHE 40 - HG3 LYS 65 OK 17 99 - 17 - 2.2/4670=2, 4680=2...(5) Peak 3611 from cnoeabs.peaks (4.29, 0.98, 23.76 ppm; 3.79 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 65 + HG3 LYS 65 OK 97 100 - 97 - 4.0=87, 3575/1.8=14...(29) HA LYS 65 + HG2 LYS 65 OK 97 100 - 97 - 4.0=87, 3575/1.8=14...(29) HB3 SER 113 - HG3 LYS 65 OK 29 99 - 30 - 1.8/7931=6, 7936=5...(10) HB3 SER 113 - HG2 LYS 65 OK 29 99 - 30 - 1.8/7931=6, 7936=5...(10) HA LEU 114 - HG2 LYS 65 OK 24 100 - 24 - 3.0/5677=3, 1080/4.9=2...(13) HA LEU 114 - HG3 LYS 65 OK 24 100 - 24 - 3.0/5677=3, 1080/4.9=2...(13) HB2 SER 78 - HG2 LYS 65 OK 11 98 - 11 - 7363/4.9=3, 7364/4700=1...(4) HB2 SER 78 - HG3 LYS 65 OK 11 98 - 11 - 7363/4.9=3, 7364/4700=1...(4) HA GLU 94 - HG2 LYS 65 lone 8 83 - 9 - 3.0/7614=2, ~7614=2, 3.6/1246=1 HA GLU 94 - HG3 LYS 65 lone 8 83 - 9 - 3.0/7614=2, ~7614=2, 3.6/1246=1 HA GLN 103 - HG2 LYS 65 lone 6 90 - 7 - 1080/4.9=2 HA GLN 103 - HG3 LYS 65 lone 6 90 - 7 - 1080/4.9=2 HA ALA 122 - HG3 LYS 65 lone 2 83 - 2 - HA ALA 122 - HG2 LYS 65 lone 2 83 - 2 - Peak 3612 from cnoeabs.peaks (1.54, 0.98, 23.76 ppm; 3.12 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 46 - HG2 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HD3 LYS 46 - HG3 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HG12 ILE 124 - HG2 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG12 ILE 124 - HG3 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG3 LYS 109 - HG2 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 HG3 LYS 109 - HG3 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 Peak 3613 from cnoeabs.peaks (1.54, 0.98, 23.76 ppm; 3.12 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 * HB3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 46 - HG2 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HD3 LYS 46 - HG3 LYS 65 OK 40 90 - 44 - 2985/2.9=3, 2985/2.9=3...(25) HG12 ILE 124 - HG2 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG12 ILE 124 - HG3 LYS 65 OK 31 99 - 32 - 5358/1.8=3, 1.8/5365=3...(19) HG3 LYS 109 - HG2 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 HG3 LYS 109 - HG3 LYS 65 lone 8 100 - 8 - ~8757=1, ~4895=1 Peak 3614 from cnoeabs.peaks (0.98, 0.98, 23.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 HG2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 Reference assignment not found: HG2 LYS 65 - HG3 LYS 65 Peak 3615 from cnoeabs.peaks (0.98, 0.98, 23.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 HG2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 Peak 3616 from cnoeabs.peaks (1.44, 0.98, 23.76 ppm; 3.22 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HD2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HD3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HD3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HD2 LYS 46 - HG2 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HD2 LYS 46 - HG3 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HB3 LEU 101 - HG3 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 101 - HG2 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 45 - HG2 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) HB3 LEU 45 - HG3 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) QB ALA 89 - HG2 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 QB ALA 89 - HG3 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 HB2 LEU 93 - HG3 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB2 LEU 93 - HG2 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB3 GLU 75 - HG3 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HB3 GLU 75 - HG2 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HG LEU 24 - HG3 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HG LEU 24 - HG2 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HB3 LEU 91 - HG2 LYS 65 lone 7 93 - 8 - HB3 LEU 91 - HG3 LYS 65 lone 7 93 - 8 - QB ALA 98 - HG2 LYS 65 lone 3 83 - 3 - QB ALA 98 - HG3 LYS 65 lone 3 83 - 3 - HG3 ARG 57 - HG3 LYS 65 lone 3 73 - 3 - HG3 ARG 57 - HG2 LYS 65 lone 3 73 - 3 - HB2 LEU 51 - HG2 LYS 65 lone 2 76 - 3 - HB2 LEU 51 - HG3 LYS 65 lone 2 76 - 3 - HG2 LYS 119 - HG2 LYS 65 lone 2 89 - 3 - HG2 LYS 119 - HG3 LYS 65 lone 2 89 - 3 - QB ALA 14 - HG3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HG2 LYS 65 lone 2 78 - 2 - HG3 LYS 31 - HG2 LYS 65 lone 1 83 - 1 - HG3 LYS 31 - HG3 LYS 65 lone 1 83 - 1 - Peak 3617 from cnoeabs.peaks (1.44, 0.98, 23.76 ppm; 3.22 A): 4 out of 32 assignments used, quality = 1.00: HD2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HD2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 * HD3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HD3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HD2 LYS 46 - HG2 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HD2 LYS 46 - HG3 LYS 65 OK 44 92 - 48 - 2976/3.0=3, 2976/3.0=3...(32) HB3 LEU 101 - HG3 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 101 - HG2 LYS 65 OK 32 100 - 32 - 3.0/4649=3, 4663=3...(13) HB3 LEU 45 - HG2 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) HB3 LEU 45 - HG3 LYS 65 OK 19 99 - 19 - 6840=3, 6840/1.8=3...(6) QB ALA 89 - HG2 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 QB ALA 89 - HG3 LYS 65 OK 11 100 - 11 - 2.9/5678=1, 4.8/7552=1 HB2 LEU 93 - HG3 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB2 LEU 93 - HG2 LYS 65 OK 10 78 - 13 - 7610=1, 7610/1.8=1...(6) HB3 GLU 75 - HG3 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HB3 GLU 75 - HG2 LYS 65 lone 8 99 - 9 - 8332/4.9=1, 3577/4.0=1 HG LEU 24 - HG3 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HG LEU 24 - HG2 LYS 65 lone 8 99 - 8 - 2.1/6470=1, 2.1/6465=1 HB3 LEU 91 - HG2 LYS 65 lone 7 93 - 8 - HB3 LEU 91 - HG3 LYS 65 lone 7 93 - 8 - QB ALA 98 - HG2 LYS 65 lone 3 83 - 3 - QB ALA 98 - HG3 LYS 65 lone 3 83 - 3 - HG3 ARG 57 - HG3 LYS 65 lone 3 73 - 3 - HG3 ARG 57 - HG2 LYS 65 lone 3 73 - 3 - HB2 LEU 51 - HG2 LYS 65 lone 2 76 - 3 - HB2 LEU 51 - HG3 LYS 65 lone 2 76 - 3 - HG2 LYS 119 - HG2 LYS 65 lone 2 89 - 3 - HG2 LYS 119 - HG3 LYS 65 lone 2 89 - 3 - QB ALA 14 - HG3 LYS 65 lone 2 78 - 2 - QB ALA 14 - HG2 LYS 65 lone 2 78 - 2 - HG3 LYS 31 - HG2 LYS 65 lone 1 83 - 1 - HG3 LYS 31 - HG3 LYS 65 lone 1 83 - 1 - Peak 3618 from cnoeabs.peaks (2.56, 0.98, 23.76 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: HE2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 * HE2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.8=100 HE3 LYS 46 - HG3 LYS 65 OK 44 73 - 61 - 3658/3.8=6, 3638/2.9=5...(34) HE3 LYS 46 - HG2 LYS 65 OK 44 73 - 61 - 3658/3.8=6, 3638/2.9=5...(34) HB3 ASP 36 - HG2 LYS 65 lone 3 93 - 3 - HB3 ASP 36 - HG3 LYS 65 lone 3 93 - 3 - Peak 3619 from cnoeabs.peaks (2.70, 0.98, 23.76 ppm; 4.21 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.8=100 HE3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 HB3 ASN 106 - HG2 LYS 65 lone 8 81 - 10 - ~7789=3, 7792/3.0=2, 7792/3.0=2 HB3 ASN 106 - HG3 LYS 65 lone 8 81 - 10 - ~7789=3, 7792/3.0=2, 7792/3.0=2 HB3 ASN 99 - HG2 LYS 65 lone 4 78 - 5 - 7679/2.9=1, 7679/2.9=1 HB3 ASN 99 - HG3 LYS 65 lone 4 78 - 5 - 7679/2.9=1, 7679/2.9=1 HB3 ASN 108 - HG3 LYS 65 lone 3 71 - 5 - HB3 ASN 108 - HG2 LYS 65 lone 3 71 - 5 - Peak 3620 from cnoeabs.peaks (7.21, 1.44, 28.56 ppm; 4.40 A): 4 out of 10 assignments used, quality = 1.00: * H LYS 65 + HD2 LYS 65 OK 89 100 - 89 - 5.5=50, 1081/3.8=14...(18) H LYS 65 + HD3 LYS 65 OK 89 100 - 89 - 5.5=50, 1081/3.8=14...(18) QD TYR 67 + HD3 LYS 65 OK 80 93 - 86 - ~7217=17, ~4696=15...(24) QD TYR 67 + HD2 LYS 65 OK 80 93 - 86 - ~7217=17, ~4696=15...(24) QD TYR 102 - HD2 LYS 65 OK 33 98 - 34 - 4825/3.8=4, 4825/3.8=4...(13) QD TYR 102 - HD3 LYS 65 OK 33 98 - 34 - 4825/3.8=4, 4825/3.8=4...(13) QD PHE 107 - HD2 LYS 65 OK 16 68 - 23 - 4807/2.9=3, 4807/2.9=3...(10) QD PHE 107 - HD3 LYS 65 OK 16 68 - 23 - 4807/2.9=3, 4807/2.9=3...(10) QE PHE 40 - HD2 LYS 65 OK 11 99 - 11 - 4680/2.9=1, 4680/2.9=1...(4) QE PHE 40 - HD3 LYS 65 OK 11 99 - 11 - 4680/2.9=1, 4680/2.9=1...(4) Peak 3621 from cnoeabs.peaks (4.29, 1.44, 28.56 ppm; 3.62 A): 2 out of 14 assignments used, quality = 0.96: HA LYS 65 + HD3 LYS 65 OK 79 100 - 79 - 5.4=31, 3575/2.9=10...(32) * HA LYS 65 + HD2 LYS 65 OK 79 100 - 79 - 5.4=31, 3575/2.9=10...(32) HA LEU 114 - HD3 LYS 65 OK 20 100 - 20 - 3.0/5680=3, 3601/2.9=2...(12) HA LEU 114 - HD2 LYS 65 OK 20 100 - 20 - 3.0/5680=3, 3601/2.9=2...(12) HB3 SER 113 - HD2 LYS 65 OK 17 99 - 17 - 7936/2.9=4, 7936/2.9=4...(7) HB3 SER 113 - HD3 LYS 65 OK 17 99 - 17 - 7936/2.9=4, 7936/2.9=4...(7) HB2 SER 78 - HD2 LYS 65 lone 9 98 - 9 - 7363/5.5=2, 7364/8685=1 HB2 SER 78 - HD3 LYS 65 lone 9 98 - 9 - 7363/5.5=2, 7364/8685=1 HA GLN 103 - HD2 LYS 65 lone 5 90 - 6 - 1080/5.5=2 HA GLN 103 - HD3 LYS 65 lone 5 90 - 6 - 1080/5.5=2 HA GLU 94 - HD2 LYS 65 lone 4 83 - 5 - ~7614=1 HA GLU 94 - HD3 LYS 65 lone 4 83 - 5 - ~7614=1 HA ALA 122 - HD3 LYS 65 lone 1 83 - 2 - HA ALA 122 - HD2 LYS 65 lone 1 83 - 2 - Peak 3622 from cnoeabs.peaks (1.54, 1.44, 28.56 ppm; 3.27 A): 6 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) * HB2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HD3 LYS 46 + HD2 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HD3 LYS 46 + HD3 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HG12 ILE 124 - HD2 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG12 ILE 124 - HD3 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG3 LYS 109 - HD2 LYS 65 lone 4 100 - 4 - HG3 LYS 109 - HD3 LYS 65 lone 4 100 - 4 - Peak 3623 from cnoeabs.peaks (1.54, 1.44, 28.56 ppm; 3.27 A): 6 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) * HB3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HD3 LYS 46 + HD2 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HD3 LYS 46 + HD3 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HG12 ILE 124 - HD2 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG12 ILE 124 - HD3 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG3 LYS 109 - HD2 LYS 65 lone 4 100 - 4 - HG3 LYS 109 - HD3 LYS 65 lone 4 100 - 4 - Peak 3624 from cnoeabs.peaks (0.98, 1.44, 28.56 ppm; 2.94 A): 4 out of 18 assignments used, quality = 1.00: HG2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 * HG2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 QD1 LEU 101 - HD3 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QD1 LEU 101 - HD2 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QG2 ILE 124 - HD3 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG2 ILE 124 - HD2 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG1 VAL 18 - HD3 LYS 65 lone 6 100 - 5 - QG1 VAL 18 - HD2 LYS 65 lone 6 100 - 5 - QD2 LEU 58 - HD2 LYS 65 lone 5 95 - 5 - QD2 LEU 58 - HD3 LYS 65 lone 5 95 - 5 - QD1 LEU 58 - HD2 LYS 65 lone 4 81 - 5 - QD1 LEU 58 - HD3 LYS 65 lone 4 81 - 5 - QG2 THR 95 - HD2 LYS 65 lone 3 99 - 3 - QG2 THR 95 - HD3 LYS 65 lone 3 99 - 3 - HB3 LEU 27 - HD2 LYS 65 lone 1 68 - 2 - HB3 LEU 27 - HD3 LYS 65 lone 1 68 - 2 - Peak 3625 from cnoeabs.peaks (0.98, 1.44, 28.56 ppm; 2.94 A): 4 out of 18 assignments used, quality = 1.00: HG2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 HG2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 * HG3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 QD1 LEU 101 - HD3 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QD1 LEU 101 - HD2 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QG2 ILE 124 - HD3 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG2 ILE 124 - HD2 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG1 VAL 18 - HD3 LYS 65 lone 6 100 - 5 - QG1 VAL 18 - HD2 LYS 65 lone 6 100 - 5 - QD2 LEU 58 - HD2 LYS 65 lone 5 95 - 5 - QD2 LEU 58 - HD3 LYS 65 lone 5 95 - 5 - QD1 LEU 58 - HD2 LYS 65 lone 4 81 - 5 - QD1 LEU 58 - HD3 LYS 65 lone 4 81 - 5 - QG2 THR 95 - HD2 LYS 65 lone 3 99 - 3 - QG2 THR 95 - HD3 LYS 65 lone 3 99 - 3 - HB3 LEU 27 - HD2 LYS 65 lone 1 68 - 2 - HB3 LEU 27 - HD3 LYS 65 lone 1 68 - 2 - Peak 3626 from cnoeabs.peaks (1.44, 1.44, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 * HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 Peak 3627 from cnoeabs.peaks (1.44, 1.44, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 Reference assignment not found: HD3 LYS 65 - HD2 LYS 65 Peak 3628 from cnoeabs.peaks (2.56, 1.44, 28.56 ppm; 3.45 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 3.0=100 HE2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 3.0=100 HE3 LYS 46 - HD3 LYS 65 OK 38 73 - 52 - 3658/3.0=6, 1.8/2995=4...(28) HE3 LYS 46 - HD2 LYS 65 OK 38 73 - 52 - 3658/3.0=6, 1.8/2995=4...(28) HB3 ASP 36 - HD2 LYS 65 lone 3 93 - 3 - HB3 ASP 36 - HD3 LYS 65 lone 3 93 - 3 - Peak 3629 from cnoeabs.peaks (2.70, 1.44, 28.56 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: HE3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 3.0=100 * HE3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 ASN 99 - HD3 LYS 65 lone 5 78 - 6 - HB3 ASN 99 - HD2 LYS 65 lone 5 78 - 6 - HB3 ASN 106 - HD3 LYS 65 lone 4 81 - 6 - 7792/3.8=1, 7792/3.8=1 HB3 ASN 106 - HD2 LYS 65 lone 4 81 - 6 - 7792/3.8=1, 7792/3.8=1 HB3 ASN 108 - HD3 LYS 65 lone 3 71 - 4 - HB3 ASN 108 - HD2 LYS 65 lone 3 71 - 4 - Peak 3630 from cnoeabs.peaks (7.21, 1.44, 28.56 ppm; 4.40 A): 4 out of 10 assignments used, quality = 1.00: H LYS 65 + HD2 LYS 65 OK 89 100 - 89 - 5.5=50, 1081/3.8=14...(18) * H LYS 65 + HD3 LYS 65 OK 89 100 - 89 - 5.5=50, 1081/3.8=14...(18) QD TYR 67 + HD3 LYS 65 OK 80 93 - 86 - ~7217=17, ~4696=15...(24) QD TYR 67 + HD2 LYS 65 OK 80 93 - 86 - ~7217=17, ~4696=15...(24) QD TYR 102 - HD2 LYS 65 OK 33 98 - 34 - 4825/3.8=4, 4825/3.8=4...(13) QD TYR 102 - HD3 LYS 65 OK 33 98 - 34 - 4825/3.8=4, 4825/3.8=4...(13) QD PHE 107 - HD2 LYS 65 OK 16 68 - 23 - 4807/2.9=3, 4807/2.9=3...(10) QD PHE 107 - HD3 LYS 65 OK 16 68 - 23 - 4807/2.9=3, 4807/2.9=3...(10) QE PHE 40 - HD2 LYS 65 OK 11 99 - 11 - 4680/2.9=1, 4680/2.9=1...(4) QE PHE 40 - HD3 LYS 65 OK 11 99 - 11 - 4680/2.9=1, 4680/2.9=1...(4) Peak 3631 from cnoeabs.peaks (4.29, 1.44, 28.56 ppm; 3.62 A): 2 out of 14 assignments used, quality = 0.96: * HA LYS 65 + HD3 LYS 65 OK 79 100 - 79 - 5.4=31, 3575/2.9=10...(32) HA LYS 65 + HD2 LYS 65 OK 79 100 - 79 - 5.4=31, 3575/2.9=10...(32) HA LEU 114 - HD3 LYS 65 OK 20 100 - 20 - 3.0/5680=3, 3601/2.9=2...(12) HA LEU 114 - HD2 LYS 65 OK 20 100 - 20 - 3.0/5680=3, 3601/2.9=2...(12) HB3 SER 113 - HD2 LYS 65 OK 17 99 - 17 - 7936/2.9=4, 7936/2.9=4...(7) HB3 SER 113 - HD3 LYS 65 OK 17 99 - 17 - 7936/2.9=4, 7936/2.9=4...(7) HB2 SER 78 - HD2 LYS 65 lone 9 98 - 9 - 7363/5.5=2, 7364/8685=1 HB2 SER 78 - HD3 LYS 65 lone 9 98 - 9 - 7363/5.5=2, 7364/8685=1 HA GLN 103 - HD2 LYS 65 lone 5 90 - 6 - 1080/5.5=2 HA GLN 103 - HD3 LYS 65 lone 5 90 - 6 - 1080/5.5=2 HA GLU 94 - HD2 LYS 65 lone 4 83 - 5 - ~7614=1 HA GLU 94 - HD3 LYS 65 lone 4 83 - 5 - ~7614=1 HA ALA 122 - HD3 LYS 65 lone 1 83 - 2 - HA ALA 122 - HD2 LYS 65 lone 1 83 - 2 - Peak 3632 from cnoeabs.peaks (1.54, 1.44, 28.56 ppm; 3.27 A): 6 out of 10 assignments used, quality = 1.00: * HB2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HD3 LYS 46 + HD2 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HD3 LYS 46 + HD3 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HG12 ILE 124 - HD2 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG12 ILE 124 - HD3 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG3 LYS 109 - HD2 LYS 65 lone 4 100 - 4 - HG3 LYS 109 - HD3 LYS 65 lone 4 100 - 4 - Peak 3633 from cnoeabs.peaks (1.54, 1.44, 28.56 ppm; 3.27 A): 6 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) * HB3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HB2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.8=66, 3.0/3621=7...(29) HD3 LYS 46 + HD2 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HD3 LYS 46 + HD3 LYS 65 OK 48 90 - 53 - 2985=4, 2985/1.8=4...(31) HG12 ILE 124 - HD2 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG12 ILE 124 - HD3 LYS 65 OK 21 99 - 22 - 5358/2.9=3, 5358/2.9=3...(8) HG3 LYS 109 - HD2 LYS 65 lone 4 100 - 4 - HG3 LYS 109 - HD3 LYS 65 lone 4 100 - 4 - Peak 3634 from cnoeabs.peaks (0.98, 1.44, 28.56 ppm; 2.94 A): 4 out of 18 assignments used, quality = 1.00: * HG2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 HG2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 QD1 LEU 101 - HD3 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QD1 LEU 101 - HD2 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QG2 ILE 124 - HD3 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG2 ILE 124 - HD2 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG1 VAL 18 - HD3 LYS 65 lone 6 100 - 5 - QG1 VAL 18 - HD2 LYS 65 lone 6 100 - 5 - QD2 LEU 58 - HD2 LYS 65 lone 5 95 - 5 - QD2 LEU 58 - HD3 LYS 65 lone 5 95 - 5 - QD1 LEU 58 - HD2 LYS 65 lone 4 81 - 5 - QD1 LEU 58 - HD3 LYS 65 lone 4 81 - 5 - QG2 THR 95 - HD2 LYS 65 lone 3 99 - 3 - QG2 THR 95 - HD3 LYS 65 lone 3 99 - 3 - HB3 LEU 27 - HD2 LYS 65 lone 1 68 - 2 - HB3 LEU 27 - HD3 LYS 65 lone 1 68 - 2 - Peak 3635 from cnoeabs.peaks (0.98, 1.44, 28.56 ppm; 2.94 A): 4 out of 18 assignments used, quality = 1.00: HG2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 HG2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 * HG3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.9=100 QD1 LEU 101 - HD3 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QD1 LEU 101 - HD2 LYS 65 OK 23 100 - 23 - 4675=2, 4675/1.8=2...(6) QG2 ILE 124 - HD3 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG2 ILE 124 - HD2 LYS 65 OK 16 76 - 21 - 5352/3.8=2, 5352/3.8=2...(7) QG1 VAL 18 - HD3 LYS 65 lone 6 100 - 5 - QG1 VAL 18 - HD2 LYS 65 lone 6 100 - 5 - QD2 LEU 58 - HD2 LYS 65 lone 5 95 - 5 - QD2 LEU 58 - HD3 LYS 65 lone 5 95 - 5 - QD1 LEU 58 - HD2 LYS 65 lone 4 81 - 5 - QD1 LEU 58 - HD3 LYS 65 lone 4 81 - 5 - QG2 THR 95 - HD2 LYS 65 lone 3 99 - 3 - QG2 THR 95 - HD3 LYS 65 lone 3 99 - 3 - HB3 LEU 27 - HD2 LYS 65 lone 1 68 - 2 - HB3 LEU 27 - HD3 LYS 65 lone 1 68 - 2 - Peak 3636 from cnoeabs.peaks (1.44, 1.44, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 Reference assignment not found: HD2 LYS 65 - HD3 LYS 65 Peak 3637 from cnoeabs.peaks (1.44, 1.44, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 Peak 3638 from cnoeabs.peaks (2.56, 1.44, 28.56 ppm; 3.45 A): 2 out of 6 assignments used, quality = 1.00: HE2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 3.0=100 * HE2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 3.0=100 HE3 LYS 46 - HD3 LYS 65 OK 38 73 - 52 - 3658/3.0=6, 1.8/2995=4...(28) HE3 LYS 46 - HD2 LYS 65 OK 38 73 - 52 - 3658/3.0=6, 1.8/2995=4...(28) HB3 ASP 36 - HD2 LYS 65 lone 3 93 - 3 - HB3 ASP 36 - HD3 LYS 65 lone 3 93 - 3 - Peak 3639 from cnoeabs.peaks (2.70, 1.44, 28.56 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 3.0=100 HE3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 ASN 99 - HD3 LYS 65 lone 5 78 - 6 - HB3 ASN 99 - HD2 LYS 65 lone 5 78 - 6 - HB3 ASN 106 - HD3 LYS 65 lone 4 81 - 6 - 7792/3.8=1, 7792/3.8=1 HB3 ASN 106 - HD2 LYS 65 lone 4 81 - 6 - 7792/3.8=1, 7792/3.8=1 HB3 ASN 108 - HD3 LYS 65 lone 3 71 - 4 - HB3 ASN 108 - HD2 LYS 65 lone 3 71 - 4 - Peak 3642 from cnoeabs.peaks (1.54, 2.56, 41.75 ppm; 4.08 A): 4 out of 10 assignments used, quality = 1.00: HB3 LYS 65 + HE2 LYS 65 OK 89 100 - 89 - 5.0=55, 3652/1.8=11...(24) * HB2 LYS 65 + HE2 LYS 65 OK 89 100 - 89 - 5.0=55, 3652/1.8=11...(24) HD3 LYS 46 + HE3 LYS 46 OK 57 57 - 100 - 3.0=100 HD3 LYS 46 + HE2 LYS 65 OK 51 90 - 56 - 3652/1.8=6, 2988=6...(27) HB3 LYS 65 - HE3 LYS 46 OK 39 69 - 57 - 2996/1.8=6, ~2996=5...(30) HB2 LYS 65 - HE3 LYS 46 OK 39 69 - 57 - 2996/1.8=6, ~2996=5...(30) HG3 LYS 109 - HE3 LYS 46 OK 29 68 - 43 - 4924/3.0=4, 2996/1.8=4...(23) HG12 ILE 124 - HE2 LYS 65 OK 20 99 - 21 - 5358/3.8=3, 5358/3.8=3...(10) HG12 ILE 124 - HE3 LYS 46 OK 12 66 - 18 - 5357/4.7=2, 2996/1.8=2...(10) HG3 LYS 109 - HE2 LYS 65 lone 8 100 - 8 - 5871/4696=1, 3653/1.8=1 Peak 3643 from cnoeabs.peaks (1.54, 2.56, 41.75 ppm; 4.08 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 65 + HE2 LYS 65 OK 89 100 - 89 - 5.0=55, 3652/1.8=11...(24) HB2 LYS 65 + HE2 LYS 65 OK 89 100 - 89 - 5.0=55, 3652/1.8=11...(24) HD3 LYS 46 + HE3 LYS 46 OK 57 57 - 100 - 3.0=100 HD3 LYS 46 + HE2 LYS 65 OK 51 90 - 56 - 3652/1.8=6, 2988=6...(27) HB3 LYS 65 - HE3 LYS 46 OK 39 69 - 57 - 2996/1.8=6, ~2996=5...(30) HB2 LYS 65 - HE3 LYS 46 OK 39 69 - 57 - 2996/1.8=6, ~2996=5...(30) HG3 LYS 109 - HE3 LYS 46 OK 29 68 - 43 - 4924/3.0=4, 2996/1.8=4...(23) HG12 ILE 124 - HE2 LYS 65 OK 20 99 - 21 - 5358/3.8=3, 5358/3.8=3...(10) HG12 ILE 124 - HE3 LYS 46 OK 12 66 - 18 - 5357/4.7=2, 2996/1.8=2...(10) HG3 LYS 109 - HE2 LYS 65 lone 8 100 - 8 - 5871/4696=1, 3653/1.8=1 Peak 3644 from cnoeabs.peaks (0.98, 2.56, 41.75 ppm; 3.73 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 65 + HE2 LYS 65 OK 99 100 - 99 - 3.8=98, 3654/1.8=15...(19) HG3 LYS 65 + HE2 LYS 65 OK 99 100 - 99 - 3.8=98, 3654/1.8=15...(19) HG2 LYS 65 - HE3 LYS 46 OK 35 69 - 50 - 3.8/3658=5, 3608=5...(29) HG3 LYS 65 - HE3 LYS 46 OK 35 69 - 50 - 3.8/3658=5, 3618=5...(29) QD1 LEU 101 - HE2 LYS 65 OK 17 100 - 17 - 3655/1.8=2, 4675/3.0=2...(4) QG2 ILE 124 - HE2 LYS 65 OK 14 76 - 19 - 5352/5.0=2, 5352/5.0=2...(10) QD1 LEU 101 - HE3 LYS 46 OK 12 68 - 18 - 7721/7.5=3, 7702/6.1=3...(5) QG2 ILE 124 - HE3 LYS 46 poor 6 45 - 13 - 5352/3.0=2, ~5345=1...(6) QD2 LEU 58 - HE2 LYS 65 lone 5 95 - 6 - QD1 LEU 58 - HE2 LYS 65 lone 5 81 - 6 - QG1 VAL 18 - HE2 LYS 65 lone 5 100 - 5 - QG1 VAL 18 - HE3 LYS 46 lone 3 69 - 5 - ~8398=1 QD2 LEU 58 - HE3 LYS 46 lone 3 61 - 5 - QG2 THR 95 - HE2 LYS 65 lone 3 99 - 3 - QD1 LEU 58 - HE3 LYS 46 lone 3 49 - 6 - HB3 LEU 27 - HE2 LYS 65 lone 1 68 - 2 - HB3 LEU 27 - HE3 LYS 46 lone 1 40 - 3 - QG2 THR 95 - HE3 LYS 46 lone 1 68 - 1 - Peak 3645 from cnoeabs.peaks (0.98, 2.56, 41.75 ppm; 3.73 A): 2 out of 18 assignments used, quality = 1.00: HG2 LYS 65 + HE2 LYS 65 OK 99 100 - 99 - 3.8=98, 3654/1.8=15...(19) * HG3 LYS 65 + HE2 LYS 65 OK 99 100 - 99 - 3.8=98, 3654/1.8=15...(19) HG2 LYS 65 - HE3 LYS 46 OK 35 69 - 50 - 3.8/3658=5, 3608=5...(29) HG3 LYS 65 - HE3 LYS 46 OK 35 69 - 50 - 3.8/3658=5, 3618=5...(29) QD1 LEU 101 - HE2 LYS 65 OK 17 100 - 17 - 3655/1.8=2, 4675/3.0=2...(4) QG2 ILE 124 - HE2 LYS 65 OK 14 76 - 19 - 5352/5.0=2, 5352/5.0=2...(10) QD1 LEU 101 - HE3 LYS 46 OK 12 68 - 18 - 7721/7.5=3, 7702/6.1=3...(5) QG2 ILE 124 - HE3 LYS 46 poor 6 45 - 13 - 5352/3.0=2, ~5345=1...(6) QD2 LEU 58 - HE2 LYS 65 lone 5 95 - 6 - QD1 LEU 58 - HE2 LYS 65 lone 5 81 - 6 - QG1 VAL 18 - HE2 LYS 65 lone 5 100 - 5 - QG1 VAL 18 - HE3 LYS 46 lone 3 69 - 5 - ~8398=1 QD2 LEU 58 - HE3 LYS 46 lone 3 61 - 5 - QG2 THR 95 - HE2 LYS 65 lone 3 99 - 3 - QD1 LEU 58 - HE3 LYS 46 lone 3 49 - 6 - HB3 LEU 27 - HE2 LYS 65 lone 1 68 - 2 - HB3 LEU 27 - HE3 LYS 46 lone 1 40 - 3 - QG2 THR 95 - HE3 LYS 46 lone 1 68 - 1 - Peak 3646 from cnoeabs.peaks (1.44, 2.56, 41.75 ppm; 3.15 A): 3 out of 32 assignments used, quality = 1.00: * HD2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 100 100 - 100 - 3.0=100 HD2 LYS 46 + HE3 LYS 46 OK 58 58 - 100 - 3.0=100 HD2 LYS 46 - HE2 LYS 65 OK 35 92 - 38 - 3657/1.8=5, 2978=4...(24) HD3 LYS 65 - HE3 LYS 46 OK 32 69 - 46 - 3628=5, 3.0/3658=5...(23) HD2 LYS 65 - HE3 LYS 46 OK 32 69 - 46 - 3638=5, 3.0/3658=5...(23) HG2 LYS 119 - HE3 LYS 46 OK 14 55 - 26 - 5225/3.9=2, 5225/3.9=2...(13) HB3 LEU 45 - HE3 LYS 46 OK 14 67 - 21 - 2985/3.0=2, 2995/1.8=2...(10) HB3 LEU 101 - HE2 LYS 65 OK 14 100 - 14 - 4663/3.8=2, 4663/3.8=2 HG LEU 24 - HE3 LYS 46 poor 8 67 - 12 - 2217/3.0=2, 2995/1.8=1, ~2233=1 HB3 LEU 45 - HE2 LYS 65 lone 8 99 - 8 - 6840/3.8=2, 6840/3.8=2 HB3 GLU 75 - HE2 LYS 65 lone 7 99 - 7 - 4699/4696=1 QB ALA 89 - HE2 LYS 65 lone 6 100 - 6 - 2.9/5681=1 HB3 LEU 101 - HE3 LYS 46 lone 4 69 - 6 - HB3 LEU 91 - HE2 LYS 65 lone 4 93 - 4 - QB ALA 14 - HE3 LYS 46 lone 4 47 - 9 - 6306/3.9=2, 6306/3.9=2, ~8574=1 HB3 GLU 75 - HE3 LYS 46 lone 4 67 - 5 - HB2 LEU 93 - HE2 LYS 65 lone 3 78 - 4 - HG LEU 24 - HE2 LYS 65 lone 3 99 - 3 - HG3 LYS 31 - HE3 LYS 46 lone 2 51 - 4 - HB3 LEU 91 - HE3 LYS 46 lone 2 60 - 3 - QB ALA 98 - HE2 LYS 65 lone 2 83 - 2 - HG2 LYS 119 - HE2 LYS 65 lone 2 89 - 2 - HB2 LEU 51 - HE2 LYS 65 lone 1 76 - 2 - QB ALA 89 - HE3 LYS 46 lone 1 69 - 2 - QB ALA 14 - HE2 LYS 65 lone 1 78 - 1 - HG3 ARG 57 - HE2 LYS 65 lone 1 73 - 1 - HG3 ARG 57 - HE3 LYS 46 lone 1 44 - 2 - HB2 LEU 93 - HE3 LYS 46 lone 1 47 - 2 - HG3 LYS 31 - HE2 LYS 65 lone 1 83 - 1 - QB ALA 98 - HE3 LYS 46 lone 0 51 - 1 - HB2 LEU 51 - HE3 LYS 46 lone 0 45 - 0 - Peak 3647 from cnoeabs.peaks (1.44, 2.56, 41.75 ppm; 3.15 A): 3 out of 32 assignments used, quality = 1.00: HD2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 - 3.0=100 * HD3 LYS 65 + HE2 LYS 65 OK 100 100 - 100 - 3.0=100 HD2 LYS 46 + HE3 LYS 46 OK 58 58 - 100 - 3.0=100 HD2 LYS 46 - HE2 LYS 65 OK 35 92 - 38 - 3657/1.8=5, 2978=4...(24) HD3 LYS 65 - HE3 LYS 46 OK 32 69 - 46 - 3628=5, 3.0/3658=5...(23) HD2 LYS 65 - HE3 LYS 46 OK 32 69 - 46 - 3638=5, 3.0/3658=5...(23) HG2 LYS 119 - HE3 LYS 46 OK 14 55 - 26 - 5225/3.9=2, 5225/3.9=2...(13) HB3 LEU 45 - HE3 LYS 46 OK 14 67 - 21 - 2985/3.0=2, 2995/1.8=2...(10) HB3 LEU 101 - HE2 LYS 65 OK 14 100 - 14 - 4663/3.8=2, 4663/3.8=2 HG LEU 24 - HE3 LYS 46 poor 8 67 - 12 - 2217/3.0=2, 2995/1.8=1, ~2233=1 HB3 LEU 45 - HE2 LYS 65 lone 8 99 - 8 - 6840/3.8=2, 6840/3.8=2 HB3 GLU 75 - HE2 LYS 65 lone 7 99 - 7 - 4699/4696=1 QB ALA 89 - HE2 LYS 65 lone 6 100 - 6 - 2.9/5681=1 HB3 LEU 101 - HE3 LYS 46 lone 4 69 - 6 - HB3 LEU 91 - HE2 LYS 65 lone 4 93 - 4 - QB ALA 14 - HE3 LYS 46 lone 4 47 - 9 - 6306/3.9=2, 6306/3.9=2, ~8574=1 HB3 GLU 75 - HE3 LYS 46 lone 4 67 - 5 - HB2 LEU 93 - HE2 LYS 65 lone 3 78 - 4 - HG LEU 24 - HE2 LYS 65 lone 3 99 - 3 - HG3 LYS 31 - HE3 LYS 46 lone 2 51 - 4 - HB3 LEU 91 - HE3 LYS 46 lone 2 60 - 3 - QB ALA 98 - HE2 LYS 65 lone 2 83 - 2 - HG2 LYS 119 - HE2 LYS 65 lone 2 89 - 2 - HB2 LEU 51 - HE2 LYS 65 lone 1 76 - 2 - QB ALA 89 - HE3 LYS 46 lone 1 69 - 2 - QB ALA 14 - HE2 LYS 65 lone 1 78 - 1 - HG3 ARG 57 - HE2 LYS 65 lone 1 73 - 1 - HG3 ARG 57 - HE3 LYS 46 lone 1 44 - 2 - HB2 LEU 93 - HE3 LYS 46 lone 1 47 - 2 - HG3 LYS 31 - HE2 LYS 65 lone 1 83 - 1 - QB ALA 98 - HE3 LYS 46 lone 0 51 - 1 - HB2 LEU 51 - HE3 LYS 46 lone 0 45 - 0 - Peak 3648 from cnoeabs.peaks (2.56, 2.56, 41.75 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 46 - HE3 LYS 46 OK 44 44 - 100 Peak 3649 from cnoeabs.peaks (2.70, 2.56, 41.75 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HE3 LYS 65 + HE2 LYS 65 OK 100 100 - 100 - 1.8=100 HE3 LYS 65 - HE3 LYS 46 OK 18 69 - 26 - 3658=8, 3657/3.0=2...(11) HB3 ASN 106 - HE2 LYS 65 lone 2 81 - 2 - HB3 ASN 99 - HE2 LYS 65 lone 2 78 - 2 - HB3 ASN 108 - HE2 LYS 65 lone 1 71 - 2 - HB3 ASN 106 - HE3 LYS 46 lone 1 49 - 1 - HB3 ASN 108 - HE3 LYS 46 lone 0 42 - 1 - HB3 ASN 99 - HE3 LYS 46 lone 0 47 - 0 - Peak 3652 from cnoeabs.peaks (1.54, 2.70, 41.75 ppm; 4.55 A): 3 out of 5 assignments used, quality = 1.00: HB3 LYS 65 + HE3 LYS 65 OK 95 100 - 95 - 5.0=77, 3.0/3654=16...(24) * HB2 LYS 65 + HE3 LYS 65 OK 95 100 - 95 - 5.0=77, 3.0/3655=16...(24) HD3 LYS 46 + HE3 LYS 65 OK 57 90 - 63 - 2988/1.8=8, 3.0/3658=7...(28) HG12 ILE 124 - HE3 LYS 65 OK 24 99 - 24 - 5358/3.8=4, 5358/3.8=4...(11) HG3 LYS 109 - HE3 LYS 65 lone 9 100 - 9 - 5871/7217=2 Peak 3653 from cnoeabs.peaks (1.54, 2.70, 41.75 ppm; 4.55 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LYS 65 + HE3 LYS 65 OK 95 100 - 95 - 5.0=77, 3.0/3654=16...(24) HB2 LYS 65 + HE3 LYS 65 OK 95 100 - 95 - 5.0=77, 3.0/3655=16...(24) HD3 LYS 46 + HE3 LYS 65 OK 57 90 - 63 - 2988/1.8=8, 3.0/3658=7...(28) HG12 ILE 124 - HE3 LYS 65 OK 24 99 - 24 - 5358/3.8=4, 5358/3.8=4...(11) HG3 LYS 109 - HE3 LYS 65 lone 9 100 - 9 - 5871/7217=2 Peak 3654 from cnoeabs.peaks (0.98, 2.70, 41.75 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 65 + HE3 LYS 65 OK 97 100 - 97 - 3.8=93, 3644/1.8=10...(20) HG3 LYS 65 + HE3 LYS 65 OK 97 100 - 97 - 3.8=93, 3644/1.8=10...(20) QD1 LEU 101 - HE3 LYS 65 OK 16 100 - 16 - 4675/3.0=2, 4675/3.0=2...(5) QG2 ILE 124 - HE3 LYS 65 OK 13 76 - 18 - 5352/5.0=2, 5352/5.0=2...(7) QD2 LEU 58 - HE3 LYS 65 lone 5 95 - 5 - QD1 LEU 58 - HE3 LYS 65 lone 4 81 - 5 - QG1 VAL 18 - HE3 LYS 65 lone 4 100 - 4 - QG2 THR 95 - HE3 LYS 65 lone 2 99 - 2 - HB3 LEU 27 - HE3 LYS 65 lone 1 68 - 2 - Peak 3655 from cnoeabs.peaks (0.98, 2.70, 41.75 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: HG2 LYS 65 + HE3 LYS 65 OK 97 100 - 97 - 3.8=93, 3644/1.8=10...(20) * HG3 LYS 65 + HE3 LYS 65 OK 97 100 - 97 - 3.8=93, 3644/1.8=10...(20) QD1 LEU 101 - HE3 LYS 65 OK 16 100 - 16 - 4675/3.0=2, 4675/3.0=2...(5) QG2 ILE 124 - HE3 LYS 65 OK 13 76 - 18 - 5352/5.0=2, 5352/5.0=2...(7) QD2 LEU 58 - HE3 LYS 65 lone 5 95 - 5 - QD1 LEU 58 - HE3 LYS 65 lone 4 81 - 5 - QG1 VAL 18 - HE3 LYS 65 lone 4 100 - 4 - QG2 THR 95 - HE3 LYS 65 lone 2 99 - 2 - HB3 LEU 27 - HE3 LYS 65 lone 1 68 - 2 - Peak 3656 from cnoeabs.peaks (1.44, 2.70, 41.75 ppm; 3.33 A): 2 out of 16 assignments used, quality = 1.00: * HD2 LYS 65 + HE3 LYS 65 OK 100 100 - 100 - 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 - 3.0=100 HD2 LYS 46 - HE3 LYS 65 OK 42 92 - 46 - 3.0/3658=5, 2978/1.8=5...(28) HB3 LEU 101 - HE3 LYS 65 OK 15 100 - 15 - 4663/3.8=2, 4663/3.8=2...(5) HB3 LEU 45 - HE3 LYS 65 lone 9 99 - 9 - 6840/3.8=2, 6840/3.8=2 HB3 GLU 75 - HE3 LYS 65 lone 8 99 - 8 - 4699/4695=1 QB ALA 89 - HE3 LYS 65 lone 6 100 - 6 - HB3 LEU 91 - HE3 LYS 65 lone 4 93 - 4 - HB2 LEU 93 - HE3 LYS 65 lone 3 78 - 4 - HG LEU 24 - HE3 LYS 65 lone 3 99 - 3 - QB ALA 98 - HE3 LYS 65 lone 2 83 - 3 - HG2 LYS 119 - HE3 LYS 65 lone 2 89 - 2 - HB2 LEU 51 - HE3 LYS 65 lone 2 76 - 2 - HG3 ARG 57 - HE3 LYS 65 lone 1 73 - 1 - QB ALA 14 - HE3 LYS 65 lone 1 78 - 1 - HG3 LYS 31 - HE3 LYS 65 lone 1 83 - 1 - Peak 3657 from cnoeabs.peaks (1.44, 2.70, 41.75 ppm; 3.33 A): 2 out of 16 assignments used, quality = 1.00: HD2 LYS 65 + HE3 LYS 65 OK 100 100 - 100 - 3.0=100 * HD3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 - 3.0=100 HD2 LYS 46 - HE3 LYS 65 OK 42 92 - 46 - 3.0/3658=5, 2978/1.8=5...(28) HB3 LEU 101 - HE3 LYS 65 OK 15 100 - 15 - 4663/3.8=2, 4663/3.8=2...(5) HB3 LEU 45 - HE3 LYS 65 lone 9 99 - 9 - 6840/3.8=2, 6840/3.8=2 HB3 GLU 75 - HE3 LYS 65 lone 8 99 - 8 - 4699/4695=1 QB ALA 89 - HE3 LYS 65 lone 6 100 - 6 - HB3 LEU 91 - HE3 LYS 65 lone 4 93 - 4 - HB2 LEU 93 - HE3 LYS 65 lone 3 78 - 4 - HG LEU 24 - HE3 LYS 65 lone 3 99 - 3 - QB ALA 98 - HE3 LYS 65 lone 2 83 - 3 - HG2 LYS 119 - HE3 LYS 65 lone 2 89 - 2 - HB2 LEU 51 - HE3 LYS 65 lone 2 76 - 2 - HG3 ARG 57 - HE3 LYS 65 lone 1 73 - 1 - QB ALA 14 - HE3 LYS 65 lone 1 78 - 1 - HG3 LYS 31 - HE3 LYS 65 lone 1 83 - 1 - Peak 3658 from cnoeabs.peaks (2.56, 2.70, 41.75 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 65 + HE3 LYS 65 OK 100 100 - 100 - 1.8=100 HE3 LYS 46 - HE3 LYS 65 OK 18 73 - 25 - 3649=7, 3.0/3656=2...(11) HB3 ASP 36 - HE3 LYS 65 lone 1 93 - 1 - Peak 3659 from cnoeabs.peaks (2.70, 2.70, 41.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 Peak 3660 from cnoeabs.peaks (7.96, 4.21, 59.63 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 66 + HA VAL 66 OK 100 100 - 100 - 3.0=100 H LEU 114 - HA VAL 66 OK 37 97 - 38 - 3670/3.2=6, 3675/3.2=6...(13) H ARG 92 - HA VAL 66 OK 35 100 - 35 - 3.6/7176=6, 3665/3.0=5...(11) H ALA 89 - HA VAL 66 OK 21 100 - 21 - 3675/3.2=3, 3665/3.0=3...(6) H SER 44 - HA VAL 66 OK 14 93 - 15 - 3670/3.2=3, 3675/3.2=3...(6) HE ARG 85 - HA VAL 66 lone 3 83 - 4 - Peak 3661 from cnoeabs.peaks (4.21, 4.21, 59.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 66 + HA VAL 66 OK 100 100 - 100 Peak 3662 from cnoeabs.peaks (1.75, 4.21, 59.63 ppm; 3.68 A): 1 out of 16 assignments used, quality = 1.00: * HB VAL 66 + HA VAL 66 OK 100 100 - 100 - 3.0=100 HB2 LEU 91 - HA VAL 66 OK 37 95 - 39 - 3.0/7176=6, 1091/3.0=4...(16) HG LEU 117 - HA VAL 66 OK 27 92 - 29 - 3672/3.2=3, 3677/3.2=3...(13) HB2 ARG 53 - HA VAL 66 OK 25 99 - 25 - 4.0/232=3, 3672/3.2=3...(12) HB2 LEU 117 - HA VAL 66 OK 17 68 - 26 - ~7181=3, 3672/3.2=2...(13) HB2 GLU 75 - HA VAL 66 OK 16 63 - 26 - 3.0/3663=5, ~3965=2...(12) HB3 LYS 46 - HA VAL 66 OK 11 100 - 11 - 1091/3.0=2, 317/3.6=1 HG2 ARG 71 - HA VAL 66 lone 7 100 - 7 - HG2 GLN 42 - HA VAL 66 lone 7 96 - 7 - HG3 ARG 71 - HA VAL 66 lone 7 98 - 7 - HG3 PRO 30 - HA VAL 66 lone 6 90 - 7 - HB2 LEU 45 - HA VAL 66 lone 6 99 - 6 - HD2 LYS 109 - HA VAL 66 lone 5 92 - 5 - HD3 LYS 109 - HA VAL 66 lone 5 87 - 5 - HB3 ARG 71 - HA VAL 66 lone 5 85 - 5 - HB2 LYS 31 - HA VAL 66 lone 3 76 - 4 - Peak 3663 from cnoeabs.peaks (0.70, 4.21, 59.63 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 66 + HA VAL 66 OK 100 100 - 100 - 3.2=100 HG3 GLU 75 - HA VAL 66 OK 32 99 - 32 - 1092/3.0=5, 318/3.6=5...(10) QD2 LEU 54 - HA VAL 66 OK 22 97 - 23 - 3668/3.0=3, 3678/3.2=3...(10) QD1 LEU 77 - HA VAL 66 OK 18 99 - 18 - 1092/3.0=3, 3668/3.0=3...(8) QD1 LEU 114 - HA VAL 66 OK 14 63 - 23 - 1092/3.0=3, 4.4/3660=3...(10) Peak 3664 from cnoeabs.peaks (0.77, 4.21, 59.63 ppm; 3.49 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 66 + HA VAL 66 OK 100 100 - 100 - 3.2=100 QG2 ILE 63 - HA VAL 66 OK 38 96 - 40 - 7123/3.0=7, 7138/3.0=6...(15) QD1 LEU 91 - HA VAL 66 OK 19 60 - 32 - 3.9/7176=5, 3.1/3662=3...(15) QD1 ILE 22 - HA VAL 66 OK 18 63 - 28 - 2176=3, 2.1/2162=3...(12) QD2 LEU 93 - HA VAL 66 OK 11 87 - 13 - 1093/3.0=2, 3669/3.0=1...(5) HG LEU 111 - HA VAL 66 poor 9 78 - 11 - 1093/3.0=1, 7166/4.7=1...(4) QD1 LEU 111 - HA VAL 66 poor 8 73 - 10 - 1093/3.0=1 QD1 LEU 84 - HA VAL 66 lone 4 71 - 6 - Peak 3665 from cnoeabs.peaks (7.96, 1.75, 35.64 ppm; 3.65 A): 3 out of 6 assignments used, quality = 0.94: * H VAL 66 + HB VAL 66 OK 88 100 - 88 - 4.0=76, 1092/2.1=22...(4) H LEU 114 + HB VAL 66 OK 29 97 - 30 - 3670/2.1=7, 3675/2.1=7...(9) H ARG 92 + HB VAL 66 OK 29 100 - 29 - 3670/2.1=5, 3675/2.1=5...(12) H ALA 89 - HB VAL 66 OK 15 100 - 15 - 3675/2.1=3, 3670/2.1=3...(5) H SER 44 - HB VAL 66 OK 13 93 - 14 - 3670/2.1=4, 3675/2.1=3...(5) HE ARG 85 - HB VAL 66 lone 2 83 - 3 - Peak 3666 from cnoeabs.peaks (4.21, 1.75, 35.64 ppm; 3.65 A): 2 out of 11 assignments used, quality = 1.00: * HA VAL 66 + HB VAL 66 OK 100 100 - 100 - 3.0=100 HA CYS 52 + HB VAL 66 OK 70 99 - 71 - ~7191=12, 3.0/8654=12...(18) HA PRO 68 - HB VAL 66 OK 25 63 - 40 - 7223/2.1=9, ~7229=8...(11) HA ILE 22 - HB VAL 66 OK 22 100 - 22 - 3676/2.1=3, 3671/2.1=3...(12) HA ARG 92 - HB VAL 66 OK 13 60 - 21 - 3.0/3665=5, ~3675=2...(10) HA VAL 26 - HB VAL 66 OK 11 99 - 11 - 3671/2.1=2, 3676/2.1=1 HA ALA 89 - HB VAL 66 poor 8 63 - 12 - 2.9/3665=2, 3.6/7570=2...(5) HA SER 13 - HB VAL 66 lone 7 100 - 7 - 3676/2.1=1 HA LEU 126 - HB VAL 66 lone 5 99 - 5 - HA THR 17 - HB VAL 66 lone 5 83 - 5 - HA3 GLY 61 - HB VAL 66 lone 1 81 - 1 - Peak 3667 from cnoeabs.peaks (1.75, 1.75, 35.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 66 + HB VAL 66 OK 100 100 - 100 Peak 3668 from cnoeabs.peaks (0.70, 1.75, 35.64 ppm; 3.15 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 66 + HB VAL 66 OK 100 100 - 100 - 2.1=100 HG3 GLU 75 - HB VAL 66 OK 23 99 - 23 - 3678/2.1=5, 3663/3.0=3...(8) QD2 LEU 54 - HB VAL 66 OK 16 97 - 17 - 3678/2.1=3, 3663/3.0=2...(9) QD1 LEU 77 - HB VAL 66 OK 12 99 - 12 - 3678/2.1=3, 3663/3.0=2...(6) QD1 LEU 114 - HB VAL 66 poor 9 63 - 14 - 4.4/3665=2, 3678/2.1=2...(6) Peak 3669 from cnoeabs.peaks (0.77, 1.75, 35.64 ppm; 3.08 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 66 + HB VAL 66 OK 100 100 - 100 - 2.1=100 QG2 ILE 63 - HB VAL 66 OK 31 96 - 33 - 7138=6, 3674/2.1=5...(14) QD1 LEU 91 - HB VAL 66 OK 12 60 - 20 - 2.1/4402=2, 3664/3.0=2...(9) QD1 ILE 22 - HB VAL 66 OK 12 63 - 19 - 3674/2.1=2, ~7179=2...(10) QD2 LEU 93 - HB VAL 66 lone 8 87 - 9 - 3674/2.1=1, 1093/4.0=1 HG LEU 111 - HB VAL 66 lone 6 78 - 8 - 3674/2.1=1 QD1 LEU 111 - HB VAL 66 lone 6 73 - 8 - 3674/2.1=1 QD1 LEU 84 - HB VAL 66 lone 2 71 - 3 - Peak 3670 from cnoeabs.peaks (7.96, 0.70, 19.30 ppm; 3.38 A): 5 out of 6 assignments used, quality = 0.91: * H VAL 66 + QG1 VAL 66 OK 79 100 - 79 - 4.0=60, 4.4/5685=16...(6) H LEU 114 + QG1 VAL 66 OK 31 97 - 31 - 3675/2.1=6, 3.0/7193=6...(10) H ARG 92 + QG1 VAL 66 OK 20 100 - 20 - 3665/2.1=5, 3675/2.1=4...(7) H SER 44 + QG1 VAL 66 OK 15 93 - 16 - 6820/7185=7, 3675/2.1=3...(5) H ALA 89 + QG1 VAL 66 OK 12 100 - 12 - 3675/2.1=3, 3665/2.1=2...(4) HE ARG 85 - QG1 VAL 66 lone 2 83 - 3 - Peak 3671 from cnoeabs.peaks (4.21, 0.70, 19.30 ppm; 3.21 A): 2 out of 11 assignments used, quality = 1.00: * HA VAL 66 + QG1 VAL 66 OK 100 100 - 100 - 3.2=100 HA CYS 52 + QG1 VAL 66 OK 64 99 - 64 - 3.0/7182=13, 3.0/6953=11...(19) HA PRO 68 - QG1 VAL 66 OK 30 63 - 48 - 2.3/7227=8, 7223=8...(14) HA ILE 22 - QG1 VAL 66 OK 21 100 - 21 - 3676/2.1=3, 3.9/7179=2...(8) HA VAL 26 - QG1 VAL 66 OK 10 99 - 10 - 3676/2.1=1, 3666/2.1=1 HA ARG 92 - QG1 VAL 66 poor 10 60 - 17 - 3.0/3670=3, ~3665=2...(8) HA LEU 126 - QG1 VAL 66 lone 6 99 - 6 - HA SER 13 - QG1 VAL 66 lone 6 100 - 6 - HA ALA 89 - QG1 VAL 66 lone 5 63 - 8 - 2.9/3670=2, ~3675=1 HA THR 17 - QG1 VAL 66 lone 5 83 - 6 - HA3 GLY 61 - QG1 VAL 66 lone 1 81 - 1 - Peak 3672 from cnoeabs.peaks (1.75, 0.70, 19.30 ppm; 2.97 A): 1 out of 16 assignments used, quality = 1.00: * HB VAL 66 + QG1 VAL 66 OK 100 100 - 100 - 2.1=100 HG LEU 117 - QG1 VAL 66 OK 25 92 - 27 - 2.1/8012=5, 2.1/7178=4...(9) HB2 ARG 53 - QG1 VAL 66 OK 19 99 - 19 - 4.0/7202=4, 3677/2.1=2...(6) HB2 LEU 91 - QG1 VAL 66 OK 17 95 - 18 - 3677/2.1=2, 3662/3.2=2...(7) HB2 LEU 117 - QG1 VAL 66 OK 16 68 - 24 - 3.1/8012=4, 1.8/7181=3...(8) HB2 GLU 75 - QG1 VAL 66 OK 14 63 - 22 - 3.0/3953=3, 4.0/1133=3...(9) HB3 LYS 46 - QG1 VAL 66 lone 7 100 - 7 - HG2 GLN 42 - QG1 VAL 66 lone 6 96 - 6 - HG2 ARG 71 - QG1 VAL 66 lone 6 100 - 6 - HG3 ARG 71 - QG1 VAL 66 lone 6 98 - 6 - HB3 ARG 71 - QG1 VAL 66 lone 4 85 - 5 - 4.3/7285=1 HG3 PRO 30 - QG1 VAL 66 lone 4 90 - 4 - HB2 LEU 45 - QG1 VAL 66 lone 3 99 - 3 - HD2 LYS 109 - QG1 VAL 66 lone 3 92 - 4 - HD3 LYS 109 - QG1 VAL 66 lone 3 87 - 3 - HB2 LYS 31 - QG1 VAL 66 lone 3 76 - 3 - Peak 3673 from cnoeabs.peaks (0.70, 0.70, 19.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 66 + QG1 VAL 66 OK 100 100 - 100 Peak 3674 from cnoeabs.peaks (0.77, 0.70, 19.30 ppm; 2.71 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 66 + QG1 VAL 66 OK 100 100 - 100 - 2.1=100 QG2 ILE 63 - QG1 VAL 66 OK 24 96 - 25 - 3669/2.1=4, 7123/4.0=3...(9) QD1 ILE 22 - QG1 VAL 66 poor 10 63 - 15 - 2.1/7179=2, 3.0/7178=2...(4) QD1 LEU 91 - QG1 VAL 66 poor 7 60 - 12 - 3669/2.1=2, 3664/3.2=1...(4) QD2 LEU 93 - QG1 VAL 66 lone 6 87 - 7 - 3669/2.1=1 HG LEU 111 - QG1 VAL 66 lone 5 78 - 6 - QD1 LEU 111 - QG1 VAL 66 lone 5 73 - 6 - QD1 LEU 84 - QG1 VAL 66 lone 2 71 - 3 - Peak 3675 from cnoeabs.peaks (7.96, 0.77, 21.33 ppm; 3.59 A): 3 out of 6 assignments used, quality = 0.94: * H VAL 66 + QG2 VAL 66 OK 88 100 - 88 - 4.0=72, 1092/2.1=22...(8) H LEU 114 + QG2 VAL 66 OK 34 97 - 35 - 3670/2.1=7, 3.0/7194=7...(11) H ARG 92 + QG2 VAL 66 OK 24 100 - 24 - 3665/2.1=5, 3670/2.1=5...(6) H ALA 89 - QG2 VAL 66 OK 15 100 - 15 - 3670/2.1=3, 3665/2.1=3...(5) H SER 44 - QG2 VAL 66 OK 15 93 - 16 - 6820/7188=5, 3670/2.1=3...(5) HE ARG 85 - QG2 VAL 66 lone 3 83 - 4 - Peak 3676 from cnoeabs.peaks (4.21, 0.77, 21.33 ppm; 3.21 A): 2 out of 11 assignments used, quality = 1.00: * HA VAL 66 + QG2 VAL 66 OK 100 100 - 100 - 3.2=100 HA CYS 52 + QG2 VAL 66 OK 65 99 - 65 - 3.0/7191=18, 3.0/7189=10...(17) HA PRO 68 - QG2 VAL 66 OK 23 63 - 37 - 7223/2.1=7, ~7229=6...(12) HA ILE 22 - QG2 VAL 66 OK 22 100 - 22 - 3.2/7192=3, 3671/2.1=3...(8) HA VAL 26 - QG2 VAL 66 lone 9 99 - 9 - 3671/2.1=1, 3666/2.1=1 HA ARG 92 - QG2 VAL 66 poor 9 60 - 16 - 3.0/3675=3, ~3665=2...(7) HA SER 13 - QG2 VAL 66 lone 7 100 - 7 - 3.0/6290=1 HA ALA 89 - QG2 VAL 66 lone 6 63 - 9 - 2.9/3675=2 HA THR 17 - QG2 VAL 66 lone 5 83 - 6 - HA LEU 126 - QG2 VAL 66 lone 5 99 - 5 - HA3 GLY 61 - QG2 VAL 66 lone 1 81 - 1 - Peak 3677 from cnoeabs.peaks (1.75, 0.77, 21.33 ppm; 3.06 A): 1 out of 16 assignments used, quality = 1.00: * HB VAL 66 + QG2 VAL 66 OK 100 100 - 100 - 2.1=100 HG LEU 117 - QG2 VAL 66 OK 25 92 - 27 - 2.1/7192=4, 3672/2.1=3...(9) HB2 LEU 91 - QG2 VAL 66 OK 19 95 - 20 - 3662/3.2=2, 3672/2.1=2...(6) HB2 LEU 117 - QG2 VAL 66 OK 16 68 - 23 - 3.1/7192=3, ~7181=2...(9) HB2 ARG 53 - QG2 VAL 66 OK 15 99 - 15 - 3672/2.1=3, 3.6/7189=2...(5) HB2 GLU 75 - QG2 VAL 66 OK 13 63 - 21 - 3.0/3678=3, ~3965=2...(9) HB3 LYS 46 - QG2 VAL 66 lone 6 100 - 6 - 1091/4.0=1 HG2 GLN 42 - QG2 VAL 66 lone 6 96 - 6 - HG2 ARG 71 - QG2 VAL 66 lone 5 100 - 5 - HG3 ARG 71 - QG2 VAL 66 lone 5 98 - 5 - HG3 PRO 30 - QG2 VAL 66 lone 4 90 - 4 - HB3 ARG 71 - QG2 VAL 66 lone 4 85 - 4 - HB2 LEU 45 - QG2 VAL 66 lone 3 99 - 3 - HD2 LYS 109 - QG2 VAL 66 lone 3 92 - 3 - HD3 LYS 109 - QG2 VAL 66 lone 3 87 - 3 - HB2 LYS 31 - QG2 VAL 66 lone 2 76 - 3 - Peak 3678 from cnoeabs.peaks (0.70, 0.77, 21.33 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 66 + QG2 VAL 66 OK 100 100 - 100 - 2.1=100 HG3 GLU 75 - QG2 VAL 66 OK 19 99 - 19 - 3668/2.1=3, 3663/3.2=2...(9) QD2 LEU 54 - QG2 VAL 66 OK 14 97 - 14 - 3668/2.1=2, 3.1/8436=2...(5) QD1 LEU 77 - QG2 VAL 66 OK 10 99 - 10 - 3668/2.1=2, 3663/3.2=1 QD1 LEU 114 - QG2 VAL 66 poor 8 63 - 13 - 4.0/7194=3, 4.4/3675=2...(5) Peak 3679 from cnoeabs.peaks (0.77, 0.77, 21.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 66 + QG2 VAL 66 OK 100 100 - 100 Peak 3680 from cnoeabs.peaks (9.60, 4.82, 55.33 ppm; 5.98 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 67 + HA TYR 67 OK 100 100 - 100 - 3.0=100 H TYR 67 - HA PHE 96 OK 39 72 - 54 - 1095=10, 7206/2.9=8...(13) Peak 3681 from cnoeabs.peaks (4.82, 4.82, 55.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA TYR 67 + HA TYR 67 OK 100 100 - 100 HA PHE 96 + HA PHE 96 OK 62 62 - 100 Peak 3682 from cnoeabs.peaks (2.84, 4.82, 55.33 ppm; 4.19 A): 3 out of 20 assignments used, quality = 1.00: * HB2 TYR 67 + HA TYR 67 OK 100 100 - 100 - 3.0=100 HB3 TYR 67 + HA TYR 67 OK 100 100 - 100 - 3.0=100 HB2 ASN 79 + HA TYR 67 OK 55 100 - 56 - ~8141=12, ~8142=10...(20) HB3 PHE 107 - HA TYR 67 OK 32 100 - 32 - 4840/3.7=6, 2.4/3685=5...(11) HB3 TYR 67 - HA PHE 96 OK 24 72 - 33 - 3.8/1095=5, 3693=4...(12) HB2 TYR 67 - HA PHE 96 OK 24 72 - 33 - 3.8/1095=5, 3693=4...(12) HB2 ASN 99 - HA TYR 67 OK 17 100 - 17 - 4.1/8699=4, 3707/3.7=2...(8) HB2 ASN 79 - HA PHE 96 OK 15 71 - 21 - ~473=5, ~4060=4, ~472=3...(8) HB2 CYS 76 - HA TYR 67 lone 7 83 - 9 - 7328/3.7=2, ~6102=1...(5) HG CYS 52 - HA TYR 67 lone 5 95 - 6 - 1096/3.0=2, ~6954=1 HB2 ASN 99 - HA PHE 96 lone 5 71 - 7 - 4.1/8699=5 HB2 ASP 36 - HA TYR 67 lone 5 100 - 5 - ~2648=1 HE3 LYS 119 - HA TYR 67 lone 2 76 - 2 - HE2 LYS 119 - HA TYR 67 lone 2 73 - 2 - HB3 PHE 107 - HA PHE 96 lone 1 70 - 2 - HB2 CYS 76 - HA PHE 96 lone 1 52 - 3 - ~7330=1 HE3 LYS 119 - HA PHE 96 lone 1 47 - 1 - HG CYS 52 - HA PHE 96 lone 1 63 - 1 - HE2 LYS 119 - HA PHE 96 lone 1 45 - 1 - HB2 ASP 36 - HA PHE 96 lone 1 71 - 1 - Peak 3683 from cnoeabs.peaks (2.84, 4.82, 55.33 ppm; 4.19 A): 3 out of 20 assignments used, quality = 1.00: HB2 TYR 67 + HA TYR 67 OK 100 100 - 100 - 3.0=100 * HB3 TYR 67 + HA TYR 67 OK 100 100 - 100 - 3.0=100 HB2 ASN 79 + HA TYR 67 OK 55 100 - 56 - ~8141=12, ~8142=10...(20) HB3 PHE 107 - HA TYR 67 OK 32 100 - 32 - 4840/3.7=6, 2.4/3685=5...(11) HB3 TYR 67 - HA PHE 96 OK 24 72 - 33 - 3.8/1095=5, 3693=4...(12) HB2 TYR 67 - HA PHE 96 OK 24 72 - 33 - 3.8/1095=5, 3693=4...(12) HB2 ASN 99 - HA TYR 67 OK 17 100 - 17 - 4.1/8699=4, 3707/3.7=2...(8) HB2 ASN 79 - HA PHE 96 OK 15 71 - 21 - ~473=5, ~4060=4, ~472=3...(8) HB2 CYS 76 - HA TYR 67 lone 7 83 - 9 - 7328/3.7=2, ~6102=1...(5) HG CYS 52 - HA TYR 67 lone 5 95 - 6 - 1096/3.0=2, ~6954=1 HB2 ASN 99 - HA PHE 96 lone 5 71 - 7 - 4.1/8699=5 HB2 ASP 36 - HA TYR 67 lone 5 100 - 5 - ~2648=1 HE3 LYS 119 - HA TYR 67 lone 2 76 - 2 - HE2 LYS 119 - HA TYR 67 lone 2 73 - 2 - HB3 PHE 107 - HA PHE 96 lone 1 70 - 2 - HB2 CYS 76 - HA PHE 96 lone 1 52 - 3 - ~7330=1 HE3 LYS 119 - HA PHE 96 lone 1 47 - 1 - HG CYS 52 - HA PHE 96 lone 1 63 - 1 - HE2 LYS 119 - HA PHE 96 lone 1 45 - 1 - HB2 ASP 36 - HA PHE 96 lone 1 71 - 1 - Peak 3685 from cnoeabs.peaks (7.20, 4.82, 55.33 ppm; 4.26 A): 1 out of 12 assignments used, quality = 1.00: * QD TYR 67 + HA TYR 67 OK 100 100 - 100 - 3.7=100 QD PHE 107 - HA TYR 67 OK 31 92 - 34 - 1099/3.0=7, 4617/3.0=6...(11) H LYS 65 - HA TYR 67 OK 15 97 - 15 - 1099/3.0=6, 3703/5.6=3...(6) QD TYR 67 - HA PHE 96 OK 13 71 - 18 - 3705=5, 4.5/1095=5...(4) QD TYR 102 - HA TYR 67 lone 8 83 - 10 - 1099/3.0=2, ~4752=1, ~7749=1 H LYS 65 - HA PHE 96 lone 5 65 - 8 - 7162/3.0=3, ~7642=2 QE PHE 40 - HA PHE 96 lone 5 57 - 8 - 2767/3.7=3, 4681/3.0=1 QE PHE 40 - HA TYR 67 lone 4 89 - 4 - 1099/3.0=1 HE ARG 81 - HA TYR 67 lone 3 81 - 4 - 1099/3.0=1 QD TYR 102 - HA PHE 96 lone 2 52 - 4 - QD PHE 107 - HA PHE 96 lone 2 60 - 3 - HE ARG 81 - HA PHE 96 lone 0 51 - 1 - Peak 3686 from cnoeabs.peaks (9.60, 2.84, 37.85 ppm; 4.44 A): 3 out of 3 assignments used, quality = 1.00: H TYR 67 + HB3 TYR 67 OK 100 100 - 100 - 3.8=100 * H TYR 67 + HB2 TYR 67 OK 100 100 - 100 - 3.8=100 H TYR 67 + HB2 ASN 79 OK 61 100 - 61 - 8141/3.5=27, 8142/3.5=22...(9) Peak 3687 from cnoeabs.peaks (4.82, 2.84, 37.85 ppm; 4.37 A): 3 out of 9 assignments used, quality = 1.00: HA TYR 67 + HB3 TYR 67 OK 100 100 - 100 - 3.0=100 * HA TYR 67 + HB2 TYR 67 OK 100 100 - 100 - 3.0=100 HA TYR 67 + HB2 ASN 79 OK 59 100 - 59 - ~8141=13, ~8142=11...(20) HA PHE 96 - HB3 TYR 67 OK 32 93 - 34 - 1095/3.8=6, 3705/2.6=4...(13) HA PHE 96 - HB2 TYR 67 OK 32 93 - 34 - 1095/3.8=6, 3705/2.6=4...(13) HA PHE 96 - HB2 ASN 79 OK 21 92 - 23 - ~473=5, ~4060=4, ~472=3...(9) HA ASP 97 - HB3 TYR 67 OK 12 81 - 15 - ~476=3, 1095/3.8=2...(8) HA ASP 97 - HB2 TYR 67 OK 12 81 - 15 - ~476=3, 1095/3.8=2...(8) HA ASP 97 - HB2 ASN 79 lone 3 79 - 4 - 8699/1263=1 Peak 3688 from cnoeabs.peaks (2.84, 2.84, 37.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 TYR 67 + HB3 TYR 67 OK 100 100 - 100 * HB2 TYR 67 + HB2 TYR 67 OK 100 100 - 100 HB2 ASN 79 + HB2 ASN 79 OK 99 99 - 100 Peak 3689 from cnoeabs.peaks (2.84, 2.84, 37.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 TYR 67 + HB3 TYR 67 OK 100 100 - 100 HB2 TYR 67 + HB2 TYR 67 OK 100 100 - 100 HB2 ASN 79 + HB2 ASN 79 OK 99 99 - 100 Reference assignment not found: HB3 TYR 67 - HB2 TYR 67 Peak 3691 from cnoeabs.peaks (7.20, 2.84, 37.85 ppm; 3.66 A): 5 out of 18 assignments used, quality = 1.00: * QD TYR 67 + HB2 TYR 67 OK 100 100 - 100 - 2.6=100 QD TYR 67 + HB3 TYR 67 OK 100 100 - 100 - 2.6=100 QD PHE 107 + HB3 TYR 67 OK 51 92 - 56 - 4617=7, 4617/1.8=6...(22) QD PHE 107 + HB2 TYR 67 OK 51 92 - 56 - 4617=7, 4617/1.8=6...(22) QD TYR 67 + HB2 ASN 79 OK 46 100 - 47 - 4816/3.5=7, 7378/3.9=7...(18) H LYS 65 - HB2 TYR 67 OK 21 97 - 22 - ~4682=4, 1099/3.8=4...(5) H LYS 65 - HB3 TYR 67 OK 21 97 - 22 - ~4682=4, 1099/3.8=4...(5) QD PHE 107 - HB2 ASN 79 OK 14 91 - 15 - 4617=2, 7378/3.9=1...(4) QD TYR 102 - HB2 ASN 79 OK 13 82 - 16 - 7378/3.9=3, 2.2/4752=2...(7) QD TYR 102 - HB2 TYR 67 OK 12 83 - 15 - 2.2/4752=2, ~4752=1...(5) QD TYR 102 - HB3 TYR 67 OK 12 83 - 15 - 2.2/4752=2, ~4752=1...(5) H LYS 65 - HB2 ASN 79 lone 8 96 - 9 - 7378/3.9=3, 8146/3.5=1 QE PHE 40 - HB2 TYR 67 lone 5 89 - 5 - QE PHE 40 - HB3 TYR 67 lone 5 89 - 5 - HE ARG 81 - HB2 TYR 67 lone 4 81 - 5 - HE ARG 81 - HB3 TYR 67 lone 4 81 - 5 - QE PHE 40 - HB2 ASN 79 lone 4 87 - 4 - 7378/3.9=2 HE ARG 81 - HB2 ASN 79 lone 2 79 - 2 - Peak 3692 from cnoeabs.peaks (9.60, 2.84, 37.85 ppm; 4.44 A): 3 out of 3 assignments used, quality = 1.00: * H TYR 67 + HB3 TYR 67 OK 100 100 - 100 - 3.8=100 H TYR 67 + HB2 TYR 67 OK 100 100 - 100 - 3.8=100 H TYR 67 + HB2 ASN 79 OK 61 100 - 61 - 8141/3.5=27, 8142/3.5=22...(9) Peak 3693 from cnoeabs.peaks (4.82, 2.84, 37.85 ppm; 4.37 A): 3 out of 9 assignments used, quality = 1.00: * HA TYR 67 + HB3 TYR 67 OK 100 100 - 100 - 3.0=100 HA TYR 67 + HB2 TYR 67 OK 100 100 - 100 - 3.0=100 HA TYR 67 + HB2 ASN 79 OK 59 100 - 59 - ~8141=13, ~8142=11...(20) HA PHE 96 - HB3 TYR 67 OK 32 93 - 34 - 1095/3.8=6, 3705/2.6=4...(13) HA PHE 96 - HB2 TYR 67 OK 32 93 - 34 - 1095/3.8=6, 3705/2.6=4...(13) HA PHE 96 - HB2 ASN 79 OK 21 92 - 23 - ~473=5, ~4060=4, ~472=3...(9) HA ASP 97 - HB3 TYR 67 OK 12 81 - 15 - ~476=3, 1095/3.8=2...(8) HA ASP 97 - HB2 TYR 67 OK 12 81 - 15 - ~476=3, 1095/3.8=2...(8) HA ASP 97 - HB2 ASN 79 lone 3 79 - 4 - 8699/1263=1 Peak 3694 from cnoeabs.peaks (2.84, 2.84, 37.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 TYR 67 + HB3 TYR 67 OK 100 100 - 100 HB2 TYR 67 + HB2 TYR 67 OK 100 100 - 100 HB2 ASN 79 + HB2 ASN 79 OK 99 99 - 100 Reference assignment not found: HB2 TYR 67 - HB3 TYR 67 Peak 3695 from cnoeabs.peaks (2.84, 2.84, 37.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 67 + HB3 TYR 67 OK 100 100 - 100 HB2 TYR 67 + HB2 TYR 67 OK 100 100 - 100 HB2 ASN 79 + HB2 ASN 79 OK 99 99 - 100 Peak 3697 from cnoeabs.peaks (7.20, 2.84, 37.85 ppm; 3.66 A): 5 out of 18 assignments used, quality = 1.00: QD TYR 67 + HB2 TYR 67 OK 100 100 - 100 - 2.6=100 * QD TYR 67 + HB3 TYR 67 OK 100 100 - 100 - 2.6=100 QD PHE 107 + HB3 TYR 67 OK 51 92 - 56 - 4617=7, 4617/1.8=6...(22) QD PHE 107 + HB2 TYR 67 OK 51 92 - 56 - 4617=7, 4617/1.8=6...(22) QD TYR 67 + HB2 ASN 79 OK 46 100 - 47 - 4816/3.5=7, 7378/3.9=7...(18) H LYS 65 - HB2 TYR 67 OK 21 97 - 22 - ~4682=4, 1099/3.8=4...(5) H LYS 65 - HB3 TYR 67 OK 21 97 - 22 - ~4682=4, 1099/3.8=4...(5) QD PHE 107 - HB2 ASN 79 OK 14 91 - 15 - 4617=2, 7378/3.9=1...(4) QD TYR 102 - HB2 ASN 79 OK 13 82 - 16 - 7378/3.9=3, 2.2/4752=2...(7) QD TYR 102 - HB2 TYR 67 OK 12 83 - 15 - 2.2/4752=2, ~4752=1...(5) QD TYR 102 - HB3 TYR 67 OK 12 83 - 15 - 2.2/4752=2, ~4752=1...(5) H LYS 65 - HB2 ASN 79 lone 8 96 - 9 - 7378/3.9=3, 8146/3.5=1 QE PHE 40 - HB2 TYR 67 lone 5 89 - 5 - QE PHE 40 - HB3 TYR 67 lone 5 89 - 5 - HE ARG 81 - HB2 TYR 67 lone 4 81 - 5 - HE ARG 81 - HB3 TYR 67 lone 4 81 - 5 - QE PHE 40 - HB2 ASN 79 lone 4 87 - 4 - 7378/3.9=2 HE ARG 81 - HB2 ASN 79 lone 2 79 - 2 - Peak 3700 from cnoeabs.peaks (2.84, 6.79, 117.82 ppm; 4.56 A): 2 out of 10 assignments used, quality = 0.99: * HB2 TYR 67 + QE TYR 67 OK 88 88 - 100 - 4.5=100 HB3 TYR 67 + QE TYR 67 OK 88 88 - 100 - 4.5=100 HB3 PHE 107 - QE TYR 67 OK 39 87 - 45 - 3.0/6193=11, 4840/2.2=9...(9) HB2 ASN 79 - QE TYR 67 OK 36 87 - 41 - 3.9/7379=10, ~4816=6...(8) HB2 ASN 99 - QE TYR 67 OK 20 88 - 23 - 1.8/4695=8, 3707/2.2=3...(8) HB2 ASP 36 - QE TYR 67 lone 6 88 - 7 - 1.8/4696=3, 3706/2.2=1 HB2 CYS 76 - QE TYR 67 lone 5 67 - 7 - 7328/2.2=3 HG CYS 52 - QE TYR 67 lone 4 79 - 5 - HE3 LYS 119 - QE TYR 67 lone 2 61 - 3 - HE2 LYS 119 - QE TYR 67 lone 2 58 - 3 - Peak 3701 from cnoeabs.peaks (2.84, 6.79, 117.82 ppm; 4.56 A): 2 out of 10 assignments used, quality = 0.99: HB2 TYR 67 + QE TYR 67 OK 88 88 - 100 - 4.5=100 * HB3 TYR 67 + QE TYR 67 OK 88 88 - 100 - 4.5=100 HB3 PHE 107 - QE TYR 67 OK 39 87 - 45 - 3.0/6193=11, 4840/2.2=9...(9) HB2 ASN 79 - QE TYR 67 OK 36 87 - 41 - 3.9/7379=10, ~4816=6...(8) HB2 ASN 99 - QE TYR 67 OK 20 88 - 23 - 1.8/4695=8, 3707/2.2=3...(8) HB2 ASP 36 - QE TYR 67 lone 6 88 - 7 - 1.8/4696=3, 3706/2.2=1 HB2 CYS 76 - QE TYR 67 lone 5 67 - 7 - 7328/2.2=3 HG CYS 52 - QE TYR 67 lone 4 79 - 5 - HE3 LYS 119 - QE TYR 67 lone 2 61 - 3 - HE2 LYS 119 - QE TYR 67 lone 2 58 - 3 - Peak 3702 from cnoeabs.peaks (6.79, 6.79, 117.82 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * QE TYR 67 + QE TYR 67 OK 88 88 - 100 Peak 3703 from cnoeabs.peaks (7.20, 6.79, 117.82 ppm; 3.10 A): 3 out of 6 assignments used, quality = 0.93: * QD TYR 67 + QE TYR 67 OK 88 88 - 100 - 2.2=100 QD PHE 107 + QE TYR 67 OK 27 76 - 36 - 3.7/6193=4, ~4833=3...(17) H LYS 65 + QE TYR 67 OK 25 82 - 31 - 3.0/4683=6, 7.3/7217=4...(9) QD TYR 102 - QE TYR 67 poor 7 67 - 10 - QE PHE 40 - QE TYR 67 lone 4 73 - 5 - HE ARG 81 - QE TYR 67 lone 2 65 - 4 - Peak 3704 from cnoeabs.peaks (9.60, 7.20, 133.87 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 67 + QD TYR 67 OK 100 100 - 100 - 4.5=100 Peak 3705 from cnoeabs.peaks (4.82, 7.20, 133.87 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 67 + QD TYR 67 OK 100 100 - 100 - 3.7=100 HA PHE 96 - QD TYR 67 OK 17 92 - 19 - 1095/4.5=6, 3687/2.6=3...(5) HA ASP 97 - QD TYR 67 lone 7 79 - 8 - 1095/4.5=2, 4.8/3685=2...(4) Peak 3706 from cnoeabs.peaks (2.84, 7.20, 133.87 ppm; 4.32 A): 4 out of 10 assignments used, quality = 1.00: * HB2 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 HB3 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 HB3 PHE 107 + QD TYR 67 OK 62 99 - 63 - 1.8/4833=10, 4840=9...(19) HB2 ASN 79 + QD TYR 67 OK 58 99 - 58 - 3.5/4816=10, 3.9/7378=9...(18) HB2 ASN 99 - QD TYR 67 OK 32 99 - 32 - ~4695=5, 4840=3...(13) HB2 CYS 76 - QD TYR 67 OK 12 81 - 14 - 7328=2, ~6102=2, ~6101=2...(5) HB2 ASP 36 - QD TYR 67 OK 11 99 - 11 - ~4696=2, ~7218=2...(4) HG CYS 52 - QD TYR 67 lone 9 93 - 10 - 1097/4.5=1, ~6954=1, ~6955=1 HE3 LYS 119 - QD TYR 67 lone 3 74 - 4 - HE2 LYS 119 - QD TYR 67 lone 3 72 - 4 - Peak 3707 from cnoeabs.peaks (2.84, 7.20, 133.87 ppm; 4.32 A): 4 out of 10 assignments used, quality = 1.00: HB2 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 * HB3 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 HB3 PHE 107 + QD TYR 67 OK 62 99 - 63 - 1.8/4833=10, 4840=9...(19) HB2 ASN 79 + QD TYR 67 OK 58 99 - 58 - 3.5/4816=10, 3.9/7378=9...(18) HB2 ASN 99 - QD TYR 67 OK 32 99 - 32 - ~4695=5, 4840=3...(13) HB2 CYS 76 - QD TYR 67 OK 12 81 - 14 - 7328=2, ~6102=2, ~6101=2...(5) HB2 ASP 36 - QD TYR 67 OK 11 99 - 11 - ~4696=2, ~7218=2...(4) HG CYS 52 - QD TYR 67 lone 9 93 - 10 - 1097/4.5=1, ~6954=1, ~6955=1 HE3 LYS 119 - QD TYR 67 lone 3 74 - 4 - HE2 LYS 119 - QD TYR 67 lone 3 72 - 4 - Peak 3708 from cnoeabs.peaks (6.79, 7.20, 133.87 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * QE TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.2=100 H VAL 110 - QD TYR 67 OK 31 100 - 31 - 7850=6, 4.0/7855=5...(9) HH2 TRP 20 - QD TYR 67 OK 18 99 - 18 - ~2087=2, ~2077=2...(5) HE21 GLN 42 - QD TYR 67 OK 18 72 - 24 - 3.5/6780=4, 6781=4...(8) HD22 ASN 99 - QD TYR 67 OK 15 67 - 23 - ~4695=3, ~673=2...(9) Peak 3709 from cnoeabs.peaks (7.20, 7.20, 133.87 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD TYR 67 + QD TYR 67 OK 99 99 - 100 Peak 3710 from cnoeabs.peaks (4.18, 3.91, 51.16 ppm; 4.12 A): 4 out of 20 assignments used, quality = 1.00: * HA PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.6=100 HA PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.6=100 HA VAL 66 + HD2 PRO 68 OK 46 63 - 74 - 5683/4.8=15, 3.2/7186=9...(25) HA VAL 66 + HD3 PRO 68 OK 46 63 - 74 - 5683/4.8=15, 3.2/7186=9...(25) HA GLU 56 - HD2 PRO 68 OK 40 87 - 47 - 7023=5, 3731/3.0=5...(20) HA GLU 56 - HD3 PRO 68 OK 40 87 - 47 - 7023=5, 3731/3.0=5...(19) HA ARG 92 - HD2 PRO 68 OK 28 100 - 28 - 4416/2.3=5, 3738/3.0=4...(12) HA ARG 92 - HD3 PRO 68 OK 28 100 - 28 - 4416/2.3=5, 3738/3.0=4...(12) HA GLU 28 - HD2 PRO 68 OK 20 60 - 33 - 3738/3.0=3, 2307/2.3=3...(20) HA GLU 28 - HD3 PRO 68 OK 20 60 - 33 - 3738/3.0=3, 2307/2.3=3...(20) HA ILE 22 - HD2 PRO 68 poor 7 60 - 11 - HA ILE 22 - HD3 PRO 68 poor 7 60 - 11 - HA LEU 126 - HD2 PRO 68 lone 4 78 - 6 - ~8128=1 HA3 GLY 61 - HD2 PRO 68 lone 4 99 - 4 - 3.6/1064=2 HA LEU 126 - HD3 PRO 68 lone 4 78 - 6 - ~8128=1 HA3 GLY 61 - HD3 PRO 68 lone 4 99 - 4 - 3.6/1064=2 HA SER 78 - HD2 PRO 68 lone 3 85 - 4 - HA SER 78 - HD3 PRO 68 lone 3 85 - 3 - HA SER 13 - HD2 PRO 68 lone 1 60 - 2 - HA SER 13 - HD3 PRO 68 lone 1 60 - 2 - Peak 3711 from cnoeabs.peaks (2.23, 3.91, 51.16 ppm; 3.78 A): 2 out of 24 assignments used, quality = 1.00: * HB2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.0=100 HB2 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.0=100 HG3 GLU 28 - HD2 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HG3 GLU 28 - HD3 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HG2 GLU 28 - HD2 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HG2 GLU 28 - HD3 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HB2 PRO 70 - HD2 PRO 68 OK 32 97 - 33 - 3739/3.0=4, 3725/3.6=4...(17) HB2 PRO 70 - HD3 PRO 68 OK 32 97 - 33 - 3739/3.0=4, 3725/3.6=4...(17) HG2 GLU 56 - HD2 PRO 68 OK 29 96 - 31 - 4.0/7023=3, 1.8/8732=3...(15) HG2 GLU 56 - HD3 PRO 68 OK 29 95 - 31 - 4.0/7023=3, 1.8/8732=3...(15) HG2 GLU 94 - HD2 PRO 68 OK 20 100 - 20 - 3739/3.0=2, 3753/2.3=2...(6) HG2 GLU 94 - HD3 PRO 68 OK 20 100 - 20 - 3739/3.0=2, 3753/2.3=2...(6) HB3 LEU 117 - HD2 PRO 68 OK 16 100 - 16 - ~7226=2, 3739/3.0=2...(8) HB3 LEU 117 - HD3 PRO 68 OK 16 100 - 16 - ~7226=2, 3739/3.0=2...(8) HG2 GLU 38 - HD2 PRO 68 lone 6 99 - 6 - HG3 GLU 38 - HD2 PRO 68 lone 6 99 - 6 - HG2 GLU 38 - HD3 PRO 68 lone 6 99 - 6 - HG3 GLU 38 - HD3 PRO 68 lone 6 99 - 6 - HB3 PRO 37 - HD2 PRO 68 lone 4 85 - 5 - HB3 PRO 37 - HD3 PRO 68 lone 4 85 - 5 - HG3 GLU 64 - HD2 PRO 68 lone 3 100 - 3 - HG3 GLU 64 - HD3 PRO 68 lone 3 100 - 3 - HG3 GLU 15 - HD2 PRO 68 lone 3 89 - 3 - HG3 GLU 15 - HD3 PRO 68 lone 3 88 - 3 - Peak 3712 from cnoeabs.peaks (1.98, 3.91, 51.16 ppm; 3.13 A): 4 out of 28 assignments used, quality = 1.00: * HB3 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.0=100 HB3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.0=100 HG2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 2.3=100 HG2 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 2.3=100 HB2 LEU 55 - HD2 PRO 68 OK 28 87 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HB2 LEU 55 - HD3 PRO 68 OK 27 87 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HG LEU 114 - HD2 PRO 68 OK 25 100 - 25 - ~7958=2, ~7227=2, 3751=2...(15) HG LEU 114 - HD3 PRO 68 OK 25 100 - 25 - ~7958=2, 3751=2, ~7227=2...(15) HB2 LYS 46 - HD2 PRO 68 OK 23 92 - 25 - 1.8/6865=3, 6864/1.8=2...(10) HB2 LYS 46 - HD3 PRO 68 OK 23 92 - 25 - 1.8/6865=3, 6864/1.8=2...(10) HG2 PRO 60 - HD2 PRO 68 OK 23 97 - 24 - 3751=3, 3749/2.3=2...(14) HG2 PRO 60 - HD3 PRO 68 OK 23 97 - 24 - 3751=3, 3749/2.3=2...(14) HB2 GLU 94 - HD3 PRO 68 OK 16 92 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB2 GLU 94 - HD2 PRO 68 OK 16 92 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB3 GLU 94 - HD2 PRO 68 poor 10 60 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB3 GLU 94 - HD3 PRO 68 poor 10 60 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB ILE 124 - HD2 PRO 68 lone 8 100 - 8 - HB ILE 124 - HD3 PRO 68 lone 8 100 - 8 - HB2 LEU 41 - HD2 PRO 68 lone 7 100 - 7 - HB2 LEU 41 - HD3 PRO 68 lone 7 100 - 7 - HG LEU 45 - HD3 PRO 68 lone 3 96 - 3 - HG LEU 45 - HD2 PRO 68 lone 3 97 - 3 - HB2 MET 11 - HD2 PRO 68 lone 2 100 - 2 - HB2 MET 11 - HD3 PRO 68 lone 2 100 - 2 - HB3 GLN 103 - HD3 PRO 68 lone 2 100 - 2 - HB3 GLN 103 - HD2 PRO 68 lone 2 100 - 2 - HB2 ARG 71 - HD2 PRO 68 lone 2 98 - 2 - HB2 ARG 71 - HD3 PRO 68 lone 2 98 - 2 - Peak 3713 from cnoeabs.peaks (1.98, 3.91, 51.16 ppm; 3.13 A): 4 out of 28 assignments used, quality = 1.00: * HG2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 2.3=100 HG2 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 2.3=100 HB3 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.0=100 HB3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.0=100 HB2 LEU 55 - HD2 PRO 68 OK 26 81 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HB2 LEU 55 - HD3 PRO 68 OK 25 80 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HG LEU 114 - HD2 PRO 68 OK 25 100 - 25 - ~7958=2, 3751=2, ~7227=2...(15) HG LEU 114 - HD3 PRO 68 OK 25 100 - 25 - ~7958=2, 3751=2, ~7227=2...(15) HG2 PRO 60 - HD2 PRO 68 OK 22 95 - 24 - 3751=3, 3749/2.3=2...(14) HG2 PRO 60 - HD3 PRO 68 OK 22 94 - 24 - 3751=3, 3749/2.3=2...(14) HB2 LYS 46 - HD2 PRO 68 OK 22 87 - 25 - 1.8/6865=3, 6864/1.8=2...(10) HB2 LYS 46 - HD3 PRO 68 OK 22 87 - 25 - 1.8/6865=3, 6864/1.8=2...(10) HB2 GLU 94 - HD2 PRO 68 OK 15 87 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB2 GLU 94 - HD3 PRO 68 OK 14 87 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB3 GLU 94 - HD2 PRO 68 OK 12 68 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB3 GLU 94 - HD3 PRO 68 OK 12 68 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB ILE 124 - HD2 PRO 68 lone 8 100 - 8 - HB ILE 124 - HD3 PRO 68 lone 8 100 - 8 - HB2 LEU 41 - HD2 PRO 68 lone 7 100 - 7 - HB2 LEU 41 - HD3 PRO 68 lone 7 100 - 7 - HG LEU 45 - HD3 PRO 68 lone 3 99 - 3 - HG LEU 45 - HD2 PRO 68 lone 3 99 - 3 - HB2 ARG 71 - HD2 PRO 68 lone 2 99 - 2 - HB2 ARG 71 - HD3 PRO 68 lone 2 99 - 2 - HB2 MET 11 - HD2 PRO 68 lone 2 99 - 2 - HB2 MET 11 - HD3 PRO 68 lone 2 99 - 2 - HB3 GLN 103 - HD3 PRO 68 lone 2 100 - 2 - HB3 GLN 103 - HD2 PRO 68 lone 2 100 - 2 - Peak 3714 from cnoeabs.peaks (1.87, 3.91, 51.16 ppm; 3.27 A): 2 out of 24 assignments used, quality = 1.00: * HG3 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 2.3=100 HG3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 2.3=100 HG LEU 55 - HD2 PRO 68 OK 39 93 - 42 - 3758=5, 3742/3.0=4...(20) HG LEU 55 - HD3 PRO 68 OK 39 93 - 42 - 3758=5, 3742/3.0=4...(20) HB3 GLU 28 - HD2 PRO 68 OK 31 100 - 31 - 3742/3.0=4, 3735/3.0=4...(11) HB3 GLU 28 - HD3 PRO 68 OK 31 100 - 31 - 3742/3.0=4, 3735/3.0=4...(11) HB2 ARG 92 - HD2 PRO 68 OK 21 99 - 21 - 4423/3.6=3, 3742/3.0=3...(7) HB2 ARG 92 - HD3 PRO 68 OK 21 99 - 21 - 4423/3.6=3, 3742/3.0=3...(7) HB3 LYS 109 - HD3 PRO 68 OK 14 100 - 14 - 8452/3.8=3, 3735/3.0=1...(4) HB3 LYS 109 - HD2 PRO 68 OK 14 100 - 14 - 8452/3.8=3, 2.9/6206=1...(4) HG LEU 84 - HD2 PRO 68 OK 10 87 - 12 - ~7232=2, 2.1/7487=2, ~7487=1 HG LEU 84 - HD3 PRO 68 OK 10 87 - 12 - ~7232=2, 2.1/7487=2, ~7487=1 HG12 ILE 22 - HD2 PRO 68 lone 7 81 - 8 - HG12 ILE 22 - HD3 PRO 68 lone 7 80 - 8 - HB2 LEU 58 - HD2 PRO 68 lone 5 100 - 5 - HB2 LEU 58 - HD3 PRO 68 lone 5 100 - 5 - HB VAL 50 - HD2 PRO 68 lone 4 92 - 5 - HB VAL 50 - HD3 PRO 68 lone 4 92 - 5 - HB3 LYS 31 - HD2 PRO 68 lone 4 92 - 4 - HB3 LYS 31 - HD3 PRO 68 lone 4 92 - 4 - HB2 LYS 119 - HD2 PRO 68 lone 3 92 - 4 - HB2 LYS 119 - HD3 PRO 68 lone 3 92 - 4 - HG3 GLU 73 - HD2 PRO 68 lone 0 60 - 1 - HG3 GLU 73 - HD3 PRO 68 lone 0 60 - 1 - Peak 3715 from cnoeabs.peaks (3.91, 3.91, 51.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 HD3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 Peak 3716 from cnoeabs.peaks (3.92, 3.91, 51.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 HD2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 Reference assignment not found: HD3 PRO 68 - HD2 PRO 68 Peak 3717 from cnoeabs.peaks (4.18, 3.92, 51.16 ppm; 4.12 A): 4 out of 20 assignments used, quality = 1.00: * HA PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.6=100 HA PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.6=100 HA VAL 66 + HD3 PRO 68 OK 46 63 - 74 - 5683/4.8=15, 3.2/7186=9...(25) HA VAL 66 + HD2 PRO 68 OK 46 63 - 74 - 5683/4.8=15, 3.2/7186=9...(25) HA GLU 56 - HD3 PRO 68 OK 40 87 - 46 - 7023=5, 3731/3.0=5...(19) HA GLU 56 - HD2 PRO 68 OK 40 87 - 46 - 7023=5, 3731/3.0=5...(20) HA ARG 92 - HD2 PRO 68 OK 28 100 - 28 - 4416/2.3=5, 3738/3.0=4...(12) HA ARG 92 - HD3 PRO 68 OK 28 100 - 28 - 4416/2.3=5, 3738/3.0=4...(12) HA GLU 28 - HD3 PRO 68 OK 20 60 - 33 - 3738/3.0=3, 2307/2.3=3...(20) HA GLU 28 - HD2 PRO 68 OK 20 60 - 33 - 3738/3.0=3, 2307/2.3=3...(20) HA ILE 22 - HD3 PRO 68 poor 7 60 - 11 - HA ILE 22 - HD2 PRO 68 poor 7 60 - 11 - HA LEU 126 - HD3 PRO 68 lone 4 78 - 6 - ~8128=1 HA LEU 126 - HD2 PRO 68 lone 4 78 - 6 - ~8128=1 HA3 GLY 61 - HD2 PRO 68 lone 4 99 - 4 - 3.6/1064=2 HA3 GLY 61 - HD3 PRO 68 lone 4 99 - 4 - 3.6/1064=2 HA SER 78 - HD2 PRO 68 lone 3 85 - 4 - HA SER 78 - HD3 PRO 68 lone 3 85 - 3 - HA SER 13 - HD2 PRO 68 lone 1 60 - 2 - HA SER 13 - HD3 PRO 68 lone 1 60 - 2 - Peak 3718 from cnoeabs.peaks (2.23, 3.92, 51.16 ppm; 3.78 A): 2 out of 24 assignments used, quality = 1.00: * HB2 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.0=100 HB2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.0=100 HG3 GLU 28 - HD3 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HG3 GLU 28 - HD2 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HG2 GLU 28 - HD3 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HG2 GLU 28 - HD2 PRO 68 OK 36 100 - 37 - 3739/3.0=4, 3753/2.3=4...(21) HB2 PRO 70 - HD2 PRO 68 OK 32 97 - 33 - 3739/3.0=4, 3725/3.6=4...(17) HB2 PRO 70 - HD3 PRO 68 OK 32 97 - 33 - 3739/3.0=4, 3725/3.6=4...(17) HG2 GLU 56 - HD2 PRO 68 OK 29 95 - 31 - 4.0/7023=3, 1.8/8732=3...(15) HG2 GLU 56 - HD3 PRO 68 OK 29 96 - 31 - 4.0/7023=3, ~8732=3...(15) HG2 GLU 94 - HD2 PRO 68 OK 20 100 - 20 - 3739/3.0=2, 3753/2.3=2...(6) HG2 GLU 94 - HD3 PRO 68 OK 20 100 - 20 - 3739/3.0=2, 3753/2.3=2...(6) HB3 LEU 117 - HD2 PRO 68 OK 16 100 - 16 - ~7226=2, 3739/3.0=2...(8) HB3 LEU 117 - HD3 PRO 68 OK 16 100 - 16 - ~7226=2, 3739/3.0=2...(8) HG2 GLU 38 - HD2 PRO 68 lone 6 99 - 6 - HG3 GLU 38 - HD2 PRO 68 lone 6 99 - 6 - HG2 GLU 38 - HD3 PRO 68 lone 6 99 - 6 - HG3 GLU 38 - HD3 PRO 68 lone 6 99 - 6 - HB3 PRO 37 - HD2 PRO 68 lone 4 85 - 5 - HB3 PRO 37 - HD3 PRO 68 lone 4 85 - 5 - HG3 GLU 64 - HD2 PRO 68 lone 3 100 - 3 - HG3 GLU 64 - HD3 PRO 68 lone 3 100 - 3 - HG3 GLU 15 - HD2 PRO 68 lone 3 88 - 3 - HG3 GLU 15 - HD3 PRO 68 lone 3 89 - 3 - Peak 3719 from cnoeabs.peaks (1.98, 3.92, 51.16 ppm; 3.13 A): 4 out of 28 assignments used, quality = 1.00: * HB3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.0=100 HB3 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.0=100 HG2 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 2.3=100 HG2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 2.3=100 HB2 LEU 55 - HD2 PRO 68 OK 27 87 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HB2 LEU 55 - HD3 PRO 68 OK 27 87 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HG LEU 114 - HD3 PRO 68 OK 25 100 - 25 - ~7958=2, 3751=2, ~7227=2...(15) HG LEU 114 - HD2 PRO 68 OK 25 100 - 25 - ~7958=2, ~7227=2, 3751=2...(15) HB2 LYS 46 - HD3 PRO 68 OK 23 92 - 26 - 1.8/6865=3, 6864=2...(10) HB2 LYS 46 - HD2 PRO 68 OK 23 92 - 26 - 1.8/6865=3, 6864/1.8=2...(10) HG2 PRO 60 - HD3 PRO 68 OK 23 97 - 24 - 3751=3, 3749/2.3=2...(14) HG2 PRO 60 - HD2 PRO 68 OK 23 97 - 24 - 3751=3, 3749/2.3=2...(14) HB2 GLU 94 - HD3 PRO 68 OK 16 92 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB2 GLU 94 - HD2 PRO 68 OK 16 92 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB3 GLU 94 - HD3 PRO 68 poor 10 60 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB3 GLU 94 - HD2 PRO 68 poor 10 60 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB ILE 124 - HD3 PRO 68 lone 8 100 - 8 - HB ILE 124 - HD2 PRO 68 lone 8 100 - 8 - HB2 LEU 41 - HD2 PRO 68 lone 7 100 - 7 - HB2 LEU 41 - HD3 PRO 68 lone 7 100 - 7 - HG LEU 45 - HD3 PRO 68 lone 3 97 - 3 - HG LEU 45 - HD2 PRO 68 lone 3 96 - 3 - HB2 MET 11 - HD3 PRO 68 lone 2 100 - 2 - HB2 MET 11 - HD2 PRO 68 lone 2 100 - 2 - HB3 GLN 103 - HD3 PRO 68 lone 2 100 - 2 - HB3 GLN 103 - HD2 PRO 68 lone 2 100 - 2 - HB2 ARG 71 - HD2 PRO 68 lone 2 98 - 2 - HB2 ARG 71 - HD3 PRO 68 lone 2 98 - 2 - Peak 3720 from cnoeabs.peaks (1.98, 3.92, 51.16 ppm; 3.13 A): 4 out of 28 assignments used, quality = 1.00: * HG2 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 2.3=100 HG2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 2.3=100 HB3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 3.0=100 HB3 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 3.0=100 HB2 LEU 55 - HD2 PRO 68 OK 25 80 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HB2 LEU 55 - HD3 PRO 68 OK 25 81 - 32 - 3.1/7013=3, 3.0/3758=2...(18) HG LEU 114 - HD3 PRO 68 OK 25 100 - 25 - ~7958=2, 3751=2, ~7227=2...(15) HG LEU 114 - HD2 PRO 68 OK 25 100 - 25 - ~7958=2, 3751=2, ~7227=2...(15) HG2 PRO 60 - HD3 PRO 68 OK 22 95 - 24 - 3751=3, 3749/2.3=2...(14) HG2 PRO 60 - HD2 PRO 68 OK 22 94 - 24 - 3751=3, 3749/2.3=2...(14) HB2 LYS 46 - HD3 PRO 68 OK 22 87 - 25 - 1.8/6865=3, 6864=2...(10) HB2 LYS 46 - HD2 PRO 68 OK 22 87 - 25 - 1.8/6865=3, 6864/1.8=2...(10) HB2 GLU 94 - HD2 PRO 68 OK 14 87 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB2 GLU 94 - HD3 PRO 68 OK 14 87 - 17 - 4522/3.0=2, 4521/2.3=1, ~4526=1 HB3 GLU 94 - HD3 PRO 68 OK 12 68 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB3 GLU 94 - HD2 PRO 68 OK 12 68 - 17 - 4526/3.0=1, 4526/2.3=1...(4) HB ILE 124 - HD3 PRO 68 lone 8 100 - 8 - HB ILE 124 - HD2 PRO 68 lone 8 100 - 8 - HB2 LEU 41 - HD2 PRO 68 lone 7 100 - 7 - HB2 LEU 41 - HD3 PRO 68 lone 7 100 - 7 - HG LEU 45 - HD3 PRO 68 lone 3 99 - 3 - HG LEU 45 - HD2 PRO 68 lone 3 99 - 3 - HB2 ARG 71 - HD2 PRO 68 lone 2 99 - 2 - HB2 MET 11 - HD3 PRO 68 lone 2 99 - 2 - HB2 MET 11 - HD2 PRO 68 lone 2 99 - 2 - HB2 ARG 71 - HD3 PRO 68 lone 2 99 - 2 - HB3 GLN 103 - HD3 PRO 68 lone 2 100 - 2 - HB3 GLN 103 - HD2 PRO 68 lone 2 100 - 2 - Peak 3721 from cnoeabs.peaks (1.87, 3.92, 51.16 ppm; 3.27 A): 2 out of 24 assignments used, quality = 1.00: * HG3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 - 2.3=100 HG3 PRO 68 + HD2 PRO 68 OK 100 100 - 100 - 2.3=100 HG LEU 55 - HD2 PRO 68 OK 39 93 - 42 - 3758=5, 3742/3.0=4...(20) HG LEU 55 - HD3 PRO 68 OK 39 93 - 42 - 3758=5, 3742/3.0=4...(19) HB3 GLU 28 - HD3 PRO 68 OK 31 100 - 31 - 3742/3.0=4, 3735/3.0=4...(11) HB3 GLU 28 - HD2 PRO 68 OK 31 100 - 31 - 3742/3.0=4, 3735/3.0=4...(11) HB2 ARG 92 - HD3 PRO 68 OK 21 99 - 21 - 4423/3.6=3, 3742/3.0=3...(7) HB2 ARG 92 - HD2 PRO 68 OK 21 99 - 21 - 4423/3.6=3, 3742/3.0=3...(7) HB3 LYS 109 - HD3 PRO 68 OK 14 100 - 14 - 8452/3.8=3, 3735/3.0=1...(4) HB3 LYS 109 - HD2 PRO 68 OK 14 100 - 14 - 8452/3.8=3, 3735/3.0=1...(4) HG LEU 84 - HD2 PRO 68 OK 10 87 - 12 - ~7232=2, 2.1/7487=2, ~7487=1 HG LEU 84 - HD3 PRO 68 OK 10 87 - 12 - ~7232=2, 2.1/7487=2, ~7487=1 HG12 ILE 22 - HD3 PRO 68 lone 7 81 - 8 - HG12 ILE 22 - HD2 PRO 68 lone 7 80 - 8 - HB2 LEU 58 - HD2 PRO 68 lone 5 100 - 5 - HB2 LEU 58 - HD3 PRO 68 lone 5 100 - 5 - HB VAL 50 - HD3 PRO 68 lone 4 92 - 5 - HB VAL 50 - HD2 PRO 68 lone 4 92 - 5 - HB3 LYS 31 - HD2 PRO 68 lone 4 92 - 4 - HB3 LYS 31 - HD3 PRO 68 lone 4 92 - 4 - HB2 LYS 119 - HD2 PRO 68 lone 3 92 - 4 - HB2 LYS 119 - HD3 PRO 68 lone 3 92 - 4 - HG3 GLU 73 - HD3 PRO 68 lone 0 60 - 1 - HG3 GLU 73 - HD2 PRO 68 lone 0 60 - 1 - Peak 3722 from cnoeabs.peaks (3.91, 3.92, 51.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 HD2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 Reference assignment not found: HD2 PRO 68 - HD3 PRO 68 Peak 3723 from cnoeabs.peaks (3.92, 3.92, 51.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 68 + HD3 PRO 68 OK 100 100 - 100 HD2 PRO 68 + HD2 PRO 68 OK 100 100 - 100 Peak 3724 from cnoeabs.peaks (4.18, 4.18, 63.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 68 + HA PRO 68 OK 100 100 - 100 Peak 3725 from cnoeabs.peaks (2.23, 4.18, 63.94 ppm; 3.17 A): 1 out of 12 assignments used, quality = 1.00: * HB2 PRO 68 + HA PRO 68 OK 100 100 - 100 - 2.3=100 HB2 PRO 70 - HA PRO 68 OK 30 97 - 31 - 3.0/7225=8, 3.0/7224=6...(9) HG3 GLU 28 - HA PRO 68 OK 25 100 - 26 - 3739/2.3=4, 3.0/3728=3...(16) HG2 GLU 28 - HA PRO 68 OK 25 100 - 26 - 3739/2.3=4, 3.0/3728=3...(16) HG2 GLU 56 - HA PRO 68 OK 17 96 - 18 - 3739/2.3=2, 1.8/3286=2...(7) HG2 GLU 94 - HA PRO 68 OK 14 100 - 14 - 3739/2.3=2, 3.0/3726=1, ~4538=1 HB3 LEU 117 - HA PRO 68 OK 13 100 - 13 - 3739/2.3=2, ~7226=1, ~5140=1 HG2 GLU 38 - HA PRO 68 lone 4 99 - 4 - HG3 GLU 38 - HA PRO 68 lone 4 99 - 4 - HG3 GLU 15 - HA PRO 68 lone 3 89 - 3 - HG3 GLU 64 - HA PRO 68 lone 3 100 - 3 - HB3 PRO 37 - HA PRO 68 lone 3 85 - 3 - Peak 3726 from cnoeabs.peaks (1.98, 4.18, 63.94 ppm; 3.23 A): 2 out of 14 assignments used, quality = 1.00: * HB3 PRO 68 + HA PRO 68 OK 100 100 - 100 - 2.3=100 HG2 PRO 68 + HA PRO 68 OK 69 100 - 69 - 3.8=59, 5692/3.6=8...(4) HG LEU 114 - HA PRO 68 OK 24 100 - 25 - 2.1/7223=5, ~7958=3...(11) HB2 LEU 55 - HA PRO 68 OK 20 87 - 23 - 3.0/3728=3, 3733/2.3=2...(10) HG2 PRO 60 - HA PRO 68 OK 18 97 - 18 - 3733/2.3=2, ~3441=2...(10) HB2 GLU 94 - HA PRO 68 OK 15 92 - 16 - 4522/2.3=2, 3.0/3725=1...(5) HB2 LYS 46 - HA PRO 68 lone 9 92 - 10 - 6864/3.6=2, 6864/3.6=2 HB3 GLU 94 - HA PRO 68 poor 9 60 - 15 - 4526/2.3=2, 4528/2.3=2...(4) HB2 LEU 41 - HA PRO 68 lone 7 100 - 7 - HB ILE 124 - HA PRO 68 lone 7 100 - 7 - HG LEU 45 - HA PRO 68 lone 3 97 - 3 - HB2 MET 11 - HA PRO 68 lone 2 100 - 2 - HB2 ARG 71 - HA PRO 68 lone 2 98 - 2 - HB3 GLN 103 - HA PRO 68 lone 2 100 - 2 - Peak 3727 from cnoeabs.peaks (1.98, 4.18, 63.94 ppm; 3.23 A): 2 out of 14 assignments used, quality = 1.00: HB3 PRO 68 + HA PRO 68 OK 100 100 - 100 - 2.3=100 * HG2 PRO 68 + HA PRO 68 OK 69 100 - 69 - 3.8=59, 5692/3.6=8...(4) HG LEU 114 - HA PRO 68 OK 24 100 - 25 - 2.1/7223=5, ~7958=3...(11) HB2 LEU 55 - HA PRO 68 OK 18 81 - 23 - 3.0/3728=3, 3733/2.3=2...(10) HG2 PRO 60 - HA PRO 68 OK 17 95 - 18 - 3733/2.3=2, ~3441=2...(10) HB2 GLU 94 - HA PRO 68 OK 13 87 - 16 - 4522/2.3=2, 3.0/3725=1...(5) HB3 GLU 94 - HA PRO 68 OK 10 68 - 15 - 4526/2.3=2, 4528/2.3=2...(4) HB2 LYS 46 - HA PRO 68 lone 8 87 - 10 - 6864/3.6=2, 6864/3.6=2 HB2 LEU 41 - HA PRO 68 lone 7 100 - 7 - HB ILE 124 - HA PRO 68 lone 7 100 - 7 - HG LEU 45 - HA PRO 68 lone 3 99 - 3 - HB2 MET 11 - HA PRO 68 lone 2 99 - 2 - HB2 ARG 71 - HA PRO 68 lone 2 99 - 2 - HB3 GLN 103 - HA PRO 68 lone 2 100 - 2 - Peak 3728 from cnoeabs.peaks (1.87, 4.18, 63.94 ppm; 3.92 A): 1 out of 12 assignments used, quality = 1.00: * HG3 PRO 68 + HA PRO 68 OK 100 100 - 100 - 3.8=100 HB3 GLU 28 - HA PRO 68 OK 42 100 - 42 - 3735/2.3=6, 3742/2.3=6...(18) HG LEU 55 - HA PRO 68 OK 39 93 - 42 - 3742/2.3=7, 3735/2.3=6...(17) HB2 ARG 92 - HA PRO 68 OK 34 99 - 34 - 4423=8, 3735/2.3=4...(16) HB3 LYS 109 - HA PRO 68 OK 12 100 - 12 - 8452/4.8=4, 3735/2.3=2...(4) HG12 ILE 22 - HA PRO 68 poor 9 81 - 10 - 3735/2.3=1, 324/3.6=1 HB2 LEU 58 - HA PRO 68 lone 7 100 - 7 - 324/3.6=1 HG LEU 84 - HA PRO 68 lone 6 87 - 7 - 3735/2.3=1, 3742/2.3=1 HB VAL 50 - HA PRO 68 lone 6 92 - 6 - 324/3.6=2 HB3 LYS 31 - HA PRO 68 lone 4 92 - 4 - HB2 LYS 119 - HA PRO 68 lone 4 92 - 4 - HG3 GLU 73 - HA PRO 68 lone 1 60 - 2 - Peak 3729 from cnoeabs.peaks (3.91, 4.18, 63.94 ppm; 4.18 A): 2 out of 15 assignments used, quality = 1.00: * HD2 PRO 68 + HA PRO 68 OK 100 100 - 100 - 3.6=100 HD3 PRO 68 + HA PRO 68 OK 100 100 - 100 - 3.6=100 HA ILE 34 - HA PRO 68 OK 13 98 - 13 - 6627/3.6=7, 3736/2.3=2 HB THR 62 - HA PRO 68 OK 10 100 - 10 - 7106/3.8=2, 3737/2.3=2 HA ALA 43 - HA PRO 68 lone 9 99 - 9 - 6805/2.3=2, 6805/3.8=1...(4) HA ARG 53 - HA PRO 68 poor 7 71 - 10 - 8750/2.3=1 HA3 GLY 2 - HA PRO 68 lone 6 98 - 6 - HA2 GLY 2 - HA PRO 68 lone 6 98 - 6 - HB3 ASN 79 - HA PRO 68 lone 5 60 - 8 - 325/3.6=2 HB2 SER 112 - HA PRO 68 lone 4 83 - 5 - HB3 SER 112 - HA PRO 68 lone 4 78 - 5 - HB THR 95 - HA PRO 68 lone 4 76 - 5 - HA ARG 85 - HA PRO 68 lone 4 85 - 4 - HA THR 23 - HA PRO 68 lone 3 78 - 4 - HA2 GLY 25 - HA PRO 68 lone 1 78 - 1 - Peak 3730 from cnoeabs.peaks (3.92, 4.18, 63.94 ppm; 4.18 A): 2 out of 14 assignments used, quality = 1.00: * HD3 PRO 68 + HA PRO 68 OK 100 100 - 100 - 3.6=100 HD2 PRO 68 + HA PRO 68 OK 100 100 - 100 - 3.6=100 HA ILE 34 - HA PRO 68 OK 13 97 - 13 - 6627/3.6=7, 3737/2.3=2 HB THR 62 - HA PRO 68 OK 10 100 - 10 - 7106/3.8=2, 3737/2.3=2 HA ALA 43 - HA PRO 68 lone 9 99 - 9 - 6805/2.3=2, 6805/3.8=1...(4) HA ARG 53 - HA PRO 68 lone 6 65 - 10 - HA3 GLY 2 - HA PRO 68 lone 6 97 - 6 - HA2 GLY 2 - HA PRO 68 lone 6 97 - 6 - HB2 SER 112 - HA PRO 68 lone 4 78 - 5 - HB3 SER 112 - HA PRO 68 lone 4 73 - 5 - HA ARG 85 - HA PRO 68 lone 4 89 - 4 - HB THR 95 - HA PRO 68 lone 4 71 - 5 - HA THR 23 - HA PRO 68 lone 3 83 - 4 - HA2 GLY 25 - HA PRO 68 lone 1 83 - 1 - Peak 3731 from cnoeabs.peaks (4.18, 2.23, 32.13 ppm; 3.10 A): 1 out of 10 assignments used, quality = 1.00: * HA PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 2.3=100 HA VAL 66 - HB2 PRO 68 OK 27 63 - 43 - 3.2/7227=6, ~7229=5...(19) HA GLU 56 - HB2 PRO 68 OK 26 87 - 31 - 3738/1.8=4, 3265=3...(14) HA ARG 92 - HB2 PRO 68 OK 22 100 - 22 - 3738/1.8=4, 4416/2.3=3...(8) HA GLU 28 - HB2 PRO 68 OK 15 60 - 25 - 3.0/3735=4, 3738/1.8=3...(10) HA LEU 126 - HB2 PRO 68 lone 4 78 - 5 - HA ILE 22 - HB2 PRO 68 lone 4 60 - 6 - HA3 GLY 61 - HB2 PRO 68 lone 2 99 - 2 - HA SER 78 - HB2 PRO 68 lone 2 85 - 2 - HA SER 13 - HB2 PRO 68 lone 1 60 - 1 - Peak 3732 from cnoeabs.peaks (2.23, 2.23, 32.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 68 + HB2 PRO 68 OK 100 100 - 100 Peak 3733 from cnoeabs.peaks (1.98, 2.23, 32.13 ppm; 2.50 A): 2 out of 14 assignments used, quality = 1.00: * HB3 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 1.8=100 HG2 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 2.3=100 HG LEU 114 - HB2 PRO 68 OK 20 100 - 20 - 2.1/7958=3, 2.1/7227=2...(8) HB2 LEU 55 - HB2 PRO 68 OK 18 87 - 21 - 3.0/3735=2, 3726/2.3=1...(7) HG2 PRO 60 - HB2 PRO 68 OK 16 97 - 17 - 3749/2.3=1, ~3476=1...(9) HB2 GLU 94 - HB2 PRO 68 OK 14 92 - 16 - 1.8/4528=2, 4522=2...(4) HB3 GLU 94 - HB2 PRO 68 poor 9 60 - 15 - 1.8/4522=2, 4528=1, 4526/1.8=1 HB2 LYS 46 - HB2 PRO 68 lone 8 92 - 9 - 6864/3.0=1, 6864/3.0=1 HB2 LEU 41 - HB2 PRO 68 lone 6 100 - 6 - 3.1/7226=1 HB ILE 124 - HB2 PRO 68 lone 5 100 - 5 - HB2 ARG 71 - HB2 PRO 68 lone 2 98 - 2 - HG LEU 45 - HB2 PRO 68 lone 2 97 - 2 - HB2 MET 11 - HB2 PRO 68 lone 2 100 - 1 - HB3 GLN 103 - HB2 PRO 68 lone 1 100 - 1 - Peak 3734 from cnoeabs.peaks (1.98, 2.23, 32.13 ppm; 2.50 A): 2 out of 14 assignments used, quality = 1.00: * HG2 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 2.3=100 HB3 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 1.8=100 HG LEU 114 - HB2 PRO 68 OK 20 100 - 20 - 2.1/7958=3, 2.1/7227=2...(8) HB2 LEU 55 - HB2 PRO 68 OK 17 81 - 21 - 3.0/3735=2, 3726/2.3=1...(7) HG2 PRO 60 - HB2 PRO 68 OK 16 95 - 17 - 3749/2.3=1, ~3476=1...(9) HB2 GLU 94 - HB2 PRO 68 OK 13 87 - 15 - 1.8/4528=2, 4522=2, ~4526=1 HB3 GLU 94 - HB2 PRO 68 OK 10 68 - 15 - 1.8/4522=2, 4528=2, 4526/1.8=1 HB2 LYS 46 - HB2 PRO 68 lone 8 87 - 9 - 6864/3.0=1, 6864/3.0=1 HB2 LEU 41 - HB2 PRO 68 lone 6 100 - 5 - 3.1/7226=1 HB ILE 124 - HB2 PRO 68 lone 5 100 - 5 - HB2 ARG 71 - HB2 PRO 68 lone 2 99 - 2 - HG LEU 45 - HB2 PRO 68 lone 2 99 - 2 - HB2 MET 11 - HB2 PRO 68 lone 1 99 - 1 - HB3 GLN 103 - HB2 PRO 68 lone 1 100 - 1 - Peak 3735 from cnoeabs.peaks (1.87, 2.23, 32.13 ppm; 3.25 A): 1 out of 12 assignments used, quality = 1.00: * HG3 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 2.3=100 HG LEU 55 - HB2 PRO 68 OK 40 93 - 43 - 3742/1.8=6, 3753=5...(21) HB3 GLU 28 - HB2 PRO 68 OK 40 100 - 40 - 2321=6, 3742/1.8=6...(16) HB2 ARG 92 - HB2 PRO 68 OK 25 99 - 26 - 4423/2.3=4, 3742/1.8=4...(12) HB3 LYS 109 - HB2 PRO 68 OK 11 100 - 11 - 3742/1.8=1, 3728/2.3=1...(5) HG LEU 84 - HB2 PRO 68 lone 8 87 - 10 - ~7232=2, 3742/1.8=1 HG12 ILE 22 - HB2 PRO 68 poor 8 81 - 10 - 3742/1.8=1 HB2 LEU 58 - HB2 PRO 68 lone 6 100 - 6 - HB VAL 50 - HB2 PRO 68 lone 5 92 - 6 - 324/3.9=1 HB3 LYS 31 - HB2 PRO 68 lone 4 92 - 5 - HB2 LYS 119 - HB2 PRO 68 lone 3 92 - 4 - HG3 GLU 73 - HB2 PRO 68 lone 1 60 - 1 - Peak 3736 from cnoeabs.peaks (3.91, 2.23, 32.13 ppm; 3.61 A): 2 out of 15 assignments used, quality = 1.00: * HD2 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 3.0=100 HD3 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 3.0=100 HB THR 62 - HB2 PRO 68 OK 12 100 - 12 - 7106/2.3=2, 3744/1.8=2...(5) HA ILE 34 - HB2 PRO 68 OK 12 98 - 12 - 6627/3.9=5, 3743/1.8=2 HA ALA 43 - HB2 PRO 68 lone 9 99 - 9 - 6805/1.8=2, 6805/2.3=1, ~6808=1 HA3 GLY 2 - HB2 PRO 68 lone 7 98 - 7 - HA2 GLY 2 - HB2 PRO 68 lone 7 98 - 7 - HA ARG 53 - HB2 PRO 68 lone 7 71 - 9 - HB2 SER 112 - HB2 PRO 68 lone 5 83 - 6 - HB3 ASN 79 - HB2 PRO 68 lone 5 60 - 8 - 325/3.9=1 HB3 SER 112 - HB2 PRO 68 lone 5 78 - 6 - HB THR 95 - HB2 PRO 68 lone 4 76 - 6 - 4.1/469=1 HA ARG 85 - HB2 PRO 68 lone 4 85 - 4 - HA THR 23 - HB2 PRO 68 lone 3 78 - 4 - HA2 GLY 25 - HB2 PRO 68 lone 1 78 - 1 - Peak 3737 from cnoeabs.peaks (3.92, 2.23, 32.13 ppm; 3.61 A): 2 out of 14 assignments used, quality = 1.00: * HD3 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 3.0=100 HD2 PRO 68 + HB2 PRO 68 OK 100 100 - 100 - 3.0=100 HB THR 62 - HB2 PRO 68 OK 12 100 - 12 - 7106/2.3=2, 3744/1.8=2...(5) HA ILE 34 - HB2 PRO 68 OK 11 97 - 12 - 6627/3.9=5, 3743/1.8=2 HA ALA 43 - HB2 PRO 68 lone 9 99 - 10 - 6805/1.8=2, 6805/2.3=1, ~6808=1 HA3 GLY 2 - HB2 PRO 68 lone 6 97 - 7 - HA2 GLY 2 - HB2 PRO 68 lone 6 97 - 7 - HA ARG 53 - HB2 PRO 68 lone 6 65 - 9 - HB2 SER 112 - HB2 PRO 68 lone 5 78 - 6 - HB3 SER 112 - HB2 PRO 68 lone 4 73 - 6 - HB THR 95 - HB2 PRO 68 lone 4 71 - 6 - 4.1/469=1 HA ARG 85 - HB2 PRO 68 lone 4 89 - 4 - HA THR 23 - HB2 PRO 68 lone 3 83 - 4 - HA2 GLY 25 - HB2 PRO 68 lone 1 83 - 1 - Peak 3738 from cnoeabs.peaks (4.18, 1.98, 32.13 ppm; 3.25 A): 1 out of 10 assignments used, quality = 1.00: * HA PRO 68 + HB3 PRO 68 OK 100 100 - 100 - 2.3=100 HA VAL 66 - HB3 PRO 68 OK 30 63 - 48 - 3.2/7229=7, 3731/1.8=5...(20) HA GLU 56 - HB3 PRO 68 OK 27 87 - 31 - 3731/1.8=5, 2.9/252=3...(16) HA ARG 92 - HB3 PRO 68 OK 24 100 - 24 - 3731/1.8=4, 4416/2.3=3...(11) HA GLU 28 - HB3 PRO 68 OK 18 60 - 30 - 3.0/3742=4, 3731/1.8=3...(14) HA LEU 126 - HB3 PRO 68 lone 5 78 - 6 - 2.9/8128=1 HA ILE 22 - HB3 PRO 68 lone 4 60 - 7 - HA3 GLY 61 - HB3 PRO 68 lone 2 99 - 2 - HA SER 78 - HB3 PRO 68 lone 2 85 - 2 - HA SER 13 - HB3 PRO 68 lone 1 60 - 1 - Peak 3739 from cnoeabs.peaks (2.23, 1.98, 32.13 ppm; 2.58 A): 1 out of 12 assignments used, quality = 1.00: * HB2 PRO 68 + HB3 PRO 68 OK 100 100 - 100 - 1.8=100 HG3 GLU 28 - HB3 PRO 68 OK 25 100 - 26 - 3.0/3742=3, 3725/2.3=2...(8) HG2 GLU 28 - HB3 PRO 68 OK 25 100 - 26 - 3.0/3742=3, 3725/2.3=2...(8) HB2 PRO 70 - HB3 PRO 68 OK 24 97 - 24 - ~7225=3, 3725/2.3=2...(9) HG2 GLU 56 - HB3 PRO 68 OK 14 96 - 15 - ~3289=1, 3725/2.3=1, 4.0/3738=1 HG2 GLU 94 - HB3 PRO 68 OK 14 100 - 14 - 1.8/4538=1, 3.0/4526=1...(4) HB3 LEU 117 - HB3 PRO 68 lone 10 100 - 10 - 3725/2.3=1, 3.1/7228=1 HG2 GLU 38 - HB3 PRO 68 lone 3 99 - 3 - HG3 GLU 38 - HB3 PRO 68 lone 3 99 - 3 - HB3 PRO 37 - HB3 PRO 68 lone 2 85 - 3 - HG3 GLU 64 - HB3 PRO 68 lone 2 100 - 2 - HG3 GLU 15 - HB3 PRO 68 lone 2 89 - 2 - Peak 3740 from cnoeabs.peaks (1.98, 1.98, 32.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 68 + HB3 PRO 68 OK 100 100 - 100 Peak 3741 from cnoeabs.peaks (1.98, 1.98, 32.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 PRO 68 + HB3 PRO 68 OK 100 100 - 100 Reference assignment not found: HG2 PRO 68 - HB3 PRO 68 Peak 3742 from cnoeabs.peaks (1.87, 1.98, 32.13 ppm; 2.79 A): 1 out of 12 assignments used, quality = 1.00: * HG3 PRO 68 + HB3 PRO 68 OK 100 100 - 100 - 2.3=100 HG LEU 55 - HB3 PRO 68 OK 32 93 - 35 - 3735/1.8=4, 3749/2.3=3...(16) HB3 GLU 28 - HB3 PRO 68 OK 30 100 - 30 - 3735/1.8=4, 3.0/3739=3...(13) HB2 ARG 92 - HB3 PRO 68 OK 19 99 - 19 - 4423/2.3=3, 3735/1.8=3...(6) HB3 LYS 109 - HB3 PRO 68 lone 7 100 - 7 - 3735/1.8=1 HG LEU 84 - HB3 PRO 68 lone 6 87 - 7 - ~7232=2 HG12 ILE 22 - HB3 PRO 68 lone 6 81 - 7 - HB2 LEU 58 - HB3 PRO 68 lone 4 100 - 4 - HB VAL 50 - HB3 PRO 68 lone 4 92 - 4 - HB3 LYS 31 - HB3 PRO 68 lone 4 92 - 4 - HB2 LYS 119 - HB3 PRO 68 lone 2 92 - 2 - HG3 GLU 73 - HB3 PRO 68 lone 0 60 - 1 - Peak 3743 from cnoeabs.peaks (3.91, 1.98, 32.13 ppm; 3.54 A): 2 out of 15 assignments used, quality = 1.00: * HD2 PRO 68 + HB3 PRO 68 OK 100 100 - 100 - 3.0=100 HD3 PRO 68 + HB3 PRO 68 OK 100 100 - 100 - 3.0=100 HA ALA 43 - HB3 PRO 68 OK 13 99 - 13 - 6805=2, 2.1/6808=1...(4) HB THR 62 - HB3 PRO 68 OK 12 100 - 12 - 7106/2.3=2, 3737/1.8=2...(5) HA ILE 34 - HB3 PRO 68 OK 12 98 - 12 - 6627/3.9=4, 3736/1.8=1 HA3 GLY 2 - HB3 PRO 68 lone 6 98 - 6 - HA2 GLY 2 - HB3 PRO 68 lone 6 98 - 6 - HA ARG 53 - HB3 PRO 68 lone 5 71 - 8 - HB2 SER 112 - HB3 PRO 68 lone 5 83 - 6 - HB3 SER 112 - HB3 PRO 68 lone 5 78 - 6 - HB3 ASN 79 - HB3 PRO 68 lone 4 60 - 7 - 325/3.9=1 HB THR 95 - HB3 PRO 68 lone 4 76 - 6 - 4.1/467=2 HA ARG 85 - HB3 PRO 68 lone 4 85 - 5 - HA THR 23 - HB3 PRO 68 lone 3 78 - 4 - HA2 GLY 25 - HB3 PRO 68 lone 1 78 - 1 - Peak 3744 from cnoeabs.peaks (3.92, 1.98, 32.13 ppm; 3.54 A): 2 out of 14 assignments used, quality = 1.00: * HD3 PRO 68 + HB3 PRO 68 OK 100 100 - 100 - 3.0=100 HD2 PRO 68 + HB3 PRO 68 OK 100 100 - 100 - 3.0=100 HA ALA 43 - HB3 PRO 68 OK 13 99 - 13 - 6805=2, 6805/2.3=1...(4) HB THR 62 - HB3 PRO 68 OK 12 100 - 12 - 7106/2.3=2, 3737/1.8=2...(5) HA ILE 34 - HB3 PRO 68 OK 11 97 - 12 - 6627/3.9=4, 3737/1.8=1 HA3 GLY 2 - HB3 PRO 68 lone 6 97 - 6 - HA2 GLY 2 - HB3 PRO 68 lone 6 97 - 6 - HA ARG 53 - HB3 PRO 68 lone 5 65 - 8 - HB2 SER 112 - HB3 PRO 68 lone 5 78 - 6 - HA ARG 85 - HB3 PRO 68 lone 4 89 - 5 - HB3 SER 112 - HB3 PRO 68 lone 4 73 - 6 - HB THR 95 - HB3 PRO 68 lone 4 71 - 6 - 4.1/467=2 HA THR 23 - HB3 PRO 68 lone 4 83 - 4 - HA2 GLY 25 - HB3 PRO 68 lone 1 83 - 1 - Peak 3745 from cnoeabs.peaks (4.18, 1.98, 27.06 ppm; 4.00 A): 2 out of 30 assignments used, quality = 1.00: * HA PRO 68 + HG2 PRO 68 OK 100 100 - 100 - 3.8=100 HA GLU 56 + HG2 PRO 60 OK 51 76 - 67 - 7024/3.8=13, 3266/2.3=9...(28) HA VAL 66 - HG2 PRO 68 OK 38 63 - 61 - ~7229=7, 3.2/7234=7...(17) HA GLU 56 - HG2 PRO 68 OK 37 87 - 42 - 3731/2.3=6, 3738/2.3=5...(18) HA ARG 92 - HG2 PRO 68 OK 29 100 - 29 - 4416/1.8=5, 3738/2.3=5...(11) HA PRO 68 - HG LEU 114 OK 26 71 - 37 - 7223/2.1=7, ~7958=5...(13) HA PRO 68 - HG2 PRO 60 OK 25 93 - 27 - 3726=3, ~3441=3, ~3434=3...(12) HA GLU 28 - HG2 PRO 68 OK 21 60 - 36 - 3738/2.3=4, 3.0/3749=3...(20) HA ARG 92 - HG LEU 114 OK 19 71 - 27 - ~5084=3, 5388/2.1=3...(12) HA3 GLY 61 - HG2 PRO 60 OK 12 91 - 14 - ~280=9, ~282=4 HA VAL 66 - HG LEU 114 poor 8 37 - 22 - ~5084=3, 3.2/7180=2...(11) HA ILE 22 - HG2 PRO 68 lone 6 60 - 9 - HA LEU 126 - HG2 PRO 68 lone 5 78 - 7 - 2.9/8128=1, ~8128=1, 3738/2.3=1 HA SER 78 - HG LEU 114 lone 5 53 - 9 - 4034/4.3=1, 7449/3.0=1, ~5085=1 HA ARG 92 - HG2 PRO 60 lone 5 93 - 5 - HA GLU 56 - HG LEU 114 lone 3 55 - 6 - ~256=2, ~7030=1 HA3 GLY 61 - HG2 PRO 68 lone 3 99 - 3 - HA LEU 126 - HG LEU 114 lone 3 48 - 5 - 2.9/8128=2 HA SER 78 - HG2 PRO 68 lone 2 85 - 3 - HA ILE 22 - HG LEU 114 lone 2 35 - 6 - 2145/2.1=1, ~853=1 HA VAL 66 - HG2 PRO 60 lone 2 53 - 3 - HA SER 78 - HG2 PRO 60 lone 1 74 - 2 - HA LEU 126 - HG2 PRO 60 lone 1 68 - 2 - HA GLU 28 - HG2 PRO 60 lone 1 51 - 2 - HA SER 13 - HG2 PRO 68 lone 1 60 - 1 - HA GLU 28 - HG LEU 114 lone 1 35 - 2 - HA ILE 22 - HG2 PRO 60 lone 1 51 - 1 - HA SER 13 - HG2 PRO 60 lone 1 51 - 1 - HA3 GLY 61 - HG LEU 114 lone 1 68 - 1 - HA SER 13 - HG LEU 114 lone 1 35 - 2 - Peak 3746 from cnoeabs.peaks (2.23, 1.98, 27.06 ppm; 3.16 A): 3 out of 36 assignments used, quality = 1.00: * HB2 PRO 68 + HG2 PRO 68 OK 100 100 - 100 - 2.3=100 HB3 PRO 37 + HG2 PRO 60 OK 46 74 - 63 - 2.3/3476=5, ~6000=5...(38) HG2 GLU 56 + HG2 PRO 60 OK 45 86 - 53 - 3284/2.3=8, 3281/1.8=5...(27) HB2 PRO 70 - HG2 PRO 60 OK 44 88 - 50 - 3814/1.8=6, ~3821=4...(30) HG3 GLU 28 - HG2 PRO 68 OK 34 100 - 34 - 3739/2.3=4, 3753/1.8=3...(20) HG2 GLU 28 - HG2 PRO 68 OK 34 100 - 34 - 3739/2.3=4, 3753/1.8=3...(20) HB2 PRO 68 - HG2 PRO 60 OK 25 93 - 27 - 3733=3, 2.3/3749=2...(14) HB2 PRO 70 - HG2 PRO 68 OK 25 97 - 26 - 3739/2.3=4, 3725/3.8=2...(13) HB2 PRO 68 - HG LEU 114 OK 24 71 - 34 - 7958/2.1=5, 7227/2.1=4...(18) HB3 LEU 117 - HG LEU 114 OK 22 71 - 31 - 7958/2.1=6, 6240/4.3=5...(11) HG2 GLU 56 - HG2 PRO 68 OK 20 96 - 22 - 3739/2.3=2, ~3289=2...(14) HG2 GLU 94 - HG2 PRO 68 OK 20 100 - 20 - 3739/2.3=2, 1.8/4538=2...(7) HB3 LEU 117 - HG2 PRO 68 OK 13 100 - 13 - 3739/2.3=2, ~7226=1...(4) HB2 PRO 70 - HG LEU 114 OK 13 66 - 20 - 7958/2.1=2, 6239/4.3=2...(8) HG2 GLU 94 - HG LEU 114 poor 7 69 - 10 - 7958/2.1=1, 6239/4.3=1 HG2 GLU 38 - HG2 PRO 60 lone 7 91 - 7 - 4.0/6005=2 HG3 GLU 38 - HG2 PRO 60 lone 7 91 - 7 - 4.0/6005=2 HB3 LEU 117 - HG2 PRO 60 lone 6 93 - 6 - HG2 GLU 38 - HG2 PRO 68 lone 5 99 - 5 - HG3 GLU 38 - HG2 PRO 68 lone 5 99 - 5 - HG2 GLU 38 - HG LEU 114 lone 5 69 - 7 - HG3 GLU 38 - HG LEU 114 lone 5 68 - 7 - HB3 PRO 37 - HG2 PRO 68 lone 3 85 - 4 - HG3 GLU 64 - HG2 PRO 68 lone 3 100 - 3 - HG2 GLU 94 - HG2 PRO 60 lone 2 92 - 3 - HG3 GLU 64 - HG LEU 114 lone 2 70 - 3 - HG3 GLU 15 - HG2 PRO 68 lone 2 89 - 2 - HG3 GLU 15 - HG2 PRO 60 lone 2 78 - 2 - HG3 GLU 28 - HG LEU 114 lone 2 70 - 2 - HG3 GLU 15 - HG LEU 114 lone 2 56 - 3 - HG2 GLU 28 - HG LEU 114 lone 2 70 - 2 - HG3 GLU 28 - HG2 PRO 60 lone 1 93 - 2 - HG2 GLU 28 - HG2 PRO 60 lone 1 92 - 2 - HG2 GLU 56 - HG LEU 114 lone 1 63 - 2 - HG3 GLU 64 - HG2 PRO 60 lone 1 93 - 1 - HB3 PRO 37 - HG LEU 114 lone 1 53 - 2 - Peak 3747 from cnoeabs.peaks (1.98, 1.98, 27.06 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 PRO 68 + HG2 PRO 68 OK 100 100 - 100 HG2 PRO 60 + HG2 PRO 60 OK 88 88 - 100 HG LEU 114 + HG LEU 114 OK 70 70 - 100 Reference assignment not found: HB3 PRO 68 - HG2 PRO 68 Peak 3748 from cnoeabs.peaks (1.98, 1.98, 27.06 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 68 + HG2 PRO 68 OK 100 100 - 100 HG2 PRO 60 + HG2 PRO 60 OK 84 84 - 100 HG LEU 114 + HG LEU 114 OK 71 71 - 100 Peak 3749 from cnoeabs.peaks (1.87, 1.98, 27.06 ppm; 2.52 A): 1 out of 36 assignments used, quality = 1.00: * HG3 PRO 68 + HG2 PRO 68 OK 100 100 - 100 - 1.8=100 HG LEU 55 - HG2 PRO 68 OK 25 93 - 27 - 3742/2.3=3, 3755=3...(9) HB3 GLU 28 - HG2 PRO 68 OK 21 100 - 21 - 3742/2.3=3, 3735/2.3=3...(8) HG3 PRO 68 - HG2 PRO 60 OK 15 93 - 17 - 3754=2, ~3471=2, ~3472=1...(9) HB2 ARG 92 - HG2 PRO 68 OK 13 99 - 14 - 3742/2.3=2, 3735/2.3=2 HG3 PRO 68 - HG LEU 114 OK 13 71 - 18 - 3755=2, ~7958=2...(6) HG LEU 84 - HG LEU 114 poor 9 55 - 17 - 2.1/7232=3, ~7946=3...(4) HB3 LYS 109 - HG2 PRO 68 lone 7 100 - 7 - HG LEU 55 - HG LEU 114 poor 6 61 - 10 - 3755=1, 3246/2.1=1 HG LEU 84 - HG2 PRO 68 lone 5 87 - 6 - 2.1/7232=2 HG LEU 55 - HG2 PRO 60 lone 5 83 - 7 - HB2 ARG 92 - HG LEU 114 lone 4 69 - 6 - HG12 ILE 22 - HG2 PRO 68 lone 4 81 - 5 - HB2 LEU 58 - HG2 PRO 68 lone 3 100 - 3 - HB2 LEU 58 - HG LEU 114 lone 3 70 - 4 - HB3 LYS 31 - HG2 PRO 68 lone 3 92 - 3 - HB VAL 50 - HG2 PRO 68 lone 3 92 - 3 - HB2 ARG 92 - HG2 PRO 60 lone 2 91 - 2 - HB2 LYS 119 - HG2 PRO 68 lone 2 92 - 2 - HG12 ILE 22 - HG LEU 114 lone 1 50 - 3 - HB3 LYS 109 - HG2 PRO 60 lone 1 92 - 1 - HB3 LYS 31 - HG2 PRO 60 lone 1 81 - 1 - HB2 LYS 119 - HG LEU 114 lone 1 59 - 1 - HB3 LYS 109 - HG LEU 114 lone 1 70 - 1 - HB VAL 50 - HG LEU 114 lone 1 59 - 1 - HB3 GLU 28 - HG2 PRO 60 lone 1 93 - 1 - HB VAL 50 - HG2 PRO 60 lone 1 81 - 1 - HB3 GLU 28 - HG LEU 114 lone 1 71 - 1 - HB2 LEU 58 - HG2 PRO 60 lone 1 93 - 1 - HG LEU 84 - HG2 PRO 60 lone 0 76 - 1 - HB2 LYS 119 - HG2 PRO 60 lone 0 81 - 0 - HB3 LYS 31 - HG LEU 114 lone 0 59 - 1 - HG12 ILE 22 - HG2 PRO 60 lone 0 70 - 0 - HG3 GLU 73 - HG2 PRO 68 lone 0 60 - 0 - HG3 GLU 73 - HG LEU 114 lone 0 35 - 1 - HG3 GLU 73 - HG2 PRO 60 lone 0 51 - 0 - Peak 3750 from cnoeabs.peaks (3.91, 1.98, 27.06 ppm; 3.21 A): 2 out of 45 assignments used, quality = 1.00: * HD2 PRO 68 + HG2 PRO 68 OK 100 100 - 100 - 2.3=100 HD3 PRO 68 + HG2 PRO 68 OK 100 100 - 100 - 2.3=100 HD2 PRO 68 - HG2 PRO 60 OK 22 93 - 23 - ~3471=2, 2.3/3749=2...(14) HD3 PRO 68 - HG2 PRO 60 OK 22 93 - 23 - ~3471=2, 2.3/3749=2...(14) HD2 PRO 68 - HG LEU 114 OK 18 71 - 26 - ~7958=3, ~7227=2...(16) HD3 PRO 68 - HG LEU 114 OK 18 70 - 26 - ~7958=3, ~7227=2...(16) HA ALA 43 - HG2 PRO 68 OK 10 99 - 10 - 6805/2.3=1, 2.1/6808=1, 6805=1 HB THR 62 - HG2 PRO 68 lone 10 100 - 10 - 7106/1.8=2, ~8297=1...(6) HB THR 62 - HG LEU 114 poor 8 70 - 11 - ~7960=4, 7104/2.1=2, ~7117=2 HA ARG 53 - HG2 PRO 60 poor 8 61 - 13 - 6066/1.8=2, 6068/2.3=2 HA ILE 34 - HG2 PRO 68 lone 7 98 - 8 - 3743/2.3=1, 3736/2.3=1 HA ILE 34 - HG2 PRO 60 lone 6 89 - 7 - ~6686=2, ~6636=2...(4) HA ALA 43 - HG LEU 114 lone 6 67 - 9 - ~7959=1, 6803/3.0=1 HA2 GLY 2 - HG2 PRO 68 lone 5 98 - 5 - HA3 GLY 2 - HG2 PRO 68 lone 5 98 - 5 - HB THR 62 - HG2 PRO 60 lone 4 93 - 4 - HA ARG 85 - HG2 PRO 60 lone 4 74 - 6 - 4281/2.3=2 HA ARG 53 - HG2 PRO 68 lone 4 71 - 6 - HB THR 95 - HG2 PRO 68 lone 4 76 - 5 - 4.1/467=1 HB2 SER 112 - HG2 PRO 68 lone 4 83 - 4 - HB3 SER 112 - HG2 PRO 68 lone 3 78 - 4 - HA ARG 85 - HG2 PRO 68 lone 3 85 - 4 - HB3 ASN 79 - HG2 PRO 68 lone 3 60 - 6 - HA ARG 85 - HG LEU 114 lone 3 53 - 6 - 4278/3.0=1 HA THR 23 - HG2 PRO 68 lone 2 78 - 3 - HB2 SER 112 - HG LEU 114 lone 2 52 - 3 - 4.5/7929=2 HB3 SER 112 - HG LEU 114 lone 1 48 - 3 - 4.5/7929=2 HB THR 95 - HG LEU 114 lone 1 46 - 3 - HA ALA 43 - HG2 PRO 60 lone 1 90 - 1 - HA THR 23 - HG LEU 114 lone 1 48 - 3 - HB3 ASN 79 - HG LEU 114 lone 1 35 - 3 - 4.5/5895=1 HA2 GLY 25 - HG2 PRO 68 lone 1 78 - 1 - HB2 SER 112 - HG2 PRO 60 lone 1 72 - 1 - HB3 SER 112 - HG2 PRO 60 lone 1 68 - 1 - HA ILE 34 - HG LEU 114 lone 1 67 - 1 - HB3 ASN 79 - HG2 PRO 60 lone 1 51 - 1 - HA ARG 53 - HG LEU 114 lone 1 43 - 1 - HB THR 95 - HG2 PRO 60 lone 1 65 - 1 - HA THR 23 - HG2 PRO 60 lone 0 68 - 1 - HA3 GLY 2 - HG2 PRO 60 lone 0 89 - 0 - HA2 GLY 2 - HG2 PRO 60 lone 0 89 - 0 - HA2 GLY 25 - HG LEU 114 lone 0 48 - 1 - HA2 GLY 25 - HG2 PRO 60 lone 0 68 - 1 - HA2 GLY 2 - HG LEU 114 lone 0 67 - 1 - HA3 GLY 2 - HG LEU 114 lone 0 67 - 1 - Peak 3751 from cnoeabs.peaks (3.92, 1.98, 27.06 ppm; 3.21 A): 2 out of 42 assignments used, quality = 1.00: * HD3 PRO 68 + HG2 PRO 68 OK 100 100 - 100 - 2.3=100 HD2 PRO 68 + HG2 PRO 68 OK 100 100 - 100 - 2.3=100 HD3 PRO 68 - HG2 PRO 60 OK 22 93 - 23 - ~3471=2, 2.3/3749=2...(14) HD2 PRO 68 - HG2 PRO 60 OK 22 93 - 23 - ~3471=2, 2.3/3749=2...(14) HD3 PRO 68 - HG LEU 114 OK 18 71 - 26 - ~7958=3, ~7227=2...(16) HD2 PRO 68 - HG LEU 114 OK 18 70 - 26 - ~7958=3, ~7227=2...(16) HA ALA 43 - HG2 PRO 68 OK 10 99 - 10 - 6805/2.3=1, 6805=1, 2.1/6808=1 HB THR 62 - HG2 PRO 68 lone 10 100 - 10 - 7106/1.8=2, ~8297=1...(6) HB THR 62 - HG LEU 114 poor 8 71 - 11 - ~7960=4, 7104/2.1=2, ~7117=2 HA ILE 34 - HG2 PRO 68 lone 7 97 - 8 - 3743/2.3=1, 3737/2.3=1 HA ARG 53 - HG2 PRO 60 poor 7 56 - 13 - 6066/1.8=2, 6068/2.3=2 HA ALA 43 - HG LEU 114 lone 6 69 - 9 - ~7959=1, 6803/3.0=1 HA ILE 34 - HG2 PRO 60 lone 6 87 - 7 - ~6686=2, ~6636=2...(4) HA3 GLY 2 - HG2 PRO 68 lone 5 97 - 5 - HA2 GLY 2 - HG2 PRO 68 lone 5 97 - 5 - HA ARG 85 - HG2 PRO 60 lone 4 78 - 6 - 4281/2.3=2 HB THR 62 - HG2 PRO 60 lone 4 93 - 4 - HA ARG 85 - HG2 PRO 68 lone 4 89 - 4 - HA ARG 53 - HG2 PRO 68 lone 4 65 - 5 - HB THR 95 - HG2 PRO 68 lone 3 71 - 5 - 4.1/467=1 HB2 SER 112 - HG2 PRO 68 lone 3 78 - 4 - HA ARG 85 - HG LEU 114 lone 3 56 - 6 - 4278/3.0=1, 6158/5.2=1 HB3 SER 112 - HG2 PRO 68 lone 3 73 - 4 - HA THR 23 - HG2 PRO 68 lone 3 83 - 3 - HA ALA 43 - HG2 PRO 60 lone 1 91 - 1 - HB2 SER 112 - HG LEU 114 lone 1 48 - 3 - 4.5/7929=2 HA THR 23 - HG LEU 114 lone 1 52 - 3 - HB3 SER 112 - HG LEU 114 lone 1 44 - 3 - 4.5/7929=2 HB THR 95 - HG LEU 114 lone 1 43 - 3 - HA2 GLY 25 - HG2 PRO 68 lone 1 83 - 1 - HB2 SER 112 - HG2 PRO 60 lone 1 68 - 1 - HA ILE 34 - HG LEU 114 lone 1 65 - 1 - HB3 SER 112 - HG2 PRO 60 lone 1 63 - 1 - HA THR 23 - HG2 PRO 60 lone 1 72 - 1 - HA ARG 53 - HG LEU 114 lone 1 39 - 1 - HB THR 95 - HG2 PRO 60 lone 0 61 - 1 - HA2 GLY 25 - HG LEU 114 lone 0 52 - 1 - HA2 GLY 25 - HG2 PRO 60 lone 0 72 - 1 - HA2 GLY 2 - HG2 PRO 60 lone 0 87 - 0 - HA3 GLY 2 - HG2 PRO 60 lone 0 87 - 0 - HA3 GLY 2 - HG LEU 114 lone 0 65 - 1 - HA2 GLY 2 - HG LEU 114 lone 0 65 - 1 - Peak 3752 from cnoeabs.peaks (4.18, 1.87, 27.06 ppm; 3.52 A): 4 out of 20 assignments used, quality = 0.95: * HA PRO 68 + HG3 PRO 68 OK 83 100 - 83 - 3.8=76, 3.6/324=10...(5) HA PRO 68 + HG LEU 55 OK 34 92 - 37 - 2.3/3742=6, 2.3/3735=6...(14) HA VAL 66 + HG3 PRO 68 OK 31 63 - 49 - 3.2/7179=8, ~7229=5...(16) HA ARG 92 + HG3 PRO 68 OK 29 100 - 29 - 4416=5, 3738/2.3=4...(11) HA GLU 56 - HG3 PRO 68 OK 27 87 - 32 - 3731/2.3=5, 3738/2.3=4...(12) HA GLU 28 - HG3 PRO 68 OK 20 60 - 33 - 3.0/2313=4, 2307=3...(16) HA ARG 92 - HG LEU 55 OK 18 92 - 20 - 3.6/8640=4, 4416=3...(6) HA GLU 56 - HG LEU 55 OK 17 75 - 23 - 2.9/254=5, ~7018=4...(5) HA ILE 22 - HG LEU 55 OK 15 50 - 31 - 2145/2.1=4, ~7005=4...(12) HA LEU 126 - HG LEU 55 poor 8 67 - 13 - ~8128=2, 4416=2...(6) HA GLU 28 - HG LEU 55 poor 8 50 - 16 - 3.0/884=2, 2307=2...(6) HA VAL 66 - HG LEU 55 poor 6 53 - 11 - 3.2/7233=3 HA ILE 22 - HG3 PRO 68 lone 5 60 - 9 - HA LEU 126 - HG3 PRO 68 lone 4 78 - 5 - HA SER 78 - HG LEU 55 lone 4 73 - 5 - ~369=2, ~5729=1 HA3 GLY 61 - HG3 PRO 68 lone 2 99 - 2 - HA3 GLY 61 - HG LEU 55 lone 2 90 - 2 - HA SER 13 - HG LEU 55 lone 2 50 - 4 - HA SER 78 - HG3 PRO 68 lone 2 85 - 2 - HA SER 13 - HG3 PRO 68 lone 1 60 - 1 - Peak 3753 from cnoeabs.peaks (2.23, 1.87, 27.06 ppm; 3.22 A): 1 out of 24 assignments used, quality = 1.00: * HB2 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 2.3=100 HB2 PRO 68 - HG LEU 55 OK 40 92 - 44 - 3735=8, 1.8/3742=6...(21) HG3 GLU 28 - HG3 PRO 68 OK 35 100 - 35 - 3739/2.3=4, 2331=4...(19) HG2 GLU 28 - HG3 PRO 68 OK 35 100 - 35 - 3739/2.3=4, 2325=4...(19) HB2 PRO 70 - HG3 PRO 68 OK 24 97 - 25 - 3739/2.3=4, 3725/3.8=2...(12) HG2 GLU 56 - HG3 PRO 68 OK 20 96 - 21 - 3739/2.3=2, ~3289=2...(12) HB3 LEU 117 - HG LEU 55 OK 17 92 - 19 - 3.1/8297=2, 8009/2.1=2...(6) HG2 GLU 94 - HG3 PRO 68 OK 17 100 - 17 - 3739/2.3=2, 2331=2...(5) HB3 LEU 117 - HG3 PRO 68 OK 13 100 - 14 - 3739/2.3=2, ~7226=1...(5) HG2 GLU 56 - HG LEU 55 OK 12 85 - 14 - 3279/4.8=6, ~8500=2, 8501/2.1=2 HG3 GLU 28 - HG LEU 55 OK 11 92 - 12 - 3.0/2313=1, 2331=1...(4) HG2 GLU 28 - HG LEU 55 OK 11 91 - 12 - 3.0/2313=1, 2325=1...(4) HB2 PRO 70 - HG LEU 55 lone 9 87 - 10 - 1035/4.8=1, ~6906=1 HB3 PRO 37 - HG LEU 55 lone 5 73 - 7 - HG2 GLU 38 - HG3 PRO 68 lone 5 99 - 5 - HG3 GLU 38 - HG3 PRO 68 lone 5 99 - 5 - HG2 GLU 38 - HG LEU 55 lone 5 90 - 5 - HG3 GLU 38 - HG LEU 55 lone 5 90 - 5 - HG2 GLU 94 - HG LEU 55 lone 4 91 - 5 - HB3 PRO 37 - HG3 PRO 68 lone 3 85 - 4 - HG3 GLU 64 - HG3 PRO 68 lone 3 100 - 3 - HG3 GLU 15 - HG3 PRO 68 lone 2 89 - 2 - HG3 GLU 64 - HG LEU 55 lone 2 92 - 2 - HG3 GLU 15 - HG LEU 55 lone 1 77 - 1 - Peak 3754 from cnoeabs.peaks (1.98, 1.87, 27.06 ppm; 2.43 A): 2 out of 28 assignments used, quality = 1.00: * HB3 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 2.3=100 HG2 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 1.8=100 HB2 LEU 55 - HG LEU 55 OK 45 75 - 60 - 3.0=54, 3226/4.7=3...(7) HB3 PRO 68 - HG LEU 55 OK 25 92 - 27 - 3742=5, 1.8/3735=3...(8) HG2 PRO 68 - HG LEU 55 OK 24 92 - 26 - 3749=4, 2.3/3742=3...(9) HG LEU 114 - HG3 PRO 68 OK 17 100 - 17 - 3749=2, ~7958=2...(6) HG2 PRO 60 - HG3 PRO 68 OK 15 97 - 16 - 3749=3, ~3471=1, ~3472=1...(5) HB2 LEU 55 - HG3 PRO 68 OK 15 87 - 18 - 3733/2.3=1, 1.8/3243=1...(4) HB2 GLU 94 - HG3 PRO 68 poor 10 92 - 11 - 4522/2.3=1, 4521/1.8=1 HG LEU 114 - HG LEU 55 lone 9 92 - 10 - 5082/2.1=1, 3749=1 HB2 LYS 46 - HG3 PRO 68 lone 8 92 - 9 - 6864/2.3=1, 6864/2.3=1 HB3 GLU 94 - HG3 PRO 68 poor 6 60 - 10 - 4526/2.3=1 HB2 LEU 41 - HG LEU 55 lone 6 92 - 6 - HG2 PRO 60 - HG LEU 55 lone 5 87 - 6 - HB ILE 124 - HG3 PRO 68 lone 4 100 - 4 - HB ILE 124 - HG LEU 55 lone 4 92 - 5 - HB2 LEU 41 - HG3 PRO 68 lone 4 100 - 4 - HB2 LYS 46 - HG LEU 55 lone 3 80 - 4 - HB2 ARG 71 - HG LEU 55 lone 3 88 - 3 - HB2 GLU 94 - HG LEU 55 lone 2 80 - 2 - HB2 ARG 71 - HG3 PRO 68 lone 2 98 - 2 - HG LEU 45 - HG3 PRO 68 lone 1 97 - 1 - HG LEU 45 - HG LEU 55 lone 1 86 - 2 - HB2 MET 11 - HG3 PRO 68 lone 1 100 - 1 - HB3 GLN 103 - HG3 PRO 68 lone 1 100 - 1 - HB3 GLN 103 - HG LEU 55 lone 1 92 - 1 - HB3 GLU 94 - HG LEU 55 lone 1 50 - 2 - HB2 MET 11 - HG LEU 55 lone 1 92 - 1 - Peak 3755 from cnoeabs.peaks (1.98, 1.87, 27.06 ppm; 2.43 A): 2 out of 28 assignments used, quality = 1.00: * HG2 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 1.8=100 HB3 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 2.3=100 HB2 LEU 55 - HG LEU 55 OK 41 69 - 60 - 3.0=54, 3226/4.7=3...(7) HB3 PRO 68 - HG LEU 55 OK 24 92 - 27 - 3742=5, 1.8/3735=3...(8) HG2 PRO 68 - HG LEU 55 OK 24 92 - 26 - 3749=4, 2.3/3742=3...(9) HG LEU 114 - HG3 PRO 68 OK 17 100 - 17 - 3749=2, ~7958=2...(6) HG2 PRO 60 - HG3 PRO 68 OK 15 95 - 16 - 3749=3, ~3471=1, ~3472=1...(5) HB2 LEU 55 - HG3 PRO 68 OK 14 81 - 18 - 3733/2.3=1, 1.8/3243=1...(4) HB2 GLU 94 - HG3 PRO 68 poor 9 87 - 11 - 4522/2.3=1, 4521/1.8=1 HG LEU 114 - HG LEU 55 lone 9 92 - 9 - 5082/2.1=1, 3749=1 HB2 LYS 46 - HG3 PRO 68 lone 7 87 - 9 - 6864/2.3=1, 6864/2.3=1 HB3 GLU 94 - HG3 PRO 68 poor 7 68 - 11 - 4526/2.3=1, 4526/1.8=1 HB2 LEU 41 - HG LEU 55 lone 6 92 - 6 - HG2 PRO 60 - HG LEU 55 lone 5 83 - 6 - HB ILE 124 - HG3 PRO 68 lone 4 100 - 4 - HB ILE 124 - HG LEU 55 lone 4 92 - 4 - HB2 LEU 41 - HG3 PRO 68 lone 4 100 - 4 - HB2 LYS 46 - HG LEU 55 lone 3 75 - 4 - HB2 ARG 71 - HG LEU 55 lone 3 90 - 3 - HB2 GLU 94 - HG LEU 55 lone 2 75 - 2 - HB2 ARG 71 - HG3 PRO 68 lone 2 99 - 2 - HG LEU 45 - HG3 PRO 68 lone 1 99 - 1 - HG LEU 45 - HG LEU 55 lone 1 89 - 1 - HB2 MET 11 - HG3 PRO 68 lone 1 99 - 1 - HB3 GLN 103 - HG3 PRO 68 lone 1 100 - 1 - HB3 GLU 94 - HG LEU 55 lone 1 58 - 2 - HB3 GLN 103 - HG LEU 55 lone 1 92 - 1 - HB2 MET 11 - HG LEU 55 lone 1 90 - 1 - Peak 3756 from cnoeabs.peaks (1.87, 1.87, 27.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 68 + HG3 PRO 68 OK 100 100 - 100 HG LEU 55 + HG LEU 55 OK 82 82 - 100 Peak 3757 from cnoeabs.peaks (3.91, 1.87, 27.06 ppm; 3.12 A): 2 out of 30 assignments used, quality = 1.00: * HD2 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 2.3=100 HD3 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 2.3=100 HD2 PRO 68 - HG LEU 55 OK 35 92 - 38 - 3.0/3742=4, 3.0/3735=4...(17) HD3 PRO 68 - HG LEU 55 OK 35 92 - 38 - 3.0/3742=4, 3.0/3735=4...(16) HB THR 62 - HG LEU 55 OK 22 92 - 24 - 7104/2.1=5, 2.1/7114=4...(8) HA ARG 53 - HG LEU 55 OK 13 60 - 21 - 6065/4.8=5, 6064/4.7=3...(6) HB THR 62 - HG3 PRO 68 lone 9 100 - 9 - 7106=1, 2.1/7114=1...(4) HB2 SER 112 - HG LEU 55 poor 8 71 - 11 - ~7919=1, 3.0/3241=1 HB3 SER 112 - HG LEU 55 poor 8 67 - 11 - ~7919=1, 3.0/3241=1 HA ALA 43 - HG3 PRO 68 lone 7 99 - 7 - 3744/2.3=1, 6805/1.8=1 HA ILE 34 - HG3 PRO 68 lone 7 98 - 7 - 3743/2.3=1, 3736/2.3=1 HB3 ASN 79 - HG LEU 55 lone 5 50 - 10 - 3.5/3240=1, ~3254=1...(4) HA2 GLY 2 - HG3 PRO 68 lone 5 98 - 4 - HA3 GLY 2 - HG3 PRO 68 lone 5 98 - 4 - HA THR 23 - HG LEU 55 lone 4 67 - 6 - ~77=2, 6453/2.1=1 HA ALA 43 - HG LEU 55 lone 4 89 - 5 - HA ARG 53 - HG3 PRO 68 lone 4 71 - 5 - HB2 SER 112 - HG3 PRO 68 lone 3 83 - 4 - HA ARG 85 - HG3 PRO 68 lone 3 85 - 3 - HB3 ASN 79 - HG3 PRO 68 lone 3 60 - 5 - HB3 SER 112 - HG3 PRO 68 lone 3 78 - 4 - HB THR 95 - HG3 PRO 68 lone 3 76 - 3 - HA THR 23 - HG3 PRO 68 lone 2 78 - 3 - HA ARG 85 - HG LEU 55 lone 2 73 - 2 - HA ILE 34 - HG LEU 55 lone 2 88 - 2 - HB THR 95 - HG LEU 55 lone 1 65 - 2 - HA2 GLY 25 - HG3 PRO 68 lone 1 78 - 1 - HA2 GLY 25 - HG LEU 55 lone 1 67 - 1 - HA3 GLY 2 - HG LEU 55 lone 1 88 - 1 - HA2 GLY 2 - HG LEU 55 lone 1 88 - 1 - Peak 3758 from cnoeabs.peaks (3.92, 1.87, 27.06 ppm; 3.12 A): 2 out of 28 assignments used, quality = 1.00: * HD3 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 2.3=100 HD2 PRO 68 + HG3 PRO 68 OK 100 100 - 100 - 2.3=100 HD2 PRO 68 - HG LEU 55 OK 35 92 - 38 - 3.0/3742=4, 3.0/3735=4...(16) HD3 PRO 68 - HG LEU 55 OK 35 92 - 38 - 3.0/3742=4, 3.0/3735=4...(16) HB THR 62 - HG LEU 55 OK 22 92 - 24 - 7104/2.1=5, 2.1/7114=4...(8) HA ARG 53 - HG LEU 55 OK 11 55 - 20 - 6065/4.8=4, 6064/4.7=3...(6) HB THR 62 - HG3 PRO 68 lone 9 100 - 9 - 7106=1, 2.1/7114=1...(4) HB2 SER 112 - HG LEU 55 poor 7 67 - 11 - ~7919=1, 3.0/3241=1 HA ALA 43 - HG3 PRO 68 lone 7 99 - 7 - 6805/2.3=1, 6805/1.8=1 HB3 SER 112 - HG LEU 55 poor 7 62 - 11 - ~7919=1, 3.0/3241=1 HA ILE 34 - HG3 PRO 68 lone 6 97 - 7 - 3743/2.3=1, 3737/2.3=1 HA THR 23 - HG LEU 55 lone 5 71 - 6 - ~77=2, 6453/2.1=1 HA3 GLY 2 - HG3 PRO 68 lone 4 97 - 4 - HA2 GLY 2 - HG3 PRO 68 lone 4 97 - 4 - HA ALA 43 - HG LEU 55 lone 4 90 - 5 - HA ARG 53 - HG3 PRO 68 lone 3 65 - 5 - HA ARG 85 - HG3 PRO 68 lone 3 89 - 3 - HB2 SER 112 - HG3 PRO 68 lone 3 78 - 4 - HB3 SER 112 - HG3 PRO 68 lone 3 73 - 4 - HA THR 23 - HG3 PRO 68 lone 3 83 - 3 - HB THR 95 - HG3 PRO 68 lone 2 71 - 3 - HA ARG 85 - HG LEU 55 lone 2 77 - 2 - HA ILE 34 - HG LEU 55 lone 1 86 - 2 - HB THR 95 - HG LEU 55 lone 1 60 - 2 - HA2 GLY 25 - HG LEU 55 lone 1 71 - 1 - HA2 GLY 25 - HG3 PRO 68 lone 1 83 - 1 - HA2 GLY 2 - HG LEU 55 lone 1 86 - 1 - HA3 GLY 2 - HG LEU 55 lone 1 86 - 1 - Peak 3759 from cnoeabs.peaks (8.26, 4.58, 53.03 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 69 + HA GLU 69 OK 100 100 - 100 - 3.0=100 H TRP 20 - HA GLU 69 OK 45 92 - 49 - 832=9, 3771/3.0=7...(16) H GLU 69 - HA ASP 47 OK 44 97 - 45 - 1101=10, 6894/3.0=6...(15) H VAL 49 - HA ASP 47 OK 25 91 - 28 - 211/3.6=17, 6894/3.0=8 H VAL 49 - HA GLU 69 OK 25 97 - 26 - 7274/3.8=4, 7277/3.8=4...(9) H TRP 20 - HA ASP 47 OK 11 86 - 13 - 832=3, 1457/3.6=2...(4) Peak 3760 from cnoeabs.peaks (4.58, 4.58, 53.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 69 + HA GLU 69 OK 100 100 - 100 HA ASP 47 + HA ASP 47 OK 97 97 - 100 Peak 3761 from cnoeabs.peaks (1.83, 4.58, 53.03 ppm; 3.87 A): 1 out of 22 assignments used, quality = 1.00: * HB2 GLU 69 + HA GLU 69 OK 100 100 - 100 - 3.0=100 HB2 GLU 69 - HA ASP 47 OK 41 97 - 43 - 3766=8, 1.8/3772=8...(13) HB3 GLN 105 - HA GLU 69 OK 32 92 - 35 - 3766=6, 3773/3.0=4...(15) HG13 ILE 63 - HA GLU 69 OK 15 95 - 16 - 1102/3.0=2, 3773/3.0=2...(7) HG LEU 41 - HA GLU 69 OK 14 100 - 14 - 1102/3.0=2, 8326/3.8=2...(5) HG12 ILE 22 - HA GLU 69 OK 11 93 - 12 - 5.0/1563=2, 1102/3.0=2...(5) HG2 GLU 75 - HA GLU 69 poor 10 83 - 12 - ~7241=3, 3967/3.8=2...(4) HG LEU 41 - HA ASP 47 lone 7 97 - 8 - ~6870=3, ~6873=1, ~199=1 HG3 ARG 53 - HA GLU 69 lone 7 99 - 7 - 1102/3.0=1, 8326/3.8=1 HB3 ARG 57 - HA GLU 69 lone 6 81 - 7 - HG2 GLU 73 - HA GLU 69 lone 5 100 - 5 - HG3 GLU 73 - HA GLU 69 lone 5 99 - 5 - HG13 ILE 63 - HA ASP 47 lone 3 89 - 3 - HB3 ARG 92 - HA GLU 69 lone 3 65 - 4 - ~324=1 HG12 ILE 22 - HA ASP 47 lone 3 87 - 3 - HB3 GLN 105 - HA ASP 47 lone 2 86 - 3 - HG3 ARG 53 - HA ASP 47 lone 2 95 - 2 - HG2 GLU 75 - HA ASP 47 lone 2 76 - 2 - HG2 GLU 73 - HA ASP 47 lone 1 96 - 1 - HG3 GLU 73 - HA ASP 47 lone 1 95 - 1 - HB3 ARG 57 - HA ASP 47 lone 1 74 - 1 - HB3 ARG 92 - HA ASP 47 lone 1 60 - 1 - Peak 3762 from cnoeabs.peaks (1.94, 4.58, 53.03 ppm; 3.57 A): 1 out of 30 assignments used, quality = 1.00: * HB3 GLU 69 + HA GLU 69 OK 100 100 - 100 - 3.0=100 HB3 GLU 69 - HA ASP 47 OK 37 97 - 38 - 3772=9, 1.8/3766=6...(13) HB3 PRO 30 - HA GLU 69 OK 27 100 - 28 - 3780/4.0=4, 1.8/3763=4...(12) HB ILE 80 - HA GLU 69 OK 17 81 - 21 - 3.0/3763=2, 3780/4.0=2...(10) HB2 LEU 21 - HA GLU 69 OK 14 89 - 16 - 3.8/56=3, 4.6/1563=2...(5) HG LEU 45 - HA ASP 47 OK 13 57 - 24 - 2.1/2906=4, 2.1/2913=4...(9) HB2 GLU 64 - HA GLU 69 OK 12 99 - 12 - 3.0/3784=2, 1103/3.0=1...(4) HB3 GLU 64 - HA GLU 69 OK 12 99 - 12 - 3.0/3784=2, 1103/3.0=1...(4) HG LEU 58 - HA GLU 69 lone 8 97 - 8 - 2.1/8748=1, 1103/3.0=1 HG LEU 45 - HA GLU 69 poor 8 63 - 12 - 2.1/2906=2, 2.1/2913=2...(5) HB2 GLU 38 - HA GLU 69 lone 6 100 - 6 - 8325/3.8=2 HB2 LYS 109 - HA GLU 69 lone 5 99 - 5 - 1103/3.0=1 HB ILE 80 - HA ASP 47 lone 5 74 - 6 - 3.2/8686=1, ~7428=1, 3.0/3763=1 HB3 GLU 94 - HA GLU 69 lone 4 97 - 4 - 1103/3.0=1 HB3 LYS 119 - HA GLU 69 lone 4 100 - 4 - HB3 LYS 119 - HA ASP 47 lone 4 97 - 4 - HB3 ARG 85 - HA GLU 69 lone 3 100 - 3 - HB2 ARG 85 - HA GLU 69 lone 3 100 - 3 - HB2 LYS 109 - HA ASP 47 lone 3 95 - 3 - HB2 LEU 21 - HA ASP 47 lone 2 82 - 3 - HB3 PRO 30 - HA ASP 47 lone 2 96 - 2 - HG LEU 58 - HA ASP 47 lone 2 91 - 3 - HB3 MET 11 - HA GLU 69 lone 2 65 - 2 - HB3 MET 11 - HA ASP 47 lone 2 60 - 3 - ~5584=1 HB2 GLU 64 - HA ASP 47 lone 1 95 - 1 - HB3 GLU 64 - HA ASP 47 lone 1 94 - 1 - HB2 GLU 38 - HA ASP 47 lone 1 97 - 1 - HB2 ARG 85 - HA ASP 47 lone 1 96 - 1 - HB3 ARG 85 - HA ASP 47 lone 1 96 - 1 - HB3 GLU 94 - HA ASP 47 lone 1 92 - 1 - Peak 3763 from cnoeabs.peaks (2.15, 4.58, 53.03 ppm; 3.89 A): 1 out of 10 assignments used, quality = 0.98: * HG2 GLU 69 + HA GLU 69 OK 98 100 - 98 - 4.0=93, 1.8/3784=21...(15) HB2 PRO 30 - HA GLU 69 OK 27 95 - 29 - 3775/3.0=6, 3769/3.0=5...(11) HG2 GLU 69 - HA ASP 47 OK 27 97 - 28 - 3778=7, 3.0/3772=6...(7) HB3 GLU 15 - HA GLU 69 OK 23 96 - 24 - 3775/3.0=4, 3769/3.0=4...(9) HG12 ILE 80 - HA GLU 69 OK 22 93 - 24 - 3775/3.0=4, 3769/3.0=4...(9) HB VAL 115 - HA GLU 69 OK 17 96 - 17 - 1104/3.0=3, 5104/3.8=3...(8) HG12 ILE 80 - HA ASP 47 poor 10 87 - 11 - 6877/3.6=5, 2.1/8686=2 HB VAL 115 - HA ASP 47 lone 7 90 - 8 - ~6870=3, ~6873=2 HB2 PRO 30 - HA ASP 47 lone 3 89 - 3 - HB3 GLU 15 - HA ASP 47 lone 2 90 - 2 - Peak 3764 from cnoeabs.peaks (2.09, 4.58, 53.03 ppm; 3.90 A): 2 out of 24 assignments used, quality = 0.99: * HG3 GLU 69 + HA GLU 69 OK 98 100 - 98 - 4.0=94, 1.8/3778=24...(13) HB3 PRO 70 + HA GLU 69 OK 63 95 - 67 - 3.0/7266=19, 3.0/7265=18...(13) HB3 PRO 70 - HA ASP 47 OK 35 89 - 40 - ~8328=13, 3.0/7266=8...(6) HB2 GLU 15 - HA GLU 69 OK 30 100 - 30 - 1913/4.0=4, 1.8/3763=4...(11) HB2 GLN 105 - HA GLU 69 OK 28 93 - 30 - 1.8/3766=5, 4773/3.0=4...(13) HG3 GLU 69 - HA ASP 47 OK 25 97 - 26 - 1.8/3778=6, 3.0/3772=6...(6) HB2 LEU 101 - HA GLU 69 OK 16 98 - 17 - 3798/3.8=3, 3791/3.8=3...(5) HG LEU 21 - HA GLU 69 OK 16 99 - 16 - 4.7/56=3, 3776/3.0=2...(6) HB2 LEU 114 - HA GLU 69 OK 15 98 - 15 - 6221/3.8=3, 1105/3.0=2...(5) HG2 GLU 64 - HA GLU 69 OK 14 85 - 16 - 3784=3, 3783/3.0=2...(8) HB ILE 63 - HA GLU 69 poor 10 65 - 15 - 3784=2, 3.0/3761=2...(6) HB3 GLN 16 - HA GLU 69 lone 6 97 - 6 - HB2 GLN 16 - HA GLU 69 lone 6 96 - 6 - HB2 ARG 57 - HA GLU 69 lone 5 85 - 6 - HB2 LEU 114 - HA ASP 47 lone 4 93 - 4 - ~204=1 HB2 LEU 101 - HA ASP 47 lone 3 93 - 4 - HB2 GLU 15 - HA ASP 47 lone 3 96 - 3 - HG LEU 21 - HA ASP 47 lone 3 94 - 3 - HB2 GLN 105 - HA ASP 47 lone 2 87 - 2 - HB ILE 63 - HA ASP 47 lone 2 60 - 3 - HG2 GLU 64 - HA ASP 47 lone 2 79 - 2 - HB2 ARG 57 - HA ASP 47 lone 1 79 - 1 - HB3 GLN 16 - HA ASP 47 lone 1 91 - 1 - HB2 GLN 16 - HA ASP 47 lone 1 90 - 1 - Peak 3765 from cnoeabs.peaks (8.26, 1.83, 30.00 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 3.6=100 H TRP 20 - HB2 GLU 69 OK 33 92 - 37 - 3771/1.8=8, 3777/3.0=6...(10) H GLU 69 - HB3 GLN 105 OK 19 92 - 21 - 1102=5, 3.0/3766=3...(8) H VAL 49 - HB2 GLU 69 OK 19 97 - 19 - 3771/1.8=4, 3777/3.0=4...(7) H VAL 49 - HB3 GLN 105 lone 3 86 - 3 - H TRP 20 - HB3 GLN 105 lone 2 80 - 3 - Peak 3766 from cnoeabs.peaks (4.58, 1.83, 30.00 ppm; 3.58 A): 1 out of 14 assignments used, quality = 1.00: * HA GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 3.0=100 HA ASP 47 - HB2 GLU 69 OK 37 100 - 37 - 3772/1.8=7, 3761=6...(13) HA TRP 20 - HB2 GLU 69 OK 36 89 - 41 - 3772/1.8=7, 3778/3.0=5...(17) HA GLU 69 - HB3 GLN 105 OK 27 92 - 30 - 3761=5, 3.0/3773=4...(15) HA LEU 45 - HB2 GLU 69 OK 14 92 - 15 - 3772/1.8=3, 1101/3.6=2...(8) HA ASN 99 - HB3 GLN 105 lone 5 66 - 8 - ~8533=4, ~8448=2, ~7785=1 HA ASN 99 - HB2 GLU 69 lone 3 78 - 4 - HA TRP 20 - HB3 GLN 105 lone 2 77 - 3 - HB THR 121 - HB2 GLU 69 lone 2 87 - 3 - HA ASP 47 - HB3 GLN 105 lone 2 92 - 2 - HB THR 121 - HB3 GLN 105 lone 1 75 - 2 - HA LEU 45 - HB3 GLN 105 lone 1 80 - 1 - HA THR 95 - HB2 GLU 69 lone 1 57 - 1 - HA THR 95 - HB3 GLN 105 lone 0 47 - 1 - Peak 3767 from cnoeabs.peaks (1.83, 1.83, 30.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB3 GLN 105 + HB3 GLN 105 OK 80 80 - 100 Peak 3768 from cnoeabs.peaks (1.94, 1.83, 30.00 ppm; 2.55 A): 1 out of 30 assignments used, quality = 1.00: * HB3 GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 1.8=100 HB3 PRO 30 - HB2 GLU 69 OK 19 100 - 19 - 1.8/3769=3, 3780/3.0=3...(5) HB3 GLU 69 - HB3 GLN 105 OK 15 92 - 17 - 3.0/3779=2, 3776/1.8=2...(6) HB ILE 80 - HB2 GLU 69 OK 10 81 - 13 - 3780/3.0=2, 3.0/3769=2 HB2 LEU 21 - HB2 GLU 69 lone 6 89 - 7 - HB2 GLU 64 - HB2 GLU 69 lone 6 99 - 6 - HB3 GLU 64 - HB2 GLU 69 lone 6 99 - 6 - HG LEU 58 - HB2 GLU 69 lone 3 97 - 3 - HB2 GLU 38 - HB2 GLU 69 lone 3 100 - 3 - HG LEU 45 - HB2 GLU 69 lone 3 63 - 4 - HB3 MET 11 - HB3 GLN 105 lone 2 55 - 4 - HB2 GLU 38 - HB3 GLN 105 lone 2 92 - 2 - HB3 LYS 119 - HB2 GLU 69 lone 2 100 - 2 - HB2 LYS 109 - HB2 GLU 69 lone 2 99 - 2 - HB3 GLU 94 - HB2 GLU 69 lone 2 97 - 2 - HB3 GLU 94 - HB3 GLN 105 lone 1 87 - 2 - HB3 ARG 85 - HB2 GLU 69 lone 1 100 - 1 - HB2 ARG 85 - HB2 GLU 69 lone 1 100 - 1 - HB3 LYS 119 - HB3 GLN 105 lone 1 92 - 1 - HB2 LEU 21 - HB3 GLN 105 lone 1 77 - 2 - HB3 PRO 30 - HB3 GLN 105 lone 1 91 - 1 - HB2 GLU 64 - HB3 GLN 105 lone 1 90 - 1 - HB3 GLU 64 - HB3 GLN 105 lone 1 89 - 1 - HB2 LYS 109 - HB3 GLN 105 lone 1 90 - 1 - HB3 MET 11 - HB2 GLU 69 lone 1 65 - 1 - HG LEU 58 - HB3 GLN 105 lone 1 86 - 1 - HB ILE 80 - HB3 GLN 105 lone 1 69 - 1 - HB3 ARG 85 - HB3 GLN 105 lone 0 91 - 0 - HB2 ARG 85 - HB3 GLN 105 lone 0 91 - 0 - HG LEU 45 - HB3 GLN 105 lone 0 52 - 0 - Peak 3769 from cnoeabs.peaks (2.15, 1.83, 30.00 ppm; 3.22 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 3.0=100 HB2 PRO 30 - HB2 GLU 69 OK 30 95 - 32 - 3775/1.8=6, 1.8/3768=4...(16) HG2 GLU 69 - HB3 GLN 105 OK 24 92 - 26 - 3779=7, 3.0/3773=3...(9) HB3 GLU 15 - HB2 GLU 69 OK 22 96 - 23 - 3775/1.8=4, 3787/3.0=3...(8) HG12 ILE 80 - HB2 GLU 69 OK 21 93 - 23 - 3775/1.8=4, 3787/3.0=2...(11) HB VAL 115 - HB2 GLU 69 OK 12 96 - 13 - 3775/1.8=2, 1104/3.6=2...(5) HB3 GLU 15 - HB3 GLN 105 lone 2 84 - 3 - HB2 PRO 30 - HB3 GLN 105 lone 1 83 - 2 - HG12 ILE 80 - HB3 GLN 105 lone 1 82 - 1 - HB VAL 115 - HB3 GLN 105 lone 1 84 - 1 - Peak 3770 from cnoeabs.peaks (2.09, 1.83, 30.00 ppm; 2.68 A): 2 out of 24 assignments used, quality = 0.97: * HG3 GLU 69 + HB2 GLU 69 OK 82 100 - 82 - 3.0=72, ~3780=8...(9) HB2 GLN 105 + HB3 GLN 105 OK 82 82 - 100 - 1.8=100 HB3 PRO 70 - HB2 GLU 69 OK 34 95 - 36 - 3776/1.8=4, 1105/3.6=3...(16) HB2 GLN 105 - HB2 GLU 69 OK 21 93 - 23 - 4773=4, 3776/1.8=2...(10) HB2 GLU 15 - HB2 GLU 69 OK 18 100 - 18 - 1913/3.0=3, 1.8/3769=3...(6) HG3 GLU 69 - HB3 GLN 105 OK 16 92 - 17 - 1.8/3779=3, 3.0/3773=2...(5) HB3 GLN 16 - HB3 GLN 105 OK 11 86 - 13 - 1954/3.0=1, 1954/3.0=1 HB2 GLN 16 - HB3 GLN 105 OK 11 84 - 13 - 1954/3.0=1, 1954/3.0=1 HB3 PRO 70 - HB3 GLN 105 poor 9 83 - 11 - ~8320=2, 8319/3.0=1, 3.0/7252=1 HB2 ARG 57 - HB3 GLN 105 poor 8 73 - 11 - ~4773=1 HG LEU 21 - HB2 GLU 69 lone 8 99 - 8 - 3776/1.8=1 HG2 GLU 64 - HB2 GLU 69 lone 7 85 - 8 - HB2 LEU 101 - HB2 GLU 69 lone 6 98 - 6 - HB ILE 63 - HB2 GLU 69 lone 5 65 - 8 - HB2 LEU 114 - HB2 GLU 69 lone 5 98 - 5 - HB2 ARG 57 - HB2 GLU 69 lone 4 85 - 4 - HB ILE 63 - HB3 GLN 105 lone 3 55 - 6 - HB3 GLN 16 - HB2 GLU 69 lone 3 97 - 3 - HB2 GLN 16 - HB2 GLU 69 lone 3 96 - 3 - HB2 GLU 15 - HB3 GLN 105 lone 2 91 - 2 - HG LEU 21 - HB3 GLN 105 lone 2 89 - 2 - HB2 LEU 114 - HB3 GLN 105 lone 2 88 - 2 - HB2 LEU 101 - HB3 GLN 105 lone 1 88 - 2 - HG2 GLU 64 - HB3 GLN 105 lone 1 73 - 1 - Peak 3771 from cnoeabs.peaks (8.26, 1.94, 30.00 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 3.6=100 H TRP 20 - HB3 GLU 69 OK 40 92 - 44 - 3765/1.8=8, 3777/3.0=7...(12) H VAL 49 - HB3 GLU 69 OK 20 97 - 21 - 3777/3.0=5, 3765/1.8=5...(6) Peak 3772 from cnoeabs.peaks (4.58, 1.94, 30.00 ppm; 3.63 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 3.0=100 HA TRP 20 - HB3 GLU 69 OK 38 89 - 42 - 3.0/3771=6, 3766/1.8=6...(18) HA ASP 47 - HB3 GLU 69 OK 37 100 - 37 - 3762=6, 3766/1.8=6...(13) HA LEU 45 - HB3 GLU 69 OK 14 92 - 15 - 3766/1.8=2, 1101/3.6=2...(8) HA ASN 99 - HB3 GLU 69 lone 4 78 - 4 - HB THR 121 - HB3 GLU 69 lone 2 87 - 2 - HA THR 95 - HB3 GLU 69 lone 1 57 - 2 - Peak 3773 from cnoeabs.peaks (1.83, 1.94, 30.00 ppm; 2.53 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 1.8=100 HB3 GLN 105 - HB3 GLU 69 OK 15 92 - 16 - 3779/3.0=2, 1.8/3776=2...(6) HG13 ILE 63 - HB3 GLU 69 lone 6 95 - 7 - HG LEU 41 - HB3 GLU 69 lone 5 100 - 5 - HG12 ILE 22 - HB3 GLU 69 lone 4 93 - 4 - HG2 GLU 75 - HB3 GLU 69 lone 3 83 - 4 - HG3 ARG 53 - HB3 GLU 69 lone 3 99 - 3 - HB3 ARG 57 - HB3 GLU 69 lone 3 81 - 3 - HG3 GLU 73 - HB3 GLU 69 lone 2 99 - 2 - HG2 GLU 73 - HB3 GLU 69 lone 2 100 - 2 - HB3 ARG 92 - HB3 GLU 69 lone 1 65 - 1 - Peak 3774 from cnoeabs.peaks (1.94, 1.94, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 Peak 3775 from cnoeabs.peaks (2.15, 1.94, 30.00 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 3.0=100 HB2 PRO 30 - HB3 GLU 69 OK 34 95 - 36 - 2369=5, 3769/1.8=5...(18) HB3 GLU 15 - HB3 GLU 69 OK 24 96 - 25 - 3769/1.8=4, 1.8/3776=3...(9) HG12 ILE 80 - HB3 GLU 69 OK 23 93 - 24 - 3769/1.8=4, 3787/3.0=2...(12) HB VAL 115 - HB3 GLU 69 OK 13 96 - 13 - 3769/1.8=2, 1104/3.6=2...(5) Peak 3776 from cnoeabs.peaks (2.09, 1.94, 30.00 ppm; 3.18 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 3.0=100 HB3 PRO 70 + HB3 GLU 69 OK 46 95 - 48 - 3.0/8325=5, 1105/3.6=4...(21) HB2 GLN 105 - HB3 GLU 69 OK 25 93 - 27 - 1.8/3773=4, 4773/1.8=4...(11) HB2 GLU 15 - HB3 GLU 69 OK 24 100 - 24 - 1.8/3775=4, 1913/3.0=4...(10) HG LEU 21 - HB3 GLU 69 OK 12 99 - 13 - HB2 LEU 101 - HB3 GLU 69 lone 9 98 - 10 - 3798/4.8=2, 3791/4.8=2 HG2 GLU 64 - HB3 GLU 69 poor 9 85 - 10 - 3784/3.0=1, 3783/3.6=1...(4) HB ILE 63 - HB3 GLU 69 poor 8 65 - 12 - 3.0/3773=1, 2.1/7139=1 HB2 LEU 114 - HB3 GLU 69 lone 7 98 - 7 - 6221/4.8=1, 1105/3.6=1 HB2 ARG 57 - HB3 GLU 69 lone 5 85 - 6 - HB3 GLN 16 - HB3 GLU 69 lone 4 97 - 4 - HB2 GLN 16 - HB3 GLU 69 lone 4 96 - 4 - Peak 3777 from cnoeabs.peaks (8.26, 2.15, 36.01 ppm; 3.92 A): 3 out of 3 assignments used, quality = 0.92: * H GLU 69 + HG2 GLU 69 OK 84 100 - 84 - 5.0=47, 1102/3.0=21...(9) H TRP 20 + HG2 GLU 69 OK 34 92 - 37 - 3783/1.8=8, 3771/3.0=7...(9) H VAL 49 + HG2 GLU 69 OK 21 97 - 22 - 3.6/6883=4, 3771/3.0=4...(7) Peak 3778 from cnoeabs.peaks (4.58, 2.15, 36.01 ppm; 3.56 A): 2 out of 7 assignments used, quality = 0.94: * HA GLU 69 + HG2 GLU 69 OK 91 100 - 91 - 4.0=71, 3784/1.8=18...(15) HA TRP 20 + HG2 GLU 69 OK 30 89 - 34 - 3784/1.8=6, 3.0/3777=6...(11) HA ASP 47 - HG2 GLU 69 OK 23 100 - 23 - 3772/3.0=5, 3763=4...(7) HA LEU 45 - HG2 GLU 69 lone 8 92 - 8 - 3772/3.0=2, 3784/1.8=2 HA ASN 99 - HG2 GLU 69 lone 2 78 - 3 - HB THR 121 - HG2 GLU 69 lone 2 87 - 2 - HA THR 95 - HG2 GLU 69 lone 1 57 - 1 - Peak 3779 from cnoeabs.peaks (1.83, 2.15, 36.01 ppm; 3.10 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 - 3.0=100 HB3 GLN 105 - HG2 GLU 69 OK 21 92 - 23 - 3769=5, 3773/3.0=3...(8) HG13 ILE 63 - HG2 GLU 69 lone 8 95 - 8 - 3773/3.0=1 HG LEU 41 - HG2 GLU 69 lone 5 100 - 5 - HG2 GLU 75 - HG2 GLU 69 lone 4 83 - 5 - HG12 ILE 22 - HG2 GLU 69 lone 4 93 - 4 - HB3 ARG 57 - HG2 GLU 69 lone 4 81 - 5 - HG3 ARG 53 - HG2 GLU 69 lone 3 99 - 3 - HG2 GLU 73 - HG2 GLU 69 lone 2 100 - 2 - HG3 GLU 73 - HG2 GLU 69 lone 2 99 - 2 - HB3 ARG 92 - HG2 GLU 69 lone 1 65 - 1 - Peak 3780 from cnoeabs.peaks (1.94, 2.15, 36.01 ppm; 2.85 A): 2 out of 15 assignments used, quality = 0.94: * HB3 GLU 69 + HG2 GLU 69 OK 92 100 - 92 - 3.0=87, 3.0/3778=10...(11) HB3 PRO 30 + HG2 GLU 69 OK 28 100 - 28 - 2375=5, 2.3/2361=3...(13) HB ILE 80 - HG2 GLU 69 OK 15 81 - 19 - 2.1/4080=2, 3.2/4101=2...(9) HB2 GLU 64 - HG2 GLU 69 lone 7 99 - 7 - HB3 GLU 64 - HG2 GLU 69 lone 7 99 - 7 - HB2 LEU 21 - HG2 GLU 69 lone 7 89 - 8 - HG LEU 58 - HG2 GLU 69 lone 3 97 - 3 - HB3 LYS 119 - HG2 GLU 69 lone 2 100 - 2 - HB2 GLU 38 - HG2 GLU 69 lone 2 100 - 2 - HB2 LYS 109 - HG2 GLU 69 lone 2 99 - 2 - HG LEU 45 - HG2 GLU 69 lone 2 63 - 3 - HB3 ARG 85 - HG2 GLU 69 lone 2 100 - 2 - HB2 ARG 85 - HG2 GLU 69 lone 2 100 - 2 - HB3 GLU 94 - HG2 GLU 69 lone 2 97 - 2 - HB3 MET 11 - HG2 GLU 69 lone 1 65 - 1 - Peak 3781 from cnoeabs.peaks (2.15, 2.15, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 Peak 3782 from cnoeabs.peaks (2.09, 2.15, 36.01 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HG3 GLU 69 + HG2 GLU 69 OK 100 100 - 100 - 1.8=100 HB3 PRO 70 - HG2 GLU 69 OK 21 95 - 22 - 3.0/7247=4, 3776/3.0=2...(11) HB2 GLU 15 - HG2 GLU 69 OK 18 100 - 18 - 1913=4, 3.0/1931=2...(6) HB2 GLN 105 - HG2 GLU 69 OK 11 93 - 12 - 1.8/3779=3, 4773/3.0=2 HG2 GLU 64 - HG2 GLU 69 lone 5 85 - 6 - 3787=2 HG LEU 21 - HG2 GLU 69 lone 5 99 - 5 - HB2 LEU 101 - HG2 GLU 69 lone 4 98 - 4 - HB ILE 63 - HG2 GLU 69 lone 3 65 - 5 - HB2 LEU 114 - HG2 GLU 69 lone 3 98 - 3 - HB3 GLN 16 - HG2 GLU 69 lone 3 97 - 3 - HB2 GLN 16 - HG2 GLU 69 lone 3 96 - 3 - HB2 ARG 57 - HG2 GLU 69 lone 2 85 - 3 - Peak 3783 from cnoeabs.peaks (8.26, 2.09, 36.01 ppm; 4.09 A): 2 out of 9 assignments used, quality = 0.93: * H GLU 69 + HG3 GLU 69 OK 88 100 - 88 - 5.0=54, 3777/1.8=24...(9) H TRP 20 + HG3 GLU 69 OK 44 92 - 48 - 3777/1.8=10, 3771/3.0=8...(12) H VAL 49 - HG3 GLU 69 OK 19 97 - 19 - 3777/1.8=6, 3771/3.0=4...(5) H GLU 69 - HG2 GLU 64 OK 13 85 - 16 - 1105=2, 3.0/3784=2...(8) H GLU 69 - HB ILE 63 poor 7 50 - 14 - 1102/3.0=2, 7240/3.2=2...(7) H VAL 49 - HB ILE 63 poor 5 45 - 11 - ~6900=4, 1609/4.0=2, 992/3.2=2 H TRP 20 - HG2 GLU 64 lone 4 73 - 6 - H TRP 20 - HB ILE 63 lone 2 41 - 6 - 4.7/845=1 H VAL 49 - HG2 GLU 64 lone 2 78 - 2 - Peak 3784 from cnoeabs.peaks (4.58, 2.09, 36.01 ppm; 3.54 A): 4 out of 21 assignments used, quality = 0.95: * HA GLU 69 + HG3 GLU 69 OK 89 100 - 89 - 4.0=70, 3778/1.8=21...(13) HA TRP 20 + HG3 GLU 69 OK 30 89 - 34 - 3778/1.8=7, 3.0/3783=5...(11) HA ASP 47 + HG3 GLU 69 OK 20 100 - 20 - 3778/1.8=5, 3772/3.0=5...(5) HA GLU 69 + HG2 GLU 64 OK 10 85 - 12 - 3.0/3783=2, 3764=1...(6) HA LEU 45 - HG3 GLU 69 lone 8 92 - 9 - 3772/3.0=2, 3778/1.8=2 HA GLU 69 - HB ILE 63 poor 6 50 - 12 - 3761/3.0=1, 3.8/7248=1 HA ASN 99 - HG3 GLU 69 lone 2 78 - 3 - HA TRP 20 - HG2 GLU 64 lone 2 69 - 3 - HB THR 121 - HG3 GLU 69 lone 2 87 - 2 - HA TRP 20 - HB ILE 63 lone 1 39 - 4 - 3.6/845=1 HA THR 95 - HG2 GLU 64 lone 1 42 - 3 - ~5810=1 HA ASP 47 - HG2 GLU 64 lone 1 85 - 2 - HA ASP 47 - HB ILE 63 lone 1 50 - 2 - HB THR 121 - HB ILE 63 lone 1 38 - 2 - HA ASN 99 - HB ILE 63 lone 1 33 - 2 - HA THR 95 - HG3 GLU 69 lone 1 57 - 1 - HA LEU 45 - HG2 GLU 64 lone 1 73 - 1 - HA LEU 45 - HB ILE 63 lone 1 41 - 1 - HA THR 95 - HB ILE 63 lone 1 22 - 2 - ~7627=1 HA ASN 99 - HG2 GLU 64 lone 0 60 - 1 - HB THR 121 - HG2 GLU 64 lone 0 67 - 0 - Peak 3785 from cnoeabs.peaks (1.83, 2.09, 36.01 ppm; 3.17 A): 1 out of 33 assignments used, quality = 1.00: * HB2 GLU 69 + HG3 GLU 69 OK 100 100 - 100 - 3.0=100 HG13 ILE 63 - HB ILE 63 OK 43 43 - 100 - 3.0=100 HB3 GLN 105 - HG3 GLU 69 OK 23 92 - 25 - 3779/1.8=5, 3773/3.0=3...(9) HG3 ARG 53 - HB ILE 63 OK 18 48 - 38 - 3157/3.0=4, 3517/2.1=4...(20) HB3 ARG 57 - HB ILE 63 OK 17 34 - 51 - 3517/2.1=4, 3309=4...(30) HG13 ILE 63 - HG2 GLU 64 OK 17 76 - 22 - ~7157=2, 3.2/3514=2...(13) HB2 GLU 69 - HG2 GLU 64 poor 10 85 - 12 - 3.0/3784=1, 1.8/3776=1...(5) HG13 ILE 63 - HG3 GLU 69 lone 9 95 - 9 - 3779/1.8=2, 3773/3.0=1 HG LEU 41 - HB ILE 63 poor 8 50 - 17 - 3517/2.1=2, ~3518=2...(8) HB2 GLU 69 - HB ILE 63 poor 6 50 - 12 - 1.8/3776=1 HG LEU 41 - HG3 GLU 69 lone 6 100 - 6 - 3779/1.8=1, 3773/3.0=1 HG12 ILE 22 - HG3 GLU 69 lone 5 93 - 5 - HB3 ARG 57 - HG3 GLU 69 lone 5 81 - 6 - HG2 GLU 75 - HG3 GLU 69 lone 5 83 - 6 - HG12 ILE 22 - HB ILE 63 lone 4 42 - 9 - HG3 ARG 53 - HG3 GLU 69 lone 4 99 - 4 - HB3 GLN 105 - HB ILE 63 lone 4 41 - 9 - HB3 ARG 57 - HG2 GLU 64 lone 3 62 - 6 - HG2 GLU 73 - HG3 GLU 69 lone 3 100 - 3 - HG3 GLU 73 - HG3 GLU 69 lone 3 99 - 3 - HG2 GLU 73 - HB ILE 63 lone 2 49 - 4 - HG3 GLU 73 - HB ILE 63 lone 2 48 - 4 - HB3 GLN 105 - HG2 GLU 64 lone 1 73 - 2 - HG12 ILE 22 - HG2 GLU 64 lone 1 74 - 2 - HG2 GLU 75 - HB ILE 63 lone 1 35 - 4 - HB3 ARG 92 - HB ILE 63 lone 1 26 - 4 - HG LEU 41 - HG2 GLU 64 lone 1 85 - 1 - HG3 ARG 53 - HG2 GLU 64 lone 1 83 - 1 - HB3 ARG 92 - HG3 GLU 69 lone 1 65 - 1 - HG2 GLU 75 - HG2 GLU 64 lone 1 64 - 1 - HG2 GLU 73 - HG2 GLU 64 lone 1 83 - 1 - HG3 GLU 73 - HG2 GLU 64 lone 1 83 - 1 - HB3 ARG 92 - HG2 GLU 64 lone 0 49 - 1 - Peak 3786 from cnoeabs.peaks (1.94, 2.09, 36.01 ppm; 2.77 A): 3 out of 45 assignments used, quality = 0.99: * HB3 GLU 69 + HG3 GLU 69 OK 89 100 - 89 - 3.0=80, 3780/1.8=17...(11) HB2 GLU 64 + HG2 GLU 64 OK 72 83 - 87 - 3.0=81, 3566/1.8=7...(13) HB3 GLU 64 + HG2 GLU 64 OK 71 81 - 87 - 3.0=81, 3566/1.8=7...(13) HB3 PRO 30 - HG3 GLU 69 OK 23 100 - 23 - 3780/1.8=5, 1.8/3787=3...(11) HB2 GLU 64 - HB ILE 63 OK 20 48 - 42 - 3546/4.4=5, ~7145=4...(19) HB3 GLU 64 - HB ILE 63 OK 20 47 - 42 - 3546/4.4=5, ~7145=4...(19) HB ILE 80 - HG3 GLU 69 OK 13 81 - 16 - 3780/1.8=3, 3.0/3787=2...(7) HB2 LEU 21 - HG3 GLU 69 poor 9 89 - 10 - 3.8/845=1, 3780/1.8=1 HB2 GLU 38 - HG2 GLU 64 lone 8 84 - 10 - HB2 GLU 64 - HG3 GLU 69 lone 8 99 - 8 - 3780/1.8=1 HB3 GLU 64 - HG3 GLU 69 lone 8 99 - 8 - 3780/1.8=1 HB2 GLU 38 - HB ILE 63 poor 7 50 - 14 - 7139/2.1=1, 2708=1...(4) HB3 GLU 69 - HG2 GLU 64 lone 7 85 - 8 - 3776=1 HB3 GLU 94 - HG2 GLU 64 lone 7 79 - 8 - 4528/1.8=1, 4525/3.9=1 HB3 GLU 69 - HB ILE 63 lone 5 50 - 9 - 3773/3.0=1, 3776=1 HB2 LEU 21 - HG2 GLU 64 lone 4 69 - 6 - HB2 LEU 21 - HB ILE 63 lone 4 39 - 10 - ~7154=1 HG LEU 58 - HG2 GLU 64 lone 4 78 - 5 - HG LEU 58 - HG3 GLU 69 lone 3 97 - 3 - HB2 GLU 38 - HG3 GLU 69 lone 3 100 - 3 - HB3 LYS 119 - HG3 GLU 69 lone 2 100 - 2 - HB3 GLU 94 - HB ILE 63 lone 2 46 - 4 - HB3 ARG 85 - HB ILE 63 lone 2 49 - 4 - HB2 ARG 85 - HB ILE 63 lone 2 49 - 4 - HB3 ARG 85 - HG2 GLU 64 lone 2 84 - 2 - HB2 ARG 85 - HG2 GLU 64 lone 2 84 - 2 - HB2 LYS 109 - HG3 GLU 69 lone 2 99 - 2 - HG LEU 45 - HG3 GLU 69 lone 2 63 - 3 - HB3 PRO 30 - HG2 GLU 64 lone 2 84 - 2 - HB3 GLU 94 - HG3 GLU 69 lone 2 97 - 2 - HB3 PRO 30 - HB ILE 63 lone 2 49 - 3 - HB3 ARG 85 - HG3 GLU 69 lone 2 100 - 1 - HB2 ARG 85 - HG3 GLU 69 lone 2 100 - 1 - HG LEU 58 - HB ILE 63 lone 2 45 - 3 - HB ILE 80 - HB ILE 63 lone 2 34 - 4 - HB3 LYS 119 - HB ILE 63 lone 1 50 - 2 - HB ILE 80 - HG2 GLU 64 lone 1 62 - 2 - HB2 LYS 109 - HG2 GLU 64 lone 1 83 - 1 - HB3 LYS 119 - HG2 GLU 64 lone 1 85 - 1 - HB3 MET 11 - HG3 GLU 69 lone 1 65 - 1 - HB2 LYS 109 - HB ILE 63 lone 1 48 - 1 - HB3 MET 11 - HG2 GLU 64 lone 0 49 - 1 - HG LEU 45 - HG2 GLU 64 lone 0 47 - 0 - HB3 MET 11 - HB ILE 63 lone 0 26 - 1 - HG LEU 45 - HB ILE 63 lone 0 25 - 1 - Peak 3787 from cnoeabs.peaks (2.15, 2.09, 36.01 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HG2 GLU 69 + HG3 GLU 69 OK 100 100 - 100 - 1.8=100 HB3 GLU 15 - HG3 GLU 69 OK 15 96 - 16 - 1918=2, ~1913=2...(7) HB2 PRO 30 - HG3 GLU 69 OK 15 95 - 16 - 3775/3.0=2, ~3780=2...(6) HG12 ILE 80 - HG3 GLU 69 OK 12 93 - 12 - 3775/3.0=2, 3769/3.0=1...(6) HB VAL 115 - HG3 GLU 69 lone 6 96 - 6 - HG2 GLU 69 - HG2 GLU 64 lone 5 85 - 6 - 3782=2 HB3 GLU 15 - HG2 GLU 64 lone 3 77 - 4 - HG2 GLU 69 - HB ILE 63 lone 3 50 - 5 - HB3 GLU 15 - HB ILE 63 lone 1 44 - 3 - HB2 PRO 30 - HG2 GLU 64 lone 1 76 - 1 - HG12 ILE 80 - HB ILE 63 lone 1 42 - 3 - HG12 ILE 80 - HG2 GLU 64 lone 1 74 - 1 - HB VAL 115 - HB ILE 63 lone 1 44 - 2 - HB2 PRO 30 - HB ILE 63 lone 1 43 - 2 - HB VAL 115 - HG2 GLU 64 lone 0 77 - 1 - Peak 3788 from cnoeabs.peaks (2.09, 2.09, 36.01 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 69 + HG3 GLU 69 OK 100 100 - 100 HG2 GLU 64 + HG2 GLU 64 OK 66 66 - 100 HB ILE 63 - HB ILE 63 OK 26 26 - 100 Peak 3789 from cnoeabs.peaks (4.48, 3.61, 49.41 ppm; 4.87 A): 4 out of 7 assignments used, quality = 1.00: * HA PRO 70 + HD2 PRO 70 OK 100 100 - 100 - 3.6=100 HA ARG 71 + HD2 PRO 70 OK 59 100 - 59 - ~5700=20, ~329=13...(8) HA LEU 101 + HD2 PRO 70 OK 57 99 - 58 - 3817/3.0=8, 3810/3.0=7...(16) HA PRO 60 + HD2 PRO 70 OK 50 90 - 55 - 3810/3.0=7, 3817/3.0=7...(19) HA PRO 30 - HD2 PRO 70 OK 13 87 - 15 - 2362/4.8=3, ~8325=2...(5) HA LEU 91 - HD2 PRO 70 lone 7 78 - 9 - ~7257=1, 3817/3.0=1...(4) HA SER 90 - HD2 PRO 70 lone 3 83 - 4 - Peak 3790 from cnoeabs.peaks (2.24, 3.61, 49.41 ppm; 4.78 A): 5 out of 14 assignments used, quality = 1.00: * HB2 PRO 70 + HD2 PRO 70 OK 100 100 - 100 - 3.0=100 HG3 GLU 15 + HD2 PRO 70 OK 69 99 - 70 - 1932/2.3=8, 1930/3.0=7...(24) HB2 PRO 68 + HD2 PRO 70 OK 67 97 - 69 - 3.9/7244=20, ~7225=18...(20) HB3 LEU 117 + HD2 PRO 70 OK 51 97 - 53 - 4.2/1785=6, 3.1/7262=5...(23) HG2 GLU 56 + HD2 PRO 70 OK 49 100 - 49 - 4.0/8322=8, 3.0/3793=5...(18) HG3 GLU 38 - HD2 PRO 70 OK 41 100 - 41 - 4.9/7275=5, 3832/2.3=3...(18) HG2 GLU 38 - HD2 PRO 70 OK 41 100 - 41 - 4.9/7275=5, 3832/2.3=3...(18) HB3 PRO 37 - HD2 PRO 70 OK 33 60 - 55 - ~8256=7, 2.3/3793=6...(25) HG3 GLU 64 - HD2 PRO 70 OK 13 99 - 13 - ~7248=2, 1.8/7249=2...(5) HG3 GLU 28 - HD2 PRO 70 OK 12 96 - 13 - 321/4.8=1, 4.0/8322=1 HG2 GLU 28 - HD2 PRO 70 OK 12 93 - 13 - 321/4.8=1, 4.0/8322=1 HG2 GLU 94 - HD2 PRO 70 lone 8 100 - 8 - HG3 GLU 94 - HD2 PRO 70 lone 4 71 - 6 - HB2 CYS 87 - HD2 PRO 70 lone 3 71 - 4 - Peak 3791 from cnoeabs.peaks (2.10, 3.61, 49.41 ppm; 4.05 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PRO 70 + HD2 PRO 70 OK 100 100 - 100 - 3.0=100 HG3 GLU 69 + HD2 PRO 70 OK 66 95 - 70 - 4.0/7265=15, ~7247=13...(17) HB2 GLU 15 + HD2 PRO 70 OK 58 89 - 66 - 1915/3.0=8, 1914/2.3=7...(32) HB2 LEU 101 + HD2 PRO 70 OK 57 100 - 57 - 3812/3.0=6, 3798/1.8=6...(21) HB2 LEU 114 - HD2 PRO 70 OK 32 78 - 40 - 1.8/6223=4, 6221=4...(19) HB2 GLN 105 - HD2 PRO 70 OK 20 65 - 31 - ~7252=3, ~8320=3...(16) HG LEU 21 - HD2 PRO 70 OK 19 81 - 23 - ~6417=3, ~5977=3...(8) HB3 GLN 16 - HD2 PRO 70 lone 6 73 - 8 - HB2 GLN 16 - HD2 PRO 70 lone 6 71 - 8 - Peak 3792 from cnoeabs.peaks (2.35, 3.61, 49.41 ppm; 4.00 A): 5 out of 10 assignments used, quality = 1.00: * HG2 PRO 70 + HD2 PRO 70 OK 100 100 - 100 - 2.3=100 HB2 GLU 82 + HD2 PRO 70 OK 58 98 - 60 - 3830/1.8=7, 3834/2.3=6...(31) HB3 GLU 82 + HD2 PRO 70 OK 58 98 - 60 - 3830/1.8=7, 3834/2.3=6...(31) HB VAL 18 + HD2 PRO 70 OK 53 98 - 54 - 1992/1.8=9, 3.0/3795=8...(17) HG2 GLU 15 + HD2 PRO 70 OK 48 85 - 57 - 1927/3.0=7, ~1932=5...(23) HB3 PRO 60 - HD2 PRO 70 OK 37 60 - 61 - 2.3/3793=6, 2.3/3789=4...(36) HB3 ASN 118 - HD2 PRO 70 OK 32 100 - 32 - 6247=9, 1.8/6245=6...(10) HB2 LEU 54 - HD2 PRO 70 OK 14 87 - 16 - 4.6/7275=3, 3799/1.8=1...(4) HB2 GLN 103 - HD2 PRO 70 OK 13 76 - 17 - ~4734=2, 3830/1.8=1...(9) HG2 MET 11 - HD2 PRO 70 lone 3 60 - 5 - Peak 3793 from cnoeabs.peaks (2.04, 3.61, 49.41 ppm; 3.86 A): 2 out of 8 assignments used, quality = 1.00: * HG3 PRO 70 + HD2 PRO 70 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HD2 PRO 70 OK 51 100 - 51 - 3814/3.0=6, 3800/1.8=6...(25) HG3 PRO 37 - HD2 PRO 70 OK 42 98 - 43 - 3800/1.8=5, ~8256=5...(20) HB2 GLU 56 - HD2 PRO 70 OK 39 100 - 39 - 3.0/8322=6, 3814/3.0=5...(18) HB3 GLU 38 - HD2 PRO 70 OK 23 85 - 27 - 4.4/7275=3, 3800/1.8=3...(11) HB ILE 63 - HD2 PRO 70 OK 19 76 - 24 - 3800/1.8=2, 3.2/7262=2...(11) HB3 ARG 53 - HD2 PRO 70 OK 12 83 - 14 - 3800/1.8=1, 3.0/8327=1...(5) HB3 ARG 81 - HD2 PRO 70 lone 8 97 - 8 - Peak 3794 from cnoeabs.peaks (3.61, 3.61, 49.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 70 + HD2 PRO 70 OK 100 100 - 100 Peak 3795 from cnoeabs.peaks (3.46, 3.61, 49.41 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 70 + HD2 PRO 70 OK 100 100 - 100 - 1.8=100 HA VAL 18 - HD2 PRO 70 OK 33 85 - 39 - 3837/2.3=5, 1988/2.3=4...(19) HB2 SER 44 - HD2 PRO 70 OK 22 100 - 22 - 3837/2.3=3, ~2875=3...(12) Peak 3796 from cnoeabs.peaks (4.48, 3.46, 49.41 ppm; 5.19 A): 4 out of 7 assignments used, quality = 1.00: * HA PRO 70 + HD3 PRO 70 OK 100 100 - 100 - 3.6=100 HA ARG 71 + HD3 PRO 70 OK 59 100 - 59 - ~5700=23, ~329=15...(7) HA LEU 101 + HD3 PRO 70 OK 54 99 - 55 - 4646/3.0=9, 3789/1.8=9...(13) HA PRO 60 + HD3 PRO 70 OK 53 90 - 58 - 3789/1.8=8, 3810/3.0=8...(19) HA PRO 30 - HD3 PRO 70 OK 12 87 - 14 - 2362/4.8=3, 2.3/8325=3...(6) HA LEU 91 - HD3 PRO 70 lone 6 78 - 8 - ~7257=1, 3817/3.0=1...(5) HA SER 90 - HD3 PRO 70 lone 3 83 - 3 - Peak 3797 from cnoeabs.peaks (2.24, 3.46, 49.41 ppm; 4.52 A): 3 out of 14 assignments used, quality = 1.00: * HB2 PRO 70 + HD3 PRO 70 OK 100 100 - 100 - 3.0=100 HB2 PRO 68 + HD3 PRO 70 OK 67 97 - 69 - 2.3/7225=21, 3.9/7243=19...(21) HG3 GLU 15 + HD3 PRO 70 OK 66 99 - 67 - 1932/2.3=8, 1930/3.0=7...(25) HB3 LEU 117 - HD3 PRO 70 OK 43 97 - 44 - 3.1/6906=6, ~7264=4...(21) HG2 GLU 56 - HD3 PRO 70 OK 41 100 - 41 - 3281/2.3=5, 3.0/3800=5...(17) HG3 GLU 38 - HD3 PRO 70 OK 35 100 - 35 - 3832/2.3=3, 3.0/8325=3...(17) HG2 GLU 38 - HD3 PRO 70 OK 35 100 - 35 - 3.0/8325=3, 3832/2.3=3...(17) HB3 PRO 37 - HD3 PRO 70 OK 31 60 - 52 - ~8256=6, 2.3/3800=6...(25) HG3 GLU 64 - HD3 PRO 70 OK 14 99 - 14 - 1.8/7248=3, 3.0/8325=1...(5) HG3 GLU 28 - HD3 PRO 70 OK 10 96 - 11 - 321/4.8=1 HG2 GLU 28 - HD3 PRO 70 poor 10 93 - 11 - 321/4.8=1 HG2 GLU 94 - HD3 PRO 70 lone 7 100 - 7 - HG3 GLU 94 - HD3 PRO 70 lone 4 71 - 5 - HB2 CYS 87 - HD3 PRO 70 lone 2 71 - 3 - Peak 3798 from cnoeabs.peaks (2.10, 3.46, 49.41 ppm; 4.06 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PRO 70 + HD3 PRO 70 OK 100 100 - 100 - 3.0=100 HG3 GLU 69 + HD3 PRO 70 OK 66 95 - 70 - 1.8/7247=17, 4.0/7266=16...(15) HB2 GLU 15 + HD3 PRO 70 OK 58 89 - 66 - 1915/3.0=8, 1914/2.3=7...(32) HB2 LEU 101 + HD3 PRO 70 OK 56 100 - 57 - 3812/3.0=6, 3791/1.8=6...(22) HB2 LEU 114 - HD3 PRO 70 OK 25 78 - 33 - 6221/1.8=4, ~6223=3...(16) HG LEU 21 - HD3 PRO 70 OK 20 81 - 25 - 4.7/1560=3, 3.0/5977=3...(8) HB2 GLN 105 - HD3 PRO 70 OK 18 65 - 28 - 1.8/7252=4, ~8320=3...(14) HB3 GLN 16 - HD3 PRO 70 lone 6 73 - 8 - HB2 GLN 16 - HD3 PRO 70 lone 6 71 - 8 - Peak 3799 from cnoeabs.peaks (2.35, 3.46, 49.41 ppm; 3.86 A): 5 out of 10 assignments used, quality = 1.00: * HG2 PRO 70 + HD3 PRO 70 OK 100 100 - 100 - 2.3=100 HB2 GLU 82 + HD3 PRO 70 OK 56 98 - 57 - 3830=8, 1.8/3830=6...(29) HB3 GLU 82 + HD3 PRO 70 OK 56 98 - 57 - 3830=8, 1.8/3830=6...(29) HB VAL 18 + HD3 PRO 70 OK 56 98 - 57 - 1992=9, 2.1/1997=7...(20) HG2 GLU 15 + HD3 PRO 70 OK 46 85 - 55 - 1927/3.0=7, 3834/2.3=5...(23) HB3 PRO 60 - HD3 PRO 70 OK 35 60 - 58 - 2.3/3800=6, ~3793=4...(34) HB3 ASN 118 - HD3 PRO 70 OK 22 100 - 22 - 6247/1.8=7, ~6245=4...(7) HB2 LEU 54 - HD3 PRO 70 OK 12 87 - 14 - 4.6/7278=4, 3792/1.8=1...(4) HB2 GLN 103 - HD3 PRO 70 OK 12 76 - 16 - 3830=2, ~4734=2...(7) HG2 MET 11 - HD3 PRO 70 lone 3 60 - 5 - Peak 3800 from cnoeabs.peaks (2.04, 3.46, 49.41 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * HG3 PRO 70 + HD3 PRO 70 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HD3 PRO 70 OK 51 100 - 52 - 3814/3.0=7, 3793/1.8=7...(25) HG3 PRO 37 - HD3 PRO 70 OK 42 98 - 43 - 3793/1.8=5, ~8256=5...(20) HB2 GLU 56 - HD3 PRO 70 OK 38 100 - 38 - 3814/3.0=5, 3793/1.8=5...(18) HB3 GLU 38 - HD3 PRO 70 OK 21 85 - 25 - 1.8/8325=3, 3793/1.8=3...(10) HB ILE 63 - HD3 PRO 70 OK 19 76 - 24 - 3793/1.8=2, 3.0/8326=2...(12) HB3 ARG 53 - HD3 PRO 70 OK 12 83 - 14 - 3793/1.8=2, 3.0/8326=1...(5) HB3 ARG 81 - HD3 PRO 70 lone 7 97 - 7 - 3793/1.8=1 Peak 3801 from cnoeabs.peaks (3.61, 3.46, 49.41 ppm; 3.07 A): 1 out of 8 assignments used, quality = 1.00: * HD2 PRO 70 + HD3 PRO 70 OK 100 100 - 100 - 1.8=100 HA VAL 115 - HD3 PRO 70 OK 27 99 - 27 - 6246/2.3=5, 3836/2.3=3...(14) HA2 GLY 39 - HD3 PRO 70 OK 25 99 - 25 - 3836/2.3=3, ~2733=3...(11) HA GLU 75 - HD3 PRO 70 OK 23 68 - 34 - 3836/2.3=3, ~7304=3...(20) HA LEU 111 - HD3 PRO 70 OK 10 100 - 10 - 6220/3.0=1, 3836/2.3=1 HA ILE 80 - HD3 PRO 70 lone 7 71 - 9 - 3.0/8325=1 HA2 GLY 48 - HD3 PRO 70 lone 5 60 - 8 - 3.6/7277=2, 8277/4.8=1 HA LYS 46 - HD3 PRO 70 lone 4 68 - 6 - Peak 3802 from cnoeabs.peaks (3.46, 3.46, 49.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 70 + HD3 PRO 70 OK 100 100 - 100 Peak 3803 from cnoeabs.peaks (4.48, 4.48, 62.99 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA PRO 70 + HA PRO 70 OK 100 100 - 100 HA PRO 60 - HA PRO 60 OK 37 37 - 100 Peak 3804 from cnoeabs.peaks (2.24, 4.48, 62.99 ppm; 4.09 A): 2 out of 28 assignments used, quality = 1.00: * HB2 PRO 70 + HA PRO 70 OK 100 100 - 100 - 2.3=100 HG3 GLU 15 + HA PRO 70 OK 50 99 - 51 - 1930/2.3=7, ~1927=7...(16) HG2 GLU 56 - HA PRO 70 OK 35 100 - 35 - 4.0/7024=6, ~3289=4...(14) HB2 PRO 68 - HA PRO 70 OK 28 97 - 29 - 3818/2.3=5, ~3739=3...(11) HB3 LEU 117 - HA PRO 70 OK 28 97 - 29 - 3818/2.3=4, ~5140=3...(14) HB2 PRO 70 - HA PRO 60 OK 26 46 - 57 - 3810=8, 1.8/3817=7...(25) HG2 GLU 56 - HA PRO 60 OK 26 46 - 56 - 4.0/7024=13, 3284/2.3=12...(17) HG3 GLU 38 - HA PRO 70 OK 20 100 - 20 - 3818/2.3=3, 3832/3.8=2...(10) HG2 GLU 38 - HA PRO 70 OK 20 100 - 20 - 3818/2.3=3, 3832/3.8=2...(10) HB3 PRO 37 - HA PRO 70 OK 17 60 - 28 - ~3821=3, ~3814=3...(16) HB3 PRO 37 - HA PRO 60 OK 11 22 - 52 - 2.3/3473=6, 1.8/3452=5...(22) HB2 PRO 68 - HA PRO 60 poor 8 43 - 18 - ~3462=3, 2.3/3466=3...(6) HG3 GLU 64 - HA PRO 70 lone 5 99 - 5 - HG3 GLU 28 - HA PRO 70 lone 5 96 - 5 - HG2 GLU 28 - HA PRO 70 lone 4 93 - 5 - HG2 GLU 94 - HA PRO 70 lone 4 100 - 4 - HG3 GLU 94 - HA PRO 70 lone 2 71 - 3 - HB3 LEU 117 - HA PRO 60 lone 2 42 - 6 - ~6258=2 HG3 GLU 38 - HA PRO 60 lone 2 46 - 5 - HG2 GLU 38 - HA PRO 60 lone 2 46 - 5 - HG3 GLU 15 - HA PRO 60 lone 2 45 - 5 - HB2 CYS 87 - HA PRO 70 lone 2 71 - 3 - HG2 GLU 94 - HA PRO 60 lone 1 45 - 2 - HG3 GLU 64 - HA PRO 60 lone 1 45 - 1 - HG3 GLU 28 - HA PRO 60 lone 1 41 - 2 - HG2 GLU 28 - HA PRO 60 lone 1 39 - 1 - HG3 GLU 94 - HA PRO 60 lone 0 27 - 1 - HB2 CYS 87 - HA PRO 60 lone 0 27 - 1 - Peak 3805 from cnoeabs.peaks (2.10, 4.48, 62.99 ppm; 3.89 A): 3 out of 18 assignments used, quality = 1.00: * HB3 PRO 70 + HA PRO 70 OK 100 100 - 100 - 2.3=100 HB2 LEU 101 + HA PRO 70 OK 59 100 - 59 - 3812/2.3=7, 4652=6...(22) HB2 GLU 15 + HA PRO 70 OK 45 89 - 52 - 1915/2.3=9, ~1921=6...(20) HG3 GLU 69 - HA PRO 70 OK 35 95 - 37 - 3784/4.8=9, 7248/3.6=7...(11) HB3 PRO 70 - HA PRO 60 OK 24 46 - 53 - 3817=8, 1.8/3810=7...(24) HB2 LEU 114 - HA PRO 70 OK 17 78 - 22 - 6221/3.6=3, 3812/2.3=2...(11) HB2 GLN 105 - HA PRO 70 OK 12 65 - 18 - ~8320=4, ~8319=2...(9) HG LEU 21 - HA PRO 70 poor 9 81 - 12 - 3798/3.6=1, 3812/2.3=1...(4) HB3 GLN 16 - HA PRO 70 lone 4 73 - 6 - HB2 GLN 16 - HA PRO 70 lone 4 71 - 5 - HB2 LEU 101 - HA PRO 60 lone 3 46 - 5 - HB2 GLU 15 - HA PRO 60 lone 2 36 - 5 - HB3 GLN 16 - HA PRO 60 lone 1 28 - 4 - HB2 GLN 16 - HA PRO 60 lone 1 27 - 4 - HB2 LEU 114 - HA PRO 60 lone 1 30 - 3 - HG3 GLU 69 - HA PRO 60 lone 1 40 - 2 - HB2 GLN 105 - HA PRO 60 lone 1 24 - 2 - HG LEU 21 - HA PRO 60 lone 0 32 - 1 - Peak 3806 from cnoeabs.peaks (2.35, 4.48, 62.99 ppm; 4.00 A): 1 out of 20 assignments used, quality = 1.00: * HG2 PRO 70 + HA PRO 70 OK 100 100 - 100 - 3.8=100 HG2 GLU 15 - HA PRO 70 OK 37 85 - 44 - 1927/2.3=8, 1924/2.3=5...(13) HB3 GLU 82 - HA PRO 70 OK 35 98 - 36 - 3813/2.3=5, 3820/2.3=5...(11) HB2 GLU 82 - HA PRO 70 OK 35 98 - 36 - 3813/2.3=5, 3820/2.3=5...(11) HB3 PRO 60 - HA PRO 70 OK 32 60 - 54 - 1.8/3452=7, 2.3/3473=6...(21) HB VAL 18 - HA PRO 70 OK 32 98 - 33 - 1992/3.6=6, 3.0/3809=5...(9) HB3 PRO 60 - HA PRO 60 OK 22 22 - 100 - 2.3=100 HG2 PRO 70 - HA PRO 60 OK 21 46 - 45 - 2.3/3810=6, 2.3/3817=6...(18) HB3 ASN 118 - HA PRO 70 OK 13 100 - 13 - 6247/3.6=5, 3813/2.3=2...(5) HB2 LEU 54 - HA PRO 60 OK 10 35 - 29 - 6053/3.6=5, ~3193=5...(11) HB2 GLN 103 - HA PRO 70 poor 8 76 - 11 - 4.0/1735=2, 4.4/8568=2...(4) HB3 ASN 118 - HA PRO 60 poor 5 46 - 12 - 5185/3.6=4, ~3464=2...(5) HB2 LEU 54 - HA PRO 70 lone 5 87 - 6 - HB3 GLU 82 - HA PRO 60 lone 4 43 - 9 - HB2 GLU 82 - HA PRO 60 lone 4 43 - 9 - HB VAL 18 - HA PRO 60 lone 2 43 - 5 - ~8400=1 HG2 MET 11 - HA PRO 70 lone 2 60 - 3 - HG2 GLU 15 - HA PRO 60 lone 1 34 - 4 - HB2 GLN 103 - HA PRO 60 lone 1 29 - 3 - HG2 MET 11 - HA PRO 60 lone 0 22 - 2 - Peak 3807 from cnoeabs.peaks (2.04, 4.48, 62.99 ppm; 4.24 A): 3 out of 16 assignments used, quality = 1.00: * HG3 PRO 70 + HA PRO 70 OK 100 100 - 100 - 3.8=100 HG3 PRO 60 + HA PRO 70 OK 60 100 - 60 - 3814/2.3=8, 3821/2.3=8...(16) HG3 PRO 60 + HA PRO 60 OK 45 45 - 100 - 3.8=100 HB2 GLU 56 - HA PRO 70 OK 42 100 - 42 - 3.0/7024=8, 3814/2.3=6...(13) HG3 PRO 37 - HA PRO 70 OK 36 98 - 37 - 3821/2.3=6, 3814/2.3=6...(14) HB2 GLU 56 - HA PRO 60 OK 30 46 - 65 - 3.0/7024=18, 3272/2.3=8...(19) HG3 PRO 37 - HA PRO 60 OK 26 43 - 60 - 3478/3.6=8, 3473=8...(19) HG3 PRO 70 - HA PRO 60 OK 24 46 - 52 - 2.3/3810=7, 2.3/3817=6...(19) HB3 GLU 38 - HA PRO 70 OK 18 85 - 21 - 3821/2.3=3, 3814/2.3=3...(13) HB ILE 63 - HA PRO 70 OK 11 76 - 15 - 3814/2.3=2, 3821/2.3=2...(6) HB3 ARG 53 - HA PRO 70 poor 10 83 - 12 - 331/3.5=2, 3814/2.3=2...(5) HB3 ARG 81 - HA PRO 70 lone 8 97 - 8 - 331/3.5=2, 3814/2.3=1 HB ILE 63 - HA PRO 60 poor 8 29 - 27 - 282/3.5=4, ~7141=3...(15) HB3 ARG 53 - HA PRO 60 poor 5 33 - 15 - ~6068=2, ~3134=2...(6) HB3 ARG 81 - HA PRO 60 lone 3 42 - 8 - 282/3.5=1, 3272/2.3=1 HB3 GLU 38 - HA PRO 60 lone 3 34 - 8 - ~6710=1 Peak 3808 from cnoeabs.peaks (3.61, 4.48, 62.99 ppm; 5.00 A): 2 out of 16 assignments used, quality = 1.00: * HD2 PRO 70 + HA PRO 70 OK 100 100 - 100 - 3.6=100 HA GLU 75 + HA PRO 70 OK 48 68 - 71 - ~7304=12, 3.0/7319=11...(17) HA2 GLY 39 - HA PRO 70 OK 38 99 - 38 - 3822/2.3=7, 3815/2.3=7...(10) HA VAL 115 - HA PRO 70 OK 37 99 - 37 - 6246/3.8=9, 3822/2.3=7...(8) HD2 PRO 70 - HA PRO 60 OK 27 46 - 58 - 3789=9, 3.0/3810=7...(19) HA LEU 111 - HA PRO 70 OK 16 100 - 16 - 6220/2.3=4, 3815/2.3=3...(5) HA ILE 80 - HA PRO 70 OK 11 71 - 15 - ~8514=2, 3822/2.3=2...(6) HA LYS 46 - HA PRO 70 lone 6 68 - 9 - 3822/2.3=1, 6874/4.8=1 HA2 GLY 48 - HA PRO 70 lone 5 60 - 8 - 7246/4.8=2, 3801/3.6=1 HA GLU 75 - HA PRO 60 poor 3 25 - 14 - 3.0/7318=3, ~3964=2...(5) HA LEU 111 - HA PRO 60 lone 2 46 - 4 - HA VAL 115 - HA PRO 60 lone 2 45 - 3 - HA2 GLY 39 - HA PRO 60 lone 1 45 - 3 - HA LYS 46 - HA PRO 60 lone 1 25 - 3 - HA ILE 80 - HA PRO 60 lone 1 27 - 2 - HA2 GLY 48 - HA PRO 60 lone 0 22 - 2 - Peak 3809 from cnoeabs.peaks (3.46, 4.48, 62.99 ppm; 4.78 A): 1 out of 6 assignments used, quality = 1.00: * HD3 PRO 70 + HA PRO 70 OK 100 100 - 100 - 3.6=100 HA VAL 18 - HA PRO 70 OK 41 85 - 49 - 3816/2.3=11, 3823/2.3=11...(10) HB2 SER 44 - HA PRO 70 OK 29 100 - 28 - 3823/2.3=7, 3816/2.3=7...(6) HD3 PRO 70 - HA PRO 60 OK 25 46 - 54 - 3796=7, 3.0/3810=7...(18) HA VAL 18 - HA PRO 60 lone 2 34 - 7 - ~8400=1 HB2 SER 44 - HA PRO 60 lone 1 46 - 3 - Peak 3810 from cnoeabs.peaks (4.48, 2.24, 33.65 ppm; 3.67 A): 2 out of 7 assignments used, quality = 1.00: * HA PRO 70 + HB2 PRO 70 OK 100 100 - 100 - 2.3=100 HA ARG 71 + HB2 PRO 70 OK 55 100 - 55 - 327/3.9=12, ~5700=11...(13) HA LEU 101 - HB2 PRO 70 OK 43 99 - 44 - 3817/1.8=7, 3.0/7253=5...(18) HA PRO 60 - HB2 PRO 70 OK 43 90 - 48 - 3817/1.8=6, 3.8/3814=5...(23) HA PRO 30 - HB2 PRO 70 poor 9 87 - 10 - 327/3.9=2, 3817/1.8=1 HA LEU 91 - HB2 PRO 70 lone 6 78 - 8 - 3.0/7253=1 HA SER 90 - HB2 PRO 70 lone 3 83 - 3 - Peak 3811 from cnoeabs.peaks (2.24, 2.24, 33.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 70 + HB2 PRO 70 OK 100 100 - 100 Peak 3812 from cnoeabs.peaks (2.10, 2.24, 33.65 ppm; 2.87 A): 1 out of 9 assignments used, quality = 1.00: * HB3 PRO 70 + HB2 PRO 70 OK 100 100 - 100 - 1.8=100 HB2 GLU 15 - HB2 PRO 70 OK 44 89 - 50 - 1915=9, 1.8/1921=6...(22) HB2 LEU 101 - HB2 PRO 70 OK 38 100 - 38 - 3833/2.3=4, 3805/2.3=3...(19) HG3 GLU 69 - HB2 PRO 70 OK 28 95 - 30 - ~7247=4, 7248/3.0=4...(14) HB2 LEU 114 - HB2 PRO 70 OK 14 78 - 18 - 3.0/6239=2, 3833/2.3=1...(7) HB2 GLN 105 - HB2 PRO 70 poor 10 65 - 15 - 3.0/8320=3, ~8319=1...(4) HG LEU 21 - HB2 PRO 70 lone 7 81 - 9 - HB3 GLN 16 - HB2 PRO 70 lone 4 73 - 6 - 4.0/33=2 HB2 GLN 16 - HB2 PRO 70 lone 4 71 - 6 - 4.0/33=2 Peak 3813 from cnoeabs.peaks (2.35, 2.24, 33.65 ppm; 3.07 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 70 + HB2 PRO 70 OK 100 100 - 100 - 2.3=100 HG2 GLU 15 - HB2 PRO 70 OK 42 85 - 49 - 1927=8, 3.0/1915=6...(26) HB2 GLU 82 - HB2 PRO 70 OK 40 98 - 41 - 3834/2.3=4, 3820/1.8=3...(18) HB3 GLU 82 - HB2 PRO 70 OK 40 98 - 41 - 3834/2.3=4, 3820/1.8=3...(18) HB VAL 18 - HB2 PRO 70 OK 34 98 - 35 - 1992/3.0=4, 3.0/3816=4...(18) HB3 PRO 60 - HB2 PRO 70 OK 30 60 - 50 - 2.3/3814=5, 2.3/3810=4...(31) HB3 ASN 118 - HB2 PRO 70 OK 15 100 - 15 - 6247/3.0=3, ~6245=2...(8) HB2 GLN 103 - HB2 PRO 70 lone 8 76 - 10 - HB2 LEU 54 - HB2 PRO 70 lone 6 87 - 7 - HG2 MET 11 - HB2 PRO 70 lone 2 60 - 4 - 4.0/8320=1 Peak 3814 from cnoeabs.peaks (2.04, 2.24, 33.65 ppm; 3.34 A): 2 out of 8 assignments used, quality = 1.00: * HG3 PRO 70 + HB2 PRO 70 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HB2 PRO 70 OK 55 100 - 55 - 3821/1.8=6, 3473/2.3=4...(30) HB2 GLU 56 - HB2 PRO 70 OK 42 100 - 42 - 3821/1.8=4, 3271=4...(21) HG3 PRO 37 - HB2 PRO 70 OK 38 98 - 39 - 3821/1.8=5, ~8256=4...(20) HB3 GLU 38 - HB2 PRO 70 OK 18 85 - 22 - 3821/1.8=2, 3793/3.0=2...(9) HB ILE 63 - HB2 PRO 70 OK 14 76 - 19 - 3821/1.8=2, 3793/3.0=1...(5) HB3 ARG 53 - HB2 PRO 70 poor 10 83 - 12 - 3821/1.8=1, 331/3.9=1 HB3 ARG 81 - HB2 PRO 70 lone 7 97 - 7 - 331/3.9=1 Peak 3815 from cnoeabs.peaks (3.61, 2.24, 33.65 ppm; 4.43 A): 4 out of 8 assignments used, quality = 1.00: * HD2 PRO 70 + HB2 PRO 70 OK 100 100 - 100 - 3.0=100 HA GLU 75 + HB2 PRO 70 OK 50 68 - 74 - 3.6/8318=12, 2.9/7305=10...(21) HA2 GLY 39 + HB2 PRO 70 OK 48 99 - 48 - 3836/2.3=6, 3822/1.8=6...(17) HA VAL 115 + HB2 PRO 70 OK 46 99 - 47 - 6246/2.3=10, 3836/2.3=6...(16) HA LEU 111 - HB2 PRO 70 OK 22 100 - 22 - 6220/1.8=4, 3836/2.3=2...(9) HA ILE 80 - HB2 PRO 70 OK 14 71 - 20 - 4.0/7254=3, ~8514=2...(11) HA LYS 46 - HB2 PRO 70 lone 7 68 - 10 - 3822/1.8=1 HA2 GLY 48 - HB2 PRO 70 poor 6 60 - 11 - ~986=1, ~3025=1, 3801/3.0=1 Peak 3816 from cnoeabs.peaks (3.46, 2.24, 33.65 ppm; 4.58 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 70 + HB2 PRO 70 OK 100 100 - 100 - 3.0=100 HA VAL 18 + HB2 PRO 70 OK 55 85 - 65 - 3837/2.3=11, 3823/1.8=11...(20) HB2 SER 44 - HB2 PRO 70 OK 34 100 - 34 - 3823/1.8=7, 3837/2.3=7...(8) Peak 3817 from cnoeabs.peaks (4.48, 2.10, 33.65 ppm; 3.73 A): 3 out of 7 assignments used, quality = 1.00: * HA PRO 70 + HB3 PRO 70 OK 100 100 - 100 - 2.3=100 HA ARG 71 + HB3 PRO 70 OK 54 100 - 54 - 3.0/329=16, ~5700=11...(13) HA LEU 101 + HB3 PRO 70 OK 52 99 - 53 - 4646=7, 3.0/7257=6...(22) HA PRO 60 - HB3 PRO 70 OK 43 90 - 48 - 3810/1.8=6, 3.8/3821=5...(23) HA PRO 30 - HB3 PRO 70 OK 10 87 - 12 - 327/3.9=2, 3810/1.8=1 HA LEU 91 - HB3 PRO 70 lone 7 78 - 9 - 3.0/7257=1 HA SER 90 - HB3 PRO 70 lone 3 83 - 3 - Peak 3818 from cnoeabs.peaks (2.24, 2.10, 33.65 ppm; 3.04 A): 2 out of 14 assignments used, quality = 1.00: * HB2 PRO 70 + HB3 PRO 70 OK 100 100 - 100 - 1.8=100 HG3 GLU 15 + HB3 PRO 70 OK 47 99 - 48 - 1930=7, 1932/2.3=5...(26) HB2 PRO 68 - HB3 PRO 70 OK 32 97 - 33 - ~7225=5, ~7224=3...(12) HG2 GLU 56 - HB3 PRO 70 OK 25 100 - 25 - 3.0/3821=3, 3281/2.3=3...(11) HB3 LEU 117 - HB3 PRO 70 OK 24 97 - 25 - 3832/2.3=2, ~5140=2...(14) HG3 GLU 38 - HB3 PRO 70 OK 20 100 - 20 - 3832/2.3=2, 4.9/7267=2...(6) HG2 GLU 38 - HB3 PRO 70 OK 20 100 - 20 - 3832/2.3=2, 4.9/7267=2...(6) HB3 PRO 37 - HB3 PRO 70 OK 18 60 - 31 - 2.3/3821=3, ~8256=2...(10) HG3 GLU 64 - HB3 PRO 70 lone 5 99 - 5 - HG3 GLU 28 - HB3 PRO 70 lone 4 96 - 4 - HG2 GLU 28 - HB3 PRO 70 lone 4 93 - 4 - HG2 GLU 94 - HB3 PRO 70 lone 3 100 - 3 - HG3 GLU 94 - HB3 PRO 70 lone 2 71 - 3 - HB2 CYS 87 - HB3 PRO 70 lone 1 71 - 2 - Peak 3819 from cnoeabs.peaks (2.10, 2.10, 33.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 70 + HB3 PRO 70 OK 100 100 - 100 Peak 3820 from cnoeabs.peaks (2.35, 2.10, 33.65 ppm; 3.76 A): 5 out of 10 assignments used, quality = 1.00: * HG2 PRO 70 + HB3 PRO 70 OK 100 100 - 100 - 2.3=100 HB2 GLU 82 + HB3 PRO 70 OK 56 98 - 57 - 3813/1.8=6, 3834/2.3=5...(29) HB3 GLU 82 + HB3 PRO 70 OK 56 98 - 57 - 3813/1.8=6, 3834/2.3=5...(29) HG2 GLU 15 + HB3 PRO 70 OK 51 85 - 61 - 1927/1.8=8, 1.8/3818=7...(26) HB VAL 18 + HB3 PRO 70 OK 48 98 - 49 - 1992/3.0=6, 3.0/3823=6...(18) HB3 PRO 60 - HB3 PRO 70 OK 40 60 - 67 - 2.3/3821=7, 2.3/3817=5...(43) HB3 ASN 118 - HB3 PRO 70 OK 20 100 - 20 - 6247/3.0=5, ~6245=3...(8) HB2 GLN 103 - HB3 PRO 70 OK 12 76 - 16 - ~4734=1, 3826=1...(5) HB2 LEU 54 - HB3 PRO 70 OK 11 87 - 12 - 4.6/7267=2, 3834/2.3=1, ~3193=1 HG2 MET 11 - HB3 PRO 70 lone 6 60 - 10 - 5.0/6283=4, 4.0/8319=2 Peak 3821 from cnoeabs.peaks (2.04, 2.10, 33.65 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * HG3 PRO 70 + HB3 PRO 70 OK 100 100 - 100 - 2.3=100 HG3 PRO 60 + HB3 PRO 70 OK 59 100 - 59 - 3814/1.8=8, 3473/2.3=5...(33) HG3 PRO 37 - HB3 PRO 70 OK 42 98 - 43 - 3814/1.8=5, ~8256=4...(19) HB2 GLU 56 - HB3 PRO 70 OK 40 100 - 40 - 3814/1.8=6, ~7024=3...(19) HB3 GLU 38 - HB3 PRO 70 OK 22 85 - 26 - 4.4/7267=3, 3814/1.8=3...(11) HB ILE 63 - HB3 PRO 70 OK 15 76 - 20 - 3814/1.8=2, 3793/3.0=2...(6) HB3 ARG 53 - HB3 PRO 70 OK 11 83 - 13 - 3814/1.8=1, 331/3.9=1...(4) HB3 ARG 81 - HB3 PRO 70 lone 7 97 - 7 - 331/3.9=1, 3814/1.8=1 Peak 3822 from cnoeabs.peaks (3.61, 2.10, 33.65 ppm; 4.42 A): 4 out of 8 assignments used, quality = 1.00: * HD2 PRO 70 + HB3 PRO 70 OK 100 100 - 100 - 3.0=100 HA GLU 75 + HB3 PRO 70 OK 49 68 - 73 - 2.9/7304=13, 3.0/7257=9...(22) HA2 GLY 39 + HB3 PRO 70 OK 49 99 - 49 - 2.9/7267=7, 3836/2.3=6...(17) HA VAL 115 + HB3 PRO 70 OK 47 99 - 47 - 6246/2.3=10, 3836/2.3=6...(15) HA LEU 111 - HB3 PRO 70 OK 23 100 - 22 - 6220=3, 3815/1.8=3...(9) HA ILE 80 - HB3 PRO 70 OK 14 71 - 20 - 3.2/8514=3, 3815/1.8=2...(9) HA LYS 46 - HB3 PRO 70 poor 8 68 - 11 - HA2 GLY 48 - HB3 PRO 70 poor 6 60 - 10 - ~986=1, ~3025=1, 3801/3.0=1 Peak 3823 from cnoeabs.peaks (3.46, 2.10, 33.65 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 70 + HB3 PRO 70 OK 100 100 - 100 - 3.0=100 HA VAL 18 + HB3 PRO 70 OK 60 85 - 70 - 3816/1.8=12, 3837/2.3=12...(21) HB2 SER 44 - HB3 PRO 70 OK 37 100 - 37 - 3816/1.8=8, 3837/2.3=7...(8) Peak 3824 from cnoeabs.peaks (4.48, 2.35, 28.63 ppm; 4.24 A): 3 out of 28 assignments used, quality = 1.00: * HA PRO 70 + HG2 PRO 70 OK 100 100 - 100 - 3.8=100 HA ARG 71 + HG2 PRO 70 OK 51 100 - 51 - ~5700=17, ~329=11...(8) HA LEU 101 + HG2 PRO 70 OK 45 99 - 46 - 3817/2.3=8, 3810/2.3=7...(13) HA PRO 60 - HG2 PRO 70 OK 44 90 - 49 - 3810/2.3=7, 3817/2.3=6...(20) HA PRO 70 - HB2 GLU 82 OK 38 98 - 39 - 2.3/3813=6, 2.3/3820=6...(11) HA PRO 70 - HB3 GLU 82 OK 38 98 - 39 - 2.3/3813=6, 2.3/3820=6...(11) HA LEU 101 - HB2 GLN 103 OK 15 72 - 22 - 1735/4.0=11, 8568/4.4=10 HA PRO 60 - HB2 GLU 82 poor 9 86 - 11 - HA PRO 60 - HB3 GLU 82 poor 9 86 - 11 - HA PRO 70 - HB2 GLN 103 poor 9 75 - 12 - 1735/4.0=3, 8568/4.4=2...(6) HA PRO 30 - HG2 PRO 70 lone 7 87 - 8 - 3817/2.3=2, 3810/2.3=1...(5) HA LEU 91 - HG2 PRO 70 lone 5 78 - 7 - 3817/2.3=1, 3810/2.3=1 HA ARG 71 - HB2 GLN 103 lone 5 75 - 7 - 8568/4.4=2, 1735/4.0=2 HA PRO 30 - HB2 GLN 103 lone 5 59 - 8 - 8568/4.4=5, 1735/4.0=3 HA LEU 101 - HB3 GLU 82 lone 4 96 - 4 - HA LEU 101 - HB2 GLU 82 lone 4 96 - 4 - HA ARG 71 - HB3 GLU 82 lone 3 98 - 3 - HA ARG 71 - HB2 GLU 82 lone 3 98 - 3 - HA PRO 60 - HB2 GLN 103 lone 2 62 - 4 - HA SER 90 - HG2 PRO 70 lone 2 83 - 2 - HA PRO 30 - HB2 GLU 82 lone 2 82 - 2 - HA PRO 30 - HB3 GLU 82 lone 2 82 - 2 - HA LEU 91 - HB2 GLN 103 lone 2 51 - 3 - 8568/4.4=1, 1735/4.0=1 HA SER 90 - HB2 GLN 103 lone 1 55 - 2 - HA LEU 91 - HB2 GLU 82 lone 1 74 - 2 - HA LEU 91 - HB3 GLU 82 lone 1 74 - 2 - HA SER 90 - HB2 GLU 82 lone 1 78 - 1 - HA SER 90 - HB3 GLU 82 lone 1 78 - 1 - Peak 3825 from cnoeabs.peaks (2.24, 2.35, 28.63 ppm; 3.47 A): 4 out of 56 assignments used, quality = 1.00: * HB2 PRO 70 + HG2 PRO 70 OK 100 100 - 100 - 2.3=100 HG3 GLU 15 + HG2 PRO 70 OK 54 99 - 55 - 1932=7, 1930/2.3=6...(24) HB2 PRO 70 + HB3 GLU 82 OK 51 98 - 52 - 3813=6, 3813/1.8=5...(28) HB2 PRO 70 + HB2 GLU 82 OK 51 98 - 52 - 3813=6, 3813/1.8=5...(28) HB2 PRO 68 - HG2 PRO 70 OK 39 97 - 40 - ~7225=8, ~7224=6...(15) HB3 LEU 117 - HG2 PRO 70 OK 31 97 - 33 - 3832/1.8=3, 3818/2.3=3...(20) HG2 GLU 56 - HG2 PRO 70 OK 29 100 - 29 - 3281/1.8=4, 3818/2.3=3...(16) HG3 GLU 38 - HG2 PRO 70 OK 25 100 - 25 - 3832/1.8=3, 3818/2.3=2...(12) HG2 GLU 38 - HG2 PRO 70 OK 25 100 - 25 - 3832/1.8=3, 3818/2.3=2...(12) HB3 PRO 37 - HG2 PRO 70 OK 24 60 - 39 - 1.8/8255=5, 2.3/8256=5...(18) HG3 GLU 15 - HB2 GLU 82 OK 12 96 - 13 - 5448/3.7=3, 1932/1.8=1 HG3 GLU 15 - HB3 GLU 82 OK 12 96 - 13 - 5448/3.7=3, 1932/1.8=1 HB2 PRO 70 - HB2 GLN 103 OK 10 75 - 13 - 3813=1, ~4734=1 HG2 GLU 56 - HB3 GLU 82 poor 10 98 - 10 - 3284/1.8=1 HG2 GLU 56 - HB2 GLU 82 poor 10 98 - 10 - 3284/1.8=1 HG2 GLU 94 - HB2 GLN 103 poor 8 74 - 11 - HG3 GLU 64 - HG2 PRO 70 lone 6 99 - 6 - ~7248=1 HG3 GLU 15 - HB2 GLN 103 lone 6 72 - 8 - ~4734=1, 1932=1, ~4718=1 HG3 GLU 64 - HB3 GLU 82 lone 6 96 - 6 - ~8516=2, ~8515=2 HG3 GLU 64 - HB2 GLU 82 lone 6 96 - 6 - ~8516=2, ~8515=2 HG3 GLU 28 - HG2 PRO 70 lone 5 96 - 5 - HG2 GLU 28 - HG2 PRO 70 lone 5 93 - 5 - HG3 GLU 94 - HB2 GLN 103 poor 5 46 - 11 - HG2 GLU 94 - HG2 PRO 70 lone 4 100 - 4 - HG3 GLU 38 - HB2 GLU 82 lone 4 98 - 4 - HG3 GLU 38 - HB3 GLU 82 lone 4 98 - 4 - HG2 GLU 38 - HB3 GLU 82 lone 4 97 - 4 - HG2 GLU 38 - HB2 GLU 82 lone 4 97 - 4 - HB3 PRO 37 - HB3 GLU 82 lone 3 56 - 6 - HB3 PRO 37 - HB2 GLU 82 lone 3 56 - 6 - HB3 LEU 117 - HB3 GLU 82 lone 3 93 - 3 - HB3 LEU 117 - HB2 GLU 82 lone 3 93 - 3 - HB2 CYS 87 - HB3 GLU 82 lone 3 67 - 4 - 5779/4.3=2 HB2 CYS 87 - HB2 GLU 82 lone 3 67 - 4 - 5779/4.3=2 HB3 LEU 117 - HB2 GLN 103 lone 3 69 - 4 - HG3 GLU 94 - HG2 PRO 70 lone 3 71 - 3 - HB2 PRO 68 - HB2 GLN 103 lone 2 70 - 3 - HG2 GLU 94 - HB2 GLU 82 lone 2 97 - 2 - HG2 GLU 94 - HB3 GLU 82 lone 2 97 - 2 - HG3 GLU 64 - HB2 GLN 103 lone 2 72 - 3 - HB2 PRO 68 - HB2 GLU 82 lone 2 94 - 2 - HB2 PRO 68 - HB3 GLU 82 lone 2 94 - 2 - HB2 CYS 87 - HG2 PRO 70 lone 2 71 - 2 - HB3 PRO 37 - HB2 GLN 103 lone 2 38 - 4 - HG3 GLU 28 - HB3 GLU 82 lone 1 92 - 1 - HG3 GLU 28 - HB2 GLU 82 lone 1 92 - 1 - HG2 GLU 28 - HB2 GLU 82 lone 1 89 - 1 - HG2 GLU 28 - HB3 GLU 82 lone 1 89 - 1 - HG3 GLU 94 - HB3 GLU 82 lone 1 67 - 2 - HG3 GLU 94 - HB2 GLU 82 lone 1 67 - 2 - HG3 GLU 38 - HB2 GLN 103 lone 1 75 - 1 - HG2 GLU 38 - HB2 GLN 103 lone 1 74 - 1 - HG2 GLU 56 - HB2 GLN 103 lone 1 75 - 1 - HG3 GLU 28 - HB2 GLN 103 lone 1 67 - 1 - HG2 GLU 28 - HB2 GLN 103 lone 1 65 - 1 - HB2 CYS 87 - HB2 GLN 103 lone 0 46 - 1 - Peak 3826 from cnoeabs.peaks (2.10, 2.35, 28.63 ppm; 3.47 A): 5 out of 36 assignments used, quality = 1.00: * HB3 PRO 70 + HG2 PRO 70 OK 100 100 - 100 - 2.3=100 HB2 GLU 15 + HG2 PRO 70 OK 52 89 - 59 - 1915/2.3=8, 1914=7...(29) HB3 PRO 70 + HB2 GLU 82 OK 51 98 - 52 - 3820=5, 1.8/3813=5...(29) HB3 PRO 70 + HB3 GLU 82 OK 51 98 - 52 - 3820=5, 1.8/3813=5...(29) HB2 LEU 101 + HG2 PRO 70 OK 47 100 - 47 - 3812/2.3=6, 3833/1.8=6...(21) HG3 GLU 69 - HG2 PRO 70 OK 39 95 - 41 - ~7247=8, 7248/2.3=7...(12) HB2 LEU 114 - HG2 PRO 70 OK 19 78 - 24 - 6221/2.3=3, 3812/2.3=2...(14) HB2 GLN 105 - HG2 PRO 70 OK 13 65 - 20 - ~8320=3, ~7252=2...(10) HB2 GLU 15 - HB3 GLU 82 OK 12 84 - 14 - 5445/3.7=3, 3.0/5957=1...(4) HB2 GLU 15 - HB2 GLU 82 OK 12 84 - 14 - 5445/3.7=3, 3.0/5957=1...(4) HG LEU 21 - HG2 PRO 70 OK 12 81 - 15 - ~6417=2, ~5977=2...(8) HB3 PRO 70 - HB2 GLN 103 OK 10 75 - 14 - ~4734=1, 3820=1, 1.8/3813=1 HB2 LEU 114 - HB2 GLN 103 poor 8 51 - 16 - 7952/4.6=2, 5067/1.8=1...(7) HB2 GLU 15 - HB2 GLN 103 lone 5 60 - 9 - 1914=1 HB3 GLN 16 - HG2 PRO 70 lone 5 73 - 7 - 4.0/32=1 HB2 GLN 16 - HG2 PRO 70 lone 5 71 - 7 - 4.0/32=1 HB2 LEU 101 - HB2 GLU 82 lone 2 97 - 2 - HB2 LEU 101 - HB3 GLU 82 lone 2 97 - 2 - HG3 GLU 69 - HB3 GLU 82 lone 2 91 - 2 - HG3 GLU 69 - HB2 GLU 82 lone 2 91 - 2 - HB2 LEU 101 - HB2 GLN 103 lone 2 74 - 3 - HG LEU 21 - HB2 GLU 82 lone 2 76 - 2 - HG LEU 21 - HB3 GLU 82 lone 2 76 - 2 - HB3 GLN 16 - HB3 GLU 82 lone 2 69 - 2 - HB3 GLN 16 - HB2 GLU 82 lone 2 69 - 2 - HB2 GLN 16 - HB2 GLU 82 lone 1 67 - 2 - HB2 GLN 16 - HB3 GLU 82 lone 1 67 - 2 - HB2 GLN 105 - HB2 GLN 103 lone 1 42 - 3 - 3.0/8321=1 HB3 GLN 16 - HB2 GLN 103 lone 1 48 - 3 - HB2 GLN 16 - HB2 GLN 103 lone 1 46 - 3 - HB2 LEU 114 - HB3 GLU 82 lone 1 74 - 2 - HB2 LEU 114 - HB2 GLU 82 lone 1 74 - 2 - HB2 GLN 105 - HB3 GLU 82 lone 1 61 - 2 - HB2 GLN 105 - HB2 GLU 82 lone 1 61 - 2 - HG3 GLU 69 - HB2 GLN 103 lone 1 66 - 1 - HG LEU 21 - HB2 GLN 103 lone 0 53 - 1 - Peak 3827 from cnoeabs.peaks (2.35, 2.35, 28.63 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 PRO 70 + HG2 PRO 70 OK 100 100 - 100 HB3 GLU 82 + HB3 GLU 82 OK 95 95 - 100 HB2 GLU 82 + HB2 GLU 82 OK 95 95 - 100 HB2 GLN 103 + HB2 GLN 103 OK 50 50 - 100 Peak 3828 from cnoeabs.peaks (2.04, 2.35, 28.63 ppm; 3.07 A): 1 out of 32 assignments used, quality = 1.00: * HG3 PRO 70 + HG2 PRO 70 OK 100 100 - 100 - 1.8=100 HG3 PRO 70 - HB2 GLU 82 OK 44 98 - 45 - 3834=7, 3834/1.8=5...(27) HG3 PRO 70 - HB3 GLU 82 OK 44 98 - 45 - 3834=7, 3834/1.8=5...(27) HG3 PRO 60 - HG2 PRO 70 OK 39 100 - 39 - 3814/2.3=5, 3821/2.3=5...(21) HB ILE 63 - HB2 GLU 82 OK 38 72 - 53 - ~7143=7, ~8649=7...(20) HB ILE 63 - HB3 GLU 82 OK 38 72 - 53 - ~7143=7, ~8649=7...(20) HG3 PRO 37 - HG2 PRO 70 OK 34 98 - 34 - 1.8/8256=4, 2.3/8255=4...(15) HB2 GLU 56 - HG2 PRO 70 OK 28 100 - 28 - 3814/2.3=4, 3821/2.3=3...(15) HB3 GLU 38 - HG2 PRO 70 OK 15 85 - 18 - 3821/2.3=2, 3814/2.3=2...(6) HB ILE 63 - HG2 PRO 70 OK 12 76 - 15 - 2.1/7141=2, 3793/2.3=1...(6) HB2 GLU 56 - HB2 GLU 82 lone 9 98 - 9 - 393/3.7=1 HB2 GLU 56 - HB3 GLU 82 lone 9 98 - 9 - 393/3.7=1 HG3 PRO 70 - HB2 GLN 103 poor 9 75 - 11 - 3834=1, ~4734=1 HB3 ARG 81 - HB2 GLU 82 lone 8 93 - 9 - 4.3/1172=6 HB3 ARG 81 - HB3 GLU 82 lone 8 93 - 9 - 4.3/1172=6 HB3 ARG 53 - HG2 PRO 70 lone 8 83 - 9 - HG3 PRO 60 - HB3 GLU 82 lone 8 97 - 8 - HG3 PRO 60 - HB2 GLU 82 lone 8 97 - 8 - HB3 ARG 81 - HG2 PRO 70 lone 6 97 - 6 - HG3 PRO 37 - HB3 GLU 82 lone 5 95 - 5 - HG3 PRO 37 - HB2 GLU 82 lone 5 95 - 5 - HB3 GLU 38 - HB2 GLU 82 lone 3 80 - 4 - HB3 GLU 38 - HB3 GLU 82 lone 3 80 - 4 - HB ILE 63 - HB2 GLN 103 lone 3 50 - 6 - ~8649=2, ~7136=1 HG3 PRO 37 - HB2 GLN 103 lone 2 71 - 3 - HG3 PRO 60 - HB2 GLN 103 lone 2 74 - 2 - HB3 ARG 53 - HB3 GLU 82 lone 1 78 - 1 - HB3 ARG 53 - HB2 GLU 82 lone 1 78 - 1 - HB3 GLU 38 - HB2 GLN 103 lone 0 57 - 1 - HB2 GLU 56 - HB2 GLN 103 lone 0 75 - 1 - HB3 ARG 81 - HB2 GLN 103 lone 0 69 - 0 - HB3 ARG 53 - HB2 GLN 103 lone 0 55 - 0 - Peak 3829 from cnoeabs.peaks (3.61, 2.35, 28.63 ppm; 3.79 A): 3 out of 32 assignments used, quality = 1.00: * HD2 PRO 70 + HG2 PRO 70 OK 100 100 - 100 - 2.3=100 HD2 PRO 70 + HB3 GLU 82 OK 55 98 - 56 - 1.8/3830=6, 3792=6...(27) HD2 PRO 70 + HB2 GLU 82 OK 55 98 - 56 - 1.8/3830=6, 3792=6...(27) HA VAL 115 - HG2 PRO 70 OK 42 99 - 42 - 6246=10, 3801/2.3=6...(16) HA2 GLY 39 - HG2 PRO 70 OK 40 99 - 41 - 3836/1.8=6, 3801/2.3=5...(16) HA GLU 75 - HG2 PRO 70 OK 37 68 - 55 - ~7304=6, 3836/1.8=6...(20) HA LEU 111 - HG2 PRO 70 OK 17 100 - 17 - 6220/2.3=3, 3836/1.8=2...(7) HA ILE 80 - HB3 GLU 82 OK 16 67 - 25 - 1682/4.3=7, 6125/3.7=6...(6) HA ILE 80 - HB2 GLU 82 OK 16 67 - 25 - 1682/4.3=7, 6125/3.7=6...(6) HA LYS 46 - HB2 GLN 103 OK 15 44 - 35 - ~2947=4, 2921/1.8=3...(18) HA ILE 80 - HG2 PRO 70 OK 12 71 - 17 - 4.9/6122=4, 3836/1.8=2...(8) HD2 PRO 70 - HB2 GLN 103 OK 12 75 - 15 - ~4734=1, 3792=1...(7) HA VAL 115 - HB2 GLU 82 lone 8 97 - 9 - 6246=2, 6246/1.8=2, 1682/4.3=1 HA VAL 115 - HB3 GLU 82 lone 8 97 - 9 - 6246=2, 6246/1.8=2, 1682/4.3=1 HA LEU 111 - HB2 GLN 103 lone 6 74 - 8 - 8418/1.8=2, ~4722=1...(5) HA LYS 46 - HG2 PRO 70 lone 5 68 - 7 - HA2 GLY 48 - HG2 PRO 70 lone 4 60 - 7 - ~986=1, 3801/2.3=1 HA2 GLY 39 - HB2 GLN 103 lone 4 72 - 5 - 6016/4.4=3 HA VAL 115 - HB2 GLN 103 lone 3 73 - 4 - 6246=1 HA LEU 111 - HB2 GLU 82 lone 3 97 - 3 - HA LEU 111 - HB3 GLU 82 lone 3 97 - 3 - HA2 GLY 39 - HB2 GLU 82 lone 3 96 - 3 - HA2 GLY 39 - HB3 GLU 82 lone 3 96 - 3 - HA GLU 75 - HB3 GLU 82 lone 3 64 - 4 - HA GLU 75 - HB2 GLU 82 lone 3 64 - 4 - HA LYS 46 - HB2 GLU 82 lone 2 64 - 3 - HA LYS 46 - HB3 GLU 82 lone 2 64 - 3 - HA ILE 80 - HB2 GLN 103 lone 1 46 - 3 - HA2 GLY 48 - HB3 GLU 82 lone 1 56 - 1 - HA2 GLY 48 - HB2 GLU 82 lone 1 56 - 1 - HA GLU 75 - HB2 GLN 103 lone 1 44 - 2 - HA2 GLY 48 - HB2 GLN 103 lone 1 38 - 1 - Peak 3830 from cnoeabs.peaks (3.46, 2.35, 28.63 ppm; 3.68 A): 4 out of 12 assignments used, quality = 1.00: * HD3 PRO 70 + HG2 PRO 70 OK 100 100 - 100 - 2.3=100 HD3 PRO 70 + HB3 GLU 82 OK 51 98 - 53 - 3799=6, 2.3/3834=5...(27) HD3 PRO 70 + HB2 GLU 82 OK 51 98 - 53 - 3799=6, 2.3/3834=5...(27) HA VAL 18 + HG2 PRO 70 OK 50 85 - 59 - 3837/1.8=9, 3795/2.3=8...(21) HB2 SER 44 - HG2 PRO 70 OK 27 100 - 27 - 3795/2.3=6, 3837/1.8=5...(8) HD3 PRO 70 - HB2 GLN 103 OK 11 75 - 14 - ~4734=1, 3799=1...(4) HA VAL 18 - HB3 GLU 82 poor 10 80 - 12 - 1988=2, 1988/1.8=1 HA VAL 18 - HB2 GLU 82 poor 10 80 - 12 - 1988=2, 1988/1.8=1 HA VAL 18 - HB2 GLN 103 poor 6 57 - 10 - 1988=1, 3.2/1998=1...(4) HB2 SER 44 - HB2 GLU 82 lone 2 97 - 2 - HB2 SER 44 - HB3 GLU 82 lone 2 97 - 2 - HB2 SER 44 - HB2 GLN 103 lone 1 74 - 1 - Peak 3832 from cnoeabs.peaks (2.24, 2.04, 28.63 ppm; 3.13 A): 1 out of 14 assignments used, quality = 1.00: * HB2 PRO 70 + HG3 PRO 70 OK 100 100 - 100 - 2.3=100 HG3 GLU 15 - HG3 PRO 70 OK 42 99 - 43 - 1932/1.8=7, 1930/2.3=5...(21) HB2 PRO 68 - HG3 PRO 70 OK 33 97 - 34 - ~7225=6, ~7224=4...(14) HG2 GLU 56 - HG3 PRO 70 OK 27 100 - 27 - 3281=4, 1.8/3287=3...(15) HB3 LEU 117 - HG3 PRO 70 OK 24 97 - 25 - 3.1/7264=3, 3818/2.3=2...(13) HG3 GLU 38 - HG3 PRO 70 OK 21 100 - 21 - 4.9/7272=3, 3818/2.3=2...(8) HG2 GLU 38 - HG3 PRO 70 OK 21 100 - 21 - 4.9/7272=3, 3818/2.3=2...(8) HB3 PRO 37 - HG3 PRO 70 OK 21 60 - 35 - ~8256=3, 2.3/2689=3...(18) HG3 GLU 64 - HG3 PRO 70 lone 5 99 - 5 - HG3 GLU 28 - HG3 PRO 70 lone 4 96 - 4 - HG2 GLU 28 - HG3 PRO 70 lone 4 93 - 4 - HG2 GLU 94 - HG3 PRO 70 lone 3 100 - 3 - HG3 GLU 94 - HG3 PRO 70 lone 2 71 - 2 - HB2 CYS 87 - HG3 PRO 70 lone 1 71 - 1 - Peak 3833 from cnoeabs.peaks (2.10, 2.04, 28.63 ppm; 2.49 A): 1 out of 9 assignments used, quality = 1.00: * HB3 PRO 70 + HG3 PRO 70 OK 100 100 - 100 - 2.3=100 HB2 GLU 15 - HG3 PRO 70 OK 26 89 - 30 - 1915/2.3=4, 1914/1.8=3...(15) HB2 LEU 101 - HG3 PRO 70 OK 23 100 - 23 - 3812/2.3=3, ~7257=2...(9) HG3 GLU 69 - HG3 PRO 70 OK 18 95 - 20 - ~7247=4, 7248/2.3=2...(9) HB2 LEU 114 - HG3 PRO 70 poor 9 78 - 11 - 3812/2.3=1, 6221/2.3=1 HB2 GLN 105 - HG3 PRO 70 lone 6 65 - 9 - ~8320=1 HG LEU 21 - HG3 PRO 70 lone 5 81 - 6 - HB3 GLN 16 - HG3 PRO 70 lone 2 73 - 2 - HB2 GLN 16 - HG3 PRO 70 lone 2 71 - 2 - Peak 3834 from cnoeabs.peaks (2.35, 2.04, 28.63 ppm; 3.00 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 70 + HG3 PRO 70 OK 100 100 - 100 - 1.8=100 HB2 GLU 82 - HG3 PRO 70 OK 41 98 - 42 - 3828=4, 3813/2.3=4...(25) HB3 GLU 82 - HG3 PRO 70 OK 41 98 - 42 - 3828=4, 3813/2.3=4...(25) HG2 GLU 15 - HG3 PRO 70 OK 35 85 - 41 - 1927/2.3=6, 1.8/3832=4...(21) HB VAL 18 - HG3 PRO 70 OK 34 98 - 35 - 3.0/3837=4, 1992/2.3=4...(17) HB3 PRO 60 - HG3 PRO 70 OK 28 60 - 46 - 3463=3, 2.3/3470=3...(29) HB3 ASN 118 - HG3 PRO 70 OK 14 100 - 14 - 6247/2.3=4, ~6245=2...(7) HB2 GLN 103 - HG3 PRO 70 poor 8 76 - 10 - ~4734=1 HB2 LEU 54 - HG3 PRO 70 lone 8 87 - 9 - 4.6/7272=1 HG2 MET 11 - HG3 PRO 70 lone 2 60 - 3 - Peak 3835 from cnoeabs.peaks (2.04, 2.04, 28.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 70 + HG3 PRO 70 OK 100 100 - 100 Peak 3836 from cnoeabs.peaks (3.61, 2.04, 28.63 ppm; 3.81 A): 1 out of 8 assignments used, quality = 1.00: * HD2 PRO 70 + HG3 PRO 70 OK 100 100 - 100 - 2.3=100 HA2 GLY 39 - HG3 PRO 70 OK 38 99 - 39 - 2.9/7272=7, 3801/2.3=5...(15) HA GLU 75 - HG3 PRO 70 OK 37 68 - 55 - 2.9/7273=7, ~7304=6...(20) HA VAL 115 - HG3 PRO 70 OK 37 99 - 37 - 6246/1.8=9, 3801/2.3=6...(15) HA LEU 111 - HG3 PRO 70 OK 15 100 - 15 - 6220/2.3=3, 3801/2.3=2...(7) HA ILE 80 - HG3 PRO 70 OK 11 71 - 15 - 4.0/7264=3, 3801/2.3=1...(7) HA2 GLY 48 - HG3 PRO 70 lone 5 60 - 8 - ~986=1, 3801/2.3=1 HA LYS 46 - HG3 PRO 70 lone 4 68 - 6 - Peak 3837 from cnoeabs.peaks (3.46, 2.04, 28.63 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 70 + HG3 PRO 70 OK 100 100 - 100 - 2.3=100 HA VAL 18 + HG3 PRO 70 OK 46 85 - 55 - 3795/2.3=9, 3816/2.3=8...(19) HB2 SER 44 - HG3 PRO 70 OK 27 100 - 27 - 3795/2.3=6, 3816/2.3=5...(8) Peak 3838 from cnoeabs.peaks (9.10, 4.48, 55.01 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 71 + HA ARG 71 OK 100 100 - 100 - 3.0=100 Peak 3839 from cnoeabs.peaks (4.48, 4.48, 55.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 71 + HA ARG 71 OK 100 100 - 100 Peak 3840 from cnoeabs.peaks (1.97, 4.48, 55.01 ppm; 3.12 A): 1 out of 17 assignments used, quality = 1.00: * HB2 ARG 71 + HA ARG 71 OK 100 100 - 100 - 3.0=100 HB3 PRO 30 - HA ARG 71 OK 26 68 - 38 - 1.8/2367=5, 3847=3...(16) HG2 PRO 60 - HA ARG 71 OK 21 85 - 25 - 2.3/3459=3, 2.3/3452=3...(10) HG LEU 45 - HA ARG 71 OK 19 100 - 19 - 3856/3.0=2, 2900/4.0=2...(7) HB3 PRO 68 - HA ARG 71 lone 6 98 - 6 - HG2 PRO 68 - HA ARG 71 lone 5 99 - 5 - HB2 LYS 46 - HA ARG 71 lone 5 73 - 7 - HB2 LEU 41 - HA ARG 71 lone 4 98 - 4 - HB3 GLN 103 - HA ARG 71 lone 4 98 - 4 - HB2 LEU 55 - HA ARG 71 lone 4 65 - 5 - HG LEU 114 - HA ARG 71 lone 3 99 - 3 - HB ILE 124 - HA ARG 71 lone 2 98 - 2 - HB2 MET 11 - HA ARG 71 lone 1 96 - 1 - HB3 GLU 94 - HA ARG 71 lone 1 83 - 2 - HB2 GLU 94 - HA ARG 71 lone 1 73 - 1 - HB2 ARG 85 - HA ARG 71 lone 1 68 - 1 - HB3 ARG 85 - HA ARG 71 lone 1 68 - 1 - Peak 3841 from cnoeabs.peaks (1.73, 4.48, 55.01 ppm; 2.88 A): 3 out of 11 assignments used, quality = 0.99: * HB3 ARG 71 + HA ARG 71 OK 95 100 - 95 - 3.0=88, 3854/3.0=14...(21) HG2 ARG 71 + HA ARG 71 OK 72 92 - 78 - 4.0=38, 3.0/3844=11...(25) HG3 ARG 71 + HA ARG 71 OK 49 63 - 78 - 4.0=38, 3.0/3844=11...(25) HB2 LYS 31 - HA ARG 71 OK 18 100 - 18 - 3855=3, 3854/3.0=2...(6) HB2 LEU 91 - HA ARG 71 OK 12 99 - 12 - 4380=1, 1.8/4387=1, 3.1/4401=1 HB2 LEU 45 - HA ARG 71 poor 10 71 - 14 - 6032/4.7=2, 3.0/3840=2...(4) HB2 ARG 53 - HA ARG 71 lone 9 95 - 9 - 3.6/3845=2, 3135/4.7=1 HB3 LEU 55 - HA ARG 71 lone 4 97 - 4 - HB3 LYS 46 - HA ARG 71 lone 3 76 - 4 - HB3 LEU 77 - HA ARG 71 lone 2 87 - 2 - HB VAL 66 - HA ARG 71 lone 2 85 - 2 - Peak 3842 from cnoeabs.peaks (1.74, 4.48, 55.01 ppm; 2.88 A): 3 out of 15 assignments used, quality = 0.99: HB3 ARG 71 + HA ARG 71 OK 87 92 - 95 - 3.0=88, 3854/3.0=13...(21) * HG2 ARG 71 + HA ARG 71 OK 78 100 - 78 - 4.0=38, 3.0/3844=11...(25) HG3 ARG 71 + HA ARG 71 OK 74 95 - 78 - 4.0=38, 3.0/3844=11...(25) HG3 PRO 30 - HA ARG 71 OK 20 83 - 25 - 2.3/2367=4, 2.3/3840=3...(8) HB2 LEU 45 - HA ARG 71 OK 15 97 - 15 - 6032/4.7=3, 3.0/3840=2...(4) HB2 LYS 31 - HA ARG 71 OK 14 85 - 17 - 3855=3, 3854/3.0=2...(6) HB2 LEU 91 - HA ARG 71 OK 12 98 - 12 - 4380=1, 1.8/4387=1, 3.1/4401=1 HB2 ARG 53 - HA ARG 71 lone 9 100 - 9 - 3.6/3845=2, 3135/4.7=1 HG2 GLN 42 - HA ARG 71 lone 6 90 - 6 - 3.9/3844=2, 2844/4.7=1 HB3 LYS 46 - HA ARG 71 lone 5 99 - 5 - HB3 LEU 55 - HA ARG 71 lone 3 68 - 4 - HB VAL 66 - HA ARG 71 lone 2 100 - 2 - HG LEU 117 - HA ARG 71 lone 2 85 - 2 - HD2 LYS 109 - HA ARG 71 lone 1 85 - 1 - HD3 LYS 109 - HA ARG 71 lone 1 78 - 1 - Peak 3843 from cnoeabs.peaks (1.76, 4.48, 55.01 ppm; 3.00 A): 3 out of 15 assignments used, quality = 0.99: * HG3 ARG 71 + HA ARG 71 OK 82 100 - 82 - 4.0=43, 3.0/3844=12...(27) HG2 ARG 71 + HA ARG 71 OK 77 95 - 82 - 4.0=43, 3.0/3844=12...(28) HB3 ARG 71 + HA ARG 71 OK 63 63 - 100 - 3.0=100 HG3 PRO 30 - HA ARG 71 OK 27 99 - 28 - 2.3/2367=4, 2.3/3840=3...(9) HB2 GLU 75 - HA ARG 71 OK 26 85 - 31 - 8335/3.0=9, ~8334=8...(8) HB2 LEU 45 - HA ARG 71 OK 17 100 - 17 - 6032/4.7=3, 3.0/3840=2...(4) HB2 LEU 91 - HA ARG 71 poor 10 78 - 12 - 1.8/4387=1, 4380=1, 3.1/4401=1 HB2 ARG 53 - HA ARG 71 lone 9 92 - 10 - 3.6/3845=2, 3135/4.7=1 HG2 GLN 42 - HA ARG 71 lone 7 100 - 8 - 3.9/3844=2, 2844/4.7=1 HB3 LYS 46 - HA ARG 71 lone 5 100 - 5 - HG LEU 117 - HA ARG 71 lone 3 99 - 3 - HB2 LEU 117 - HA ARG 71 lone 2 89 - 3 - HB VAL 66 - HA ARG 71 lone 2 98 - 2 - HD2 LYS 109 - HA ARG 71 lone 1 99 - 1 - HD3 LYS 109 - HA ARG 71 lone 1 98 - 1 - Peak 3844 from cnoeabs.peaks (3.22, 4.48, 55.01 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.92: * HD2 ARG 71 + HA ARG 71 OK 89 100 - 89 - 4.7=52, 3878/3.0=21...(22) HA GLN 42 + HA ARG 71 OK 22 99 - 23 - 3860/3.0=4, 3852/3.0=4...(7) HD2 ARG 81 + HA ARG 71 OK 13 83 - 15 - 3860/3.0=2, 3878/3.0=2...(8) HB3 TRP 20 - HA ARG 71 lone 6 100 - 6 - 3860/3.0=1, 3852/3.0=1 HB3 PHE 83 - HA ARG 71 lone 5 96 - 5 - Peak 3845 from cnoeabs.peaks (3.19, 4.48, 55.01 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.94: * HD3 ARG 71 + HA ARG 71 OK 94 100 - 94 - 4.7=68, 3886/3.0=24...(22) HD2 ARG 53 - HA ARG 71 OK 25 97 - 25 - 3861/3.0=5, 3853/3.0=4...(10) HD2 ARG 81 - HA ARG 71 OK 20 92 - 21 - 3853/3.0=3, 3886/3.0=3...(8) HA GLN 42 - HA ARG 71 OK 13 65 - 19 - 3853/3.0=3, 3861/3.0=2...(8) HB3 PHE 83 - HA ARG 71 lone 4 76 - 5 - Peak 3846 from cnoeabs.peaks (9.10, 1.97, 31.54 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 4.0=97, 3854/1.8=35...(15) H ARG 71 - HB3 PRO 30 OK 15 41 - 36 - 1108=5, 3.0/3840=5...(16) Peak 3847 from cnoeabs.peaks (4.48, 1.97, 31.54 ppm; 3.18 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.0=100 HA PRO 70 - HB2 ARG 71 OK 31 100 - 31 - 3.5/3846=14, 3855/1.8=4...(9) HA PRO 30 - HB3 PRO 30 OK 31 31 - 100 - 2.3=100 HA PRO 30 - HB2 ARG 71 OK 29 87 - 33 - 3855/1.8=4, 6581/4.3=3...(15) HA ARG 71 - HB3 PRO 30 OK 16 41 - 39 - 3840=6, 2367/1.8=4...(16) HA PRO 60 - HB2 ARG 71 OK 12 90 - 13 - 5696/4.0=2, ~3459=1...(6) HA LEU 101 - HB2 ARG 71 OK 11 99 - 12 - 4.0/7704=2, 3855/1.8=2...(4) HA LEU 91 - HB2 ARG 71 poor 9 78 - 11 - 3855/1.8=2, 4374/3.0=1 HA LEU 101 - HB3 PRO 30 poor 7 39 - 17 - 2367/1.8=3, ~8245=2...(10) HA LEU 91 - HB3 PRO 30 poor 6 27 - 23 - 2367/1.8=3, ~8245=3...(11) HA PRO 70 - HB3 PRO 30 lone 3 41 - 8 - 3.5/3846=2 HA SER 90 - HB2 ARG 71 lone 3 83 - 3 - HA SER 90 - HB3 PRO 30 lone 0 29 - 1 - HA PRO 60 - HB3 PRO 30 lone 0 33 - 1 - Peak 3848 from cnoeabs.peaks (1.97, 1.97, 31.54 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 PRO 30 - HB3 PRO 30 OK 22 22 - 100 Peak 3849 from cnoeabs.peaks (1.73, 1.97, 31.54 ppm; 2.46 A): 3 out of 22 assignments used, quality = 1.00: * HB3 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 1.8=100 HG2 ARG 71 + HB2 ARG 71 OK 67 92 - 73 - 3.0=58, 1.8/3872=5...(19) HG3 ARG 71 + HB2 ARG 71 OK 46 63 - 73 - 3.0=58, 1.8/3864=6...(19) HB2 LYS 31 - HB2 ARG 71 OK 15 100 - 15 - 3856=3, ~2417=1...(5) HB3 ARG 71 - HB3 PRO 30 OK 12 41 - 29 - 3856=4, 3855/2.3=2...(11) HB2 LEU 45 - HB2 ARG 71 poor 10 71 - 14 - 6032/3.6=2, 6032/3.6=1 HG2 ARG 71 - HB3 PRO 30 poor 10 34 - 29 - 3864=2, 3.0/3856=2...(10) HB2 LEU 91 - HB3 PRO 30 poor 7 40 - 18 - 4380/2.3=2, ~8245=2...(5) HB2 LEU 91 - HB2 ARG 71 lone 7 99 - 7 - HB2 ARG 53 - HB2 ARG 71 lone 6 95 - 7 - 3.6/3853=1, 3135/3.6=1 HG3 ARG 71 - HB3 PRO 30 poor 5 20 - 27 - 3864=2, 3.0/3856=2...(8) HB2 LYS 31 - HB3 PRO 30 poor 4 40 - 11 - 893/3.9=3, 4.7/6610=2...(4) HB3 LEU 55 - HB2 ARG 71 lone 4 97 - 4 - HB3 LYS 46 - HB2 ARG 71 lone 3 76 - 4 - HB2 LEU 45 - HB3 PRO 30 lone 2 23 - 8 - HB3 LEU 77 - HB2 ARG 71 lone 1 87 - 1 - HB VAL 66 - HB2 ARG 71 lone 1 85 - 1 - HB2 ARG 53 - HB3 PRO 30 lone 1 35 - 3 - HB3 LEU 55 - HB3 PRO 30 lone 1 37 - 3 - 893/3.9=1 HB3 LEU 77 - HB3 PRO 30 lone 1 31 - 2 - HB3 LYS 46 - HB3 PRO 30 lone 0 25 - 2 - HB VAL 66 - HB3 PRO 30 lone 0 30 - 1 - Peak 3850 from cnoeabs.peaks (1.74, 1.97, 31.54 ppm; 2.46 A): 3 out of 30 assignments used, quality = 0.99: HB3 ARG 71 + HB2 ARG 71 OK 92 92 - 100 - 1.8=100 * HG2 ARG 71 + HB2 ARG 71 OK 73 100 - 73 - 3.0=58, 1.8/3872=5...(19) HG3 ARG 71 + HB2 ARG 71 OK 69 95 - 73 - 3.0=58, 1.8/3864=6...(19) HG3 PRO 30 - HB3 PRO 30 OK 29 29 - 100 - 2.3=100 HG3 PRO 30 - HB2 ARG 71 OK 16 83 - 20 - 3872=1, 2.3/2369=1...(4) HB2 LEU 45 - HB2 ARG 71 OK 15 97 - 15 - 6032/3.6=3, 6032/3.6=2...(4) HG2 ARG 71 - HB3 PRO 30 OK 12 41 - 30 - 3864=2, 3.0/3856=2...(12) HB2 LYS 31 - HB2 ARG 71 OK 12 85 - 14 - 3856=2, ~2417=1, ~2408=1...(5) HG3 ARG 71 - HB3 PRO 30 OK 10 35 - 30 - 3872=2, 3.0/3856=2...(12) HB3 ARG 71 - HB3 PRO 30 poor 9 34 - 28 - 3856=3, 3.0/3840=2...(11) HB2 LEU 91 - HB3 PRO 30 poor 7 38 - 19 - 4380/2.3=2, ~8245=2...(5) HB2 ARG 53 - HB2 ARG 71 lone 7 100 - 7 - 3135/3.6=1, 3.6/3853=1 HB2 LEU 91 - HB2 ARG 71 lone 7 98 - 7 - HG2 GLN 42 - HB2 ARG 71 lone 6 90 - 6 - 3.9/3852=1, 2844/3.6=1 HB3 LYS 46 - HB2 ARG 71 lone 5 99 - 5 - HB2 LEU 45 - HB3 PRO 30 poor 4 37 - 10 - HG LEU 117 - HB3 PRO 30 poor 3 30 - 11 - HG2 GLN 42 - HB3 PRO 30 lone 3 33 - 9 - HB2 LYS 31 - HB3 PRO 30 lone 3 30 - 10 - 893/3.9=3, 4.7/6610=2, 3856=1 HB3 LEU 55 - HB2 ARG 71 lone 3 68 - 4 - HD2 LYS 109 - HB3 PRO 30 lone 2 30 - 7 - HD3 LYS 109 - HB3 PRO 30 lone 2 27 - 7 - HB2 ARG 53 - HB3 PRO 30 lone 2 41 - 4 - HB VAL 66 - HB2 ARG 71 lone 1 100 - 1 - HB3 LYS 46 - HB3 PRO 30 lone 1 39 - 3 - HG LEU 117 - HB2 ARG 71 lone 1 85 - 1 - HD2 LYS 109 - HB2 ARG 71 lone 1 85 - 1 - HD3 LYS 109 - HB2 ARG 71 lone 1 78 - 1 - HB VAL 66 - HB3 PRO 30 lone 1 40 - 2 - HB3 LEU 55 - HB3 PRO 30 lone 0 22 - 2 - Peak 3851 from cnoeabs.peaks (1.76, 1.97, 31.54 ppm; 2.58 A): 3 out of 30 assignments used, quality = 0.98: * HG3 ARG 71 + HB2 ARG 71 OK 80 100 - 80 - 3.0=67, 1.8/3864=6...(19) HG2 ARG 71 + HB2 ARG 71 OK 75 95 - 80 - 3.0=67, 1.8/3872=6...(20) HB3 ARG 71 + HB2 ARG 71 OK 63 63 - 100 - 1.8=100 HG3 PRO 30 - HB3 PRO 30 OK 39 39 - 100 - 2.3=100 HG3 PRO 30 - HB2 ARG 71 OK 23 99 - 23 - 3872=2, 2.3/2369=1...(5) HB2 LEU 45 - HB2 ARG 71 OK 17 100 - 18 - 6032/3.6=3, 6032/3.6=2...(5) HG3 ARG 71 - HB3 PRO 30 OK 14 41 - 35 - 3872=2, 2371/1.8=2...(15) HG2 ARG 71 - HB3 PRO 30 OK 12 35 - 35 - 3864=2, 3.0/3856=2...(16) HB2 GLU 75 - HB2 ARG 71 OK 11 85 - 13 - 8335/4.0=5, 7319/3.0=2...(4) HG2 GLN 42 - HB2 ARG 71 lone 8 100 - 8 - 3.9/3852=1, 2844/3.6=1 HB2 ARG 53 - HB2 ARG 71 lone 7 92 - 7 - 3.6/3853=1, 3135/3.6=1 HB3 ARG 71 - HB3 PRO 30 poor 6 20 - 29 - 3856=3, 3.0/3840=2...(12) HB2 LEU 91 - HB2 ARG 71 lone 6 78 - 7 - HB3 LYS 46 - HB2 ARG 71 lone 6 100 - 6 - HG LEU 117 - HB3 PRO 30 poor 6 40 - 14 - 2394/3.0=1, 2371/1.8=1...(4) HB2 LEU 91 - HB3 PRO 30 poor 6 27 - 21 - ~8245=2, 4380/2.3=2...(6) HB2 LEU 45 - HB3 PRO 30 poor 5 41 - 13 - HG2 GLN 42 - HB3 PRO 30 poor 5 41 - 12 - 2846/2.3=1 HB2 LEU 117 - HB3 PRO 30 poor 4 32 - 13 - 2371/1.8=1 HD2 LYS 109 - HB3 PRO 30 lone 3 40 - 8 - HD3 LYS 109 - HB3 PRO 30 lone 3 38 - 8 - HB2 GLU 75 - HB3 PRO 30 lone 2 30 - 7 - HB VAL 66 - HB2 ARG 71 lone 2 98 - 2 - HB2 ARG 53 - HB3 PRO 30 lone 1 34 - 4 - HG LEU 117 - HB2 ARG 71 lone 1 99 - 1 - HB3 LYS 46 - HB3 PRO 30 lone 1 40 - 3 - HD2 LYS 109 - HB2 ARG 71 lone 1 99 - 1 - HD3 LYS 109 - HB2 ARG 71 lone 1 98 - 1 - HB2 LEU 117 - HB2 ARG 71 lone 1 89 - 1 - HB VAL 66 - HB3 PRO 30 lone 1 38 - 2 - Peak 3852 from cnoeabs.peaks (3.22, 1.97, 31.54 ppm; 3.85 A): 1 out of 10 assignments used, quality = 1.00: * HD2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.6=100 HA GLN 42 - HB2 ARG 71 OK 32 99 - 33 - 3860/1.8=6, 3844/3.0=5...(11) HD2 ARG 71 - HB3 PRO 30 OK 20 41 - 49 - 3880=6, 1.8/3888=5...(27) HD2 ARG 81 - HB2 ARG 71 OK 15 83 - 19 - 3892/3.6=3, 3860/1.8=3...(8) HB3 TRP 20 - HB3 PRO 30 OK 11 41 - 27 - 2040/3.0=6, ~2373=5...(9) HA GLN 42 - HB3 PRO 30 OK 11 39 - 28 - 2823/2.3=3, 2822/2.3=2...(12) HB3 TRP 20 - HB2 ARG 71 lone 8 100 - 8 - 3860/1.8=2, 3844/3.0=1 HB3 PHE 83 - HB2 ARG 71 lone 6 96 - 7 - 3860/1.8=1, 3844/3.0=1 HD2 ARG 81 - HB3 PRO 30 lone 1 29 - 3 - HB3 PHE 83 - HB3 PRO 30 lone 1 36 - 2 - Peak 3853 from cnoeabs.peaks (3.19, 1.97, 31.54 ppm; 3.91 A): 1 out of 10 assignments used, quality = 1.00: * HD3 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.6=100 HD2 ARG 53 - HB2 ARG 71 OK 26 97 - 26 - 3861/1.8=6, 3845/3.0=4...(7) HD3 ARG 71 - HB3 PRO 30 OK 20 41 - 50 - 3888=6, 1.8/3880=5...(27) HD2 ARG 81 - HB2 ARG 71 OK 20 92 - 22 - 3885/3.6=4, 3861/1.8=4...(8) HA GLN 42 - HB2 ARG 71 OK 17 65 - 26 - 3.0/170=3, 3861/1.8=3...(11) HA GLN 42 - HB3 PRO 30 poor 6 21 - 26 - ~1593=2, 2823/2.3=2...(12) HB3 PHE 83 - HB2 ARG 71 lone 4 76 - 5 - HD2 ARG 53 - HB3 PRO 30 lone 3 37 - 8 - HD2 ARG 81 - HB3 PRO 30 lone 1 34 - 3 - HB3 PHE 83 - HB3 PRO 30 lone 0 25 - 2 - Peak 3854 from cnoeabs.peaks (9.10, 1.73, 31.54 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.97: * H ARG 71 + HB3 ARG 71 OK 97 100 - 97 - 4.0=84, 3846/1.8=30...(15) H ARG 71 - HB2 LYS 31 OK 15 100 - 15 - 3.0/3855=3, 1109=2...(6) Peak 3855 from cnoeabs.peaks (4.48, 1.73, 31.54 ppm; 3.30 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.0=100 HA PRO 70 - HB3 ARG 71 OK 33 100 - 33 - 3.5/3854=16, 3847/1.8=4...(9) HA PRO 30 - HB3 ARG 71 OK 31 87 - 36 - 3847/1.8=4, 2.3/3856=4...(17) HA ARG 71 - HB2 LYS 31 OK 23 100 - 23 - 3841=3, 3.0/3854=3...(10) HA PRO 30 - HB2 LYS 31 OK 18 86 - 21 - 111/4.0=10, 6581/4.7=5 HA LEU 91 - HB3 ARG 71 OK 15 78 - 19 - 4374=2, 3.0/4388=2...(6) HA LEU 101 - HB3 ARG 71 OK 13 99 - 13 - 3847/1.8=2, 1107/4.0=1 HA LEU 101 - HB2 LYS 31 OK 11 98 - 12 - 111/4.0=2 HA PRO 60 - HB3 ARG 71 OK 10 90 - 12 - 5696/4.0=2, 3847/1.8=2...(6) HA LEU 91 - HB2 LYS 31 poor 10 77 - 13 - 4374=2, 3.0/4388=1...(4) HA SER 90 - HB3 ARG 71 lone 4 83 - 5 - 3.6/1217=1 HA PRO 70 - HB2 LYS 31 lone 4 100 - 4 - 3.5/3854=3 HA SER 90 - HB2 LYS 31 lone 2 82 - 3 - HA PRO 60 - HB2 LYS 31 lone 1 89 - 1 - Peak 3856 from cnoeabs.peaks (1.97, 1.73, 31.54 ppm; 2.68 A): 1 out of 34 assignments used, quality = 1.00: * HB2 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 1.8=100 HB3 PRO 30 - HB3 ARG 71 OK 23 68 - 35 - 2.3/3855=2, 3840/3.0=2...(17) HB2 LEU 55 - HB2 LYS 31 OK 20 64 - 31 - ~2417=3, 3229=3...(14) HG LEU 45 - HB3 ARG 71 OK 19 100 - 19 - 3880/3.6=2, 3840/3.0=2...(6) HB2 ARG 71 - HB2 LYS 31 OK 17 100 - 17 - 3849=2, ~2417=2...(7) HG2 PRO 60 - HB3 ARG 71 OK 10 85 - 12 - 3840/3.0=2, 1108/4.0=1 HB3 PRO 30 - HB2 LYS 31 poor 9 67 - 13 - 3.9/893=4, 6610/4.7=3 HB2 LYS 46 - HB3 ARG 71 lone 5 73 - 7 - HB2 LEU 55 - HB3 ARG 71 lone 4 65 - 6 - HG LEU 45 - HB2 LYS 31 lone 4 100 - 4 - HB3 PRO 68 - HB3 ARG 71 lone 3 98 - 3 - HG2 PRO 68 - HB3 ARG 71 lone 3 99 - 3 - HB2 LEU 41 - HB3 ARG 71 lone 3 98 - 3 - HB2 LYS 46 - HB2 LYS 31 lone 3 72 - 4 - HG2 PRO 68 - HB2 LYS 31 lone 3 99 - 3 - HB3 PRO 68 - HB2 LYS 31 lone 3 97 - 3 - HG LEU 114 - HB3 ARG 71 lone 2 99 - 2 - HB ILE 124 - HB3 ARG 71 lone 2 98 - 2 - HB3 GLN 103 - HB3 ARG 71 lone 2 98 - 2 - HG2 PRO 60 - HB2 LYS 31 lone 2 84 - 2 - HB ILE 124 - HB2 LYS 31 lone 1 97 - 1 - HB2 MET 11 - HB3 ARG 71 lone 1 96 - 1 - HB2 LEU 41 - HB2 LYS 31 lone 1 97 - 1 - HB3 GLU 94 - HB3 ARG 71 lone 1 83 - 1 - HB3 ARG 85 - HB2 LYS 31 lone 1 67 - 1 - HB2 ARG 85 - HB2 LYS 31 lone 1 67 - 1 - HG LEU 114 - HB2 LYS 31 lone 1 99 - 1 - HB2 GLU 94 - HB3 ARG 71 lone 1 73 - 1 - HB3 ARG 85 - HB3 ARG 71 lone 1 68 - 1 - HB2 ARG 85 - HB3 ARG 71 lone 1 68 - 1 - HB3 GLU 94 - HB2 LYS 31 lone 0 82 - 1 - HB3 GLN 103 - HB2 LYS 31 lone 0 97 - 0 - HB2 MET 11 - HB2 LYS 31 lone 0 95 - 0 - HB2 GLU 94 - HB2 LYS 31 lone 0 72 - 0 - Peak 3857 from cnoeabs.peaks (1.73, 1.73, 31.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 99 99 - 100 Peak 3858 from cnoeabs.peaks (1.74, 1.73, 31.54 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB3 ARG 71 + HB3 ARG 71 OK 92 92 - 100 HB2 LYS 31 + HB2 LYS 31 OK 84 84 - 100 Reference assignment not found: HG2 ARG 71 - HB3 ARG 71 Peak 3859 from cnoeabs.peaks (1.76, 1.73, 31.54 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: HB3 ARG 71 + HB3 ARG 71 OK 63 63 - 100 Reference assignment not found: HG3 ARG 71 - HB3 ARG 71 Peak 3860 from cnoeabs.peaks (3.22, 1.73, 31.54 ppm; 3.83 A): 1 out of 10 assignments used, quality = 1.00: * HD2 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.6=100 HA GLN 42 - HB3 ARG 71 OK 29 99 - 29 - 3852/1.8=6, 3844/3.0=5...(12) HD2 ARG 71 - HB2 LYS 31 OK 15 100 - 15 - 3.6/3856=2, 4.7/3855=2...(8) HD2 ARG 81 - HB3 ARG 71 OK 15 83 - 18 - 3892/3.6=3, 3852/1.8=3...(7) HB3 TRP 20 - HB3 ARG 71 lone 7 100 - 7 - 3852/1.8=1, 3844/3.0=1 HB3 PHE 83 - HB3 ARG 71 lone 6 96 - 6 - 3852/1.8=1, 3844/3.0=1 HA GLN 42 - HB2 LYS 31 lone 5 98 - 5 - HB3 PHE 83 - HB2 LYS 31 lone 3 95 - 3 - HD2 ARG 81 - HB2 LYS 31 lone 2 82 - 3 - HB3 TRP 20 - HB2 LYS 31 lone 1 100 - 1 - Peak 3861 from cnoeabs.peaks (3.19, 1.73, 31.54 ppm; 3.89 A): 1 out of 10 assignments used, quality = 1.00: * HD3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.6=100 HD2 ARG 53 - HB3 ARG 71 OK 32 97 - 33 - 3853/1.8=5, 3845/3.0=4...(12) HD2 ARG 81 - HB3 ARG 71 OK 20 92 - 21 - 3853/1.8=4, 3885/3.6=4...(8) HD2 ARG 53 - HB2 LYS 31 OK 16 97 - 17 - 1.8/3171=2, 3163=2...(6) HD3 ARG 71 - HB2 LYS 31 OK 16 100 - 16 - 3.6/3856=2, 4.7/3855=2...(8) HA GLN 42 - HB3 ARG 71 OK 15 65 - 23 - 3853/1.8=3, 3885/3.6=2...(12) HB3 PHE 83 - HB3 ARG 71 lone 4 76 - 5 - HD2 ARG 81 - HB2 LYS 31 lone 3 91 - 3 - HA GLN 42 - HB2 LYS 31 lone 3 64 - 4 - HB3 PHE 83 - HB2 LYS 31 lone 2 75 - 3 - Peak 3862 from cnoeabs.peaks (9.10, 1.74, 26.46 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.99: * H ARG 71 + HG2 ARG 71 OK 91 100 - 91 - 5.0=41, 3854/3.0=24...(19) H ARG 71 + HG3 ARG 71 OK 87 95 - 92 - 5.0=41, 3854/3.0=24...(19) H ARG 71 - HG3 PRO 30 OK 15 56 - 27 - 3846/2.3=4, 1111=3...(11) Peak 3863 from cnoeabs.peaks (4.48, 1.74, 26.46 ppm; 3.27 A): 2 out of 21 assignments used, quality = 0.99: * HA ARG 71 + HG2 ARG 71 OK 91 100 - 91 - 4.0=56, 3844/3.0=14...(29) HA ARG 71 + HG3 ARG 71 OK 86 95 - 91 - 4.0=56, 3844/3.0=14...(28) HA PRO 30 - HG2 ARG 71 OK 35 87 - 41 - 2364/1.8=3, 3879/3.0=3...(25) HA PRO 30 - HG3 ARG 71 OK 32 78 - 41 - 2364=3, 3879/3.0=3...(24) HA PRO 30 - HG3 PRO 30 OK 27 43 - 63 - 3.8=61, 3.6/115=2 HA PRO 70 - HG2 ARG 71 OK 23 100 - 23 - 3.5/3862=9, 3847/3.0=3...(7) HA PRO 70 - HG3 ARG 71 OK 21 95 - 23 - 3.5/3862=8, 3847/3.0=3...(6) HA ARG 71 - HG3 PRO 30 OK 17 56 - 32 - 3840/2.3=4, 2367/2.3=4...(12) HA LEU 91 - HG2 ARG 71 OK 12 78 - 15 - 4374=2, 4374/3.0=1...(5) HA LEU 101 - HG2 ARG 71 lone 10 99 - 10 - 3887/3.0=1, 3855/3.0=1...(6) HA LEU 91 - HG3 ARG 71 poor 10 69 - 14 - 4374/1.8=1, 4374/3.0=1...(4) HA LEU 101 - HG3 ARG 71 lone 9 91 - 10 - 3887/3.0=1, 3855/3.0=1...(6) HA LEU 91 - HG3 PRO 30 poor 9 37 - 24 - 2367/2.3=3, 2346/2.3=3...(11) HA LEU 101 - HG3 PRO 30 poor 8 53 - 15 - 2367/2.3=2, 4648/1.8=2...(6) HA PRO 60 - HG2 ARG 71 lone 6 90 - 7 - 5696/5.0=1, 3847/3.0=1 HA PRO 60 - HG3 ARG 71 lone 6 81 - 7 - 5696/5.0=1, 3847/3.0=1 HA SER 90 - HG2 ARG 71 lone 4 83 - 4 - 3.6/1217=1 HA PRO 70 - HG3 PRO 30 lone 3 56 - 5 - 3.5/3870=2 HA SER 90 - HG3 ARG 71 lone 3 74 - 4 - HA SER 90 - HG3 PRO 30 lone 1 40 - 3 - 3.6/1217=1 HA PRO 60 - HG3 PRO 30 lone 0 45 - 1 - Peak 3864 from cnoeabs.peaks (1.97, 1.74, 26.46 ppm; 2.81 A): 2 out of 51 assignments used, quality = 0.99: * HB2 ARG 71 + HG2 ARG 71 OK 93 100 - 93 - 3.0=86, 3851/1.8=7...(25) HB2 ARG 71 + HG3 ARG 71 OK 88 95 - 93 - 3.0=86, 3849/1.8=8...(24) HB3 PRO 30 - HG3 PRO 30 OK 31 31 - 100 - 2.3=100 HG LEU 45 - HG2 ARG 71 OK 28 100 - 28 - 3880/3.0=2, 2900/1.8=2...(13) HB3 PRO 30 - HG2 ARG 71 OK 27 68 - 40 - 3856/3.0=2, 3888/3.0=2...(22) HG LEU 45 - HG3 ARG 71 OK 27 94 - 28 - 3880/3.0=2, 2.1/2914=2...(13) HB3 PRO 30 - HG3 ARG 71 OK 23 60 - 39 - 1.8/2371=2, 3856/3.0=2...(18) HB2 ARG 71 - HG3 PRO 30 OK 15 56 - 27 - 3851=3, 3847/3.8=2...(11) HB2 LYS 46 - HG2 ARG 71 poor 8 73 - 11 - 2932=1 HB2 LYS 46 - HG3 ARG 71 poor 7 65 - 11 - 2932=1 HG LEU 45 - HG3 PRO 30 poor 7 56 - 13 - ~8248=2, 2.1/2914=1, 2900=1 HG2 PRO 60 - HG2 ARG 71 lone 6 85 - 7 - 3840/4.0=1, 1108/5.0=1 HG2 PRO 60 - HG3 ARG 71 lone 5 76 - 7 - 3840/4.0=1, 1108/5.0=1 HB2 LEU 41 - HG2 ARG 71 lone 4 98 - 4 - HB2 LEU 41 - HG3 ARG 71 lone 4 91 - 5 - HB2 LEU 55 - HG2 ARG 71 lone 4 65 - 5 - HB3 PRO 68 - HG2 ARG 71 lone 3 98 - 3 - HG2 PRO 68 - HG2 ARG 71 lone 3 99 - 3 - HB3 PRO 68 - HG3 ARG 71 lone 3 91 - 3 - HG2 PRO 68 - HG3 ARG 71 lone 3 93 - 3 - HB2 LEU 55 - HG3 ARG 71 lone 3 57 - 4 - HB2 LEU 41 - HG3 PRO 30 lone 2 52 - 4 - HG LEU 114 - HG2 ARG 71 lone 2 99 - 2 - HG LEU 114 - HG3 ARG 71 lone 2 93 - 2 - HB ILE 124 - HG2 ARG 71 lone 2 98 - 2 - HB ILE 124 - HG3 ARG 71 lone 2 91 - 2 - HB2 LYS 46 - HG3 PRO 30 lone 2 34 - 5 - HB3 GLN 103 - HG2 ARG 71 lone 2 98 - 2 - HB3 GLN 103 - HG3 ARG 71 lone 2 91 - 2 - HB2 ARG 85 - HG3 PRO 30 lone 1 31 - 4 - HB3 ARG 85 - HG3 PRO 30 lone 1 31 - 4 - HB2 MET 11 - HG2 ARG 71 lone 1 96 - 1 - HB2 MET 11 - HG3 ARG 71 lone 1 87 - 1 - HB3 GLU 94 - HG2 ARG 71 lone 1 83 - 1 - HB3 GLU 94 - HG3 ARG 71 lone 1 74 - 1 - HB2 GLU 94 - HG2 ARG 71 lone 1 73 - 1 - HB2 GLU 94 - HG3 ARG 71 lone 1 65 - 1 - HB3 ARG 85 - HG2 ARG 71 lone 1 68 - 1 - HB2 ARG 85 - HG2 ARG 71 lone 1 68 - 1 - HG LEU 114 - HG3 PRO 30 lone 1 54 - 1 - HB2 ARG 85 - HG3 ARG 71 lone 1 60 - 1 - HB3 ARG 85 - HG3 ARG 71 lone 1 60 - 1 - HB2 LEU 55 - HG3 PRO 30 lone 1 30 - 2 - HB ILE 124 - HG3 PRO 30 lone 0 52 - 1 - HB3 GLU 94 - HG3 PRO 30 lone 0 40 - 1 - HB3 PRO 68 - HG3 PRO 30 lone 0 52 - 1 - HG2 PRO 68 - HG3 PRO 30 lone 0 54 - 1 - HB2 GLU 94 - HG3 PRO 30 lone 0 34 - 1 - HB3 GLN 103 - HG3 PRO 30 lone 0 52 - 1 - HG2 PRO 60 - HG3 PRO 30 lone 0 41 - 1 - HB2 MET 11 - HG3 PRO 30 lone 0 50 - 0 - Peak 3865 from cnoeabs.peaks (1.73, 1.74, 26.46 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HG2 ARG 71 + HG2 ARG 71 OK 92 92 - 100 HG3 ARG 71 + HG3 ARG 71 OK 55 55 - 100 Reference assignment not found: HB3 ARG 71 - HG2 ARG 71 Peak 3866 from cnoeabs.peaks (1.74, 1.74, 26.46 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 71 + HG2 ARG 71 OK 100 100 - 100 HG3 ARG 71 + HG3 ARG 71 OK 86 86 - 100 HG3 PRO 30 - HG3 PRO 30 OK 40 40 - 100 Peak 3867 from cnoeabs.peaks (1.76, 1.74, 26.46 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 71 + HG3 ARG 71 OK 95 95 - 100 HG2 ARG 71 + HG2 ARG 71 OK 95 95 - 100 HG3 PRO 30 + HG3 PRO 30 OK 54 54 - 100 Reference assignment not found: HG3 ARG 71 - HG2 ARG 71 Peak 3868 from cnoeabs.peaks (3.22, 1.74, 26.46 ppm; 3.15 A): 2 out of 15 assignments used, quality = 1.00: * HD2 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 3.0=100 HD2 ARG 71 + HG3 ARG 71 OK 95 95 - 100 - 3.0=100 HA GLN 42 - HG2 ARG 71 OK 30 99 - 30 - 3860/3.0=3, 3852/3.0=3...(15) HA GLN 42 - HG3 ARG 71 OK 28 91 - 30 - 3860/3.0=3, 3852/3.0=3...(14) HD2 ARG 81 - HG2 ARG 71 OK 16 83 - 20 - 3892/3.0=3, 3860/3.0=2...(8) HD2 ARG 71 - HG3 PRO 30 OK 16 56 - 29 - 3880/2.3=3, 3883=3...(16) HD2 ARG 81 - HG3 ARG 71 OK 14 74 - 20 - 3892/3.0=3, 3860/3.0=2...(8) HA GLN 42 - HG3 PRO 30 OK 11 53 - 22 - 6031=2, 2822/1.8=2...(10) HB3 TRP 20 - HG3 PRO 30 OK 11 55 - 19 - 2040/2.3=5, ~2373=3...(7) HB3 TRP 20 - HG2 ARG 71 lone 7 100 - 7 - HB3 TRP 20 - HG3 ARG 71 lone 6 94 - 7 - HB3 PHE 83 - HG2 ARG 71 lone 5 96 - 5 - HB3 PHE 83 - HG3 ARG 71 lone 5 87 - 5 - HD2 ARG 81 - HG3 PRO 30 lone 1 40 - 2 - HB3 PHE 83 - HG3 PRO 30 lone 1 50 - 1 - Peak 3869 from cnoeabs.peaks (3.19, 1.74, 26.46 ppm; 3.27 A): 2 out of 15 assignments used, quality = 1.00: * HD3 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 3.0=100 HD3 ARG 71 + HG3 ARG 71 OK 95 95 - 100 - 3.0=100 HD2 ARG 53 - HG2 ARG 71 OK 32 97 - 33 - 3163=5, 1.8/3171=3...(15) HD2 ARG 53 - HG3 ARG 71 OK 29 90 - 32 - 3163=4, 3163/1.8=3...(15) HD2 ARG 81 - HG2 ARG 71 OK 22 92 - 23 - 3885/3.0=3, 3853/3.0=2...(10) HD2 ARG 81 - HG3 ARG 71 OK 19 83 - 23 - 3885/3.0=3, 3853/3.0=2...(10) HA GLN 42 - HG2 ARG 71 OK 17 65 - 27 - 3885/3.0=2, 6031=2...(16) HD3 ARG 71 - HG3 PRO 30 OK 17 56 - 30 - 3888/2.3=3, 3891=3...(16) HA GLN 42 - HG3 ARG 71 OK 15 57 - 27 - 3.0/2831=2, 3885/3.0=2...(16) HA GLN 42 - HG3 PRO 30 poor 6 30 - 22 - ~1593=2, 3.0/2831=2...(10) HD2 ARG 53 - HG3 PRO 30 lone 4 51 - 7 - HB3 PHE 83 - HG2 ARG 71 lone 3 76 - 4 - HB3 PHE 83 - HG3 ARG 71 lone 3 67 - 4 - HD2 ARG 81 - HG3 PRO 30 lone 1 46 - 2 - HB3 PHE 83 - HG3 PRO 30 lone 0 36 - 1 - Peak 3870 from cnoeabs.peaks (9.10, 1.76, 26.46 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.99: * H ARG 71 + HG3 ARG 71 OK 92 100 - 92 - 5.0=41, 3854/3.0=24...(20) H ARG 71 + HG2 ARG 71 OK 86 95 - 91 - 5.0=41, 3854/3.0=24...(19) H ARG 71 - HG3 PRO 30 OK 20 73 - 28 - 3846/2.3=4, 1111=3...(11) Peak 3871 from cnoeabs.peaks (4.48, 1.76, 26.46 ppm; 3.22 A): 2 out of 21 assignments used, quality = 0.98: * HA ARG 71 + HG3 ARG 71 OK 90 100 - 90 - 4.0=54, 3844/3.0=14...(28) HA ARG 71 + HG2 ARG 71 OK 85 95 - 90 - 4.0=54, 3844/3.0=14...(29) HA PRO 30 - HG3 ARG 71 OK 36 87 - 42 - 2364=4, 2.3/2371=3...(23) HA PRO 30 - HG3 PRO 30 OK 35 57 - 61 - 3.8=59, 3.6/115=2 HA PRO 30 - HG2 ARG 71 OK 32 78 - 41 - 2364/1.8=3, 2364=3...(24) HA ARG 71 - HG3 PRO 30 OK 23 73 - 31 - 3843=4, 3840/2.3=4...(11) HA PRO 70 - HG3 ARG 71 OK 23 100 - 23 - 3.5/3870=8, 3847/3.0=3...(7) HA PRO 70 - HG2 ARG 71 OK 21 95 - 22 - 3.5/3870=8, 3847/3.0=3...(7) HA LEU 91 - HG3 PRO 30 OK 11 50 - 22 - 2367/2.3=3, 2346/2.3=2...(9) HA LEU 101 - HG3 PRO 30 OK 10 70 - 14 - 2367/2.3=2, 4648/1.8=2...(5) HA LEU 91 - HG3 ARG 71 poor 10 78 - 13 - 4374/1.8=1, 4374/3.0=1 HA LEU 101 - HG3 ARG 71 lone 9 99 - 10 - 3887/3.0=1, 3855/3.0=1...(5) HA LEU 91 - HG2 ARG 71 poor 9 69 - 13 - 4374=1, 4374/3.0=1...(5) HA LEU 101 - HG2 ARG 71 lone 9 91 - 9 - 3887/3.0=1, 3855/3.0=1...(5) HA PRO 60 - HG3 ARG 71 lone 6 90 - 7 - 5696/5.0=1, 3847/3.0=1 HA PRO 60 - HG2 ARG 71 lone 5 81 - 7 - 5696/5.0=1, 3847/3.0=1 HA PRO 70 - HG3 PRO 30 lone 4 73 - 6 - 3.5/3870=2 HA SER 90 - HG3 ARG 71 lone 3 83 - 3 - HA SER 90 - HG2 ARG 71 lone 3 74 - 4 - HA SER 90 - HG3 PRO 30 lone 1 54 - 3 - HA PRO 60 - HG3 PRO 30 lone 0 60 - 1 - Peak 3872 from cnoeabs.peaks (1.97, 1.76, 26.46 ppm; 2.78 A): 2 out of 51 assignments used, quality = 0.99: * HB2 ARG 71 + HG3 ARG 71 OK 92 100 - 92 - 3.0=84, 3849/1.8=8...(23) HB2 ARG 71 + HG2 ARG 71 OK 86 95 - 91 - 3.0=84, 3851/1.8=7...(24) HB3 PRO 30 - HG3 PRO 30 OK 43 43 - 100 - 2.3=100 HG LEU 45 - HG3 ARG 71 OK 28 100 - 28 - 3880/3.0=2, 2.1/2914=2...(13) HB3 PRO 30 - HG3 ARG 71 OK 27 68 - 40 - 1.8/2371=3, 2.3/2364=2...(17) HG LEU 45 - HG2 ARG 71 OK 26 94 - 28 - 3880/3.0=2, 2.1/2914=2...(13) HB3 PRO 30 - HG2 ARG 71 OK 24 60 - 40 - 1.8/2371=2, 3856/3.0=2...(19) HB2 ARG 71 - HG3 PRO 30 OK 20 73 - 27 - 3851=3, 3.0/3843=2...(11) HG LEU 45 - HG3 PRO 30 poor 9 73 - 13 - ~8248=2, 2.1/2914=1, 2900=1 HB2 LYS 46 - HG3 ARG 71 poor 8 73 - 11 - 2932=1 HB2 LYS 46 - HG2 ARG 71 poor 7 65 - 11 - 2932=1 HG2 PRO 60 - HG3 ARG 71 lone 6 85 - 7 - 3840/4.0=1 HG2 PRO 60 - HG2 ARG 71 lone 5 76 - 7 - 3840/4.0=1 HB2 LEU 41 - HG3 ARG 71 lone 4 98 - 5 - HB2 LEU 41 - HG2 ARG 71 lone 4 91 - 4 - HB2 LEU 41 - HG3 PRO 30 lone 3 69 - 5 - HB3 PRO 68 - HG3 ARG 71 lone 3 98 - 3 - HG2 PRO 68 - HG3 ARG 71 lone 3 99 - 3 - HB2 LEU 55 - HG3 ARG 71 lone 3 65 - 4 - HB3 PRO 68 - HG2 ARG 71 lone 3 91 - 3 - HG2 PRO 68 - HG2 ARG 71 lone 3 93 - 3 - HB2 LEU 55 - HG2 ARG 71 lone 3 57 - 4 - HB2 LYS 46 - HG3 PRO 30 lone 2 46 - 5 - HG LEU 114 - HG3 ARG 71 lone 2 99 - 2 - HB ILE 124 - HG3 ARG 71 lone 2 98 - 2 - HG LEU 114 - HG2 ARG 71 lone 2 93 - 2 - HB3 ARG 85 - HG3 PRO 30 lone 2 43 - 4 - HB2 ARG 85 - HG3 PRO 30 lone 2 43 - 4 - HB ILE 124 - HG2 ARG 71 lone 2 91 - 2 - HB3 GLN 103 - HG3 ARG 71 lone 2 98 - 2 - HB3 GLN 103 - HG2 ARG 71 lone 2 91 - 2 - HB2 MET 11 - HG3 ARG 71 lone 1 96 - 1 - HB2 MET 11 - HG2 ARG 71 lone 1 87 - 1 - HB3 GLU 94 - HG3 ARG 71 lone 1 83 - 1 - HB3 GLU 94 - HG2 ARG 71 lone 1 74 - 1 - HG LEU 114 - HG3 PRO 30 lone 1 71 - 1 - HB2 GLU 94 - HG3 ARG 71 lone 1 73 - 1 - HB2 LEU 55 - HG3 PRO 30 lone 1 41 - 2 - HB ILE 124 - HG3 PRO 30 lone 1 69 - 1 - HB2 GLU 94 - HG2 ARG 71 lone 1 65 - 1 - HB3 ARG 85 - HG3 ARG 71 lone 1 68 - 1 - HB2 ARG 85 - HG3 ARG 71 lone 1 68 - 1 - HB3 ARG 85 - HG2 ARG 71 lone 1 60 - 1 - HB2 ARG 85 - HG2 ARG 71 lone 1 60 - 1 - HB3 GLU 94 - HG3 PRO 30 lone 1 54 - 1 - HB3 PRO 68 - HG3 PRO 30 lone 0 69 - 1 - HG2 PRO 68 - HG3 PRO 30 lone 0 71 - 1 - HB3 GLN 103 - HG3 PRO 30 lone 0 69 - 1 - HB2 GLU 94 - HG3 PRO 30 lone 0 46 - 1 - HG2 PRO 60 - HG3 PRO 30 lone 0 55 - 1 - HB2 MET 11 - HG3 PRO 30 lone 0 66 - 0 - Peak 3873 from cnoeabs.peaks (1.73, 1.76, 26.46 ppm; diagonal): 2 out of 2 assignments used, quality = 0.94: HG2 ARG 71 + HG2 ARG 71 OK 83 83 - 100 HG3 ARG 71 + HG3 ARG 71 OK 63 63 - 100 Reference assignment not found: HB3 ARG 71 - HG3 ARG 71 Peak 3874 from cnoeabs.peaks (1.74, 1.76, 26.46 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 71 + HG3 ARG 71 OK 95 95 - 100 HG2 ARG 71 + HG2 ARG 71 OK 95 95 - 100 HG3 PRO 30 + HG3 PRO 30 OK 54 54 - 100 Reference assignment not found: HG2 ARG 71 - HG3 ARG 71 Peak 3875 from cnoeabs.peaks (1.76, 1.76, 26.46 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 71 + HG3 ARG 71 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 86 86 - 100 HG3 PRO 30 + HG3 PRO 30 OK 71 71 - 100 Peak 3876 from cnoeabs.peaks (3.22, 1.76, 26.46 ppm; 3.16 A): 2 out of 15 assignments used, quality = 1.00: * HD2 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 3.0=100 HD2 ARG 71 + HG2 ARG 71 OK 95 95 - 100 - 3.0=100 HA GLN 42 - HG3 ARG 71 OK 31 99 - 31 - 3860/3.0=3, 3852/3.0=3...(15) HA GLN 42 - HG2 ARG 71 OK 28 91 - 31 - 3860/3.0=3, 3852/3.0=3...(15) HD2 ARG 71 - HG3 PRO 30 OK 22 73 - 30 - 3883=3, 3880/2.3=3...(16) HD2 ARG 81 - HG3 ARG 71 OK 16 83 - 20 - 3892/3.0=3, 3860/3.0=2...(8) HA GLN 42 - HG3 PRO 30 OK 16 70 - 23 - 2823=2, 3.0/2831=2...(10) HB3 TRP 20 - HG3 PRO 30 OK 15 73 - 20 - 2040/2.3=5, ~2373=3...(8) HD2 ARG 81 - HG2 ARG 71 OK 14 74 - 20 - 3892/3.0=3, 3860/3.0=2...(8) HB3 TRP 20 - HG3 ARG 71 lone 7 100 - 7 - HB3 TRP 20 - HG2 ARG 71 lone 6 94 - 7 - HB3 PHE 83 - HG3 ARG 71 lone 5 96 - 5 - HB3 PHE 83 - HG2 ARG 71 lone 5 87 - 5 - HD2 ARG 81 - HG3 PRO 30 lone 1 54 - 2 - HB3 PHE 83 - HG3 PRO 30 lone 1 66 - 1 - Peak 3877 from cnoeabs.peaks (3.19, 1.76, 26.46 ppm; 3.30 A): 2 out of 15 assignments used, quality = 1.00: * HD3 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 3.0=100 HD3 ARG 71 + HG2 ARG 71 OK 95 95 - 100 - 3.0=100 HD2 ARG 53 - HG3 ARG 71 OK 31 97 - 32 - 3163=4, 3163/1.8=4...(15) HD2 ARG 53 - HG2 ARG 71 OK 29 90 - 33 - 3163=4, 3861/3.0=3...(15) HD3 ARG 71 - HG3 PRO 30 OK 23 73 - 31 - 3888/2.3=3, 3891=3...(16) HD2 ARG 81 - HG3 ARG 71 OK 22 92 - 24 - 3885/3.0=3, 3853/3.0=2...(10) HD2 ARG 81 - HG2 ARG 71 OK 20 83 - 24 - 3885/3.0=3, 3853/3.0=2...(10) HA GLN 42 - HG3 ARG 71 OK 18 65 - 28 - 3.0/2831=2, 2823=2...(16) HA GLN 42 - HG2 ARG 71 OK 16 57 - 28 - 3885/3.0=2, 3.0/2831=2...(16) HA GLN 42 - HG3 PRO 30 poor 9 41 - 23 - 3.0/2831=2, ~1593=2...(10) HD2 ARG 53 - HG3 PRO 30 lone 5 68 - 7 - HB3 PHE 83 - HG3 ARG 71 lone 4 76 - 5 - HB3 PHE 83 - HG2 ARG 71 lone 3 67 - 4 - HD2 ARG 81 - HG3 PRO 30 lone 1 62 - 2 - HB3 PHE 83 - HG3 PRO 30 lone 1 48 - 1 - Peak 3878 from cnoeabs.peaks (9.10, 3.22, 42.96 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.92: * H ARG 71 + HD2 ARG 71 OK 92 100 - 92 - 6.2=37, 3854/3.6=29...(16) H ARG 71 - HD2 ARG 81 poor 9 48 - 19 - 3.0/3844=3, 8693=3...(9) Peak 3879 from cnoeabs.peaks (4.48, 3.22, 42.96 ppm; 4.03 A): 2 out of 14 assignments used, quality = 0.95: * HA ARG 71 + HD2 ARG 71 OK 93 100 - 93 - 4.7=62, 3.0/3878=24...(22) HA PRO 70 + HD2 ARG 71 OK 32 100 - 32 - 3.5/3878=21, 3847/3.6=4...(6) HA PRO 30 - HD2 ARG 71 OK 30 87 - 35 - 2.3/3880=5, 2364/3.0=4...(15) HA LEU 101 - HD2 ARG 71 OK 11 99 - 11 - 4.0/7703=2, 3855/3.6=2...(4) HA ARG 71 - HD2 ARG 81 poor 9 48 - 19 - 3844=5, 3.0/3860=3...(9) HA LEU 91 - HD2 ARG 71 poor 8 78 - 10 - 4374/3.6=2, 4374/3.0=2...(4) HA PRO 60 - HD2 ARG 71 lone 6 90 - 6 - 3847/3.6=1, 5696/6.2=1 HA PRO 70 - HD2 ARG 81 lone 3 48 - 5 - 3.5/3878=2 HA LEU 101 - HD2 ARG 81 lone 2 46 - 5 - 4.0/7703=1 HA SER 90 - HD2 ARG 71 lone 2 83 - 3 - HA PRO 60 - HD2 ARG 81 lone 1 39 - 3 - HA PRO 30 - HD2 ARG 81 lone 1 37 - 2 - HA LEU 91 - HD2 ARG 81 lone 1 32 - 2 - HA SER 90 - HD2 ARG 81 lone 0 34 - 1 - Peak 3880 from cnoeabs.peaks (1.97, 3.22, 42.96 ppm; 3.62 A): 1 out of 34 assignments used, quality = 1.00: * HB2 ARG 71 + HD2 ARG 71 OK 100 100 - 100 - 3.6=100 HG LEU 45 - HD2 ARG 71 OK 34 100 - 34 - 3.0/6032=8, 2.1/6848=4...(15) HB3 PRO 30 - HD2 ARG 71 OK 29 68 - 43 - 2.3/3879=4, 3852=4...(27) HB2 ARG 71 - HD2 ARG 81 poor 9 48 - 18 - 3852=3, 3.6/3892=3...(9) HB2 LEU 41 - HD2 ARG 71 lone 8 98 - 8 - 4.2/950=3 HB2 LYS 46 - HD2 ARG 71 lone 7 73 - 9 - 1.8/2844=1 HG2 PRO 60 - HD2 ARG 71 lone 6 85 - 7 - 3840/4.7=2, 3856/3.6=1 HB2 LEU 41 - HD2 ARG 81 lone 3 45 - 8 - 4.2/950=2, 6760/4784=1 HB3 PRO 68 - HD2 ARG 71 lone 3 98 - 3 - HB2 LEU 55 - HD2 ARG 71 lone 3 65 - 5 - HG2 PRO 68 - HD2 ARG 71 lone 3 99 - 3 - HB ILE 124 - HD2 ARG 71 lone 3 98 - 3 - HG LEU 114 - HD2 ARG 71 lone 2 99 - 2 - HG LEU 45 - HD2 ARG 81 lone 2 48 - 5 - 3.0/6032=1 HB ILE 124 - HD2 ARG 81 lone 2 45 - 5 - HB3 GLN 103 - HD2 ARG 71 lone 2 98 - 2 - HG2 PRO 60 - HD2 ARG 81 lone 2 35 - 4 - HG LEU 114 - HD2 ARG 81 lone 1 47 - 3 - HB2 LEU 55 - HD2 ARG 81 lone 1 25 - 5 - ~8295=1, 8294/2.9=1 HB2 MET 11 - HD2 ARG 71 lone 1 96 - 1 - HB3 GLU 94 - HD2 ARG 71 lone 1 83 - 1 - HB2 GLU 94 - HD2 ARG 71 lone 1 73 - 1 - HB2 MET 11 - HD2 ARG 81 lone 1 43 - 2 - HB2 ARG 85 - HD2 ARG 71 lone 1 68 - 1 - HB3 ARG 85 - HD2 ARG 71 lone 1 68 - 1 - HB3 PRO 68 - HD2 ARG 81 lone 1 45 - 2 - HB2 LYS 46 - HD2 ARG 81 lone 1 29 - 3 - HB3 PRO 30 - HD2 ARG 81 lone 1 27 - 3 - HG2 PRO 68 - HD2 ARG 81 lone 1 47 - 1 - HB3 GLN 103 - HD2 ARG 81 lone 0 45 - 1 - HB2 ARG 85 - HD2 ARG 81 lone 0 27 - 1 - HB3 ARG 85 - HD2 ARG 81 lone 0 27 - 1 - HB3 GLU 94 - HD2 ARG 81 lone 0 34 - 1 - HB2 GLU 94 - HD2 ARG 81 lone 0 29 - 1 - Peak 3881 from cnoeabs.peaks (1.73, 3.22, 42.96 ppm; 2.97 A): 3 out of 22 assignments used, quality = 0.99: HG2 ARG 71 + HD2 ARG 71 OK 92 92 - 100 - 3.0=100 * HB3 ARG 71 + HD2 ARG 71 OK 75 100 - 75 - 3.6=57, 3.0/3844=11...(16) HG3 ARG 71 + HD2 ARG 71 OK 63 63 - 100 - 3.0=100 HB2 LEU 45 - HD2 ARG 71 OK 18 71 - 25 - 6032=8, 6032/1.8=3...(9) HB2 ARG 53 - HD2 ARG 71 OK 12 95 - 13 - 3135/1.8=2, ~3143=2...(6) HB2 LYS 31 - HD2 ARG 71 lone 10 100 - 10 - 3860=2, 3861/1.8=2, 3856/3.6=1 HG2 ARG 71 - HD2 ARG 81 poor 7 40 - 19 - 3.0/3892=2, 3868=2...(10) HB3 ARG 71 - HD2 ARG 81 poor 6 48 - 12 - 3.6/3892=2, 3860=2...(5) HB2 LEU 91 - HD2 ARG 71 lone 5 99 - 5 - HG3 ARG 71 - HD2 ARG 81 poor 4 24 - 18 - 3.0/3892=2, 3868=2...(10) HB3 LYS 46 - HD2 ARG 71 lone 4 76 - 5 - HB3 LEU 55 - HD2 ARG 71 lone 3 97 - 3 - HB VAL 66 - HD2 ARG 71 lone 2 85 - 2 - HB VAL 66 - HD2 ARG 81 lone 2 35 - 5 - ~7189=1 HB3 LEU 55 - HD2 ARG 81 lone 2 44 - 4 - 8295/2.9=1 HB2 ARG 53 - HD2 ARG 81 lone 1 42 - 2 - HB3 LEU 77 - HD2 ARG 81 lone 1 37 - 2 - HB2 LYS 31 - HD2 ARG 81 lone 1 48 - 2 - HB2 LEU 45 - HD2 ARG 81 lone 1 28 - 3 - HB3 LEU 77 - HD2 ARG 71 lone 1 87 - 1 - HB2 LEU 91 - HD2 ARG 81 lone 1 47 - 1 - HB3 LYS 46 - HD2 ARG 81 lone 0 30 - 2 - Peak 3882 from cnoeabs.peaks (1.74, 3.22, 42.96 ppm; 2.97 A): 3 out of 30 assignments used, quality = 1.00: * HG2 ARG 71 + HD2 ARG 71 OK 100 100 - 100 - 3.0=100 HG3 ARG 71 + HD2 ARG 71 OK 95 95 - 100 - 3.0=100 HB3 ARG 71 + HD2 ARG 71 OK 69 92 - 75 - 3.6=57, 3.0/3844=11...(16) HB2 LEU 45 - HD2 ARG 71 OK 29 97 - 30 - 6032=11, 6032/1.8=5...(9) HG3 PRO 30 - HD2 ARG 71 OK 21 83 - 25 - 2.3/3880=3, 3876=2...(11) HG2 GLN 42 - HD2 ARG 71 OK 20 90 - 22 - 1.8/2852=4, 3.0/2828=3...(10) HB2 ARG 53 - HD2 ARG 71 OK 13 100 - 13 - 3135/1.8=2, ~3143=2...(6) HG2 ARG 71 - HD2 ARG 81 poor 9 48 - 19 - 3.0/3892=2, 3868=2...(10) HB2 LYS 31 - HD2 ARG 71 lone 8 85 - 9 - 3860=2, 3861/1.8=1, 3856/3.6=1 HG3 ARG 71 - HD2 ARG 81 poor 8 42 - 19 - 3.0/3892=2, 3876=2...(10) HG2 GLN 42 - HD2 ARG 81 poor 7 39 - 19 - 1.8/2852=3, 3.0/2828=2...(9) HB3 LYS 46 - HD2 ARG 71 lone 6 99 - 6 - HB2 LEU 91 - HD2 ARG 71 lone 5 98 - 5 - HB3 ARG 71 - HD2 ARG 81 poor 5 40 - 12 - 3.6/3892=2, 3860=2...(5) HB VAL 66 - HD2 ARG 81 lone 2 48 - 5 - ~7189=1 HB VAL 66 - HD2 ARG 71 lone 2 100 - 2 - HB3 LEU 55 - HD2 ARG 71 lone 2 68 - 3 - HB2 LEU 45 - HD2 ARG 81 lone 2 44 - 4 - 6032=1 HD2 LYS 109 - HD2 ARG 71 lone 1 85 - 2 - HD3 LYS 109 - HD2 ARG 71 lone 1 78 - 2 - HG LEU 117 - HD2 ARG 71 lone 1 85 - 1 - HB2 ARG 53 - HD2 ARG 81 lone 1 48 - 2 - HB3 LYS 46 - HD2 ARG 81 lone 1 46 - 2 - HB3 LEU 55 - HD2 ARG 81 lone 1 27 - 3 - HG LEU 117 - HD2 ARG 81 lone 1 35 - 2 - HG3 PRO 30 - HD2 ARG 81 lone 1 34 - 2 - HB2 LYS 31 - HD2 ARG 81 lone 1 35 - 2 - HB2 LEU 91 - HD2 ARG 81 lone 1 45 - 1 - HD2 LYS 109 - HD2 ARG 81 lone 0 35 - 1 - HD3 LYS 109 - HD2 ARG 81 lone 0 32 - 1 - Peak 3883 from cnoeabs.peaks (1.76, 3.22, 42.96 ppm; 3.00 A): 3 out of 30 assignments used, quality = 1.00: * HG3 ARG 71 + HD2 ARG 71 OK 100 100 - 100 - 3.0=100 HG2 ARG 71 + HD2 ARG 71 OK 95 95 - 100 - 3.0=100 HB3 ARG 71 + HD2 ARG 71 OK 48 63 - 77 - 3.6=59, 3.0/3844=11...(16) HB2 LEU 45 - HD2 ARG 71 OK 31 100 - 31 - 6032=12, 6032/1.8=5...(9) HG3 PRO 30 - HD2 ARG 71 OK 26 99 - 26 - 2.3/3880=3, 3876=3...(11) HG2 GLN 42 - HD2 ARG 71 OK 23 100 - 23 - 1.8/2852=4, 2844=3...(10) HB2 ARG 53 - HD2 ARG 71 OK 12 92 - 13 - 3135/1.8=2, ~3143=2...(6) HG2 GLN 42 - HD2 ARG 81 poor 10 48 - 20 - 1.8/2852=3, 2844=3...(9) HG3 ARG 71 - HD2 ARG 81 poor 9 48 - 20 - 3.0/3892=2, 3876=2...(10) HB2 GLU 75 - HD2 ARG 71 lone 8 85 - 10 - 8335/6.2=4, 7319/4.7=2 HG2 ARG 71 - HD2 ARG 81 poor 8 42 - 20 - 3.0/3892=2, 3868=2...(10) HB3 LYS 46 - HD2 ARG 71 lone 7 100 - 7 - HB2 LEU 91 - HD2 ARG 71 lone 4 78 - 5 - HB3 ARG 71 - HD2 ARG 81 poor 3 24 - 11 - 3.6/3892=2, 1.8/3852=2...(7) HB VAL 66 - HD2 ARG 81 lone 2 45 - 5 - ~7189=1 HB VAL 66 - HD2 ARG 71 lone 2 98 - 2 - HB2 LEU 45 - HD2 ARG 81 lone 2 48 - 4 - 6032=1 HD2 LYS 109 - HD2 ARG 71 lone 2 99 - 2 - HD3 LYS 109 - HD2 ARG 71 lone 2 98 - 2 - HG LEU 117 - HD2 ARG 71 lone 2 99 - 2 - HB2 LEU 117 - HD2 ARG 81 lone 1 38 - 4 - 5138/4.7=1 HB2 LEU 117 - HD2 ARG 71 lone 1 89 - 1 - HG LEU 117 - HD2 ARG 81 lone 1 47 - 2 - 5152/4.7=1 HB3 LYS 46 - HD2 ARG 81 lone 1 47 - 2 - HB2 GLU 75 - HD2 ARG 81 lone 1 35 - 3 - HG3 PRO 30 - HD2 ARG 81 lone 1 46 - 2 - HB2 ARG 53 - HD2 ARG 81 lone 1 40 - 2 - HB2 LEU 91 - HD2 ARG 81 lone 0 32 - 1 - HD2 LYS 109 - HD2 ARG 81 lone 0 47 - 1 - HD3 LYS 109 - HD2 ARG 81 lone 0 45 - 1 - Peak 3884 from cnoeabs.peaks (3.22, 3.22, 42.96 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 71 + HD2 ARG 71 OK 100 100 - 100 HD2 ARG 81 - HD2 ARG 81 OK 34 34 - 100 Peak 3885 from cnoeabs.peaks (3.19, 3.22, 42.96 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HD3 ARG 71 + HD2 ARG 71 OK 100 100 - 100 - 1.8=100 HD2 ARG 81 - HD2 ARG 71 OK 15 92 - 17 - 1.8/4158=2, ~4158=1, 2.9/8565=1 HD2 ARG 53 - HD2 ARG 71 OK 11 97 - 11 - 3163/3.0=1, 3861/3.6=1...(5) HA GLN 42 - HD2 ARG 71 poor 10 65 - 15 - 3.0/2828=2, 3.0/950=2...(5) HD3 ARG 71 - HD2 ARG 81 poor 7 48 - 15 - 4158/1.8=3, ~4158=1 HB3 PHE 83 - HD2 ARG 81 poor 4 30 - 13 - 1.8/4200=2, 3.0/4193=2...(5) HA GLN 42 - HD2 ARG 81 poor 3 25 - 12 - 3.0/2828=2, 3.0/950=1...(5) HB3 PHE 83 - HD2 ARG 71 lone 3 76 - 4 - HD2 ARG 53 - HD2 ARG 81 lone 1 44 - 2 - Peak 3886 from cnoeabs.peaks (9.10, 3.19, 42.96 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.94: * H ARG 71 + HD3 ARG 71 OK 93 100 - 93 - 6.2=39, 3854/3.6=30...(16) H ARG 71 + HD2 ARG 81 OK 12 56 - 22 - 3.0/3845=4, 8693=3...(9) Peak 3887 from cnoeabs.peaks (4.48, 3.19, 42.96 ppm; 3.86 A): 2 out of 14 assignments used, quality = 0.93: * HA ARG 71 + HD3 ARG 71 OK 91 100 - 91 - 4.7=54, 3844/1.8=25...(22) HA PRO 70 + HD3 ARG 71 OK 29 100 - 29 - 3.5/3886=18, 3847/3.6=4...(6) HA PRO 30 - HD3 ARG 71 OK 28 87 - 32 - 2.3/3888=5, 2364/3.0=4...(14) HA LEU 101 - HD3 ARG 71 OK 12 99 - 12 - 4.0/7703=3, 4.3/3151=1...(4) HA ARG 71 - HD2 ARG 81 OK 12 56 - 21 - 3845=5, 3.0/3853=3...(8) HA LEU 91 - HD3 ARG 71 lone 8 78 - 10 - 4374/3.6=2, 4374/3.0=1...(4) HA PRO 60 - HD3 ARG 71 lone 5 90 - 6 - 3847/3.6=1, 5696/6.2=1 HA PRO 70 - HD2 ARG 81 lone 3 56 - 6 - 3.5/3886=2 HA LEU 101 - HD2 ARG 81 lone 3 53 - 6 - 4.0/7703=1, 4772/4813=1 HA SER 90 - HD3 ARG 71 lone 2 83 - 3 - HA PRO 60 - HD2 ARG 81 lone 2 45 - 3 - HA PRO 30 - HD2 ARG 81 lone 1 43 - 2 - HA SER 90 - HD2 ARG 81 lone 1 40 - 2 - HA LEU 91 - HD2 ARG 81 lone 1 37 - 2 - Peak 3888 from cnoeabs.peaks (1.97, 3.19, 42.96 ppm; 3.65 A): 1 out of 34 assignments used, quality = 1.00: * HB2 ARG 71 + HD3 ARG 71 OK 100 100 - 100 - 3.6=100 HG LEU 45 - HD3 ARG 71 OK 31 100 - 31 - ~6032=5, ~6848=3...(15) HB3 PRO 30 - HD3 ARG 71 OK 29 68 - 43 - 2.3/3887=4, 3853=4...(27) HB2 ARG 71 - HD2 ARG 81 OK 12 56 - 21 - 3853=4, 3.6/3885=3...(9) HB2 LYS 46 - HD3 ARG 71 lone 6 73 - 9 - HG2 PRO 60 - HD3 ARG 71 lone 6 85 - 7 - 3840/4.7=2, 1108/6.2=1 HB2 LEU 41 - HD3 ARG 71 lone 5 98 - 5 - 4.2/950=1 HB2 LEU 41 - HD2 ARG 81 lone 4 52 - 7 - 4.2/950=1 HB2 LEU 55 - HD3 ARG 71 lone 3 65 - 5 - HB3 PRO 68 - HD3 ARG 71 lone 3 98 - 3 - HG2 PRO 68 - HD3 ARG 71 lone 3 99 - 3 - HB ILE 124 - HD2 ARG 81 lone 3 52 - 5 - HG LEU 114 - HD3 ARG 71 lone 2 99 - 2 - HB ILE 124 - HD3 ARG 71 lone 2 98 - 2 - HG LEU 45 - HD2 ARG 81 lone 2 56 - 4 - HG2 PRO 60 - HD2 ARG 81 lone 2 41 - 5 - HB3 GLN 103 - HD3 ARG 71 lone 2 98 - 2 - HG LEU 114 - HD2 ARG 81 lone 2 54 - 3 - HB2 LEU 55 - HD2 ARG 81 lone 2 30 - 5 - ~8295=1, 8294/2.9=1 HB3 GLU 94 - HD3 ARG 71 lone 1 83 - 1 - HB2 MET 11 - HD3 ARG 71 lone 1 96 - 1 - HB2 MET 11 - HD2 ARG 81 lone 1 50 - 2 - HB3 PRO 68 - HD2 ARG 81 lone 1 52 - 2 - HB2 GLU 94 - HD3 ARG 71 lone 1 73 - 1 - HB3 PRO 30 - HD2 ARG 81 lone 1 31 - 3 - HB2 LYS 46 - HD2 ARG 81 lone 1 34 - 3 - HB3 ARG 85 - HD3 ARG 71 lone 1 68 - 1 - HB2 ARG 85 - HD3 ARG 71 lone 1 68 - 1 - HG2 PRO 68 - HD2 ARG 81 lone 1 54 - 1 - HB3 GLN 103 - HD2 ARG 81 lone 0 52 - 1 - HB2 ARG 85 - HD2 ARG 81 lone 0 31 - 1 - HB3 ARG 85 - HD2 ARG 81 lone 0 31 - 1 - HB3 GLU 94 - HD2 ARG 81 lone 0 40 - 1 - HB2 GLU 94 - HD2 ARG 81 lone 0 34 - 1 - Peak 3889 from cnoeabs.peaks (1.73, 3.19, 42.96 ppm; 2.95 A): 3 out of 22 assignments used, quality = 0.99: HG2 ARG 71 + HD3 ARG 71 OK 91 92 - 99 - 3.0=99 * HB3 ARG 71 + HD3 ARG 71 OK 74 100 - 74 - 3.6=56, 4.0/3886=9...(16) HG3 ARG 71 + HD3 ARG 71 OK 62 63 - 99 - 3.0=99 HB2 ARG 53 - HD3 ARG 71 OK 17 95 - 18 - 3135=2, 3.0/3151=2...(8) HB2 LEU 45 - HD3 ARG 71 OK 15 71 - 22 - 6032/1.8=6, 6032=3...(7) HB2 LYS 31 - HD3 ARG 71 lone 10 100 - 10 - 3860/1.8=2, 3861=2, 3856/3.6=1 HG2 ARG 71 - HD2 ARG 81 poor 9 46 - 20 - 3.0/3885=3, 3869=2...(10) HB3 ARG 71 - HD2 ARG 81 poor 8 56 - 14 - 3.6/3885=2, 1.8/3853=2...(7) HB2 LEU 91 - HD3 ARG 71 lone 6 99 - 6 - HG3 ARG 71 - HD2 ARG 81 poor 6 28 - 20 - 3.0/3885=3, 3869=2...(10) HB3 LYS 46 - HD3 ARG 71 lone 4 76 - 5 - HB2 ARG 53 - HD2 ARG 81 lone 4 49 - 7 - HB3 LEU 55 - HD3 ARG 71 lone 3 97 - 3 - HB VAL 66 - HD2 ARG 81 lone 2 41 - 5 - ~7189=1 HB VAL 66 - HD3 ARG 71 lone 2 85 - 2 - HB3 LEU 55 - HD2 ARG 81 lone 2 51 - 4 - 8295/2.9=1 HB2 LYS 31 - HD2 ARG 81 lone 1 55 - 2 - HB3 LEU 77 - HD2 ARG 81 lone 1 43 - 2 - HB2 LEU 45 - HD2 ARG 81 lone 1 33 - 3 - HB2 LEU 91 - HD2 ARG 81 lone 1 54 - 1 - HB3 LEU 77 - HD3 ARG 71 lone 1 87 - 1 - HB3 LYS 46 - HD2 ARG 81 lone 1 36 - 1 - Peak 3890 from cnoeabs.peaks (1.74, 3.19, 42.96 ppm; 2.95 A): 3 out of 30 assignments used, quality = 1.00: * HG2 ARG 71 + HD3 ARG 71 OK 99 100 - 99 - 3.0=99 HG3 ARG 71 + HD3 ARG 71 OK 94 95 - 99 - 3.0=99 HB3 ARG 71 + HD3 ARG 71 OK 68 92 - 74 - 3.6=56, 4.0/3886=9...(16) HB2 LEU 45 - HD3 ARG 71 OK 24 97 - 25 - 6032/1.8=8, 6032=4...(7) HG3 PRO 30 - HD3 ARG 71 OK 20 83 - 24 - 2.3/3888=3, 3877=2...(9) HB2 ARG 53 - HD3 ARG 71 OK 18 100 - 18 - 3135=2, 3.0/3151=2...(8) HG2 GLN 42 - HD3 ARG 71 OK 16 90 - 18 - 2844/1.8=3, ~2852=2...(8) HG2 ARG 71 - HD2 ARG 81 OK 11 56 - 20 - 3.0/3885=3, 3869=2...(10) HG3 ARG 71 - HD2 ARG 81 poor 10 49 - 20 - 3.0/3885=3, 3877=2...(10) HB2 LYS 31 - HD3 ARG 71 lone 8 85 - 10 - 3860/1.8=2, 3861=2, 3856/3.6=1 HG2 GLN 42 - HD2 ARG 81 poor 7 45 - 16 - 1.8/2852=2, 8268/1.8=2...(8) HB3 ARG 71 - HD2 ARG 81 poor 6 46 - 13 - 3.6/3885=2, 1.8/3853=2...(7) HB3 LYS 46 - HD3 ARG 71 lone 6 99 - 6 - HB2 LEU 91 - HD3 ARG 71 lone 5 98 - 5 - HB2 ARG 53 - HD2 ARG 81 lone 4 56 - 7 - HB VAL 66 - HD2 ARG 81 lone 3 55 - 5 - ~7189=1 HB VAL 66 - HD3 ARG 71 lone 2 100 - 2 - HB3 LEU 55 - HD3 ARG 71 lone 2 68 - 3 - HB2 LEU 45 - HD2 ARG 81 lone 2 51 - 3 - HD2 LYS 109 - HD3 ARG 71 lone 1 85 - 1 - HG LEU 117 - HD3 ARG 71 lone 1 85 - 1 - HD3 LYS 109 - HD3 ARG 71 lone 1 78 - 1 - HB3 LYS 46 - HD2 ARG 81 lone 1 53 - 2 - HB3 LEU 55 - HD2 ARG 81 lone 1 31 - 3 - HG LEU 117 - HD2 ARG 81 lone 1 41 - 2 - HB2 LYS 31 - HD2 ARG 81 lone 1 41 - 2 - HB2 LEU 91 - HD2 ARG 81 lone 1 52 - 1 - HG3 PRO 30 - HD2 ARG 81 lone 1 40 - 2 - HD2 LYS 109 - HD2 ARG 81 lone 0 41 - 1 - HD3 LYS 109 - HD2 ARG 81 lone 0 37 - 1 - Peak 3891 from cnoeabs.peaks (1.76, 3.19, 42.96 ppm; 2.96 A): 3 out of 30 assignments used, quality = 1.00: * HG3 ARG 71 + HD3 ARG 71 OK 100 100 - 100 - 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 95 95 - 100 - 3.0=100 HB3 ARG 71 + HD3 ARG 71 OK 47 63 - 75 - 3.6=57, 4.0/3886=9...(16) HB2 LEU 45 - HD3 ARG 71 OK 26 100 - 26 - 6032/1.8=8, 6032=4...(7) HG3 PRO 30 - HD3 ARG 71 OK 25 99 - 25 - 2.3/3888=3, 3877=2...(10) HG2 GLN 42 - HD3 ARG 71 OK 18 100 - 18 - 2844/1.8=3, ~2852=2...(8) HB2 ARG 53 - HD3 ARG 71 OK 17 92 - 18 - 3.0/3151=2, 3135=2...(8) HG3 ARG 71 - HD2 ARG 81 OK 11 56 - 21 - 3.0/3885=3, 3877=2...(10) HG2 ARG 71 - HD2 ARG 81 OK 10 49 - 21 - 3.0/3885=3, 3869=2...(10) HG2 GLN 42 - HD2 ARG 81 poor 9 55 - 16 - 8268/1.8=2, 1.8/2852=2...(8) HB2 GLU 75 - HD3 ARG 71 lone 8 85 - 9 - 8335/6.2=4, 7319/4.7=2 HB3 LYS 46 - HD3 ARG 71 lone 6 100 - 6 - HB2 LEU 91 - HD3 ARG 71 lone 4 78 - 5 - HB3 ARG 71 - HD2 ARG 81 poor 4 28 - 13 - 3.6/3885=2, 1.8/3853=2...(8) HB2 ARG 53 - HD2 ARG 81 lone 3 46 - 7 - HB VAL 66 - HD2 ARG 81 lone 3 52 - 5 - ~7189=1 HB VAL 66 - HD3 ARG 71 lone 2 98 - 2 - HB2 LEU 45 - HD2 ARG 81 lone 2 55 - 3 - HB2 LEU 117 - HD2 ARG 81 lone 2 44 - 4 - 5138/4.7=1 HD2 LYS 109 - HD3 ARG 71 lone 1 99 - 1 - HD3 LYS 109 - HD3 ARG 71 lone 1 98 - 1 - HG LEU 117 - HD3 ARG 71 lone 1 99 - 1 - HG LEU 117 - HD2 ARG 81 lone 1 54 - 2 - 5152/4.7=1 HB2 LEU 117 - HD3 ARG 71 lone 1 89 - 1 - HB2 GLU 75 - HD2 ARG 81 lone 1 41 - 3 - HB3 LYS 46 - HD2 ARG 81 lone 1 55 - 2 - HG3 PRO 30 - HD2 ARG 81 lone 1 54 - 2 - HB2 LEU 91 - HD2 ARG 81 lone 0 37 - 1 - HD2 LYS 109 - HD2 ARG 81 lone 0 54 - 1 - HD3 LYS 109 - HD2 ARG 81 lone 0 52 - 1 - Peak 3892 from cnoeabs.peaks (3.22, 3.19, 42.96 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HD2 ARG 71 + HD3 ARG 71 OK 100 100 - 100 - 1.8=100 HA GLN 42 - HD3 ARG 71 OK 13 99 - 14 - 3860/3.6=1, 3852/3.6=1...(5) HD2 ARG 81 - HD3 ARG 71 OK 13 83 - 16 - 1.8/4158=3, ~4158=1, 3.5/4118=1 HD2 ARG 71 - HD2 ARG 81 poor 9 56 - 16 - 4158/1.8=2, ~4158=1, 8565/2.9=1 HA GLN 42 - HD2 ARG 81 lone 5 53 - 10 - 8565/2.9=1, 4158/1.8=1 HB3 PHE 83 - HD2 ARG 81 poor 5 50 - 10 - 1.8/4200=2, 3.0/4193=1...(4) HB3 TRP 20 - HD3 ARG 71 lone 3 100 - 3 - HB3 PHE 83 - HD3 ARG 71 lone 3 96 - 3 - HB3 TRP 20 - HD2 ARG 81 lone 1 55 - 2 - Peak 3893 from cnoeabs.peaks (3.19, 3.19, 42.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 71 + HD3 ARG 71 OK 100 100 - 100 HD2 ARG 81 + HD2 ARG 81 OK 46 46 - 100 Peak 3894 from cnoeabs.peaks (7.42, 4.72, 55.77 ppm; 5.51 A): 1 out of 6 assignments used, quality = 1.00: * H SER 72 + HA SER 72 OK 100 100 - 100 - 3.0=100 H GLU 75 - HA SER 72 OK 28 76 - 37 - 3902/3.0=9, 3898/3.0=9...(8) HE21 GLN 105 - HA SER 72 OK 11 99 - 11 - 1115=3, 3902/3.0=2...(5) HD21 ASN 79 - HA SER 72 lone 7 95 - 8 - 3902/3.0=2, 3898/3.0=1, ~669=1 H LYS 32 - HA SER 72 lone 6 99 - 6 - 3898/3.0=2, 3902/3.0=1, ~2485=1 H PHE 96 - HA SER 72 lone 2 68 - 3 - Peak 3895 from cnoeabs.peaks (4.72, 4.72, 55.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 72 + HA SER 72 OK 100 100 - 100 Peak 3896 from cnoeabs.peaks (3.77, 4.72, 55.77 ppm; 5.82 A): 1 out of 11 assignments used, quality = 1.00: * HB2 SER 72 + HA SER 72 OK 100 100 - 100 - 3.0=100 HD2 PRO 30 - HA SER 72 OK 43 97 - 44 - ~7286=8, 1116/3.0=7...(16) HB3 SER 74 - HA SER 72 OK 38 100 - 38 - 344/3.6=7, 4.6/3894=5...(11) HB2 SER 74 - HA SER 72 OK 37 99 - 38 - 344/3.6=6, 4.6/3894=5...(11) HA GLU 38 - HA SER 72 lone 8 87 - 9 - 344/3.6=2, 1116/3.0=1 HA CYS 87 - HA SER 72 lone 6 85 - 7 - 344/3.6=1 HA2 GLY 61 - HA SER 72 lone 4 87 - 4 - HB3 SER 13 - HA SER 72 lone 4 96 - 4 - HA LEU 54 - HA SER 72 lone 3 60 - 6 - 1119/3.6=2 HB3 SER 35 - HA SER 72 lone 3 87 - 3 - HB2 SER 90 - HA SER 72 lone 3 76 - 4 - Peak 3897 from cnoeabs.peaks (4.14, 4.72, 55.77 ppm; 6.20 A): 1 out of 13 assignments used, quality = 1.00: * HB3 SER 72 + HA SER 72 OK 100 100 - 100 - 3.0=100 HA PRO 37 - HA SER 72 OK 16 100 - 15 - ~7286=4, 345/3.6=3...(4) HA ILE 124 - HA SER 72 OK 11 100 - 11 - 345/3.6=3, 1117/3.0=2 HB3 SER 78 - HA SER 72 lone 9 96 - 9 - 1117/3.0=2, 3901/3.0=1 HA ILE 63 - HA SER 72 lone 8 100 - 8 - 345/3.6=2, 1117/3.0=1 HA ARG 57 - HA SER 72 poor 8 71 - 11 - 345/3.6=2, 1117/3.0=1 HA PHE 83 - HA SER 72 lone 6 98 - 6 - 345/3.6=1 HA GLU 28 - HA SER 72 lone 6 85 - 6 - 345/3.6=2 HA ALA 98 - HA SER 72 lone 5 100 - 5 - 345/3.6=1 HA SER 78 - HA SER 72 lone 5 60 - 9 - ~1117=1 HA ASN 108 - HA SER 72 lone 5 100 - 5 - HB2 SER 113 - HA SER 72 lone 5 93 - 5 - 1117/3.0=1 HA3 GLY 25 - HA SER 72 lone 2 71 - 3 - Peak 3898 from cnoeabs.peaks (7.42, 3.77, 66.71 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: * H SER 72 + HB2 SER 72 OK 100 100 - 100 - 3.9=100 H GLU 75 - HB2 SER 72 OK 29 76 - 39 - 4.7/7282=14, 3902/1.8=7...(8) H LYS 32 - HB2 SER 72 lone 8 99 - 8 - 4.0/7286=1, 3902/1.8=1 HE21 GLN 105 - HB2 SER 72 lone 6 99 - 6 - 1115/3.0=2, 3902/1.8=2, 1116=1 HD21 ASN 79 - HB2 SER 72 lone 5 95 - 5 - 3902/1.8=1, 3894/3.0=1 H PHE 96 - HB2 SER 72 lone 2 68 - 2 - Peak 3899 from cnoeabs.peaks (4.72, 3.77, 66.71 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 72 + HB2 SER 72 OK 100 100 - 100 - 3.0=100 HA ASN 12 - HB2 SER 72 lone 2 60 - 3 - Peak 3900 from cnoeabs.peaks (3.77, 3.77, 66.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 72 + HB2 SER 72 OK 100 100 - 100 Peak 3901 from cnoeabs.peaks (4.14, 3.77, 66.71 ppm; 3.18 A): 1 out of 13 assignments used, quality = 1.00: * HB3 SER 72 + HB2 SER 72 OK 100 100 - 100 - 1.8=100 HA PRO 37 - HB2 SER 72 lone 6 100 - 6 - 2.3/7286=2 HA ILE 124 - HB2 SER 72 lone 3 100 - 3 - HB3 SER 78 - HB2 SER 72 lone 3 96 - 3 - HA ILE 63 - HB2 SER 72 lone 2 100 - 2 - HA ARG 57 - HB2 SER 72 lone 2 71 - 3 - HA PHE 83 - HB2 SER 72 lone 2 98 - 2 - HA GLU 28 - HB2 SER 72 lone 2 85 - 2 - HB2 SER 113 - HB2 SER 72 lone 2 93 - 2 - HA SER 78 - HB2 SER 72 lone 1 60 - 2 - HA ALA 98 - HB2 SER 72 lone 1 100 - 1 - HA ASN 108 - HB2 SER 72 lone 1 100 - 1 - HA3 GLY 25 - HB2 SER 72 lone 0 71 - 1 - Peak 3902 from cnoeabs.peaks (7.42, 4.14, 66.71 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * H SER 72 + HB3 SER 72 OK 100 100 - 100 - 3.9=100 H GLU 75 - HB3 SER 72 OK 31 76 - 41 - 4.7/7281=15, 3898/1.8=8...(8) HE21 GLN 105 - HB3 SER 72 lone 6 99 - 6 - 1115/3.0=2, 3898/1.8=2, 1117=2 HD21 ASN 79 - HB3 SER 72 lone 6 95 - 6 - 3898/1.8=1, 3894/3.0=1 H LYS 32 - HB3 SER 72 lone 5 99 - 5 - 3898/1.8=2 H PHE 96 - HB3 SER 72 lone 2 68 - 3 - Peak 3903 from cnoeabs.peaks (4.72, 4.14, 66.71 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 72 + HB3 SER 72 OK 100 100 - 100 - 3.0=100 HA ASN 12 - HB3 SER 72 lone 1 60 - 2 - Peak 3904 from cnoeabs.peaks (3.77, 4.14, 66.71 ppm; 3.18 A): 1 out of 11 assignments used, quality = 1.00: * HB2 SER 72 + HB3 SER 72 OK 100 100 - 100 - 1.8=100 HB3 SER 74 - HB3 SER 72 OK 17 100 - 17 - 4.0/7281=8, 4.6/3902=2...(8) HB2 SER 74 - HB3 SER 72 OK 17 99 - 17 - 4.0/7281=8, 4.6/3902=2...(8) HD2 PRO 30 - HB3 SER 72 OK 12 97 - 12 - ~7286=3, 1116/3.9=2...(5) HA GLU 38 - HB3 SER 72 lone 3 87 - 3 - HA CYS 87 - HB3 SER 72 lone 2 85 - 2 - HA2 GLY 61 - HB3 SER 72 lone 2 87 - 2 - HA LEU 54 - HB3 SER 72 lone 1 60 - 2 - HB3 SER 13 - HB3 SER 72 lone 1 96 - 1 - HB2 SER 90 - HB3 SER 72 lone 1 76 - 1 - HB3 SER 35 - HB3 SER 72 lone 1 87 - 1 - Peak 3905 from cnoeabs.peaks (4.14, 4.14, 66.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 72 + HB3 SER 72 OK 100 100 - 100 Peak 3906 from cnoeabs.peaks (9.17, 3.74, 59.68 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 73 + HA GLU 73 OK 100 100 - 100 - 3.0=100 Peak 3907 from cnoeabs.peaks (3.74, 3.74, 59.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 73 + HA GLU 73 OK 100 100 - 100 Peak 3908 from cnoeabs.peaks (2.19, 3.74, 59.68 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 73 + HA GLU 73 OK 100 100 - 100 - 3.0=100 HB VAL 26 - HA GLU 73 OK 26 100 - 26 - 2.1/6506=5, 2.1/6510=5...(12) HG12 ILE 80 - HA GLU 73 OK 22 65 - 34 - 3913=5, 3.0/3909=4...(19) HG2 PRO 37 - HA GLU 73 OK 11 96 - 11 - 1120/3.0=1, 3920/3.0=1 HB3 PRO 37 - HA GLU 73 poor 9 71 - 13 - 3.9/6084=3 HB VAL 49 - HA GLU 73 lone 8 100 - 7 - 3920/3.0=1 Peak 3909 from cnoeabs.peaks (1.91, 3.74, 59.68 ppm; 3.85 A): 1 out of 17 assignments used, quality = 1.00: * HB3 GLU 73 + HA GLU 73 OK 100 100 - 100 - 3.0=100 HB2 ARG 81 - HA GLU 73 OK 32 100 - 33 - 3919=5, 3918/3.0=4...(11) HB ILE 80 - HA GLU 73 OK 32 97 - 33 - 3.0/3908=4, 1121/3.0=3...(16) HB ILE 22 - HA GLU 73 OK 18 100 - 18 - 2151/4.1=2, 2151/4.1=2...(6) HB2 GLU 28 - HA GLU 73 lone 8 99 - 8 - 3.8/6084=2 HB2 LEU 21 - HA GLU 73 lone 7 92 - 8 - 3.1/6420=2 HB VAL 50 - HA GLU 73 lone 6 68 - 9 - ~8739=2, ~8535=1...(4) HB2 LEU 84 - HA GLU 73 lone 5 99 - 5 - HG LEU 58 - HA GLU 73 lone 4 81 - 5 - 5.0/7069=1 HG LEU 55 - HA GLU 73 lone 3 65 - 5 - 4.7/244=1, 2.1/7014=1 HG LEU 84 - HA GLU 73 lone 3 76 - 4 - HB2 LYS 109 - HA GLU 73 lone 3 68 - 4 - HB3 LYS 31 - HA GLU 73 lone 2 68 - 3 - HB3 MET 11 - HA GLU 73 lone 2 100 - 2 - HB3 GLU 64 - HA GLU 73 lone 1 73 - 2 - HB2 GLU 64 - HA GLU 73 lone 1 68 - 2 - HB2 LYS 119 - HA GLU 73 lone 1 68 - 2 - Peak 3910 from cnoeabs.peaks (1.84, 3.74, 59.68 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.98: * HG2 GLU 73 + HA GLU 73 OK 86 100 - 86 - 4.1=75, 3922/3.0=11...(9) HG3 GLU 73 + HA GLU 73 OK 86 100 - 86 - 4.1=75, 3922/3.0=11...(9) HG2 GLU 75 - HA GLU 73 OK 12 71 - 17 - 5.1/1643=4, ~7439=2...(7) HG3 ARG 53 - HA GLU 73 OK 12 97 - 12 - 3.0/6082=2, 3916/3.0=1, ~6973=1 HG12 ILE 22 - HA GLU 73 OK 11 98 - 12 - 2.9/3909=2, 2163/3.0=2...(4) HB3 ARG 57 - HA GLU 73 OK 10 68 - 15 - 3.5/6082=2, 6076=2...(5) HG LEU 41 - HA GLU 73 lone 8 99 - 8 - 3.0/6008=1, 3.0/6006=1 HG13 ILE 63 - HA GLU 73 lone 4 87 - 4 - HB2 GLU 69 - HA GLU 73 lone 3 100 - 3 - HB3 GLN 105 - HA GLU 73 lone 2 83 - 3 - HB3 LYS 109 - HA GLU 73 lone 1 68 - 2 - Peak 3911 from cnoeabs.peaks (1.84, 3.74, 59.68 ppm; 3.72 A): 2 out of 13 assignments used, quality = 0.98: * HG3 GLU 73 + HA GLU 73 OK 86 100 - 86 - 4.1=75, 3922/3.0=11...(9) HG2 GLU 73 + HA GLU 73 OK 86 100 - 86 - 4.1=75, 3922/3.0=11...(9) HG3 ARG 53 - HA GLU 73 OK 11 96 - 12 - 3.0/6082=2, 3916/3.0=1, ~6973=1 HG12 ILE 22 - HA GLU 73 OK 11 99 - 12 - 2.9/3909=2, 2163/3.0=2...(4) HG2 GLU 75 - HA GLU 73 OK 11 68 - 17 - 5.1/1643=4, ~7439=2...(7) HB3 ARG 57 - HA GLU 73 poor 10 65 - 15 - 3.5/6082=2, 6076=2...(5) HG LEU 41 - HA GLU 73 lone 8 99 - 8 - 3.0/6008=1, 3.0/6006=1 HB3 GLU 28 - HA GLU 73 lone 4 60 - 7 - 3.8/6084=1, 1.8/3909=1 HG13 ILE 63 - HA GLU 73 lone 4 85 - 4 - HB2 GLU 69 - HA GLU 73 lone 2 99 - 2 - HB3 GLN 105 - HA GLU 73 lone 2 81 - 3 - HB3 LYS 109 - HA GLU 73 lone 2 71 - 2 - HG3 PRO 68 - HA GLU 73 lone 1 60 - 1 - Peak 3912 from cnoeabs.peaks (9.17, 2.19, 29.69 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 73 + HB2 GLU 73 OK 100 100 - 100 - 4.1=100 H GLU 73 - HG12 ILE 80 OK 17 65 - 26 - 1120=5, 3.0/3908=5...(10) Peak 3913 from cnoeabs.peaks (3.74, 2.19, 29.69 ppm; 3.90 A): 1 out of 20 assignments used, quality = 1.00: * HA GLU 73 + HB2 GLU 73 OK 100 100 - 100 - 3.0=100 HA GLU 73 - HG12 ILE 80 OK 24 65 - 36 - 3908=6, 3909/3.0=4...(19) HA LEU 54 - HB2 GLU 73 OK 19 100 - 19 - 3919/1.8=4, 1119/4.1=2...(9) HA LEU 54 - HG12 ILE 80 OK 13 64 - 20 - 3181/2.1=6, 3181/3.2=4...(5) HA GLU 38 - HB2 GLU 73 OK 12 92 - 13 - 3919/1.8=2, ~6084=2...(5) HD2 PRO 30 - HG12 ILE 80 poor 6 42 - 14 - ~7417=2, ~8456=1...(5) HA CYS 87 - HB2 GLU 73 lone 5 93 - 5 - HB3 SER 90 - HB2 GLU 73 lone 4 97 - 4 - HD2 PRO 30 - HB2 GLU 73 lone 4 76 - 5 - HB3 SER 13 - HB2 GLU 73 lone 3 81 - 3 - HA3 GLY 86 - HB2 GLU 73 lone 2 78 - 3 - HB3 SER 35 - HB2 GLU 73 lone 2 92 - 2 - HA GLU 38 - HG12 ILE 80 lone 2 54 - 3 - HA CYS 87 - HG12 ILE 80 lone 1 56 - 2 - HB3 SER 35 - HG12 ILE 80 lone 1 54 - 2 - HA2 GLY 104 - HB2 GLU 73 lone 1 60 - 1 - HA3 GLY 86 - HG12 ILE 80 lone 1 44 - 2 - HB3 SER 13 - HG12 ILE 80 lone 1 45 - 1 - HB3 SER 90 - HG12 ILE 80 lone 1 60 - 1 - HA2 GLY 104 - HG12 ILE 80 lone 0 32 - 2 - Peak 3914 from cnoeabs.peaks (2.19, 2.19, 29.69 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 73 + HB2 GLU 73 OK 100 100 - 100 HG12 ILE 80 - HG12 ILE 80 OK 35 35 - 100 Peak 3915 from cnoeabs.peaks (1.91, 2.19, 29.69 ppm; 3.41 A): 2 out of 34 assignments used, quality = 1.00: * HB3 GLU 73 + HB2 GLU 73 OK 100 100 - 100 - 1.8=100 HB ILE 80 + HG12 ILE 80 OK 59 59 - 100 - 3.0=100 HB2 ARG 81 - HB2 GLU 73 OK 31 100 - 31 - 3920=6, 3909/3.0=3...(18) HB ILE 80 - HB2 GLU 73 OK 27 97 - 28 - 3909/3.0=3, ~7438=2...(19) HB2 ARG 81 - HG12 ILE 80 OK 19 65 - 30 - ~7409=4, 7438/2.1=4...(13) HB3 GLU 73 - HG12 ILE 80 OK 19 65 - 30 - 3920=4, 3.0/3908=3...(17) HB ILE 22 - HB2 GLU 73 OK 19 100 - 19 - 2151/2.9=2, 2151/2.9=2...(7) HB2 LEU 84 - HG12 ILE 80 OK 19 62 - 30 - ~8356=4, ~8359=4...(11) HG LEU 84 - HG12 ILE 80 OK 15 42 - 36 - ~8356=6, 8359/2.1=6...(11) HB2 LEU 21 - HG12 ILE 80 OK 13 54 - 24 - ~8344=5, 4099/2.1=3...(10) HG LEU 58 - HG12 ILE 80 OK 11 45 - 24 - ~7063=4, ~8347=3...(10) HB ILE 22 - HG12 ILE 80 poor 8 65 - 13 - 6432/2.1=3, 6432/3.2=3 HB VAL 50 - HB2 GLU 73 poor 8 68 - 12 - 2.1/8535=2, 2.1/6923=2...(4) HB VAL 50 - HG12 ILE 80 poor 7 37 - 19 - ~7419=4, 2.1/8535=3...(8) HB2 LEU 21 - HB2 GLU 73 lone 7 92 - 7 - HB2 LYS 119 - HG12 ILE 80 poor 6 37 - 17 - 8457/2.1=3, 8457/3.2=3...(8) HB2 GLU 28 - HB2 GLU 73 lone 6 99 - 5 - HB2 LEU 84 - HB2 GLU 73 lone 3 99 - 4 - HB2 GLU 28 - HG12 ILE 80 lone 3 63 - 5 - HG LEU 58 - HB2 GLU 73 lone 2 81 - 3 - HG LEU 84 - HB2 GLU 73 lone 2 76 - 3 - HB2 LYS 109 - HG12 ILE 80 lone 2 37 - 6 - ~7412=1 HB2 LYS 109 - HB2 GLU 73 lone 2 68 - 3 - HG LEU 55 - HB2 GLU 73 lone 2 65 - 3 - HB3 MET 11 - HB2 GLU 73 lone 2 100 - 2 - HG LEU 55 - HG12 ILE 80 lone 2 35 - 5 - HB3 MET 11 - HG12 ILE 80 lone 2 64 - 3 - HB3 GLU 64 - HG12 ILE 80 lone 2 40 - 4 - HB2 GLU 64 - HG12 ILE 80 lone 2 37 - 4 - HB3 LYS 31 - HB2 GLU 73 lone 1 68 - 2 - HB3 GLU 64 - HB2 GLU 73 lone 1 73 - 1 - HB2 GLU 64 - HB2 GLU 73 lone 1 68 - 1 - HB2 LYS 119 - HB2 GLU 73 lone 1 68 - 1 - HB3 LYS 31 - HG12 ILE 80 lone 0 37 - 1 - Peak 3916 from cnoeabs.peaks (1.84, 2.19, 29.69 ppm; 3.69 A): 2 out of 22 assignments used, quality = 1.00: * HG2 GLU 73 + HB2 GLU 73 OK 100 100 - 100 - 2.9=100 HG3 GLU 73 + HB2 GLU 73 OK 100 100 - 100 - 2.9=100 HG2 GLU 73 - HG12 ILE 80 OK 18 65 - 28 - 4.1/3908=3, 2.9/3920=2...(15) HG3 GLU 73 - HG12 ILE 80 OK 18 65 - 28 - 4.1/3908=3, 2.9/3920=2...(15) HG12 ILE 22 - HB2 GLU 73 OK 16 98 - 17 - 2163/1.8=2, ~2172=2...(8) HG3 ARG 53 - HB2 GLU 73 OK 15 97 - 16 - 3.0/6973=3, 3.0/8432=2...(6) HB2 GLU 69 - HG12 ILE 80 OK 15 64 - 23 - ~4094=2, 3768/3.0=2...(13) HG2 GLU 75 - HB2 GLU 73 OK 12 71 - 18 - ~7439=3, 1.8/8738=2...(7) HG LEU 41 - HG12 ILE 80 poor 8 63 - 13 - 2799/4.0=3, 2803/1.8=2...(6) HG LEU 41 - HB2 GLU 73 lone 8 99 - 8 - HB3 ARG 57 - HB2 GLU 73 poor 7 68 - 10 - 6076/3.0=1 HG12 ILE 22 - HG12 ILE 80 lone 5 61 - 9 - ~6432=2 HG13 ILE 63 - HB2 GLU 73 lone 5 87 - 5 - HG3 ARG 53 - HG12 ILE 80 lone 3 59 - 5 - HB2 GLU 69 - HB2 GLU 73 lone 3 100 - 3 - HB3 GLN 105 - HB2 GLU 73 lone 2 83 - 3 - HB3 LYS 109 - HG12 ILE 80 lone 2 37 - 5 - ~7412=1 HG13 ILE 63 - HG12 ILE 80 lone 2 50 - 4 - HB3 LYS 109 - HB2 GLU 73 lone 2 68 - 2 - HG2 GLU 75 - HG12 ILE 80 lone 1 39 - 3 - ~7420=1 HB3 ARG 57 - HG12 ILE 80 lone 1 37 - 4 - HB3 GLN 105 - HG12 ILE 80 lone 1 47 - 2 - Peak 3917 from cnoeabs.peaks (1.84, 2.19, 29.69 ppm; 3.69 A): 2 out of 26 assignments used, quality = 1.00: * HG3 GLU 73 + HB2 GLU 73 OK 100 100 - 100 - 2.9=100 HG2 GLU 73 + HB2 GLU 73 OK 100 100 - 100 - 2.9=100 HG3 GLU 73 - HG12 ILE 80 OK 18 65 - 28 - 4.1/3908=3, 2.9/3920=2...(15) HG2 GLU 73 - HG12 ILE 80 OK 18 65 - 28 - 4.1/3908=3, 2.9/3920=2...(15) HG12 ILE 22 - HB2 GLU 73 OK 16 99 - 17 - 2163/1.8=2, ~2172=2...(8) HG3 ARG 53 - HB2 GLU 73 OK 15 96 - 16 - 3.0/6973=3, 3.0/8432=2...(6) HB2 GLU 69 - HG12 ILE 80 OK 14 63 - 23 - ~4094=2, 3768/3.0=2...(13) HG2 GLU 75 - HB2 GLU 73 OK 12 68 - 18 - ~7439=3, 1.8/8738=2...(7) HG LEU 41 - HB2 GLU 73 lone 8 99 - 8 - HG LEU 41 - HG12 ILE 80 poor 8 63 - 13 - 2799/4.0=3, 2803/1.8=2...(6) HB3 ARG 57 - HB2 GLU 73 poor 7 65 - 10 - 6076/3.0=1 HG12 ILE 22 - HG12 ILE 80 lone 5 62 - 9 - ~6432=2 HG13 ILE 63 - HB2 GLU 73 lone 4 85 - 5 - HB3 GLU 28 - HB2 GLU 73 lone 3 60 - 5 - HG3 ARG 53 - HG12 ILE 80 lone 3 58 - 5 - HB2 GLU 69 - HB2 GLU 73 lone 3 99 - 3 - HB3 GLN 105 - HB2 GLU 73 lone 2 81 - 3 - HB3 LYS 109 - HG12 ILE 80 lone 2 39 - 5 - ~7412=1 HB3 LYS 109 - HB2 GLU 73 lone 2 71 - 2 - HG13 ILE 63 - HG12 ILE 80 lone 2 49 - 4 - HB3 GLU 28 - HG12 ILE 80 lone 1 32 - 5 - HG2 GLU 75 - HG12 ILE 80 lone 1 37 - 3 - ~7420=1 HB3 ARG 57 - HG12 ILE 80 lone 1 35 - 3 - HG3 PRO 68 - HB2 GLU 73 lone 1 60 - 1 - HB3 GLN 105 - HG12 ILE 80 lone 1 45 - 2 - HG3 PRO 68 - HG12 ILE 80 lone 0 32 - 1 - Peak 3918 from cnoeabs.peaks (9.17, 1.91, 29.69 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 73 + HB3 GLU 73 OK 100 100 - 100 - 4.1=100 H GLU 73 - HB2 ARG 81 OK 23 99 - 24 - 1121=6, 3.0/3919=6...(7) Peak 3919 from cnoeabs.peaks (3.74, 1.91, 29.69 ppm; 4.38 A): 1 out of 20 assignments used, quality = 1.00: * HA GLU 73 + HB3 GLU 73 OK 100 100 - 100 - 3.0=100 HA GLU 73 - HB2 ARG 81 OK 40 99 - 40 - 3909=7, 3.0/3918=6...(19) HA LEU 54 - HB3 GLU 73 OK 29 100 - 29 - 3913/1.8=4, 4.0/7439=4...(13) HA GLU 38 - HB3 GLU 73 OK 15 92 - 17 - 3913/1.8=3, ~6084=2...(6) HA GLU 38 - HB2 ARG 81 OK 11 90 - 12 - 6720/5.0=2, 2702/1.8=1 HA LEU 54 - HB2 ARG 81 lone 8 99 - 8 - 4.0/7439=1 HA CYS 87 - HB3 GLU 73 lone 7 93 - 8 - 3913/1.8=1 HB3 SER 90 - HB3 GLU 73 lone 6 97 - 6 - HD2 PRO 30 - HB3 GLU 73 lone 6 76 - 7 - HA CYS 87 - HB2 ARG 81 lone 4 91 - 4 - HA3 GLY 86 - HB3 GLU 73 lone 3 78 - 4 - HB3 SER 13 - HB3 GLU 73 lone 3 81 - 4 - HB3 SER 35 - HB3 GLU 73 lone 3 92 - 3 - HD2 PRO 30 - HB2 ARG 81 lone 3 74 - 4 - HB3 SER 90 - HB2 ARG 81 lone 2 96 - 3 - HA3 GLY 86 - HB2 ARG 81 lone 2 76 - 3 - HB3 SER 13 - HB2 ARG 81 lone 2 79 - 2 - HB3 SER 35 - HB2 ARG 81 lone 1 90 - 1 - HA2 GLY 104 - HB3 GLU 73 lone 1 60 - 2 - HA2 GLY 104 - HB2 ARG 81 lone 1 58 - 1 - Peak 3920 from cnoeabs.peaks (2.19, 1.91, 29.69 ppm; 3.05 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 73 + HB3 GLU 73 OK 100 100 - 100 - 1.8=100 HB2 GLU 73 - HB2 ARG 81 OK 24 99 - 24 - 3915=3, 3.0/3909=3...(9) HB VAL 26 - HB3 GLU 73 OK 17 100 - 17 - 3908/3.0=3, 2.1/8211=2...(8) HG12 ILE 80 - HB3 GLU 73 OK 15 65 - 24 - 3908/3.0=2, 2.1/7438=2...(14) HG12 ILE 80 - HB2 ARG 81 OK 15 64 - 23 - ~7409=3, 387/4.0=3...(10) HG2 PRO 37 - HB3 GLU 73 lone 8 96 - 8 - 3908/3.0=1 HB VAL 26 - HB2 ARG 81 lone 8 99 - 8 - 2.1/8211=1 HB VAL 49 - HB3 GLU 73 lone 6 100 - 6 - HB3 PRO 37 - HB3 GLU 73 lone 6 71 - 8 - 3908/3.0=1 HG2 PRO 37 - HB2 ARG 81 lone 6 94 - 6 - HB3 PRO 37 - HB2 ARG 81 lone 4 69 - 6 - HB VAL 49 - HB2 ARG 81 lone 3 99 - 3 - Peak 3921 from cnoeabs.peaks (1.91, 1.91, 29.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 73 + HB3 GLU 73 OK 100 100 - 100 HB2 ARG 81 + HB2 ARG 81 OK 99 99 - 100 Peak 3922 from cnoeabs.peaks (1.84, 1.91, 29.69 ppm; 2.40 A): 6 out of 22 assignments used, quality = 0.91: * HG2 GLU 73 + HB3 GLU 73 OK 60 100 - 60 - 2.9=55, 3910/3.0=4...(6) HG3 GLU 73 + HB3 GLU 73 OK 60 100 - 60 - 2.9=55, 3910/3.0=4...(6) HG13 ILE 63 + HB2 ARG 81 OK 18 85 - 21 - 3.0/4115=2, 1.8/4117=1...(7) HB3 ARG 57 + HB2 ARG 81 OK 17 66 - 26 - 1.8/4115=3, 3.5/4119=2...(4) HG2 GLU 73 + HB2 ARG 81 OK 10 99 - 10 - 2.9/3920=2, 3933=1, 4.1/3909=1 HG3 GLU 73 + HB2 ARG 81 OK 10 99 - 10 - 2.9/3920=2, 3933=1, 4.1/3909=1 HG12 ILE 22 - HB3 GLU 73 lone 8 98 - 8 - HG3 ARG 53 - HB3 GLU 73 lone 5 97 - 5 - HG2 GLU 75 - HB3 GLU 73 lone 4 71 - 6 - 1.8/7439=1 HG LEU 41 - HB3 GLU 73 lone 3 99 - 3 - HG3 ARG 53 - HB2 ARG 81 lone 3 95 - 3 - HG12 ILE 22 - HB2 ARG 81 lone 2 97 - 3 - HB3 ARG 57 - HB3 GLU 73 lone 2 68 - 3 - HG13 ILE 63 - HB3 GLU 73 lone 2 87 - 2 - HG LEU 41 - HB2 ARG 81 lone 1 98 - 1 - HB2 GLU 69 - HB3 GLU 73 lone 1 100 - 1 - HB3 LYS 109 - HB3 GLU 73 lone 1 68 - 1 - HG2 GLU 75 - HB2 ARG 81 lone 1 69 - 1 - HB3 GLN 105 - HB2 ARG 81 lone 1 81 - 1 - HB3 GLN 105 - HB3 GLU 73 lone 1 83 - 1 - HB3 LYS 109 - HB2 ARG 81 lone 0 66 - 1 - HB2 GLU 69 - HB2 ARG 81 lone 0 99 - 0 - Peak 3923 from cnoeabs.peaks (1.84, 1.91, 29.69 ppm; 2.40 A): 6 out of 26 assignments used, quality = 0.91: * HG3 GLU 73 + HB3 GLU 73 OK 60 100 - 60 - 2.9=55, 3910/3.0=4...(6) HG2 GLU 73 + HB3 GLU 73 OK 60 100 - 60 - 2.9=55, 3910/3.0=4...(6) HG13 ILE 63 + HB2 ARG 81 OK 17 83 - 21 - 3.0/4115=2, 1.8/4117=1...(5) HB3 ARG 57 + HB2 ARG 81 OK 16 64 - 26 - 1.8/4115=3, 3.5/4119=2...(4) HG2 GLU 73 + HB2 ARG 81 OK 10 99 - 10 - 2.9/3920=2, 3933=1, 4.1/3909=1 HG3 GLU 73 + HB2 ARG 81 OK 10 99 - 10 - 2.9/3920=2, 3933=1, 4.1/3909=1 HG12 ILE 22 - HB3 GLU 73 lone 8 99 - 8 - HG3 ARG 53 - HB3 GLU 73 lone 5 96 - 5 - HG2 GLU 75 - HB3 GLU 73 lone 4 68 - 6 - 1.8/7439=1 HG LEU 41 - HB3 GLU 73 lone 3 99 - 3 - HG12 ILE 22 - HB2 ARG 81 lone 3 97 - 3 - HG3 ARG 53 - HB2 ARG 81 lone 2 94 - 3 - HB3 ARG 57 - HB3 GLU 73 lone 2 65 - 3 - HB3 GLU 28 - HB2 ARG 81 lone 2 58 - 4 - HG13 ILE 63 - HB3 GLU 73 lone 2 85 - 2 - HB3 GLU 28 - HB3 GLU 73 lone 1 60 - 2 - HG LEU 41 - HB2 ARG 81 lone 1 98 - 1 - HB2 GLU 69 - HB3 GLU 73 lone 1 99 - 1 - HB3 LYS 109 - HB3 GLU 73 lone 1 71 - 1 - HG2 GLU 75 - HB2 ARG 81 lone 1 66 - 1 - HB3 GLN 105 - HB2 ARG 81 lone 1 79 - 1 - HB3 GLN 105 - HB3 GLU 73 lone 1 81 - 1 - HB3 LYS 109 - HB2 ARG 81 lone 0 69 - 1 - HB2 GLU 69 - HB2 ARG 81 lone 0 98 - 0 - HG3 PRO 68 - HB2 ARG 81 lone 0 58 - 0 - HG3 PRO 68 - HB3 GLU 73 lone 0 60 - 0 - Peak 3925 from cnoeabs.peaks (3.74, 1.84, 35.91 ppm; 4.21 A): 2 out of 30 assignments used, quality = 1.00: * HA GLU 73 + HG2 GLU 73 OK 100 100 - 100 - 4.1=100 HA GLU 73 + HG3 GLU 73 OK 100 100 - 100 - 4.1=100 HA LEU 54 - HG2 GLU 73 OK 19 100 - 19 - 3919/2.9=3, 3913/2.9=3...(9) HA LEU 54 - HG3 GLU 73 OK 19 100 - 19 - 3919/2.9=3, 3913/2.9=3...(9) HA LEU 54 - HG2 GLU 75 OK 15 68 - 23 - 3183/1.8=5, ~3197=3...(8) HA GLU 73 - HG2 GLU 75 OK 15 69 - 21 - 1643/5.1=6, ~7439=3...(8) HA GLU 38 - HG2 GLU 75 OK 11 58 - 20 - 6707/3.0=4, 1643/5.1=4...(7) HA GLU 38 - HG2 GLU 73 OK 10 92 - 11 - 3913/2.9=2, 3919/2.9=2...(4) HA GLU 38 - HG3 GLU 73 OK 10 92 - 11 - 3913/2.9=2, 3919/2.9=2...(4) HA CYS 87 - HG2 GLU 73 lone 5 93 - 5 - HA CYS 87 - HG3 GLU 73 lone 5 93 - 5 - HD2 PRO 30 - HG2 GLU 75 poor 5 45 - 10 - 1643/5.1=2, ~3974=1 HD2 PRO 30 - HG3 GLU 73 lone 4 76 - 5 - HD2 PRO 30 - HG2 GLU 73 lone 4 76 - 5 - HB3 SER 90 - HG2 GLU 73 lone 4 97 - 4 - HB3 SER 90 - HG3 GLU 73 lone 4 97 - 4 - HA CYS 87 - HG2 GLU 75 lone 3 59 - 5 - HB3 SER 13 - HG3 GLU 73 lone 3 81 - 3 - HB3 SER 13 - HG2 GLU 73 lone 3 81 - 3 - HB3 SER 90 - HG2 GLU 75 lone 3 64 - 4 - 7577/3.0=1 HB3 SER 35 - HG2 GLU 73 lone 2 92 - 2 - HB3 SER 35 - HG3 GLU 73 lone 2 92 - 2 - HA3 GLY 86 - HG2 GLU 73 lone 2 78 - 3 - HA3 GLY 86 - HG3 GLU 73 lone 2 78 - 3 - HA3 GLY 86 - HG2 GLU 75 lone 1 47 - 3 - HA2 GLY 104 - HG2 GLU 73 lone 1 60 - 2 - HA2 GLY 104 - HG3 GLU 73 lone 1 60 - 2 - HB3 SER 13 - HG2 GLU 75 lone 1 49 - 2 - HB3 SER 35 - HG2 GLU 75 lone 1 58 - 1 - HA2 GLY 104 - HG2 GLU 75 lone 1 34 - 2 - 3.6/1298=1 Peak 3926 from cnoeabs.peaks (2.19, 1.84, 35.91 ppm; 4.25 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 73 + HG2 GLU 73 OK 100 100 - 100 - 2.9=100 HB2 GLU 73 + HG3 GLU 73 OK 100 100 - 100 - 2.9=100 HG12 ILE 80 - HG2 GLU 73 OK 24 65 - 36 - 3908/4.1=3, 3920/2.9=3...(22) HG12 ILE 80 - HG3 GLU 73 OK 23 65 - 36 - 3908/4.1=3, 3920/2.9=3...(22) HB VAL 26 - HG2 GLU 73 OK 22 100 - 22 - 3908/4.1=4, 3920/2.9=3...(8) HB VAL 26 - HG3 GLU 73 OK 22 100 - 22 - 3908/4.1=4, 3920/2.9=3...(8) HG2 PRO 37 - HG2 GLU 75 OK 20 62 - 32 - 6682/3.0=5, 2686/3.0=3...(16) HB2 GLU 73 - HG2 GLU 75 OK 16 69 - 23 - ~7439=4, 8738/1.8=3...(11) HB3 PRO 37 - HG2 GLU 75 OK 13 42 - 32 - ~6678=3, ~3974=3...(17) HG2 PRO 37 - HG3 GLU 73 OK 11 96 - 12 - 3908/4.1=2, 3920/2.9=2...(4) HG2 PRO 37 - HG2 GLU 73 OK 11 96 - 12 - 3908/4.1=2, 3920/2.9=2...(4) HB VAL 49 - HG2 GLU 73 OK 11 100 - 11 - 2.1/6903=2, 3920/2.9=1...(5) HB VAL 49 - HG3 GLU 73 OK 11 100 - 11 - 2.1/6903=2, 3920/2.9=1...(5) HB3 PRO 37 - HG2 GLU 73 poor 8 71 - 11 - 3908/4.1=1, 3920/2.9=1 HB3 PRO 37 - HG3 GLU 73 poor 8 71 - 11 - 3908/4.1=1, 3920/2.9=1 HB VAL 49 - HG2 GLU 75 lone 6 69 - 9 - ~8494=3, 2.1/6903=2, ~6901=2 HB VAL 26 - HG2 GLU 75 lone 2 68 - 4 - HG12 ILE 80 - HG2 GLU 75 lone 2 38 - 5 - ~7420=2 Peak 3927 from cnoeabs.peaks (1.91, 1.84, 35.91 ppm; 3.14 A): 2 out of 51 assignments used, quality = 1.00: * HB3 GLU 73 + HG2 GLU 73 OK 100 100 - 100 - 2.9=100 HB3 GLU 73 + HG3 GLU 73 OK 100 100 - 100 - 2.9=100 HB ILE 22 - HG3 GLU 73 OK 24 100 - 24 - 2151=3, 2151/1.8=3...(11) HB ILE 22 - HG2 GLU 73 OK 24 100 - 24 - 2151=3, 2151/1.8=3...(11) HB2 ARG 81 - HG2 GLU 73 OK 20 100 - 21 - 3920/2.9=3, 3922=2...(7) HB2 ARG 81 - HG3 GLU 73 OK 20 100 - 21 - 3920/2.9=3, 3922=2...(7) HB ILE 80 - HG2 GLU 73 OK 19 97 - 19 - 3909/4.1=2, 4073/2.9=2...(6) HB ILE 80 - HG3 GLU 73 OK 19 97 - 19 - 3909/4.1=2, 4073/2.9=2...(6) HB3 GLU 73 - HG2 GLU 75 poor 9 69 - 13 - 7439/1.8=3, 8536/3.0=2...(4) HB2 LEU 21 - HG3 GLU 73 lone 6 92 - 6 - HB2 LEU 21 - HG2 GLU 73 lone 6 92 - 6 - HB VAL 50 - HG2 GLU 73 lone 5 68 - 8 - 2.1/8740=1 HB VAL 50 - HG3 GLU 73 lone 5 68 - 8 - 2.1/8740=1 HB2 GLU 28 - HG3 GLU 73 lone 4 99 - 4 - HB2 GLU 28 - HG2 GLU 73 lone 4 99 - 4 - HB2 LEU 84 - HG3 GLU 73 lone 2 99 - 2 - HB2 LEU 84 - HG2 GLU 73 lone 2 99 - 2 - HB2 LYS 109 - HG3 GLU 73 lone 2 68 - 3 - HB2 LYS 109 - HG2 GLU 73 lone 2 68 - 3 - HG LEU 58 - HG2 GLU 73 lone 2 81 - 2 - HG LEU 58 - HG3 GLU 73 lone 2 81 - 2 - HB2 ARG 81 - HG2 GLU 75 lone 2 69 - 2 - HB3 LYS 31 - HG2 GLU 75 lone 1 40 - 4 - HG LEU 84 - HG3 GLU 73 lone 1 76 - 2 - HG LEU 84 - HG2 GLU 73 lone 1 76 - 2 - HB ILE 80 - HG2 GLU 75 lone 1 63 - 2 - HB3 MET 11 - HG3 GLU 73 lone 1 100 - 1 - HB3 MET 11 - HG2 GLU 73 lone 1 100 - 1 - HG LEU 55 - HG3 GLU 73 lone 1 65 - 2 - HG LEU 55 - HG2 GLU 73 lone 1 65 - 2 - HB3 LYS 31 - HG2 GLU 73 lone 1 68 - 1 - HB3 LYS 31 - HG3 GLU 73 lone 1 68 - 1 - HB3 GLU 64 - HG2 GLU 73 lone 1 73 - 1 - HB3 GLU 64 - HG3 GLU 73 lone 1 73 - 1 - HG LEU 58 - HG2 GLU 75 lone 1 49 - 2 - HB2 LYS 109 - HG2 GLU 75 lone 1 40 - 2 - HB2 GLU 64 - HG2 GLU 73 lone 1 68 - 1 - HB2 GLU 64 - HG3 GLU 73 lone 1 68 - 1 - HB2 LEU 21 - HG2 GLU 75 lone 1 58 - 1 - HB2 LYS 119 - HG2 GLU 73 lone 1 68 - 1 - HB2 LYS 119 - HG3 GLU 73 lone 1 68 - 1 - HB3 GLU 64 - HG2 GLU 75 lone 1 43 - 1 - HB2 LYS 119 - HG2 GLU 75 lone 1 40 - 1 - HB2 GLU 64 - HG2 GLU 75 lone 0 40 - 1 - HB ILE 22 - HG2 GLU 75 lone 0 69 - 1 - HG LEU 55 - HG2 GLU 75 lone 0 38 - 1 - HB2 GLU 28 - HG2 GLU 75 lone 0 67 - 1 - HB3 MET 11 - HG2 GLU 75 lone 0 68 - 0 - HB2 LEU 84 - HG2 GLU 75 lone 0 66 - 0 - HB VAL 50 - HG2 GLU 75 lone 0 40 - 1 - HG LEU 84 - HG2 GLU 75 lone 0 45 - 0 - Peak 3928 from cnoeabs.peaks (1.84, 1.84, 35.91 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 73 + HG2 GLU 73 OK 100 100 - 100 HG3 GLU 73 + HG3 GLU 73 OK 100 100 - 100 HG2 GLU 75 - HG2 GLU 75 OK 42 42 - 100 Peak 3929 from cnoeabs.peaks (1.84, 1.84, 35.91 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 73 + HG3 GLU 73 OK 100 100 - 100 HG2 GLU 73 + HG2 GLU 73 OK 100 100 - 100 HG2 GLU 75 - HG2 GLU 75 OK 40 40 - 100 Reference assignment not found: HG3 GLU 73 - HG2 GLU 73 Peak 3931 from cnoeabs.peaks (3.74, 1.84, 35.91 ppm; 4.21 A): 2 out of 30 assignments used, quality = 1.00: * HA GLU 73 + HG3 GLU 73 OK 100 100 - 100 - 4.1=100 HA GLU 73 + HG2 GLU 73 OK 100 100 - 100 - 4.1=100 HA LEU 54 - HG2 GLU 73 OK 19 100 - 19 - 3919/2.9=3, 3913/2.9=3...(9) HA LEU 54 - HG3 GLU 73 OK 19 100 - 19 - 3919/2.9=3, 3913/2.9=3...(9) HA LEU 54 - HG2 GLU 75 OK 15 66 - 22 - 3183/1.8=5, ~3197=3...(8) HA GLU 73 - HG2 GLU 75 OK 14 67 - 21 - 1643/5.1=6, ~7439=3...(8) HA GLU 38 - HG2 GLU 75 OK 11 56 - 20 - 6707/3.0=4, 1643/5.1=4...(7) HA GLU 38 - HG2 GLU 73 OK 10 92 - 11 - 3913/2.9=2, 3919/2.9=2...(4) HA GLU 38 - HG3 GLU 73 OK 10 92 - 11 - 3913/2.9=2, 3919/2.9=2...(4) HA CYS 87 - HG2 GLU 73 lone 5 93 - 5 - HA CYS 87 - HG3 GLU 73 lone 5 93 - 5 - HD2 PRO 30 - HG2 GLU 75 poor 4 43 - 10 - 1643/5.1=2, ~3974=1 HD2 PRO 30 - HG3 GLU 73 lone 4 76 - 5 - HD2 PRO 30 - HG2 GLU 73 lone 4 76 - 5 - HB3 SER 90 - HG2 GLU 73 lone 4 97 - 4 - HB3 SER 90 - HG3 GLU 73 lone 4 97 - 4 - HA CYS 87 - HG2 GLU 75 lone 3 57 - 5 - HB3 SER 13 - HG3 GLU 73 lone 3 81 - 3 - HB3 SER 13 - HG2 GLU 73 lone 3 81 - 3 - HB3 SER 90 - HG2 GLU 75 lone 2 62 - 4 - 7577/3.0=1 HB3 SER 35 - HG3 GLU 73 lone 2 92 - 2 - HB3 SER 35 - HG2 GLU 73 lone 2 92 - 2 - HA3 GLY 86 - HG3 GLU 73 lone 2 78 - 3 - HA3 GLY 86 - HG2 GLU 73 lone 2 78 - 3 - HA3 GLY 86 - HG2 GLU 75 lone 1 45 - 3 - HA2 GLY 104 - HG2 GLU 73 lone 1 60 - 2 - HA2 GLY 104 - HG3 GLU 73 lone 1 60 - 2 - HB3 SER 13 - HG2 GLU 75 lone 1 47 - 2 - HB3 SER 35 - HG2 GLU 75 lone 1 56 - 1 - HA2 GLY 104 - HG2 GLU 75 lone 1 33 - 2 - Peak 3932 from cnoeabs.peaks (2.19, 1.84, 35.91 ppm; 4.25 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 73 + HG3 GLU 73 OK 100 100 - 100 - 2.9=100 HB2 GLU 73 + HG2 GLU 73 OK 100 100 - 100 - 2.9=100 HG12 ILE 80 - HG3 GLU 73 OK 24 65 - 36 - 3908/4.1=3, 3920/2.9=3...(22) HG12 ILE 80 - HG2 GLU 73 OK 23 65 - 36 - 3908/4.1=3, 3920/2.9=3...(22) HB VAL 26 - HG2 GLU 73 OK 22 100 - 22 - 3908/4.1=4, 3920/2.9=3...(8) HB VAL 26 - HG3 GLU 73 OK 22 100 - 22 - 3908/4.1=4, 3920/2.9=3...(8) HG2 PRO 37 - HG2 GLU 75 OK 19 60 - 32 - 6682/3.0=5, 2686/3.0=3...(16) HB2 GLU 73 - HG2 GLU 75 OK 15 67 - 23 - ~7439=4, 8738/1.8=3...(11) HB3 PRO 37 - HG2 GLU 75 OK 13 40 - 32 - ~6678=3, ~3974=3...(17) HG2 PRO 37 - HG3 GLU 73 OK 11 96 - 12 - 3908/4.1=2, 3920/2.9=2...(4) HG2 PRO 37 - HG2 GLU 73 OK 11 96 - 12 - 3908/4.1=2, 3920/2.9=2...(4) HB VAL 49 - HG2 GLU 73 OK 11 100 - 11 - 2.1/6903=2, 3920/2.9=1...(5) HB VAL 49 - HG3 GLU 73 OK 11 100 - 11 - 2.1/6903=2, 3920/2.9=1...(5) HB3 PRO 37 - HG3 GLU 73 poor 8 71 - 11 - 3908/4.1=1, 3920/2.9=1 HB3 PRO 37 - HG2 GLU 73 poor 8 71 - 11 - 3908/4.1=1, 3920/2.9=1 HB VAL 49 - HG2 GLU 75 lone 6 66 - 9 - ~8494=3, 2.1/6903=2, ~6901=2 HB VAL 26 - HG2 GLU 75 lone 2 65 - 4 - HG12 ILE 80 - HG2 GLU 75 lone 2 36 - 5 - ~7420=2 Peak 3933 from cnoeabs.peaks (1.91, 1.84, 35.91 ppm; 3.14 A): 2 out of 51 assignments used, quality = 1.00: * HB3 GLU 73 + HG3 GLU 73 OK 100 100 - 100 - 2.9=100 HB3 GLU 73 + HG2 GLU 73 OK 100 100 - 100 - 2.9=100 HB ILE 22 - HG3 GLU 73 OK 24 100 - 24 - 2151=3, 2151/1.8=3...(11) HB ILE 22 - HG2 GLU 73 OK 24 100 - 24 - 2151=3, 2151/1.8=3...(11) HB2 ARG 81 - HG2 GLU 73 OK 20 100 - 21 - 3920/2.9=3, 3922=2...(7) HB2 ARG 81 - HG3 GLU 73 OK 20 100 - 20 - 3920/2.9=3, 3922=2...(7) HB ILE 80 - HG3 GLU 73 OK 19 97 - 19 - 3909/4.1=2, 4073/2.9=2...(6) HB ILE 80 - HG2 GLU 73 OK 19 97 - 19 - 3909/4.1=2, 4073/2.9=2...(6) HB3 GLU 73 - HG2 GLU 75 poor 9 67 - 13 - 7439/1.8=3, 8536/3.0=2...(4) HB2 LEU 21 - HG3 GLU 73 lone 6 92 - 6 - HB2 LEU 21 - HG2 GLU 73 lone 6 92 - 6 - HB VAL 50 - HG3 GLU 73 lone 5 68 - 8 - 2.1/8740=1 HB VAL 50 - HG2 GLU 73 lone 5 68 - 8 - 2.1/8740=1 HB2 GLU 28 - HG3 GLU 73 lone 4 99 - 4 - HB2 GLU 28 - HG2 GLU 73 lone 4 99 - 4 - HB2 LEU 84 - HG3 GLU 73 lone 2 99 - 2 - HB2 LEU 84 - HG2 GLU 73 lone 2 99 - 2 - HB2 LYS 109 - HG3 GLU 73 lone 2 68 - 3 - HB2 LYS 109 - HG2 GLU 73 lone 2 68 - 3 - HG LEU 58 - HG2 GLU 73 lone 2 81 - 2 - HG LEU 58 - HG3 GLU 73 lone 2 81 - 2 - HB2 ARG 81 - HG2 GLU 75 lone 2 66 - 2 - HG LEU 84 - HG3 GLU 73 lone 1 76 - 2 - HG LEU 84 - HG2 GLU 73 lone 1 76 - 2 - HB3 LYS 31 - HG2 GLU 75 lone 1 38 - 4 - HB3 MET 11 - HG3 GLU 73 lone 1 100 - 1 - HB3 MET 11 - HG2 GLU 73 lone 1 100 - 1 - HG LEU 55 - HG3 GLU 73 lone 1 65 - 2 - HG LEU 55 - HG2 GLU 73 lone 1 65 - 2 - HB ILE 80 - HG2 GLU 75 lone 1 61 - 2 - HB3 LYS 31 - HG3 GLU 73 lone 1 68 - 1 - HB3 LYS 31 - HG2 GLU 73 lone 1 68 - 1 - HB3 GLU 64 - HG2 GLU 73 lone 1 73 - 1 - HB3 GLU 64 - HG3 GLU 73 lone 1 73 - 1 - HG LEU 58 - HG2 GLU 75 lone 1 47 - 2 - HB2 GLU 64 - HG2 GLU 73 lone 1 68 - 1 - HB2 GLU 64 - HG3 GLU 73 lone 1 68 - 1 - HB2 LYS 109 - HG2 GLU 75 lone 1 38 - 2 - HB2 LYS 119 - HG3 GLU 73 lone 1 68 - 1 - HB2 LYS 119 - HG2 GLU 73 lone 1 68 - 1 - HB2 LEU 21 - HG2 GLU 75 lone 1 56 - 1 - HB2 LYS 119 - HG2 GLU 75 lone 1 38 - 1 - HB3 GLU 64 - HG2 GLU 75 lone 0 41 - 1 - HB2 GLU 64 - HG2 GLU 75 lone 0 38 - 1 - HB ILE 22 - HG2 GLU 75 lone 0 66 - 1 - HG LEU 55 - HG2 GLU 75 lone 0 36 - 1 - HB2 GLU 28 - HG2 GLU 75 lone 0 64 - 1 - HB3 MET 11 - HG2 GLU 75 lone 0 65 - 0 - HB2 LEU 84 - HG2 GLU 75 lone 0 63 - 0 - HB VAL 50 - HG2 GLU 75 lone 0 38 - 1 - HG LEU 84 - HG2 GLU 75 lone 0 43 - 0 - Peak 3934 from cnoeabs.peaks (1.84, 1.84, 35.91 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 73 + HG3 GLU 73 OK 100 100 - 100 HG2 GLU 73 + HG2 GLU 73 OK 100 100 - 100 HG2 GLU 75 - HG2 GLU 75 OK 40 40 - 100 Reference assignment not found: HG2 GLU 73 - HG3 GLU 73 Peak 3935 from cnoeabs.peaks (1.84, 1.84, 35.91 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 73 + HG3 GLU 73 OK 100 100 - 100 HG2 GLU 73 + HG2 GLU 73 OK 100 100 - 100 HG2 GLU 75 - HG2 GLU 75 OK 38 38 - 100 Peak 3936 from cnoeabs.peaks (8.35, 3.95, 61.57 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * H SER 74 + HA SER 74 OK 100 100 - 100 - 2.9=100 H GLY 125 - HA SER 74 OK 12 78 - 15 - 4.7/8109=3, 352/3.6=3...(6) H VAL 115 - HA SER 74 lone 5 78 - 7 - 352/3.6=2 H ILE 80 - HA SER 74 lone 5 63 - 8 - 352/3.6=3, 1659/1658=1 H THR 62 - HA SER 74 lone 5 87 - 5 - Peak 3937 from cnoeabs.peaks (3.95, 3.95, 61.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 74 + HA SER 74 OK 100 100 - 100 Peak 3938 from cnoeabs.peaks (3.78, 3.95, 61.57 ppm; 2.86 A): 2 out of 12 assignments used, quality = 0.99: * HB2 SER 74 + HA SER 74 OK 91 100 - 91 - 3.0=84, 1.8/3945=14...(13) HB3 SER 74 + HA SER 74 OK 91 100 - 91 - 3.0=84, 1.8/3941=14...(13) HB2 SER 72 - HA SER 74 OK 18 99 - 18 - 7282/2.9=8, ~7281=5...(5) HA GLU 38 - HA SER 74 lone 5 73 - 6 - 3.0/6086=2, 355/3.6=1 HD2 PRO 30 - HA SER 74 lone 3 90 - 4 - HA2 GLY 61 - HA SER 74 lone 3 96 - 3 - HA3 GLY 39 - HA SER 74 lone 3 68 - 4 - HA CYS 87 - HA SER 74 lone 2 71 - 2 - HB2 SER 90 - HA SER 74 lone 1 89 - 1 - HB3 SER 13 - HA SER 74 lone 1 87 - 1 - HA2 GLY 88 - HA SER 74 lone 1 60 - 1 - HB3 SER 35 - HA SER 74 lone 1 73 - 1 - Peak 3939 from cnoeabs.peaks (3.78, 3.95, 61.57 ppm; 2.86 A): 2 out of 11 assignments used, quality = 0.99: * HB3 SER 74 + HA SER 74 OK 91 100 - 91 - 3.0=84, 1.8/3941=14...(13) HB2 SER 74 + HA SER 74 OK 91 100 - 91 - 3.0=84, 1.8/3945=14...(13) HB2 SER 72 - HA SER 74 OK 18 100 - 19 - 7282/2.9=8, ~7281=5...(5) HA GLU 38 - HA SER 74 lone 5 76 - 7 - 3.0/6086=2, 7308/4.7=1 HD2 PRO 30 - HA SER 74 lone 3 92 - 4 - HA2 GLY 61 - HA SER 74 lone 2 95 - 3 - HA3 GLY 39 - HA SER 74 lone 2 65 - 4 - HA CYS 87 - HA SER 74 lone 2 73 - 3 - HB3 SER 13 - HA SER 74 lone 1 89 - 1 - HB2 SER 90 - HA SER 74 lone 1 87 - 1 - HB3 SER 35 - HA SER 74 lone 1 76 - 1 - Peak 3940 from cnoeabs.peaks (8.35, 3.78, 62.01 ppm; 3.45 A): 2 out of 10 assignments used, quality = 0.97: * H SER 74 + HB2 SER 74 OK 83 100 - 83 - 4.0=64, 1127/1.8=15...(9) H SER 74 + HB3 SER 74 OK 83 100 - 83 - 4.0=64, 1127/1.8=15...(9) H GLY 125 - HB2 SER 74 lone 6 78 - 8 - 3936/3.0=2, 352/4.6=1, 1127=1 H GLY 125 - HB3 SER 74 lone 6 78 - 8 - 3936/3.0=2, 352/4.6=1, 1127=1 H THR 62 - HB2 SER 74 lone 5 87 - 5 - H THR 62 - HB3 SER 74 lone 5 87 - 5 - H VAL 115 - HB3 SER 74 lone 3 78 - 3 - 352/4.6=1 H VAL 115 - HB2 SER 74 lone 3 78 - 3 - 352/4.6=1 H ILE 80 - HB3 SER 74 lone 3 63 - 4 - 352/4.6=2 H ILE 80 - HB2 SER 74 lone 3 63 - 4 - 352/4.6=2 Peak 3941 from cnoeabs.peaks (3.95, 3.78, 62.01 ppm; 2.91 A): 2 out of 14 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 94 100 - 94 - 3.0=89, 3939/1.8=14...(13) HA SER 74 + HB3 SER 74 OK 94 100 - 94 - 3.0=89, 3939/1.8=14...(13) HA2 GLY 125 - HB3 SER 74 lone 4 100 - 4 - HA3 GLY 125 - HB3 SER 74 lone 4 100 - 4 - HA2 GLY 125 - HB2 SER 74 lone 4 100 - 4 - HA3 GLY 125 - HB2 SER 74 lone 4 100 - 4 - HA THR 23 - HB3 SER 74 lone 2 93 - 2 - HA THR 23 - HB2 SER 74 lone 2 93 - 2 - HA2 GLY 25 - HB2 SER 74 lone 1 93 - 2 - HA2 GLY 25 - HB3 SER 74 lone 1 93 - 2 - HA ARG 85 - HB3 SER 74 lone 1 89 - 1 - HA ARG 85 - HB2 SER 74 lone 1 89 - 1 - HA ALA 43 - HB3 SER 74 lone 1 63 - 1 - HA ALA 43 - HB2 SER 74 lone 1 63 - 1 - Peak 3942 from cnoeabs.peaks (3.78, 3.78, 62.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 Peak 3943 from cnoeabs.peaks (3.78, 3.78, 62.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 Reference assignment not found: HB3 SER 74 - HB2 SER 74 Peak 3944 from cnoeabs.peaks (8.35, 3.78, 62.01 ppm; 3.45 A): 2 out of 10 assignments used, quality = 0.97: * H SER 74 + HB3 SER 74 OK 83 100 - 83 - 4.0=64, 1127/1.8=15...(9) H SER 74 + HB2 SER 74 OK 83 100 - 83 - 4.0=64, 1127/1.8=15...(9) H GLY 125 - HB3 SER 74 lone 6 78 - 8 - 3936/3.0=2, 352/4.6=1, 1127=1 H GLY 125 - HB2 SER 74 lone 6 78 - 8 - 3936/3.0=2, 352/4.6=1, 1127=1 H THR 62 - HB2 SER 74 lone 5 87 - 5 - H THR 62 - HB3 SER 74 lone 5 87 - 5 - H VAL 115 - HB3 SER 74 lone 3 78 - 3 - 352/4.6=1 H VAL 115 - HB2 SER 74 lone 3 78 - 3 - 352/4.6=1 H ILE 80 - HB3 SER 74 lone 3 63 - 4 - 352/4.6=2 H ILE 80 - HB2 SER 74 lone 3 63 - 4 - 352/4.6=2 Peak 3945 from cnoeabs.peaks (3.95, 3.78, 62.01 ppm; 2.91 A): 2 out of 14 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 94 100 - 94 - 3.0=89, 3939/1.8=14...(13) HA SER 74 + HB2 SER 74 OK 94 100 - 94 - 3.0=89, 3939/1.8=14...(13) HA2 GLY 125 - HB3 SER 74 lone 4 100 - 4 - HA3 GLY 125 - HB3 SER 74 lone 4 100 - 4 - HA2 GLY 125 - HB2 SER 74 lone 4 100 - 4 - HA3 GLY 125 - HB2 SER 74 lone 4 100 - 4 - HA THR 23 - HB3 SER 74 lone 2 93 - 2 - HA THR 23 - HB2 SER 74 lone 2 93 - 2 - HA2 GLY 25 - HB3 SER 74 lone 1 93 - 2 - HA2 GLY 25 - HB2 SER 74 lone 1 93 - 2 - HA ARG 85 - HB3 SER 74 lone 1 89 - 1 - HA ARG 85 - HB2 SER 74 lone 1 89 - 1 - HA ALA 43 - HB3 SER 74 lone 1 63 - 1 - HA ALA 43 - HB2 SER 74 lone 1 63 - 1 - Peak 3946 from cnoeabs.peaks (3.78, 3.78, 62.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 Reference assignment not found: HB2 SER 74 - HB3 SER 74 Peak 3947 from cnoeabs.peaks (3.78, 3.78, 62.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 Peak 3948 from cnoeabs.peaks (7.40, 3.58, 59.35 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 75 + HA GLU 75 OK 100 100 - 100 - 2.9=100 HD21 ASN 79 + HA GLU 75 OK 45 97 - 46 - 5.6/6098=6, 3960/3.0=5...(17) H SER 72 - HA GLU 75 OK 25 76 - 32 - 7287=6, 7284/3.0=5...(10) H LYS 32 - HA GLU 75 OK 22 90 - 25 - 3954/3.0=4, 3960/3.0=3...(11) H PHE 96 - HA GLU 75 OK 11 100 - 11 - 3954/3.0=1, 3960/3.0=1...(4) HE21 GLN 16 - HA GLU 75 lone 3 73 - 3 - Peak 3949 from cnoeabs.peaks (3.58, 3.58, 59.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HA GLU 75 OK 100 100 - 100 Peak 3950 from cnoeabs.peaks (1.78, 3.58, 59.35 ppm; 3.97 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 75 + HA GLU 75 OK 100 100 - 100 - 3.0=100 HB2 PRO 37 - HA GLU 75 OK 39 97 - 41 - 2.3/6096=6, 6678/3.0=4...(20) HB2 LYS 32 - HA GLU 75 OK 27 97 - 28 - 2495/2.9=4, 4.0/3948=3...(16) HG3 PRO 30 - HA GLU 75 OK 24 96 - 25 - ~7304=3, 1130/2.9=3...(9) HB2 LEU 117 - HA GLU 75 OK 22 100 - 22 - 3962/3.0=2, 8008/3.6=2...(7) HB VAL 66 - HA GLU 75 OK 19 63 - 31 - 2.1/3953=6, ~7203=4...(12) HG LEU 117 - HA GLU 75 OK 19 95 - 20 - 3962/3.0=2, 3974/3.6=2...(8) HG3 ARG 71 - HA GLU 75 OK 17 85 - 20 - 4.7/7287=5, 1130/2.9=3...(7) HG2 GLN 42 - HA GLU 75 OK 13 90 - 15 - 5.2/6093=2, 3.0/6013=2...(5) HB2 LEU 45 - HA GLU 75 OK 13 78 - 16 - 1.8/3951=2, 3962/3.0=2...(5) HB3 LYS 46 - HA GLU 75 lone 7 73 - 10 - 3.5/3951=1 HB3 GLU 56 - HA GLU 75 lone 7 89 - 7 - HB2 PRO 60 - HA GLU 75 lone 6 63 - 9 - ~7318=1 HD3 LYS 109 - HA GLU 75 lone 5 97 - 5 - HD2 LYS 109 - HA GLU 75 lone 5 95 - 5 - Peak 3951 from cnoeabs.peaks (1.45, 3.58, 59.35 ppm; 4.00 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLU 75 + HA GLU 75 OK 100 100 - 100 - 3.0=100 HG3 ARG 57 - HA GLU 75 OK 25 89 - 28 - 3.0/3952=3, 3957/3.0=3...(15) HB3 LEU 101 - HA GLU 75 OK 20 97 - 21 - 3957/3.0=2, 1131/2.9=2...(9) HD2 LYS 65 - HA GLU 75 OK 19 99 - 19 - 5.4/6094=3, 5.5/8329=2...(9) HD3 LYS 65 - HA GLU 75 OK 19 99 - 19 - 5.4/6094=3, 5.5/8329=2...(9) HB3 LEU 45 - HA GLU 75 OK 17 100 - 17 - 3957/3.0=2, 3975/3.6=2...(7) HG3 LYS 31 - HA GLU 75 OK 13 95 - 14 - 1131/2.9=2, 4.7/6092=2...(5) HD2 LYS 46 - HA GLU 75 OK 12 99 - 12 - 3957/3.0=2, 3975/3.6=1 HG LEU 24 - HA GLU 75 OK 12 100 - 12 - 5.3/6093=1, 3957/3.0=1 QB ALA 14 - HA GLU 75 OK 11 92 - 12 - 6307/3.0=2, 1131/2.9=1 QB ALA 89 - HA GLU 75 lone 5 97 - 5 - HG2 LYS 119 - HA GLU 75 lone 5 97 - 5 - HB3 LEU 91 - HA GLU 75 lone 5 81 - 6 - HB2 LEU 93 - HA GLU 75 lone 5 92 - 5 - QB ALA 98 - HA GLU 75 lone 4 65 - 6 - 2.1/6096=1 Peak 3952 from cnoeabs.peaks (1.81, 3.58, 59.35 ppm; 3.73 A): 1 out of 14 assignments used, quality = 1.00: * HG2 GLU 75 + HA GLU 75 OK 100 100 - 100 - 3.6=100 HB3 ARG 57 - HA GLU 75 OK 28 100 - 28 - 3964/3.0=3, 3958/3.0=3...(10) HB2 PRO 37 - HA GLU 75 OK 23 65 - 35 - 2.3/6096=5, 3.9/6092=4...(19) HG2 GLU 73 - HA GLU 75 OK 17 71 - 25 - 3967=3, 1132/2.9=3...(12) HG3 GLU 73 - HA GLU 75 OK 17 68 - 25 - 3967=3, 1132/2.9=3...(13) HB2 LYS 32 - HA GLU 75 OK 15 65 - 23 - 1132/2.9=3, 4.0/3948=2...(14) HB3 GLN 105 - HA GLU 75 OK 12 100 - 12 - 4.5/7287=1, 4.0/6093=1...(7) HB2 PRO 60 - HA GLU 75 OK 12 97 - 12 - 3958/3.0=2, 3964/3.0=2...(4) HB2 GLU 69 - HA GLU 75 OK 11 83 - 14 - 3.0/7246=2, 1132/2.9=2...(7) HG13 ILE 63 - HA GLU 75 lone 9 99 - 9 - 1132/2.9=1, 3.7/6096=1 HG LEU 41 - HA GLU 75 lone 6 85 - 8 - HB3 GLU 56 - HA GLU 75 lone 6 81 - 7 - HG3 ARG 53 - HA GLU 75 lone 5 93 - 5 - HB3 ARG 92 - HA GLU 75 lone 3 99 - 3 - Peak 3953 from cnoeabs.peaks (0.70, 3.58, 59.35 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 75 + HA GLU 75 OK 100 100 - 100 - 3.6=100 QG1 VAL 66 - HA GLU 75 OK 33 99 - 33 - 1133/2.9=6, 3965/3.0=4...(10) QD1 LEU 77 - HA GLU 75 OK 33 93 - 35 - 7353/4.7=7, 1133/2.9=6...(9) QD2 LEU 54 - HA GLU 75 OK 30 100 - 30 - 6992=6, 1133/2.9=4...(11) QD1 LEU 114 - HA GLU 75 OK 20 81 - 25 - 6992=5, 4.0/6094=4...(11) Peak 3954 from cnoeabs.peaks (7.40, 1.78, 30.37 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 4.0=100 HD21 ASN 79 - HB2 GLU 75 OK 42 97 - 43 - 3960/1.8=7, 3948/3.0=7...(13) H SER 72 - HB2 GLU 75 OK 36 76 - 48 - 4.6/8335=17, 3.6/7319=8...(9) H LYS 32 - HB2 GLU 75 OK 31 90 - 34 - 903=5, 3960/1.8=4...(13) H PHE 96 - HB2 GLU 75 OK 11 100 - 11 - 3960/1.8=2, 3972/3.0=2...(5) HE21 GLN 16 - HB2 GLU 75 lone 2 73 - 2 - Peak 3955 from cnoeabs.peaks (3.58, 1.78, 30.37 ppm; 4.68 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.0=100 HD2 PRO 70 - HB2 GLU 75 OK 42 68 - 62 - 3.6/7319=10, 3961/1.8=8...(18) HA2 GLY 39 - HB2 GLU 75 OK 19 85 - 22 - 3961/1.8=4, ~6093=3...(9) HA2 GLY 48 - HB2 GLU 75 OK 17 100 - 17 - 3961/1.8=4, 3973/3.0=3...(6) HA LEU 51 - HB2 GLU 75 OK 13 71 - 18 - 8425/3.0=3, 3961/1.8=3...(6) HA LEU 111 - HB2 GLU 75 OK 13 78 - 16 - 3961/1.8=3, 6218/4.3=3...(6) Peak 3956 from cnoeabs.peaks (1.78, 1.78, 30.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 Peak 3957 from cnoeabs.peaks (1.45, 1.78, 30.37 ppm; 3.87 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 1.8=100 HG3 ARG 57 - HB2 GLU 75 OK 25 89 - 29 - 3.0/3958=3, 3951/3.0=3...(14) HB3 LEU 45 - HB2 GLU 75 OK 21 100 - 21 - 3975/3.0=2, 3951/3.0=2...(7) HB3 LEU 101 - HB2 GLU 75 OK 21 97 - 22 - 3.0/7319=3, ~7315=2...(9) HD2 LYS 65 - HB2 GLU 75 OK 16 99 - 16 - 3951/3.0=2, 5.5/8333=2...(6) HD3 LYS 65 - HB2 GLU 75 OK 16 99 - 16 - 3951/3.0=2, 5.5/8333=2...(6) HD2 LYS 46 - HB2 GLU 75 OK 14 99 - 14 - 3975/3.0=1, 3951/3.0=1 QB ALA 14 - HB2 GLU 75 OK 13 92 - 14 - 6307=3, 3.7/8666=2, 3951/3.0=1 HG LEU 24 - HB2 GLU 75 OK 11 100 - 11 - 3951/3.0=1, 3975/3.0=1 HG3 LYS 31 - HB2 GLU 75 poor 10 95 - 10 - 4.7/115=2, 1131/4.0=2 HB3 LEU 91 - HB2 GLU 75 lone 6 81 - 7 - HG2 LYS 119 - HB2 GLU 75 lone 5 97 - 5 - HB2 LEU 93 - HB2 GLU 75 lone 4 92 - 5 - QB ALA 89 - HB2 GLU 75 lone 4 97 - 4 - QB ALA 98 - HB2 GLU 75 lone 3 65 - 5 - Peak 3958 from cnoeabs.peaks (1.81, 1.78, 30.37 ppm; 3.47 A): 1 out of 14 assignments used, quality = 1.00: * HG2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.0=100 HB3 ARG 57 - HB2 GLU 75 OK 27 100 - 27 - 3964/1.8=4, 3952/3.0=3...(10) HB2 PRO 37 - HB2 GLU 75 OK 23 65 - 36 - 6678/1.8=3, 2.3/2665=3...(17) HG2 GLU 73 - HB2 GLU 75 OK 17 71 - 24 - 3968=3, 1132/4.0=2...(13) HG3 GLU 73 - HB2 GLU 75 OK 16 68 - 24 - 3968=3, 1132/4.0=2...(13) HB2 LYS 32 - HB2 GLU 75 OK 14 65 - 22 - 1.8/2507=3, 3.0/2487=2...(9) HB2 PRO 60 - HB2 GLU 75 OK 14 97 - 14 - 3964/1.8=2, 8415/8335=1...(4) HB2 GLU 69 - HB2 GLU 75 poor 10 83 - 12 - 4.8/3955=2, 3964/1.8=1...(4) HB3 GLN 105 - HB2 GLU 75 lone 9 100 - 9 - 3964/1.8=1, 3952/3.0=1 HG13 ILE 63 - HB2 GLU 75 lone 6 99 - 6 - HB3 GLU 56 - HB2 GLU 75 lone 6 81 - 8 - HG LEU 41 - HB2 GLU 75 lone 6 85 - 7 - HG3 ARG 53 - HB2 GLU 75 lone 5 93 - 5 - HB3 ARG 92 - HB2 GLU 75 lone 3 99 - 3 - Peak 3959 from cnoeabs.peaks (0.70, 1.78, 30.37 ppm; 4.63 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.0=100 QG1 VAL 66 + HB2 GLU 75 OK 46 99 - 46 - 3965/1.8=7, 7203/4.0=7...(18) QD1 LEU 77 - HB2 GLU 75 OK 42 93 - 45 - 1133/4.0=7, 3965/1.8=7...(14) QD2 LEU 54 - HB2 GLU 75 OK 40 100 - 40 - 3965/1.8=6, 3953/3.0=6...(13) QD1 LEU 114 - HB2 GLU 75 OK 23 81 - 28 - 3953/3.0=4, 3965/1.8=4...(11) Peak 3960 from cnoeabs.peaks (7.40, 1.45, 30.37 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 4.0=100 HD21 ASN 79 - HB3 GLU 75 OK 40 97 - 41 - 3954/1.8=7, 3948/3.0=7...(13) H SER 72 - HB3 GLU 75 OK 36 76 - 48 - 4.6/8334=17, 7284=10...(10) H LYS 32 - HB3 GLU 75 OK 24 90 - 27 - 3954/1.8=5, 3948/3.0=3...(10) H PHE 96 - HB3 GLU 75 OK 10 100 - 10 - 3954/1.8=2, 3972/3.0=2...(5) HE21 GLN 16 - HB3 GLU 75 lone 2 73 - 3 - Peak 3961 from cnoeabs.peaks (3.58, 1.45, 30.37 ppm; 4.37 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 3.0=100 HD2 PRO 70 - HB3 GLU 75 OK 36 68 - 53 - 3.0/7315=8, 3.0/7253=8...(16) HA2 GLY 39 - HB3 GLU 75 OK 17 85 - 20 - 3955/1.8=3, ~6093=3...(9) HA2 GLY 48 - HB3 GLU 75 OK 16 100 - 16 - 3955/1.8=3, 3973/3.0=2...(6) HA LEU 111 - HB3 GLU 75 OK 13 78 - 16 - 6218/4.3=2, 3955/1.8=2...(5) HA LEU 51 - HB3 GLU 75 OK 11 71 - 16 - 8425/3.0=3, 3955/1.8=2...(6) Peak 3962 from cnoeabs.peaks (1.78, 1.45, 30.37 ppm; 3.79 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 1.8=100 HB2 PRO 37 - HB3 GLU 75 OK 42 97 - 44 - 6678=7, 2.3/6682=5...(19) HG3 ARG 71 - HB3 GLU 75 OK 25 85 - 30 - 5.0/8334=13, 4.0/7318=5...(8) HB2 LYS 32 - HB3 GLU 75 OK 20 97 - 21 - 2495/4.0=3, 4.0/3960=2...(9) HB2 LEU 117 - HB3 GLU 75 OK 20 100 - 20 - 1.8/7316=2, 3974/3.0=2...(7) HG LEU 117 - HB3 GLU 75 OK 19 95 - 20 - 3974/3.0=2, 3.0/7316=2...(7) HB VAL 66 - HB3 GLU 75 OK 18 63 - 28 - 2.1/3965=5, ~3959=3...(14) HB2 LEU 45 - HB3 GLU 75 OK 17 78 - 21 - 2887=2, ~3957=2...(10) HG3 PRO 30 - HB3 GLU 75 OK 16 96 - 17 - 3950/3.0=2, 1130/4.0=2...(5) HG2 GLN 42 - HB3 GLU 75 OK 11 90 - 12 - 3.9/6033=1, ~6013=1, 3950/3.0=1 HB3 LYS 46 - HB3 GLU 75 poor 9 73 - 12 - HB2 PRO 60 - HB3 GLU 75 poor 8 63 - 13 - 2.3/7318=1, 6678=1, 2.3/6685=1 HB3 GLU 56 - HB3 GLU 75 lone 8 89 - 9 - HD3 LYS 109 - HB3 GLU 75 lone 5 97 - 5 - HD2 LYS 109 - HB3 GLU 75 lone 5 95 - 5 - Peak 3963 from cnoeabs.peaks (1.45, 1.45, 30.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 Peak 3964 from cnoeabs.peaks (1.81, 1.45, 30.37 ppm; 3.84 A): 1 out of 14 assignments used, quality = 1.00: * HG2 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 3.0=100 HB3 ARG 57 - HB3 GLU 75 OK 36 100 - 36 - 3958/1.8=4, 1.8/7315=4...(16) HB2 PRO 37 - HB3 GLU 75 OK 27 65 - 42 - 2.3/6682=5, 6678=4...(19) HG2 GLU 73 - HB3 GLU 75 OK 20 71 - 28 - 3958/1.8=3, 1132/4.0=3...(16) HG3 GLU 73 - HB3 GLU 75 OK 19 68 - 28 - 3958/1.8=3, 1132/4.0=3...(16) HB2 PRO 60 - HB3 GLU 75 OK 17 97 - 18 - 3958/1.8=2, 8415/8334=2...(7) HB2 LYS 32 - HB3 GLU 75 OK 13 65 - 20 - 4.0/3960=2, 3958/1.8=2...(9) HB2 GLU 69 - HB3 GLU 75 OK 13 83 - 16 - 4.8/3961=3, 3958/1.8=2...(6) HB3 GLN 105 - HB3 GLU 75 OK 12 100 - 12 - 1.8/7315=2, 3958/1.8=1...(6) HG13 ILE 63 - HB3 GLU 75 lone 9 99 - 9 - 3952/3.0=1, 3958/1.8=1 HG LEU 41 - HB3 GLU 75 poor 9 85 - 10 - 2.1/8263=2, 2.1/8264=1 HB3 GLU 56 - HB3 GLU 75 lone 8 81 - 10 - 3958/1.8=1 HG3 ARG 53 - HB3 GLU 75 lone 6 93 - 7 - HB3 ARG 92 - HB3 GLU 75 lone 4 99 - 4 - Peak 3965 from cnoeabs.peaks (0.70, 1.45, 30.37 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 3.0=100 QG1 VAL 66 + HB3 GLU 75 OK 46 99 - 46 - 3959/1.8=7, 7203/4.0=7...(17) QD1 LEU 77 - HB3 GLU 75 OK 40 93 - 43 - 1133/4.0=7, 3959/1.8=6...(13) QD2 LEU 54 - HB3 GLU 75 OK 39 100 - 38 - 3959/1.8=6, 3953/3.0=6...(13) QD1 LEU 114 - HB3 GLU 75 OK 22 81 - 27 - 3953/3.0=4, 3.1/7315=4...(10) Peak 3966 from cnoeabs.peaks (7.40, 1.81, 35.98 ppm; 4.04 A): 6 out of 18 assignments used, quality = 0.94: * H GLU 75 + HG2 GLU 75 OK 74 100 - 74 - 5.1=49, 3972/1.8=18...(10) HD21 ASN 79 + HG2 GLU 75 OK 30 97 - 31 - 3972/1.8=8, 3948/3.6=6...(8) H GLU 75 + HG2 GLU 73 OK 25 69 - 36 - 352/4.9=13, 1643/4.1=7...(11) H GLU 75 + HG3 GLU 73 OK 24 67 - 36 - 352/4.9=13, 1643/4.1=7...(11) H SER 72 + HG2 GLU 75 OK 23 76 - 30 - 7285/1.8=7, 4.6/8415=7...(6) H LYS 32 + HG2 GLU 75 OK 20 90 - 22 - 3972/1.8=4, 3954/3.0=4...(7) H PHE 96 - HG2 GLU 75 lone 8 100 - 7 - 3972/1.8=2, 3954/3.0=2...(4) H SER 72 - HG2 GLU 73 poor 5 45 - 12 - 4.6/1122=5, 1477/4.9=4 H SER 72 - HG3 GLU 73 poor 5 43 - 12 - 4.6/1122=5, 1477/4.9=4 HD21 ASN 79 - HG2 GLU 73 lone 2 64 - 3 - 1477/4.9=1 HD21 ASN 79 - HG3 GLU 73 lone 2 62 - 3 - 1477/4.9=1 H LYS 32 - HG2 GLU 73 lone 2 57 - 3 - 1477/4.9=1 H LYS 32 - HG3 GLU 73 lone 2 54 - 3 - 1477/4.9=1 HE21 GLN 16 - HG2 GLU 75 lone 2 73 - 2 - H PHE 96 - HG2 GLU 73 lone 1 69 - 2 - H PHE 96 - HG3 GLU 73 lone 1 66 - 2 - HE21 GLN 16 - HG2 GLU 73 lone 0 43 - 1 - HE21 GLN 16 - HG3 GLU 73 lone 0 41 - 1 - Peak 3967 from cnoeabs.peaks (3.58, 1.81, 35.98 ppm; 4.11 A): 1 out of 18 assignments used, quality = 1.00: * HA GLU 75 + HG2 GLU 75 OK 100 100 - 100 - 3.6=100 HD2 PRO 70 - HG2 GLU 75 OK 23 68 - 35 - 3973/1.8=6, 3955/3.0=5...(9) HA GLU 75 - HG2 GLU 73 OK 19 69 - 28 - 2.9/1132=4, 3952=3...(15) HA GLU 75 - HG3 GLU 73 OK 18 67 - 28 - 2.9/1132=4, 3952=3...(15) HA2 GLY 48 - HG2 GLU 75 OK 11 100 - 11 - 3973/1.8=3, 3961/3.0=2...(4) HA2 GLY 39 - HG2 GLU 75 OK 10 85 - 12 - 3973/1.8=2, 3961/3.0=2...(5) HA LEU 51 - HG2 GLU 75 poor 7 71 - 10 - 8425/1.8=3, 3961/3.0=2 HA LEU 111 - HG2 GLU 75 lone 7 78 - 9 - 3961/3.0=2, 3973/1.8=2 HD2 PRO 70 - HG2 GLU 73 lone 2 40 - 5 - HD2 PRO 70 - HG3 GLU 73 lone 2 38 - 5 - HA LEU 111 - HG2 GLU 73 lone 2 47 - 3 - HA2 GLY 48 - HG2 GLU 73 lone 1 69 - 2 - HA LEU 111 - HG3 GLU 73 lone 1 45 - 3 - HA2 GLY 48 - HG3 GLU 73 lone 1 66 - 2 - HA LEU 51 - HG2 GLU 73 lone 1 42 - 3 - HA LEU 51 - HG3 GLU 73 lone 1 40 - 3 - HA2 GLY 39 - HG2 GLU 73 lone 1 52 - 2 - HA2 GLY 39 - HG3 GLU 73 lone 1 50 - 2 - Peak 3968 from cnoeabs.peaks (1.78, 1.81, 35.98 ppm; 3.30 A): 1 out of 45 assignments used, quality = 1.00: * HB2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 - 3.0=100 HB2 PRO 37 - HG2 GLU 75 OK 23 97 - 24 - 6678/3.0=3, 3974/1.8=3...(10) HB2 GLU 75 - HG2 GLU 73 OK 15 69 - 22 - 3958=3, 3958/1.8=2...(10) HB2 GLU 75 - HG3 GLU 73 OK 15 67 - 22 - 3958=3, 3958/1.8=2...(11) HB2 LYS 32 - HG2 GLU 75 OK 14 97 - 14 - 3974/1.8=2, 3950/3.6=1...(5) HB2 LEU 117 - HG2 GLU 75 OK 13 100 - 12 - 3974/1.8=2, 3962/3.0=1...(4) HG LEU 117 - HG2 GLU 75 OK 12 95 - 13 - 3974/1.8=2, ~8012=2...(5) HB VAL 66 - HG2 GLU 75 OK 12 63 - 19 - 3668/1.8=3, 2.1/3971=3...(8) HG3 ARG 71 - HG2 GLU 75 poor 10 85 - 11 - 5.0/8415=4, 3962/3.0=2...(5) HB2 LEU 45 - HG2 GLU 75 poor 8 78 - 11 - 3974/1.8=1, ~3975=1...(5) HG3 PRO 30 - HG2 GLU 75 lone 8 96 - 8 - 3950/3.6=1, 3974/1.8=1 HB2 PRO 60 - HG2 GLU 75 lone 6 63 - 10 - HG2 GLN 42 - HG2 GLU 75 lone 5 90 - 5 - HB3 LYS 46 - HG2 GLU 75 lone 5 73 - 6 - HB3 GLU 56 - HG2 GLU 75 lone 4 89 - 5 - HB2 PRO 37 - HG2 GLU 73 lone 3 63 - 5 - HD3 LYS 109 - HG2 GLU 75 lone 3 97 - 3 - HB2 PRO 37 - HG3 GLU 73 lone 3 61 - 5 - HD2 LYS 109 - HG2 GLU 75 lone 3 95 - 3 - HG3 PRO 30 - HG2 GLU 73 lone 1 62 - 2 - HD3 LYS 109 - HG2 GLU 73 lone 1 64 - 2 - HG3 PRO 30 - HG3 GLU 73 lone 1 60 - 2 - HD2 LYS 109 - HG2 GLU 73 lone 1 61 - 2 - HD3 LYS 109 - HG3 GLU 73 lone 1 62 - 2 - HB2 LEU 45 - HG2 GLU 73 lone 1 47 - 3 - HD2 LYS 109 - HG3 GLU 73 lone 1 58 - 2 - HB2 LEU 45 - HG3 GLU 73 lone 1 45 - 2 - HB VAL 66 - HG2 GLU 73 lone 1 36 - 3 - HB VAL 66 - HG3 GLU 73 lone 1 35 - 3 - HB2 LYS 32 - HG2 GLU 73 lone 1 63 - 1 - HB2 LYS 32 - HG3 GLU 73 lone 1 61 - 1 - HG2 GLN 42 - HG2 GLU 73 lone 1 57 - 1 - HG2 GLN 42 - HG3 GLU 73 lone 1 54 - 1 - HB2 LEU 117 - HG2 GLU 73 lone 1 69 - 1 - HG3 ARG 71 - HG2 GLU 73 lone 1 52 - 1 - HB2 LEU 117 - HG3 GLU 73 lone 1 66 - 1 - HG3 ARG 71 - HG3 GLU 73 lone 1 50 - 1 - HB3 GLU 56 - HG2 GLU 73 lone 1 55 - 1 - HB3 LYS 46 - HG2 GLU 73 lone 1 43 - 1 - HG LEU 117 - HG2 GLU 73 lone 1 61 - 1 - HB3 GLU 56 - HG3 GLU 73 lone 1 53 - 1 - HB3 LYS 46 - HG3 GLU 73 lone 1 41 - 1 - HG LEU 117 - HG3 GLU 73 lone 1 58 - 1 - HB2 PRO 60 - HG2 GLU 73 lone 0 36 - 1 - HB2 PRO 60 - HG3 GLU 73 lone 0 35 - 1 - Peak 3969 from cnoeabs.peaks (1.45, 1.81, 35.98 ppm; 4.27 A): 1 out of 45 assignments used, quality = 1.00: * HB3 GLU 75 + HG2 GLU 75 OK 100 100 - 100 - 3.0=100 HG3 ARG 57 - HG2 GLU 75 OK 29 89 - 33 - 3975/1.8=4, 3957/3.0=3...(18) HB3 GLU 75 - HG2 GLU 73 OK 23 69 - 34 - 3964=3, 4.0/1132=3...(16) HB3 GLU 75 - HG3 GLU 73 OK 22 67 - 34 - 3964=3, 4.0/1132=3...(16) HB3 LEU 45 - HG2 GLU 75 OK 20 100 - 20 - 3975/1.8=3, 3957/3.0=3...(8) HB3 LEU 101 - HG2 GLU 75 OK 19 97 - 20 - 3957/3.0=3, 3975/1.8=3...(8) HD3 LYS 65 - HG2 GLU 75 OK 17 99 - 18 - 3975/1.8=3, 3957/3.0=2...(7) HD2 LYS 65 - HG2 GLU 75 OK 17 99 - 18 - 3975/1.8=3, 3957/3.0=2...(7) HD2 LYS 46 - HG2 GLU 75 OK 13 99 - 13 - 3975/1.8=2, 3957/3.0=2 HG LEU 24 - HG2 GLU 75 OK 12 100 - 12 - 3975/1.8=2, 2.1/8209=2...(4) HG LEU 24 - HG2 GLU 73 OK 12 69 - 18 - ~8741=3, ~8738=2...(9) HG LEU 24 - HG3 GLU 73 OK 12 67 - 18 - ~8741=3, ~8738=2...(9) QB ALA 14 - HG2 GLU 75 OK 10 92 - 11 - 6307/3.0=2, 3975/1.8=1...(4) HG3 LYS 31 - HG2 GLU 75 lone 8 95 - 9 - 1131/5.1=1, 3951/3.6=1...(4) HB3 LEU 91 - HG2 GLU 75 lone 5 81 - 7 - HG2 LYS 119 - HG2 GLU 75 lone 5 97 - 5 - HG3 ARG 57 - HG2 GLU 73 lone 5 55 - 9 - HG3 ARG 57 - HG3 GLU 73 lone 5 53 - 9 - HB2 LEU 93 - HG2 GLU 75 lone 5 92 - 5 - QB ALA 89 - HG2 GLU 75 lone 4 97 - 4 - HB3 LEU 45 - HG2 GLU 73 lone 3 69 - 5 - QB ALA 98 - HG2 GLU 75 lone 3 65 - 5 - HB3 LEU 45 - HG3 GLU 73 lone 3 67 - 5 - QB ALA 14 - HG2 GLU 73 lone 2 58 - 3 - HB3 LEU 101 - HG2 GLU 73 lone 2 63 - 3 - QB ALA 14 - HG3 GLU 73 lone 2 56 - 3 - QB ALA 89 - HG2 GLU 73 lone 2 64 - 3 - HB3 LEU 101 - HG3 GLU 73 lone 2 61 - 3 - QB ALA 89 - HG3 GLU 73 lone 2 62 - 3 - HD2 LYS 46 - HG2 GLU 73 lone 2 66 - 3 - HD2 LYS 46 - HG3 GLU 73 lone 2 63 - 3 - QB ALA 98 - HG2 GLU 73 lone 1 38 - 4 - 7667/7346=1 HD2 LYS 65 - HG2 GLU 73 lone 1 67 - 2 - HD3 LYS 65 - HG2 GLU 73 lone 1 67 - 2 - QB ALA 98 - HG3 GLU 73 lone 1 36 - 4 - 7667/7346=1 HD3 LYS 65 - HG3 GLU 73 lone 1 64 - 2 - HD2 LYS 65 - HG3 GLU 73 lone 1 64 - 2 - HG2 LYS 119 - HG2 GLU 73 lone 1 64 - 2 - HG2 LYS 119 - HG3 GLU 73 lone 1 62 - 2 - HG3 LYS 31 - HG2 GLU 73 lone 1 61 - 2 - HG3 LYS 31 - HG3 GLU 73 lone 1 58 - 2 - HB3 LEU 91 - HG2 GLU 73 lone 1 49 - 2 - HB3 LEU 91 - HG3 GLU 73 lone 1 47 - 2 - HB2 LEU 93 - HG2 GLU 73 lone 1 58 - 1 - HB2 LEU 93 - HG3 GLU 73 lone 1 56 - 1 - Peak 3970 from cnoeabs.peaks (1.81, 1.81, 35.98 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG2 GLU 73 - HG2 GLU 73 OK 42 42 - 100 HG3 GLU 73 - HG3 GLU 73 OK 38 38 - 100 Peak 3971 from cnoeabs.peaks (0.70, 1.81, 35.98 ppm; 3.14 A): 1 out of 15 assignments used, quality = 1.00: * HG3 GLU 75 + HG2 GLU 75 OK 100 100 - 100 - 1.8=100 QD1 LEU 77 - HG2 GLU 75 OK 24 93 - 25 - 7354=4, 2.1/7346=3...(11) QD1 LEU 77 - HG2 GLU 73 OK 23 59 - 39 - 7354=6, 7354/1.8=5...(13) QD1 LEU 77 - HG3 GLU 73 OK 22 57 - 39 - 7354=6, 7354/1.8=5...(13) QG1 VAL 66 - HG2 GLU 75 OK 22 99 - 22 - 3965/3.0=3, ~3668=3...(9) QD2 LEU 54 - HG2 GLU 75 OK 21 100 - 21 - 3953/3.6=2, 3965/3.0=2...(11) HG3 GLU 75 - HG2 GLU 73 OK 14 69 - 20 - 3976=3, 7439/2.9=2...(8) HG3 GLU 75 - HG3 GLU 73 OK 13 67 - 20 - 3976=3, 3976/1.8=2...(8) QD1 LEU 114 - HG2 GLU 75 lone 7 81 - 9 - 6992/3.6=2, 3965/3.0=1 QD2 LEU 54 - HG2 GLU 73 lone 7 68 - 10 - 7439/2.9=2, 3213/4.1=1 QD2 LEU 54 - HG3 GLU 73 lone 6 66 - 10 - 7439/2.9=2, 3213/4.1=1 QG1 VAL 66 - HG2 GLU 73 lone 3 67 - 4 - QG1 VAL 66 - HG3 GLU 73 lone 3 64 - 4 - QD1 LEU 114 - HG2 GLU 73 lone 1 49 - 2 - QD1 LEU 114 - HG3 GLU 73 lone 1 47 - 2 - Peak 3972 from cnoeabs.peaks (7.40, 0.70, 35.98 ppm; 4.11 A): 4 out of 6 assignments used, quality = 0.89: * H GLU 75 + HG3 GLU 75 OK 75 100 - 75 - 5.1=52, 1131/3.0=15...(9) HD21 ASN 79 + HG3 GLU 75 OK 32 97 - 33 - 3948/3.6=6, 3960/3.0=6...(10) H SER 72 + HG3 GLU 75 OK 20 76 - 27 - 7285=8, 7284/3.0=6...(5) H LYS 32 + HG3 GLU 75 OK 17 90 - 19 - 3954/3.0=4, 3960/3.0=3...(6) H PHE 96 - HG3 GLU 75 lone 9 100 - 8 - 3954/3.0=2, 3960/3.0=1...(4) HE21 GLN 16 - HG3 GLU 75 lone 2 73 - 2 - Peak 3973 from cnoeabs.peaks (3.58, 0.70, 35.98 ppm; 4.02 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 75 + HG3 GLU 75 OK 100 100 - 100 - 3.6=100 HD2 PRO 70 - HG3 GLU 75 OK 23 68 - 34 - 3961/3.0=5, 3955/3.0=5...(10) HA2 GLY 48 - HG3 GLU 75 OK 12 100 - 12 - 3961/3.0=2, 3955/3.0=2...(4) HA LEU 51 - HG3 GLU 75 OK 11 71 - 15 - 8425=4, 4.0/6928=2...(5) HA2 GLY 39 - HG3 GLU 75 OK 10 85 - 12 - 3961/3.0=2, 3955/3.0=2...(5) HA LEU 111 - HG3 GLU 75 lone 8 78 - 10 - 3961/3.0=2, 3955/3.0=1 Peak 3974 from cnoeabs.peaks (1.78, 0.70, 35.98 ppm; 3.62 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 75 + HG3 GLU 75 OK 100 100 - 100 - 3.0=100 HB2 PRO 37 - HG3 GLU 75 OK 25 97 - 26 - 6678/3.0=4, 3968/1.8=3...(12) HB VAL 66 - HG3 GLU 75 OK 20 63 - 32 - 2.1/3678=5, 3.0/3663=5...(11) HB2 LEU 117 - HG3 GLU 75 OK 18 100 - 18 - 3.1/8012=2, 8008=2...(6) HG LEU 117 - HG3 GLU 75 OK 16 95 - 17 - 2.1/8012=3, 3968/1.8=2...(5) HB2 LYS 32 - HG3 GLU 75 OK 15 97 - 16 - 4.0/3972=2, 3968/1.8=2...(7) HB2 LEU 45 - HG3 GLU 75 OK 11 78 - 14 - 1.8/3975=2, 3962/3.0=1...(5) HG3 ARG 71 - HG3 GLU 75 OK 10 85 - 12 - 4.7/7285=4, 3962/3.0=2...(5) HG3 PRO 30 - HG3 GLU 75 poor 10 96 - 10 - 3950/3.6=2, 3962/3.0=1...(4) HG2 GLN 42 - HG3 GLU 75 lone 6 90 - 7 - HB3 LYS 46 - HG3 GLU 75 lone 6 73 - 8 - HB2 PRO 60 - HG3 GLU 75 lone 6 63 - 9 - 2.3/7234=1 HB3 GLU 56 - HG3 GLU 75 lone 4 89 - 5 - HD3 LYS 109 - HG3 GLU 75 lone 4 97 - 4 - HD2 LYS 109 - HG3 GLU 75 lone 4 95 - 4 - Peak 3975 from cnoeabs.peaks (1.45, 0.70, 35.98 ppm; 4.25 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 - 3.0=100 HG3 ARG 57 - HG3 GLU 75 OK 24 89 - 27 - 3.0/3976=4, 3957/3.0=3...(16) HD2 LYS 65 - HG3 GLU 75 OK 19 99 - 20 - 5.4/7167=3, 5.5/8552=2...(9) HD3 LYS 65 - HG3 GLU 75 OK 19 99 - 20 - 5.4/7167=3, 5.5/8552=2...(9) HB3 LEU 45 - HG3 GLU 75 OK 19 100 - 19 - 3957/3.0=3, 3969/1.8=2...(8) HB3 LEU 101 - HG3 GLU 75 OK 18 97 - 18 - 3957/3.0=3, ~7315=2...(8) HD2 LYS 46 - HG3 GLU 75 OK 13 99 - 13 - 3957/3.0=2, 3969/1.8=1 HG LEU 24 - HG3 GLU 75 OK 12 100 - 12 - 3957/3.0=1, 3951/3.6=1...(4) QB ALA 14 - HG3 GLU 75 lone 8 92 - 9 - 6307/3.0=2, 6307/1.8=1 HG3 LYS 31 - HG3 GLU 75 lone 8 95 - 9 - 1131/5.1=1, 3951/3.6=1 HB3 LEU 91 - HG3 GLU 75 lone 5 81 - 6 - HG2 LYS 119 - HG3 GLU 75 lone 5 97 - 5 - QB ALA 89 - HG3 GLU 75 lone 4 97 - 4 - HB2 LEU 93 - HG3 GLU 75 lone 4 92 - 4 - QB ALA 98 - HG3 GLU 75 lone 3 65 - 5 - Peak 3976 from cnoeabs.peaks (1.81, 0.70, 35.98 ppm; 3.32 A): 1 out of 14 assignments used, quality = 1.00: * HG2 GLU 75 + HG3 GLU 75 OK 100 100 - 100 - 1.8=100 HB3 ARG 57 - HG3 GLU 75 OK 20 100 - 20 - 3964/3.0=3, 3958/3.0=3...(6) HG2 GLU 73 - HG3 GLU 75 OK 16 71 - 22 - 2.9/7439=3, 3971=3...(8) HG3 GLU 73 - HG3 GLU 75 OK 15 68 - 22 - 2.9/7439=3, 3971=2...(8) HB2 PRO 37 - HG3 GLU 75 OK 13 65 - 20 - 3958/3.0=2, 6678/3.0=2...(10) HB2 PRO 60 - HG3 GLU 75 lone 10 97 - 10 - 3958/3.0=1, 3964/3.0=1 HB2 GLU 69 - HG3 GLU 75 lone 8 83 - 10 - 3.6/7241=2, 4.8/3973=2 HB2 LYS 32 - HG3 GLU 75 poor 7 65 - 11 - 4.0/3972=2, 3958/3.0=1 HB3 GLN 105 - HG3 GLU 75 lone 7 100 - 7 - 4.5/7285=1 HG13 ILE 63 - HG3 GLU 75 lone 5 99 - 5 - HG LEU 41 - HG3 GLU 75 lone 5 85 - 6 - HG3 ARG 53 - HG3 GLU 75 lone 4 93 - 4 - HB3 GLU 56 - HG3 GLU 75 lone 4 81 - 4 - HB3 ARG 92 - HG3 GLU 75 lone 3 99 - 3 - Peak 3977 from cnoeabs.peaks (0.70, 0.70, 35.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 Peak 3978 from cnoeabs.peaks (7.56, 4.36, 62.51 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * H CYS 76 + HA CYS 76 OK 100 100 - 100 - 2.9=100 H SER 113 - HA CYS 76 OK 28 92 - 30 - 3.0/6232=6, 1135=5...(9) HE3 TRP 20 - HA CYS 76 OK 18 93 - 19 - 3986/3.0=3, 3982/3.0=3...(7) H CYS 52 - HA CYS 76 OK 16 99 - 16 - 3986/3.0=4, 362/3.6=3...(5) Peak 3979 from cnoeabs.peaks (4.36, 4.36, 62.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 76 + HA CYS 76 OK 100 100 - 100 Peak 3980 from cnoeabs.peaks (2.82, 4.36, 62.51 ppm; 3.69 A): 1 out of 9 assignments used, quality = 1.00: * HB2 CYS 76 + HA CYS 76 OK 100 100 - 100 - 3.0=100 HB2 ASN 79 - HA CYS 76 OK 34 73 - 47 - 3.9/6100=11, 1.8/6104=7...(13) HB2 ASN 99 - HA CYS 76 OK 18 78 - 23 - 3.5/8338=5, ~7332=4...(8) HB3 PHE 107 - HA CYS 76 OK 15 71 - 22 - 1.8/3981=4, 3988/3.0=3...(11) HB3 TYR 67 - HA CYS 76 OK 15 83 - 18 - 1136/2.9=2, 1.8/6102=2...(6) HB2 TYR 67 - HA CYS 76 OK 15 83 - 18 - 1136/2.9=2, 1.8/6102=2...(6) HB2 ASP 36 - HA CYS 76 lone 5 78 - 7 - 364/3.6=2 HB2 ASN 108 - HA CYS 76 lone 4 71 - 5 - 1.8/7806=1 HB2 ASP 97 - HA CYS 76 lone 3 63 - 4 - 7645/3.0=1, ~7646=1 Peak 3981 from cnoeabs.peaks (3.11, 4.36, 62.51 ppm; 4.49 A): 1 out of 8 assignments used, quality = 1.00: * HB3 CYS 76 + HA CYS 76 OK 100 100 - 100 - 3.0=100 HB2 PHE 107 - HA CYS 76 OK 32 100 - 32 - 3985/3.0=5, 1.8/6101=5...(14) HB3 ASP 100 - HA CYS 76 OK 27 100 - 27 - 4641=5, 3985/3.0=4...(12) HB3 CYS 52 - HA CYS 76 OK 24 100 - 24 - 3117/2.9=5, 365/3.6=3...(9) HD3 ARG 57 - HA CYS 76 OK 15 97 - 15 - 3985/3.0=2, 1137/2.9=2...(6) HD3 ARG 53 - HA CYS 76 lone 8 85 - 9 - 365/3.6=1, 5.3/6103=1...(4) HD3 ARG 81 - HA CYS 76 lone 7 90 - 8 - 365/3.6=2, 3985/3.0=1 HB3 HIS 10 - HA CYS 76 lone 1 60 - 2 - Peak 3982 from cnoeabs.peaks (7.56, 2.82, 27.90 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * H CYS 76 + HB2 CYS 76 OK 100 100 - 100 - 4.0=100 H SER 113 - HB2 CYS 76 OK 26 92 - 28 - 3978/3.0=7, 3986/1.8=6...(6) HE3 TRP 20 - HB2 CYS 76 OK 25 93 - 27 - 3986/1.8=6, 2.5/7329=6...(7) H CYS 52 - HB2 CYS 76 OK 19 99 - 19 - 3986/1.8=6, 3978/3.0=4...(5) Peak 3983 from cnoeabs.peaks (4.36, 2.82, 27.90 ppm; 4.54 A): 1 out of 9 assignments used, quality = 1.00: * HA CYS 76 + HB2 CYS 76 OK 100 100 - 100 - 3.0=100 HA ASP 100 - HB2 CYS 76 OK 28 99 - 29 - 3987/1.8=7, 3.0/3985=4...(10) HA PHE 40 - HB2 CYS 76 OK 18 85 - 22 - 3987/1.8=4, 3.0/5725=3...(11) HA GLN 105 - HB2 CYS 76 OK 12 78 - 15 - 3987/1.8=3, ~6099=2...(7) HA SER 35 - HB2 CYS 76 poor 10 85 - 12 - 3.0/6081=2, 3987/1.8=2...(5) HB THR 116 - HB2 CYS 76 lone 9 93 - 9 - 2.1/8339=2, 3987/1.8=2 HA MET 11 - HB2 CYS 76 lone 8 98 - 8 - 3987/1.8=1 HB THR 17 - HB2 CYS 76 lone 3 60 - 5 - HA LEU 93 - HB2 CYS 76 lone 2 71 - 3 - Peak 3984 from cnoeabs.peaks (2.82, 2.82, 27.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 76 + HB2 CYS 76 OK 100 100 - 100 Peak 3985 from cnoeabs.peaks (3.11, 2.82, 27.90 ppm; 4.04 A): 1 out of 8 assignments used, quality = 1.00: * HB3 CYS 76 + HB2 CYS 76 OK 100 100 - 100 - 1.8=100 HB2 PHE 107 - HB2 CYS 76 OK 29 100 - 29 - 3981/3.0=4, 2.4/7328=3...(14) HB3 ASP 100 - HB2 CYS 76 OK 21 100 - 21 - 3.0/3983=4, 3981/3.0=3...(8) HB3 CYS 52 - HB2 CYS 76 OK 17 100 - 17 - 3117/4.0=3, 3981/3.0=3...(7) HD3 ARG 57 - HB2 CYS 76 OK 11 97 - 11 - 3981/3.0=2, 1137/4.0=1 HD3 ARG 81 - HB2 CYS 76 lone 6 90 - 7 - 6082/6080=1, 365/4.7=1 HD3 ARG 53 - HB2 CYS 76 lone 6 85 - 6 - HB3 HIS 10 - HB2 CYS 76 lone 1 60 - 1 - Peak 3986 from cnoeabs.peaks (7.56, 3.11, 27.90 ppm; 3.96 A): 1 out of 4 assignments used, quality = 0.97: * H CYS 76 + HB3 CYS 76 OK 97 100 - 97 - 4.0=95, 1136/1.8=17...(4) H CYS 52 - HB3 CYS 76 OK 18 99 - 18 - 1008=4, 3982/1.8=3...(7) H SER 113 - HB3 CYS 76 OK 18 92 - 20 - 3978/3.0=5, 3982/1.8=4...(5) HE3 TRP 20 - HB3 CYS 76 OK 18 93 - 19 - 2.5/7334=4, 3982/1.8=4...(6) Peak 3987 from cnoeabs.peaks (4.36, 3.11, 27.90 ppm; 4.58 A): 1 out of 9 assignments used, quality = 1.00: * HA CYS 76 + HB3 CYS 76 OK 100 100 - 100 - 3.0=100 HA ASP 100 - HB3 CYS 76 OK 34 99 - 35 - 4635=7, 3983/1.8=6...(11) HA PHE 40 - HB3 CYS 76 OK 19 85 - 23 - 3983/1.8=4, 3.0/5726=3...(11) HA GLN 105 - HB3 CYS 76 OK 13 78 - 16 - 3.6/7786=2, 3983/1.8=2...(8) HA SER 35 - HB3 CYS 76 poor 9 85 - 11 - 3.0/6083=2, 3983/1.8=2...(4) HB THR 116 - HB3 CYS 76 lone 8 93 - 9 - 3983/1.8=2, ~8339=2, 363/4.7=1 HA MET 11 - HB3 CYS 76 lone 7 98 - 7 - 3983/1.8=2 HB THR 17 - HB3 CYS 76 lone 3 60 - 5 - HA LEU 93 - HB3 CYS 76 lone 2 71 - 3 - Peak 3988 from cnoeabs.peaks (2.82, 3.11, 27.90 ppm; 3.72 A): 1 out of 9 assignments used, quality = 1.00: * HB2 CYS 76 + HB3 CYS 76 OK 100 100 - 100 - 1.8=100 HB2 ASN 99 - HB3 CYS 76 OK 25 78 - 32 - 3.0/7332=9, ~7331=6...(12) HB2 ASN 79 - HB3 CYS 76 OK 19 73 - 26 - ~6104=5, 3980/3.0=5...(10) HB3 PHE 107 - HB3 CYS 76 OK 19 71 - 26 - ~3985=3, 2.4/4616=3...(14) HB2 TYR 67 - HB3 CYS 76 OK 12 83 - 14 - 3980/3.0=2, 1136/4.0=2...(6) HB3 TYR 67 - HB3 CYS 76 OK 12 83 - 14 - 3980/3.0=2, 1136/4.0=2...(6) HB2 ASN 108 - HB3 CYS 76 lone 5 71 - 7 - 4.0/539=1, 1.8/7804=1 HB2 ASP 36 - HB3 CYS 76 lone 5 78 - 6 - 364/4.7=2 HB2 ASP 97 - HB3 CYS 76 lone 4 63 - 7 - 1.8/7646=2, 7645=2 Peak 3989 from cnoeabs.peaks (3.11, 3.11, 27.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 76 + HB3 CYS 76 OK 100 100 - 100 Peak 3990 from cnoeabs.peaks (8.51, 3.84, 57.64 ppm; 4.17 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 77 + HA LEU 77 OK 100 100 - 100 - 3.0=100 H GLU 38 - HA LEU 77 OK 35 97 - 37 - 3.9/6676=6, 3.6/6675=6...(14) H LYS 31 - HA LEU 77 OK 28 95 - 30 - 4.0/3993=4, 4011/3.7=3...(13) H GLU 28 - HA LEU 77 OK 27 97 - 28 - 6542/4.0=8, 4.3/7343=4...(8) H PHE 40 - HA LEU 77 OK 17 81 - 20 - 1582/3.6=6, 3997/3.0=2...(9) H LEU 84 - HA LEU 77 OK 13 93 - 14 - 366/3.6=3, 4018/4.0=2...(7) H SER 13 - HA LEU 77 lone 9 98 - 9 - 4018/4.0=1, 4011/3.7=1 H GLY 2 - HA LEU 77 lone 2 78 - 2 - Peak 3991 from cnoeabs.peaks (3.84, 3.84, 57.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 77 + HA LEU 77 OK 100 100 - 100 Peak 3992 from cnoeabs.peaks (1.19, 3.84, 57.64 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 77 + HA LEU 77 OK 100 100 - 100 - 3.0=100 QG2 VAL 18 - HA LEU 77 OK 31 92 - 34 - 6361=6, 1140/3.0=4...(14) HG2 LYS 32 - HA LEU 77 OK 25 71 - 36 - 1.8/3994=4, 1140/3.0=4...(17) HB3 LEU 111 - HA LEU 77 OK 25 76 - 33 - 1.8/7343=6, 4013/3.7=4...(13) HB3 LEU 24 - HA LEU 77 OK 19 63 - 30 - 4013/3.7=3, 3.1/3996=3...(16) Peak 3993 from cnoeabs.peaks (1.71, 3.84, 57.64 ppm; 4.22 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 77 + HA LEU 77 OK 100 100 - 100 - 3.0=100 HB3 LEU 55 + HA LEU 77 OK 54 99 - 55 - 4000/3.0=8, 4014/3.7=8...(20) HB2 LYS 31 - HA LEU 77 OK 39 93 - 42 - 1141/3.0=6, 4014/3.7=4...(19) HB2 LEU 91 - HA LEU 77 poor 9 73 - 13 - 1.8/7343=3, 4014/3.7=1...(5) HG3 GLN 42 - HA LEU 77 poor 9 68 - 13 - 369/3.6=3, 5.2/5727=1...(6) HB3 ARG 71 - HA LEU 77 lone 6 87 - 6 - 1141/3.0=1 Peak 3994 from cnoeabs.peaks (1.23, 3.84, 57.64 ppm; 3.48 A): 1 out of 8 assignments used, quality = 0.94: * HG LEU 77 + HA LEU 77 OK 94 100 - 94 - 3.7=85, 2.1/3995=22...(10) HB3 LEU 24 - HA LEU 77 OK 26 92 - 29 - 370/3.6=4, 1142/3.0=3...(11) HG2 LYS 32 - HA LEU 77 OK 24 87 - 28 - 1142/3.0=3, 4001/3.0=3...(17) HG3 LYS 32 - HA LEU 77 OK 20 65 - 31 - 1.8/3992=4, 1142/3.0=3...(19) HB3 LEU 111 - HA LEU 77 OK 19 83 - 23 - 1.8/7343=5, 4001/3.0=2...(10) QG2 VAL 18 - HA LEU 77 OK 13 63 - 20 - 6361=3, 2.1/5958=3...(10) QG2 THR 19 - HA LEU 77 OK 10 73 - 14 - 2015=2, 2.1/2011=2...(4) HG13 ILE 124 - HA LEU 77 lone 8 99 - 8 - 370/3.6=2, 1142/3.0=1 Peak 3995 from cnoeabs.peaks (0.57, 3.84, 57.64 ppm; 3.39 A): 4 out of 4 assignments used, quality = 0.90: * QD2 LEU 77 + HA LEU 77 OK 83 100 - 83 - 4.0=60, 1143/3.0=14...(13) QG1 VAL 50 + HA LEU 77 OK 24 99 - 24 - 1143/3.0=4, 4016/3.7=4...(7) HG12 ILE 34 + HA LEU 77 OK 14 78 - 18 - 4002/3.0=3, 1143/3.0=2...(8) QD2 LEU 45 + HA LEU 77 OK 10 87 - 12 - 1143/3.0=2, 4016/3.7=2...(6) Peak 3996 from cnoeabs.peaks (0.69, 3.84, 57.64 ppm; 4.20 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 77 + HA LEU 77 OK 100 100 - 100 - 4.0=100 QD2 LEU 24 - HA LEU 77 OK 26 68 - 38 - 4017/3.7=5, 4003/3.0=5...(16) HG3 GLU 75 - HA LEU 77 OK 23 93 - 25 - 1144/3.0=5, 372/3.6=5...(6) QD2 LEU 54 - HA LEU 77 OK 19 87 - 22 - 1144/3.0=4, 4017/3.7=3...(8) QG1 VAL 66 - HA LEU 77 OK 19 99 - 19 - 1144/3.0=4, 372/3.6=3...(6) Peak 3997 from cnoeabs.peaks (8.51, 1.19, 41.21 ppm; 4.45 A): 1 out of 16 assignments used, quality = 1.00: * H LEU 77 + HB2 LEU 77 OK 100 100 - 100 - 4.0=100 H GLU 38 - HB2 LEU 77 OK 35 97 - 37 - 3.6/6672=7, 3.9/6677=5...(11) H GLU 28 - HB2 LEU 77 OK 31 97 - 32 - 6542/3.1=10, 4011/3.0=4...(7) H LYS 31 - HB2 LEU 77 OK 30 95 - 32 - 893/1.8=5, 4011/3.0=4...(11) H PHE 40 - HB2 LEU 77 OK 23 81 - 28 - 1582/4.3=6, 4.5/4668=5...(10) H LEU 77 - HB3 LEU 111 OK 16 55 - 29 - 3.0/3992=5, ~7343=5...(8) H LEU 84 - HB2 LEU 77 OK 14 93 - 15 - 366/4.3=2, 4018/3.1=2...(6) H GLU 38 - HB3 LEU 111 OK 12 50 - 25 - ~7900=4, 3.6/6672=4...(7) H SER 13 - HB2 LEU 77 OK 11 98 - 11 - 4018/3.1=2, 4011/3.0=2...(5) H GLU 28 - HB3 LEU 111 poor 9 50 - 18 - 100/1.8=4, ~6563=2...(5) H LEU 84 - HB3 LEU 111 poor 8 47 - 18 - 1189/3.0=4, 1189/3.1=3...(5) H PHE 40 - HB3 LEU 111 poor 6 38 - 16 - 1582/4.6=3, 159/3.0=3...(4) H LYS 31 - HB3 LEU 111 lone 4 48 - 8 - 895/1.8=2, ~2399=1, 4.6/905=1 H GLY 2 - HB2 LEU 77 lone 2 78 - 3 - H SER 13 - HB3 LEU 111 lone 1 51 - 3 - H GLY 2 - HB3 LEU 111 lone 0 36 - 1 - Peak 3998 from cnoeabs.peaks (3.84, 1.19, 41.21 ppm; 4.37 A): 1 out of 26 assignments used, quality = 1.00: * HA LEU 77 + HB2 LEU 77 OK 100 100 - 100 - 3.0=100 HA GLU 15 - HB2 LEU 77 OK 31 96 - 33 - 6319=8, 4019/3.1=4...(11) HA THR 19 - HB2 LEU 77 OK 29 100 - 29 - 3.0/49=4, 4019/3.1=3...(10) HA LEU 77 - HB3 LEU 111 OK 24 55 - 43 - 7343/1.8=8, 3992=6...(15) HA THR 33 - HB2 LEU 77 OK 22 76 - 30 - 4019/3.1=3, 4012/3.0=3...(14) HA LYS 119 - HB2 LEU 77 OK 20 100 - 20 - 4019/3.1=2, 1139/4.0=2...(8) HA THR 116 - HB3 LEU 111 OK 18 52 - 34 - ~5881=5, ~5880=4...(15) HA THR 116 - HB2 LEU 77 OK 15 99 - 15 - 4019/3.1=2, 1139/4.0=2...(6) HA LYS 119 - HB3 LEU 111 OK 14 54 - 26 - 6266/3.8=9, 6272/1.8=5...(7) HA THR 19 - HB3 LEU 111 OK 13 54 - 24 - 3.0/49=6, ~5881=3...(9) HB THR 33 - HB2 LEU 77 OK 11 73 - 15 - 4.0/5728=2, 4019/3.1=1...(8) HA3 GLY 104 - HB2 LEU 77 poor 10 87 - 11 - 5849/4.3=2, 3.6/5728=1...(5) HA GLU 15 - HB3 LEU 111 poor 8 49 - 16 - 6319=4, 5959/4.6=2...(4) HB2 SER 35 - HB2 LEU 77 lone 6 85 - 7 - 4019/3.1=1 HA3 GLY 88 - HB2 LEU 77 lone 6 73 - 7 - HB2 SER 35 - HB3 LEU 111 poor 5 40 - 13 - ~6290=3, ~7900=2...(4) HA2 GLY 88 - HB2 LEU 77 lone 5 63 - 7 - HB3 SER 29 - HB2 LEU 77 lone 4 71 - 6 - HB2 SER 29 - HB2 LEU 77 lone 4 68 - 6 - HA THR 33 - HB3 LEU 111 lone 3 35 - 7 - 2.9/132=1 HB THR 33 - HB3 LEU 111 lone 2 33 - 7 - 4.0/132=1, ~7899=1 HB3 SER 29 - HB3 LEU 111 lone 2 32 - 6 - ~6574=1, 6576/3.1=1, ~6576=1 HB2 SER 29 - HB3 LEU 111 lone 2 31 - 6 - ~6574=1, 6576/3.1=1, ~6576=1 HA3 GLY 88 - HB3 LEU 111 lone 1 33 - 3 - ~7554=1 HA2 GLY 88 - HB3 LEU 111 lone 1 28 - 3 - ~7554=1 HA3 GLY 104 - HB3 LEU 111 lone 1 42 - 2 - Peak 3999 from cnoeabs.peaks (1.19, 1.19, 41.21 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 77 + HB2 LEU 77 OK 100 100 - 100 HB3 LEU 111 - HB3 LEU 111 OK 35 35 - 100 Peak 4000 from cnoeabs.peaks (1.71, 1.19, 41.21 ppm; 3.65 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 77 + HB2 LEU 77 OK 100 100 - 100 - 1.8=100 HB3 LEU 55 + HB2 LEU 77 OK 56 99 - 57 - 4006=10, 4014/3.0=7...(22) HB2 LYS 31 - HB2 LEU 77 OK 29 93 - 32 - 3993/3.0=4, 1141/4.0=4...(13) HB3 LEU 77 - HB3 LEU 111 OK 21 55 - 38 - 4006=5, 3.0/4013=4...(16) HB2 LEU 91 - HB3 LEU 111 OK 13 33 - 38 - ~5002=3, 4385/3.0=3...(19) HB2 LEU 91 - HB2 LEU 77 poor 8 73 - 11 - 4014/3.0=1, ~7343=1...(5) HG3 GLN 42 - HB2 LEU 77 poor 8 68 - 12 - 369/4.3=2, 5.2/5728=1...(4) HB3 LEU 55 - HB3 LEU 111 poor 6 53 - 11 - ~7011=1, 4006=1, ~8418=1 HB3 ARG 71 - HB2 LEU 77 lone 5 87 - 5 - HB2 LYS 31 - HB3 LEU 111 lone 4 47 - 9 - 2409/1.8=1, ~2419=1 HG3 GLN 42 - HB3 LEU 111 poor 4 31 - 13 - 2851/4.6=2, ~6013=2...(4) HB3 ARG 71 - HB3 LEU 111 lone 1 42 - 2 - Peak 4001 from cnoeabs.peaks (1.23, 1.19, 41.21 ppm; 3.44 A): 1 out of 15 assignments used, quality = 1.00: * HG LEU 77 + HB2 LEU 77 OK 100 100 - 100 - 3.0=100 HB3 LEU 24 - HB2 LEU 77 OK 37 92 - 40 - 4022/3.1=4, 4029/3.1=4...(22) HG2 LYS 32 - HB2 LEU 77 OK 32 87 - 37 - 3994/3.0=3, 4008/1.8=3...(20) HG3 LYS 32 - HB2 LEU 77 OK 26 65 - 40 - 3994/3.0=3, 4022/3.1=2...(24) HB3 LEU 111 - HB2 LEU 77 OK 25 83 - 31 - 1.8/5000=4, ~7343=3...(16) HG LEU 77 - HB3 LEU 111 OK 20 55 - 37 - 4013=6, 2.1/4020=4...(15) QG2 VAL 18 - HB2 LEU 77 OK 17 63 - 27 - 2.1/1994=3, 2.1/2004=3...(9) HG13 ILE 124 - HB2 LEU 77 OK 11 99 - 11 - 370/4.3=1, 4008/1.8=1 QG2 THR 19 - HB2 LEU 77 OK 10 73 - 14 - 4.0/49=2, 3.2/3998=2...(4) QG2 VAL 18 - HB3 LEU 111 poor 9 28 - 31 - 2.1/1994=3, 5000/1.8=3...(12) HB3 LEU 24 - HB3 LEU 111 poor 7 45 - 16 - 5000/1.8=2, 4993/3.0=1...(7) HG13 ILE 124 - HB3 LEU 111 poor 7 53 - 13 - ~8120=2, ~8115=2...(4) HG2 LYS 32 - HB3 LEU 111 poor 5 42 - 12 - 1.8/2529=1, 5000/1.8=1...(4) HG3 LYS 32 - HB3 LEU 111 poor 3 29 - 10 - 3.0/2499=1, ~5000=1, 3.0/2509=1 QG2 THR 19 - HB3 LEU 111 lone 2 33 - 7 - 4.0/49=3 Peak 4002 from cnoeabs.peaks (0.57, 1.19, 41.21 ppm; 4.13 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 77 + HB2 LEU 77 OK 100 100 - 100 - 3.1=100 QG1 VAL 50 - HB2 LEU 77 OK 36 99 - 36 - 3995/3.0=7, 4016/3.0=6...(11) HG12 ILE 34 - HB2 LEU 77 OK 26 78 - 34 - 2.1/6650=7, 3.2/6634=5...(12) QD2 LEU 77 - HB3 LEU 111 OK 23 55 - 42 - 7345/1.8=7, 4020=6...(15) QD2 LEU 45 - HB2 LEU 77 OK 19 87 - 21 - 4016/3.0=3, 3995/3.0=3...(10) HG12 ILE 34 - HB3 LEU 111 poor 5 36 - 13 - ~6652=4, 2.1/6650=4, 3.2/6634=3 QD2 LEU 45 - HB3 LEU 111 lone 2 42 - 5 - QG1 VAL 50 - HB3 LEU 111 lone 2 53 - 4 - Peak 4003 from cnoeabs.peaks (0.69, 1.19, 41.21 ppm; 3.78 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 77 + HB2 LEU 77 OK 100 100 - 100 - 3.1=100 QD2 LEU 24 - HB2 LEU 77 OK 32 68 - 47 - 4017/3.0=5, 4024/3.1=4...(29) HG3 GLU 75 - HB2 LEU 77 OK 32 93 - 34 - 4017/3.0=4, 4024/3.1=4...(16) QD2 LEU 54 - HB2 LEU 77 OK 22 87 - 26 - 4024/3.1=3, 4017/3.0=3...(12) QG1 VAL 66 - HB2 LEU 77 OK 20 99 - 20 - 4010/1.8=3, 4017/3.0=3...(9) QD1 LEU 77 - HB3 LEU 111 OK 20 55 - 36 - 2.1/4013=5, 4027=5...(12) QG1 VAL 66 - HB3 LEU 111 lone 5 53 - 9 - 3674/3.0=1, 3674/3.1=1 QD2 LEU 24 - HB3 LEU 111 poor 5 31 - 16 - 2.1/2218=1, 2225=1...(6) HG3 GLU 75 - HB3 LEU 111 lone 3 47 - 7 - 3973/3.0=1 QD2 LEU 54 - HB3 LEU 111 lone 2 42 - 4 - Peak 4004 from cnoeabs.peaks (8.51, 1.71, 41.21 ppm; 4.33 A): 1 out of 16 assignments used, quality = 1.00: * H LEU 77 + HB3 LEU 77 OK 100 100 - 100 - 4.0=100 H LEU 77 - HB3 LEU 55 OK 39 94 - 41 - 1141=8, 3.0/3993=8...(8) H LYS 31 - HB3 LEU 55 OK 33 85 - 39 - 2.9/2397=6, 893=6...(15) H LYS 31 - HB3 LEU 77 OK 33 95 - 34 - 893=5, 4011/3.0=4...(12) H GLU 28 - HB3 LEU 77 OK 28 97 - 29 - 6542/3.1=10, 4011/3.0=4...(6) H GLU 38 - HB3 LEU 77 OK 24 97 - 24 - 3990/3.0=5, 3997/1.8=4...(8) H PHE 40 - HB3 LEU 77 OK 18 81 - 22 - 1582/4.3=6, 4.5/7002=3...(8) H GLU 28 - HB3 LEU 55 OK 16 88 - 19 - 884/3.0=3, 103/3.1=2...(7) H GLU 38 - HB3 LEU 55 OK 16 88 - 18 - 151/3.0=3, 1447/4.0=3...(7) H LEU 84 - HB3 LEU 77 OK 12 93 - 13 - 366/4.3=2, 4018/3.1=2...(6) H SER 13 - HB3 LEU 77 lone 10 98 - 10 - 4018/3.1=2, 4011/3.0=1...(5) H LEU 84 - HB3 LEU 55 lone 7 84 - 9 - 4.6/7002=3 H PHE 40 - HB3 LEU 55 lone 7 71 - 10 - 4.5/7002=4, 158/4.0=1 H SER 13 - HB3 LEU 55 lone 4 90 - 5 - H GLY 2 - HB3 LEU 77 lone 2 78 - 3 - H GLY 2 - HB3 LEU 55 lone 1 68 - 1 - Peak 4005 from cnoeabs.peaks (3.84, 1.71, 41.21 ppm; 4.54 A): 2 out of 26 assignments used, quality = 1.00: * HA LEU 77 + HB3 LEU 77 OK 100 100 - 100 - 3.0=100 HA LEU 77 + HB3 LEU 55 OK 58 94 - 63 - 3993=12, 3.7/4014=9...(20) HA THR 19 - HB3 LEU 77 OK 30 100 - 30 - 4019/3.1=4, 4012/3.0=3...(14) HA GLU 15 - HB3 LEU 77 OK 28 96 - 29 - 6319/1.8=8, 4019/3.1=4...(10) HA LYS 119 - HB3 LEU 55 OK 28 92 - 30 - 6267/4.2=4, ~6077=3...(14) HA THR 33 - HB3 LEU 77 OK 22 76 - 30 - 4019/3.1=3, 4012/3.0=3...(14) HA LYS 119 - HB3 LEU 77 OK 21 100 - 21 - 4019/3.1=3, 3998/1.8=2...(7) HA THR 19 - HB3 LEU 55 OK 16 92 - 17 - ~6375=2, ~6378=2...(7) HA THR 116 - HB3 LEU 77 OK 15 99 - 15 - 4019/3.1=2, 3998/1.8=2...(6) HA THR 116 - HB3 LEU 55 OK 14 91 - 16 - ~7010=2, ~1776=2...(6) HB THR 33 - HB3 LEU 77 OK 11 73 - 15 - 4.0/5729=2, 4012/3.0=2...(9) HA3 GLY 104 - HB3 LEU 77 OK 10 87 - 12 - 5849/4.3=2, 3.6/5729=2...(8) HA THR 33 - HB3 LEU 55 poor 8 66 - 13 - 2.9/3233=2, ~3226=2...(5) HA3 GLY 88 - HB3 LEU 77 lone 6 73 - 8 - ~7336=1 HB2 SER 35 - HB3 LEU 77 lone 5 85 - 6 - 4019/3.1=1, 1139/4.0=1 HA2 GLY 88 - HB3 LEU 77 lone 5 63 - 8 - ~7336=1 HB3 SER 29 - HB3 LEU 77 lone 4 71 - 6 - HB2 SER 29 - HB3 LEU 77 lone 4 68 - 5 - HA3 GLY 88 - HB3 LEU 55 lone 4 64 - 6 - ~7553=3 HA GLU 15 - HB3 LEU 55 lone 3 86 - 4 - HB THR 33 - HB3 LEU 55 lone 3 64 - 5 - 4.0/3233=2 HA2 GLY 88 - HB3 LEU 55 lone 3 54 - 6 - ~7553=3 HB3 SER 29 - HB3 LEU 55 lone 3 61 - 5 - HB2 SER 29 - HB3 LEU 55 lone 3 59 - 5 - HB2 SER 35 - HB3 LEU 55 lone 2 75 - 3 - HA3 GLY 104 - HB3 LEU 55 lone 2 77 - 3 - Peak 4006 from cnoeabs.peaks (1.19, 1.71, 41.21 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 77 + HB3 LEU 77 OK 100 100 - 100 - 1.8=100 HB2 LEU 77 + HB3 LEU 55 OK 52 94 - 56 - 4000=10, 3.0/4014=7...(22) HB3 LEU 111 - HB3 LEU 77 OK 27 76 - 36 - 4013/3.0=4, 4000=4...(15) QG2 VAL 18 - HB3 LEU 77 OK 25 92 - 27 - 3992/3.0=4, 4013/3.0=3...(10) HG2 LYS 32 - HB3 LEU 77 OK 25 71 - 35 - 4013/3.0=4, 3992/3.0=3...(16) HB3 LEU 24 - HB3 LEU 77 OK 22 63 - 34 - 4013/3.0=4, 4020/3.1=3...(19) HB3 LEU 111 - HB3 LEU 55 poor 7 66 - 11 - ~7011=1, 4000=1, ~8418=1 QG2 VAL 18 - HB3 LEU 55 lone 7 82 - 8 - HG2 LYS 32 - HB3 LEU 55 lone 4 61 - 6 - 5.0/120=2 HB3 LEU 24 - HB3 LEU 55 lone 2 54 - 5 - Peak 4007 from cnoeabs.peaks (1.71, 1.71, 41.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 77 + HB3 LEU 77 OK 100 100 - 100 HB3 LEU 55 + HB3 LEU 55 OK 91 91 - 100 Peak 4008 from cnoeabs.peaks (1.23, 1.71, 41.21 ppm; 3.78 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 77 + HB3 LEU 77 OK 100 100 - 100 - 3.0=100 HG LEU 77 + HB3 LEU 55 OK 52 94 - 56 - 4014=13, 2.1/4021=9...(20) HB3 LEU 24 - HB3 LEU 77 OK 38 92 - 42 - 4001/1.8=5, 4022/3.1=4...(21) HG2 LYS 32 - HB3 LEU 77 OK 32 87 - 38 - 4001/1.8=4, 3994/3.0=4...(17) HG3 LYS 32 - HB3 LEU 77 OK 28 65 - 43 - 1.8/4006=4, 4001/1.8=3...(22) HB3 LEU 111 - HB3 LEU 77 OK 27 83 - 33 - ~5000=3, 4001/1.8=3...(15) QG2 VAL 18 - HB3 LEU 77 OK 13 63 - 20 - ~1994=3, 6361/3.0=2...(10) HG13 ILE 124 - HB3 LEU 77 OK 12 99 - 12 - 370/4.3=2, 4001/1.8=1...(7) HG13 ILE 124 - HB3 LEU 55 OK 12 92 - 13 - 5364/1.8=2, 5365/3.1=1 QG2 THR 19 - HB3 LEU 77 OK 11 73 - 15 - 3.2/4005=2, 2015/3.0=1...(6) QG2 THR 19 - HB3 LEU 55 poor 7 64 - 12 - 6375/3.1=2, 6378/3.0=2...(4) HB3 LEU 111 - HB3 LEU 55 lone 7 73 - 9 - ~7011=2, ~8418=1 HG2 LYS 32 - HB3 LEU 55 lone 5 77 - 7 - 5.0/120=2 HB3 LEU 24 - HB3 LEU 55 lone 4 82 - 5 - HG3 LYS 32 - HB3 LEU 55 lone 4 56 - 7 - 5.0/120=2 QG2 VAL 18 - HB3 LEU 55 lone 4 54 - 7 - Peak 4009 from cnoeabs.peaks (0.57, 1.71, 41.21 ppm; 4.33 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 77 + HB3 LEU 77 OK 100 100 - 100 - 3.1=100 QD2 LEU 77 + HB3 LEU 55 OK 61 94 - 65 - 4021=13, 2.1/4014=11...(23) QG1 VAL 50 - HB3 LEU 77 OK 39 99 - 39 - 3995/3.0=7, 4002/1.8=7...(12) QG1 VAL 50 - HB3 LEU 55 OK 32 92 - 35 - ~6047=4, ~7015=4...(13) HG12 ILE 34 - HB3 LEU 77 OK 26 78 - 33 - ~6650=5, 4002/1.8=5...(12) QD2 LEU 45 - HB3 LEU 77 OK 20 87 - 22 - 4002/1.8=4, 4016/3.0=3...(10) QD2 LEU 45 - HB3 LEU 55 lone 6 77 - 8 - HG12 ILE 34 - HB3 LEU 55 lone 3 68 - 5 - Peak 4010 from cnoeabs.peaks (0.69, 1.71, 41.21 ppm; 3.87 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 77 + HB3 LEU 77 OK 100 100 - 100 - 3.1=100 QD1 LEU 77 + HB3 LEU 55 OK 54 94 - 58 - 4028=11, 2.1/4021=9...(21) HG3 GLU 75 - HB3 LEU 77 OK 34 93 - 37 - 4003/1.8=5, 4017/3.0=5...(16) QD2 LEU 24 - HB3 LEU 77 OK 29 68 - 43 - 4017/3.0=5, 4003/1.8=5...(23) QD2 LEU 54 - HB3 LEU 55 OK 25 77 - 32 - ~7008=10, 249/4.0=7...(7) QD2 LEU 54 - HB3 LEU 77 OK 24 87 - 28 - 4003/1.8=4, 4024/3.1=3...(12) QG1 VAL 66 - HB3 LEU 77 OK 23 99 - 23 - 4003/1.8=3, 4017/3.0=3...(10) QG1 VAL 66 - HB3 LEU 55 OK 22 91 - 24 - 7200/4.0=5, 7180/1.8=3...(7) HG3 GLU 75 - HB3 LEU 55 lone 6 84 - 7 - 249/4.0=2 QD2 LEU 24 - HB3 LEU 55 lone 3 59 - 5 - Peak 4011 from cnoeabs.peaks (8.51, 1.23, 26.67 ppm; 3.88 A): 5 out of 8 assignments used, quality = 0.95: * H LEU 77 + HG LEU 77 OK 88 100 - 88 - 5.0=47, 1143/2.1=22...(13) H LYS 31 + HG LEU 77 OK 21 95 - 23 - 4018/2.1=4, 4.0/4014=3...(8) H GLU 28 + HG LEU 77 OK 20 97 - 21 - 6542/2.1=9, 4025/2.1=3...(5) H GLU 38 + HG LEU 77 OK 17 97 - 18 - 3990/3.7=4, 4018/2.1=3...(6) H PHE 40 + HG LEU 77 OK 12 81 - 15 - 4018/2.1=2, 4025/2.1=2...(7) H LEU 84 - HG LEU 77 lone 9 93 - 9 - 4018/2.1=2, 4025/2.1=1...(4) H SER 13 - HG LEU 77 lone 7 98 - 7 - 4018/2.1=2, 4025/2.1=1 H GLY 2 - HG LEU 77 lone 1 78 - 2 - Peak 4012 from cnoeabs.peaks (3.84, 1.23, 26.67 ppm; 4.31 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 77 + HG LEU 77 OK 100 100 - 100 - 3.7=100 HA GLU 15 - HG LEU 77 OK 24 96 - 25 - 6319/3.0=6, 4019/2.1=4...(7) HA THR 19 - HG LEU 77 OK 23 100 - 23 - 4019/2.1=4, 4026/2.1=3...(7) HA THR 33 - HG LEU 77 OK 18 76 - 24 - 4019/2.1=3, 2.9/132=3...(12) HA LYS 119 - HG LEU 77 OK 14 100 - 14 - 4019/2.1=3, 4026/2.1=2...(5) HA THR 116 - HG LEU 77 OK 11 99 - 11 - 4019/2.1=2, 4026/2.1=1...(5) HB THR 33 - HG LEU 77 OK 11 73 - 15 - 4.0/132=3, 4019/2.1=2...(5) HA3 GLY 104 - HG LEU 77 lone 7 87 - 8 - 3.6/5730=2, 4019/2.1=1 HA3 GLY 88 - HG LEU 77 lone 5 73 - 7 - ~7336=1, 4019/2.1=1 HB2 SER 35 - HG LEU 77 lone 4 85 - 5 - 4019/2.1=1 HA2 GLY 88 - HG LEU 77 lone 4 63 - 7 - ~7336=1 HB3 SER 29 - HG LEU 77 lone 3 71 - 5 - HB2 SER 29 - HG LEU 77 lone 3 68 - 5 - Peak 4013 from cnoeabs.peaks (1.19, 1.23, 26.67 ppm; 3.17 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 77 + HG LEU 77 OK 100 100 - 100 - 3.0=100 HB3 LEU 111 - HG LEU 77 OK 24 76 - 32 - 1.8/5000=4, 4020/2.1=4...(13) HB3 LEU 24 - HG LEU 77 OK 23 63 - 37 - 1.8/2204=4, 3.0/2197=4...(16) HG2 LYS 32 - HG LEU 77 OK 22 71 - 32 - 1.8/2529=4, 4020/2.1=3...(16) QG2 VAL 18 - HG LEU 77 OK 20 92 - 22 - 4020/2.1=3, 4027/2.1=3...(7) Peak 4014 from cnoeabs.peaks (1.71, 1.23, 26.67 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 77 + HG LEU 77 OK 100 100 - 100 - 3.0=100 HB3 LEU 55 + HG LEU 77 OK 52 99 - 53 - 4021/2.1=9, 4028/2.1=8...(20) HB2 LYS 31 - HG LEU 77 OK 27 93 - 29 - 4021/2.1=5, 4028/2.1=4...(11) HB2 LEU 91 - HG LEU 77 poor 9 73 - 12 - 3.1/8368=3, 4021/2.1=2...(4) HG3 GLN 42 - HG LEU 77 lone 7 68 - 10 - 5.2/5730=1, 4021/2.1=1 HB3 ARG 71 - HG LEU 77 lone 4 87 - 5 - Peak 4015 from cnoeabs.peaks (1.23, 1.23, 26.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 77 + HG LEU 77 OK 100 100 - 100 Peak 4016 from cnoeabs.peaks (0.57, 1.23, 26.67 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 77 + HG LEU 77 OK 100 100 - 100 - 2.1=100 QG1 VAL 50 - HG LEU 77 OK 28 99 - 28 - 4030/2.1=5, 3995/3.7=4...(9) HG12 ILE 34 - HG LEU 77 OK 18 78 - 23 - 4002/3.0=3, 4030/2.1=3...(11) QD2 LEU 45 - HG LEU 77 OK 15 87 - 17 - 4030/2.1=3, 4002/3.0=2...(9) Peak 4017 from cnoeabs.peaks (0.69, 1.23, 26.67 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 77 + HG LEU 77 OK 100 100 - 100 - 2.1=100 QD2 LEU 24 - HG LEU 77 OK 32 68 - 47 - 2225=5, 2.1/2232=5...(23) HG3 GLU 75 - HG LEU 77 OK 28 93 - 31 - 4024/2.1=5, 1.8/7344=4...(13) QD2 LEU 54 - HG LEU 77 OK 21 87 - 24 - 4024/2.1=4, 4029=3...(11) QG1 VAL 66 - HG LEU 77 OK 16 99 - 16 - 4024/2.1=3, 4003/3.0=2...(8) Peak 4018 from cnoeabs.peaks (8.51, 0.57, 22.68 ppm; 3.84 A): 2 out of 8 assignments used, quality = 0.93: * H LEU 77 + QD2 LEU 77 OK 89 100 - 89 - 4.7=56, 3.0/3995=21...(10) H GLU 28 + QD2 LEU 77 OK 38 97 - 40 - 6542=8, 3.6/7352=5...(11) H LYS 31 - QD2 LEU 77 OK 22 95 - 23 - 4011/2.1=4, 4.0/4021=3...(8) H GLU 38 - QD2 LEU 77 OK 18 97 - 18 - 4011/2.1=3, 3990/4.0=3...(6) H PHE 40 - QD2 LEU 77 OK 14 81 - 17 - 4011/2.1=2, 4025/2.1=2...(8) H LEU 84 - QD2 LEU 77 OK 12 93 - 13 - 4011/2.1=2, 4025/2.1=1...(5) H SER 13 - QD2 LEU 77 poor 10 98 - 10 - 4011/2.1=1, 4.6/7349=1 H GLY 2 - QD2 LEU 77 lone 2 78 - 2 - Peak 4019 from cnoeabs.peaks (3.84, 0.57, 22.68 ppm; 3.14 A): 4 out of 13 assignments used, quality = 0.83: * HA LEU 77 + QD2 LEU 77 OK 74 100 - 74 - 4.0=47, 3994/2.1=12...(12) HA GLU 15 + QD2 LEU 77 OK 14 96 - 14 - 6319/3.1=3, 3.0/7341=3...(4) HA THR 19 + QD2 LEU 77 OK 13 100 - 13 - 4012/2.1=2, 4026/2.1=1...(4) HA THR 33 + QD2 LEU 77 OK 11 76 - 14 - 4012/2.1=1, 2.9/5731=1...(5) HA LYS 119 - QD2 LEU 77 lone 9 100 - 9 - 4012/2.1=1 HA THR 116 - QD2 LEU 77 lone 7 99 - 7 - HB THR 33 - QD2 LEU 77 lone 6 73 - 8 - 4.0/5731=1 HA3 GLY 104 - QD2 LEU 77 lone 4 87 - 5 - 3.6/5731=1, 7770/7336=1 HB2 SER 35 - QD2 LEU 77 lone 4 85 - 5 - 4.5/7336=2 HA3 GLY 88 - QD2 LEU 77 lone 3 73 - 4 - HA2 GLY 88 - QD2 LEU 77 lone 3 63 - 4 - HB3 SER 29 - QD2 LEU 77 lone 2 71 - 3 - HB2 SER 29 - QD2 LEU 77 lone 2 68 - 2 - Peak 4020 from cnoeabs.peaks (1.19, 0.57, 22.68 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 77 + QD2 LEU 77 OK 100 100 - 100 - 3.1=100 HB3 LEU 111 - QD2 LEU 77 OK 21 76 - 28 - 1.8/7345=5, 4013/2.1=4...(10) QG2 VAL 18 - QD2 LEU 77 OK 20 92 - 21 - 4013/2.1=4, 4027/2.1=3...(6) HB3 LEU 24 - QD2 LEU 77 OK 20 63 - 31 - 4013/2.1=4, 4027/2.1=3...(17) HG2 LYS 32 - QD2 LEU 77 OK 19 71 - 26 - 4013/2.1=4, 1.8/4022=3...(11) Peak 4021 from cnoeabs.peaks (1.71, 0.57, 22.68 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 77 + QD2 LEU 77 OK 100 100 - 100 - 3.1=100 HB3 LEU 55 + QD2 LEU 77 OK 53 99 - 53 - 4014/2.1=9, 4028/2.1=8...(20) HB2 LYS 31 - QD2 LEU 77 OK 28 93 - 30 - 4014/2.1=5, 4028/2.1=4...(12) HB2 LEU 91 - QD2 LEU 77 poor 9 73 - 12 - 1.8/7345=2, 4014/2.1=2...(4) HG3 GLN 42 - QD2 LEU 77 poor 7 68 - 10 - 5.2/5731=1, 4014/2.1=1 HB3 ARG 71 - QD2 LEU 77 lone 6 87 - 6 - 4.0/7342=1 Peak 4022 from cnoeabs.peaks (1.23, 0.57, 22.68 ppm; 2.89 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 77 + QD2 LEU 77 OK 100 100 - 100 - 2.1=100 HB3 LEU 24 - QD2 LEU 77 OK 24 92 - 26 - 4029/2.1=3, 3.1/4024=2...(15) HG2 LYS 32 - QD2 LEU 77 OK 16 87 - 19 - 4029/2.1=2, 2520/2.1=2...(10) HG3 LYS 32 - QD2 LEU 77 OK 15 65 - 24 - 1.8/4020=3, 2529/2.1=2...(12) HB3 LEU 111 - QD2 LEU 77 OK 14 83 - 17 - 1.8/7345=4, ~5000=2...(7) QG2 THR 19 - QD2 LEU 77 lone 7 73 - 9 - 3.2/4019=2 HG13 ILE 124 - QD2 LEU 77 lone 7 99 - 7 - QG2 VAL 18 - QD2 LEU 77 poor 6 63 - 10 - 6361/4.0=1 Peak 4023 from cnoeabs.peaks (0.57, 0.57, 22.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 77 + QD2 LEU 77 OK 100 100 - 100 Peak 4024 from cnoeabs.peaks (0.69, 0.57, 22.68 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 77 + QD2 LEU 77 OK 100 100 - 100 - 2.1=100 HG3 GLU 75 - QD2 LEU 77 OK 18 93 - 19 - 4017/2.1=3, 1.8/7346=2...(11) QD2 LEU 24 - QD2 LEU 77 OK 16 68 - 24 - 4017/2.1=3, 3.1/4022=2...(10) QD2 LEU 54 - QD2 LEU 77 OK 15 87 - 17 - 4030=3, 4017/2.1=2...(6) QG1 VAL 66 - QD2 LEU 77 OK 11 99 - 11 - 4017/2.1=2, 4003/3.1=1 Peak 4025 from cnoeabs.peaks (8.51, 0.69, 25.71 ppm; 4.21 A): 1 out of 16 assignments used, quality = 0.95: * H LEU 77 + QD1 LEU 77 OK 95 100 - 95 - 4.7=73, 1143/2.1=25...(12) H GLU 28 - QD1 LEU 77 OK 25 97 - 26 - 6542/2.1=11, 4011/2.1=5...(5) H LYS 31 - QD1 LEU 77 OK 23 95 - 25 - 4011/2.1=5, 4018/2.1=4...(7) H GLU 38 - QD1 LEU 77 OK 20 97 - 21 - 4011/2.1=4, 3990/4.0=4...(6) H LEU 77 - QD2 LEU 54 OK 15 57 - 27 - 1144=5, 3.0/3996=3...(9) H PHE 40 - QD1 LEU 77 OK 14 81 - 17 - 4018/2.1=3, 4011/2.1=3...(8) H LEU 84 - QD1 LEU 77 OK 10 93 - 11 - 4018/2.1=2, 4011/2.1=2...(5) H GLU 38 - QD2 LEU 54 poor 9 51 - 18 - ~3206=3, ~3199=3...(7) H SER 13 - QD1 LEU 77 lone 9 98 - 9 - 4018/2.1=2, 4011/2.1=2 H GLU 28 - QD2 LEU 54 lone 4 51 - 7 - 6543/3.1=2 H PHE 40 - QD2 LEU 54 lone 2 39 - 6 - 1579/4.0=1, 4.6/7384=1 H GLY 2 - QD1 LEU 77 lone 2 78 - 2 - H LEU 84 - QD2 LEU 54 lone 2 48 - 4 - H LYS 31 - QD2 LEU 54 lone 2 49 - 4 - H SER 13 - QD2 LEU 54 lone 1 53 - 2 - H GLY 2 - QD2 LEU 54 lone 0 38 - 1 - Peak 4026 from cnoeabs.peaks (3.84, 0.69, 25.71 ppm; 4.39 A): 1 out of 26 assignments used, quality = 1.00: * HA LEU 77 + QD1 LEU 77 OK 100 100 - 100 - 4.0=100 HA THR 19 - QD1 LEU 77 OK 23 100 - 23 - 4019/2.1=4, 4012/2.1=4...(9) HA GLU 15 - QD1 LEU 77 OK 23 96 - 24 - 6319/3.1=6, 4019/2.1=4...(6) HA THR 33 - QD1 LEU 77 OK 19 76 - 26 - 4019/2.1=3, 4012/2.1=3...(13) HA LEU 77 - QD2 LEU 54 OK 14 57 - 25 - 3996=5, 3.0/1144=4...(8) HA LYS 119 - QD1 LEU 77 OK 14 100 - 14 - 4019/2.1=3, 4012/2.1=2...(5) HA THR 116 - QD1 LEU 77 OK 11 99 - 12 - 4019/2.1=2, 4012/2.1=2...(6) HB THR 33 - QD1 LEU 77 poor 10 73 - 13 - 4.0/5732=2, ~4019=2...(5) HA3 GLY 104 - QD1 LEU 77 lone 7 87 - 8 - 3.6/5732=2, 4019/2.1=1...(4) HA THR 116 - QD2 LEU 54 poor 6 54 - 11 - 7984/3.1=2, ~3209=1...(5) HA LYS 119 - QD2 LEU 54 lone 5 55 - 10 - ~6976=4, ~606=2 HA3 GLY 88 - QD1 LEU 77 lone 5 73 - 7 - ~7336=1, 4019/2.1=1 HA THR 33 - QD2 LEU 54 poor 5 36 - 13 - ~5625=3, ~5624=3...(5) HA2 GLY 88 - QD1 LEU 77 lone 4 63 - 7 - ~7336=1 HB2 SER 35 - QD1 LEU 77 lone 4 85 - 5 - 4019/2.1=1 HA THR 19 - QD2 LEU 54 lone 4 55 - 6 - HB3 SER 29 - QD1 LEU 77 lone 3 71 - 5 - HB2 SER 29 - QD1 LEU 77 lone 3 68 - 5 - HA GLU 15 - QD2 LEU 54 lone 2 50 - 4 - HB2 SER 35 - QD2 LEU 54 lone 2 42 - 4 - HB THR 33 - QD2 LEU 54 lone 1 35 - 2 - HA3 GLY 104 - QD2 LEU 54 lone 1 43 - 2 - HB3 SER 29 - QD2 LEU 54 lone 1 33 - 2 - HB2 SER 29 - QD2 LEU 54 lone 1 32 - 2 - HA3 GLY 88 - QD2 LEU 54 lone 0 35 - 1 - HA2 GLY 88 - QD2 LEU 54 lone 0 29 - 1 - Peak 4027 from cnoeabs.peaks (1.19, 0.69, 25.71 ppm; 3.36 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 77 + QD1 LEU 77 OK 100 100 - 100 - 3.1=100 HB3 LEU 24 - QD1 LEU 77 OK 23 63 - 36 - 4013/2.1=4, 4020/2.1=4...(20) HB3 LEU 111 - QD1 LEU 77 OK 21 76 - 28 - 4013/2.1=4, 4020/2.1=4...(10) HG2 LYS 32 - QD1 LEU 77 OK 20 71 - 28 - 4013/2.1=4, 4020/2.1=4...(11) QG2 VAL 18 - QD1 LEU 77 OK 19 92 - 21 - 4020/2.1=4, 4013/2.1=4...(7) HB2 LEU 77 - QD2 LEU 54 OK 12 57 - 21 - 4003=3, 3.1/4024=3...(9) HB3 LEU 24 - QD2 LEU 54 OK 10 29 - 36 - ~6993=13, ~6464=6...(8) QG2 VAL 18 - QD2 LEU 54 lone 3 47 - 6 - ~6986=1 HG2 LYS 32 - QD2 LEU 54 lone 2 33 - 6 - HB3 LEU 111 - QD2 LEU 54 lone 1 36 - 3 - Peak 4028 from cnoeabs.peaks (1.71, 0.69, 25.71 ppm; 3.55 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 77 + QD1 LEU 77 OK 100 100 - 100 - 3.1=100 HB3 LEU 55 + QD1 LEU 77 OK 50 99 - 50 - 4021/2.1=8, 4014/2.1=8...(21) HB2 LYS 31 - QD1 LEU 77 OK 24 93 - 25 - 4021/2.1=4, 4014/2.1=4...(8) HB3 LEU 55 - QD2 LEU 54 OK 15 54 - 28 - ~7008=8, 4.0/249=6...(7) HB3 LEU 77 - QD2 LEU 54 OK 14 57 - 24 - 1.8/4003=3, 3.1/4024=3...(9) HB2 LEU 91 - QD1 LEU 77 lone 7 73 - 10 - 4021/2.1=1, 4014/2.1=1...(4) HG3 GLN 42 - QD1 LEU 77 lone 6 68 - 9 - 4021/2.1=1, 4014/2.1=1 HB3 ARG 71 - QD1 LEU 77 lone 5 87 - 5 - HB2 LYS 31 - QD2 LEU 54 lone 1 48 - 3 - HB2 LEU 91 - QD2 LEU 54 lone 1 35 - 3 - HB3 ARG 71 - QD2 LEU 54 lone 1 43 - 2 - HG3 GLN 42 - QD2 LEU 54 lone 0 32 - 2 - Peak 4029 from cnoeabs.peaks (1.23, 0.69, 25.71 ppm; 3.23 A): 1 out of 16 assignments used, quality = 1.00: * HG LEU 77 + QD1 LEU 77 OK 100 100 - 100 - 2.1=100 HB3 LEU 24 - QD1 LEU 77 OK 33 92 - 36 - 4022/2.1=5, 2213=3...(18) HG2 LYS 32 - QD1 LEU 77 OK 21 87 - 24 - 4022/2.1=3, 4001/3.1=2...(11) HG3 LYS 32 - QD1 LEU 77 OK 19 65 - 29 - 1.8/4027=3, 4022/2.1=3...(16) HB3 LEU 111 - QD1 LEU 77 OK 17 83 - 20 - 4022/2.1=3, ~7345=3...(8) HB3 LEU 24 - QD2 LEU 54 OK 16 47 - 34 - ~6993=11, 6462/2.1=6...(8) HG LEU 77 - QD2 LEU 54 OK 12 57 - 22 - 4017=4, 2.1/4024=3...(11) HG13 ILE 124 - QD1 LEU 77 lone 9 99 - 8 - 4022/2.1=1 QG2 VAL 18 - QD1 LEU 77 poor 7 63 - 12 - 6361/4.0=1, 4001/3.1=1...(5) QG2 THR 19 - QD1 LEU 77 lone 7 73 - 10 - 3.2/4026=1, 4022/2.1=1 HG2 LYS 32 - QD2 LEU 54 lone 2 43 - 5 - QG2 VAL 18 - QD2 LEU 54 lone 1 29 - 5 - ~6986=1 HG3 LYS 32 - QD2 LEU 54 lone 1 30 - 3 - HG13 ILE 124 - QD2 LEU 54 lone 1 55 - 2 - HB3 LEU 111 - QD2 LEU 54 lone 1 40 - 2 - QG2 THR 19 - QD2 LEU 54 lone 1 35 - 2 - Peak 4030 from cnoeabs.peaks (0.57, 0.69, 25.71 ppm; 3.04 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 77 + QD1 LEU 77 OK 100 100 - 100 - 2.1=100 QG1 VAL 50 - QD1 LEU 77 OK 22 99 - 22 - 4016/2.1=4, 3995/4.0=3...(7) QG1 VAL 50 - QD2 LEU 54 OK 18 55 - 33 - 6511/2.1=9, 8237/4.8=5...(10) HG12 ILE 34 - QD1 LEU 77 OK 13 78 - 17 - 4016/2.1=3, 4002/3.1=2...(9) QD2 LEU 77 - QD2 LEU 54 OK 12 57 - 22 - 4024=5, 2.1/4017=3...(10) QD2 LEU 45 - QD1 LEU 77 OK 12 87 - 13 - 4016/2.1=2, 4002/3.1=1 QD2 LEU 45 - QD2 LEU 54 lone 4 43 - 9 - 6511/2.1=3, 8237/4.8=1 HG12 ILE 34 - QD2 LEU 54 lone 1 38 - 2 - Peak 4031 from cnoeabs.peaks (0.69, 0.69, 25.71 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 77 + QD1 LEU 77 OK 100 100 - 100 QD2 LEU 54 - QD2 LEU 54 OK 43 43 - 100 Peak 4032 from cnoeabs.peaks (8.07, 4.17, 62.18 ppm; 3.89 A): 1 out of 12 assignments used, quality = 1.00: * H SER 78 + HA SER 78 OK 100 100 - 100 - 2.9=100 H GLY 39 - HA SER 78 OK 19 76 - 25 - 373/3.6=4, 4036/3.0=3...(10) H LEU 24 - HA SER 78 OK 14 92 - 15 - 373/3.6=4, 4036/3.0=3...(7) H GLN 105 - HA SER 78 lone 8 92 - 8 - 373/3.6=3, 4036/3.0=1...(4) H GLN 42 - HA SER 78 lone 8 85 - 9 - 373/3.6=2, ~2819=2, 4036/3.0=2 H SER 78 - HA ILE 124 poor 7 62 - 12 - 370/4.0=2, 1146=2, 3.9/4041=1 H GLN 42 - HA ILE 124 poor 6 46 - 13 - ~6030=2, 173/4.2=2...(6) H THR 33 - HA SER 78 lone 3 63 - 5 - 373/3.6=2 H LEU 24 - HA ILE 124 lone 2 52 - 3 - H GLN 105 - HA ILE 124 lone 1 52 - 2 - H GLY 39 - HA ILE 124 lone 1 40 - 3 - H THR 33 - HA ILE 124 lone 1 32 - 3 - Peak 4033 from cnoeabs.peaks (4.17, 4.17, 62.18 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA SER 78 + HA SER 78 OK 100 100 - 100 HA ILE 124 - HA ILE 124 OK 34 34 - 100 Peak 4034 from cnoeabs.peaks (4.30, 4.17, 62.18 ppm; 3.59 A): 1 out of 16 assignments used, quality = 1.00: * HB2 SER 78 + HA SER 78 OK 100 100 - 100 - 3.0=100 HB3 SER 113 - HA SER 78 OK 32 100 - 32 - 5054=5, 1147/2.9=4...(15) HB3 SER 113 - HA ILE 124 OK 20 62 - 32 - 5054=5, 7935/3.0=4...(14) HA LYS 65 - HA SER 78 OK 18 98 - 18 - 1147/2.9=3, 3.0/7366=3...(9) HA LEU 114 - HA SER 78 OK 15 100 - 15 - 375/3.6=3, 1147/2.9=3...(4) HA LYS 65 - HA ILE 124 OK 13 59 - 22 - 3.0/7172=2, ~5345=2...(9) HB2 SER 78 - HA ILE 124 poor 6 62 - 10 - 1.8/4041=2, 4037=2 HA GLN 103 - HA SER 78 lone 4 71 - 6 - 7766/2.9=2, ~7765=1 HA LEU 114 - HA ILE 124 lone 4 61 - 7 - 3.0/578=1 HA ALA 122 - HA ILE 124 poor 4 30 - 13 - 8095/3.0=5, ~8107=3, 8458/3.6=3 HA GLU 94 - HA SER 78 lone 1 60 - 2 - HA GLU 94 - HA ILE 124 lone 1 30 - 4 - ~7614=1 HA GLN 103 - HA ILE 124 lone 1 37 - 3 - HB THR 17 - HA SER 78 lone 1 60 - 1 - HA ALA 122 - HA SER 78 lone 1 60 - 1 - HB THR 17 - HA ILE 124 lone 0 30 - 1 - Peak 4035 from cnoeabs.peaks (4.13, 4.17, 62.18 ppm; 2.47 A): 1 out of 23 assignments used, quality = 0.64: * HB3 SER 78 + HA SER 78 OK 64 100 - 64 - 3.0=54, 4040/2.9=8...(5) HB2 SER 113 - HA SER 78 poor 7 68 - 10 - 1.8/5054=2, 5051/3.0=1, ~4042=1 HA PHE 83 - HA SER 78 lone 7 81 - 9 - 4190/3.6=2, 3.0/5733=1 HA3 GLY 25 - HA SER 78 lone 6 95 - 6 - HA ILE 63 - HA ILE 124 lone 6 57 - 10 - 3504/3.2=2 HB2 SER 113 - HA ILE 124 poor 5 35 - 15 - 1.8/5054=2, 5342/3.0=2...(7) HA PRO 37 - HA SER 78 lone 4 90 - 5 - 1148/2.9=1 HA ILE 124 - HA SER 78 lone 4 93 - 4 - HA LEU 24 - HA SER 78 lone 4 60 - 6 - 2194/2.9=1 HA ILE 63 - HA SER 78 lone 3 97 - 3 - HB3 SER 78 - HA ILE 124 lone 3 62 - 5 - HA ALA 98 - HA ILE 124 lone 3 58 - 5 - HA PHE 83 - HA ILE 124 lone 3 43 - 6 - HA ALA 98 - HA SER 78 lone 2 97 - 3 - HA ARG 57 - HA SER 78 lone 2 95 - 3 - HA ASN 108 - HA SER 78 lone 2 90 - 3 - HA ASN 108 - HA ILE 124 lone 2 51 - 5 - HA PRO 37 - HA ILE 124 lone 2 51 - 4 - HB3 SER 72 - HA SER 78 lone 1 96 - 1 - HA ARG 57 - HA ILE 124 lone 1 55 - 2 - HB3 SER 72 - HA ILE 124 lone 1 56 - 2 - HA3 GLY 25 - HA ILE 124 lone 1 55 - 2 - HA LEU 24 - HA ILE 124 lone 0 30 - 1 - Peak 4036 from cnoeabs.peaks (8.07, 4.30, 62.60 ppm; 3.75 A): 1 out of 6 assignments used, quality = 0.96: * H SER 78 + HB2 SER 78 OK 96 100 - 96 - 3.9=91, 4040/1.8=27...(7) H GLY 39 - HB2 SER 78 OK 15 76 - 20 - 2.9/6095=5, 4040/1.8=4...(5) H LEU 24 - HB2 SER 78 OK 12 92 - 13 - 4040/1.8=4, 373/4.5=3...(5) H GLN 42 - HB2 SER 78 lone 7 85 - 8 - 4040/1.8=2, 373/4.5=1 H GLN 105 - HB2 SER 78 lone 6 92 - 6 - 373/4.5=2, 4040/1.8=1 H THR 33 - HB2 SER 78 lone 2 63 - 4 - 373/4.5=1 Peak 4037 from cnoeabs.peaks (4.17, 4.30, 62.60 ppm; 3.21 A): 1 out of 12 assignments used, quality = 1.00: * HA SER 78 + HB2 SER 78 OK 100 100 - 100 - 3.0=100 HB2 SER 113 - HB2 SER 78 OK 23 92 - 25 - 5051=6, 4041/1.8=5...(9) HA PHE 83 - HB2 SER 78 OK 12 83 - 14 - 4041/1.8=3, 3.0/5734=2...(6) HA ILE 124 - HB2 SER 78 lone 5 65 - 8 - 4041/1.8=2, 4034=1 HA GLU 28 - HB2 SER 78 lone 4 97 - 4 - HA GLU 56 - HB2 SER 78 lone 4 100 - 4 - HA PRO 37 - HB2 SER 78 lone 4 71 - 5 - 4041/1.8=1, 5996/3.9=1 HA ASN 108 - HB2 SER 78 lone 3 71 - 5 - 4041/1.8=1 HA PRO 68 - HB2 SER 78 lone 2 85 - 3 - HB3 SER 72 - HB2 SER 78 lone 1 60 - 2 - HA ARG 92 - HB2 SER 78 lone 1 87 - 1 - HA3 GLY 61 - HB2 SER 78 lone 0 68 - 1 - Peak 4038 from cnoeabs.peaks (4.30, 4.30, 62.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 78 + HB2 SER 78 OK 100 100 - 100 Peak 4039 from cnoeabs.peaks (4.13, 4.30, 62.60 ppm; 3.12 A): 1 out of 12 assignments used, quality = 1.00: * HB3 SER 78 + HB2 SER 78 OK 100 100 - 100 - 1.8=100 HB2 SER 113 - HB2 SER 78 OK 14 68 - 20 - 5051=4, ~4042=3...(8) HA PHE 83 - HB2 SER 78 OK 10 81 - 13 - 3.0/5734=2, 4190/4.5=2...(6) HA3 GLY 25 - HB2 SER 78 lone 8 95 - 9 - 3.0/5734=2, 4035/3.0=1...(4) HA ILE 124 - HB2 SER 78 lone 6 93 - 6 - HA LEU 24 - HB2 SER 78 lone 6 60 - 9 - 3.0/4036=2, 3.6/5734=1...(4) HA ILE 63 - HB2 SER 78 lone 5 97 - 6 - HA PRO 37 - HB2 SER 78 lone 5 90 - 6 - 1148/3.9=2 HA ALA 98 - HB2 SER 78 lone 4 97 - 5 - HA ASN 108 - HB2 SER 78 lone 4 90 - 4 - HA ARG 57 - HB2 SER 78 lone 4 95 - 4 - HB3 SER 72 - HB2 SER 78 lone 3 96 - 3 - Peak 4040 from cnoeabs.peaks (8.07, 4.13, 62.60 ppm; 3.63 A): 3 out of 6 assignments used, quality = 0.94: * H SER 78 + HB3 SER 78 OK 92 100 - 92 - 3.9=82, 4036/1.8=24...(6) H GLY 39 + HB3 SER 78 OK 15 76 - 19 - 2.9/6097=4, 4036/1.8=4...(6) H LEU 24 + HB3 SER 78 OK 12 92 - 13 - 4036/1.8=3, 373/4.5=3...(4) H GLN 42 - HB3 SER 78 lone 7 85 - 8 - 4036/1.8=2, 373/4.5=1 H GLN 105 - HB3 SER 78 lone 5 92 - 5 - 373/4.5=2, 4036/1.8=2 H THR 33 - HB3 SER 78 lone 2 63 - 3 - 373/4.5=1 Peak 4041 from cnoeabs.peaks (4.17, 4.13, 62.60 ppm; 2.71 A): 2 out of 12 assignments used, quality = 0.82: * HA SER 78 + HB3 SER 78 OK 79 100 - 79 - 3.0=71, 2.9/4040=11...(5) HB2 SER 113 + HB3 SER 78 OK 14 92 - 15 - 1.8/4042=4, 4037/1.8=4...(5) HA PHE 83 - HB3 SER 78 poor 9 83 - 11 - 4037/1.8=2, 3.0/5735=2 HA ILE 124 - HB3 SER 78 lone 5 65 - 7 - HA PRO 37 - HB3 SER 78 lone 4 71 - 5 - HA ASN 108 - HB3 SER 78 lone 3 71 - 4 - HA GLU 56 - HB3 SER 78 lone 3 100 - 3 - HA GLU 28 - HB3 SER 78 lone 3 97 - 3 - HA PRO 68 - HB3 SER 78 lone 1 85 - 1 - HB3 SER 72 - HB3 SER 78 lone 1 60 - 2 - HA ARG 92 - HB3 SER 78 lone 1 87 - 1 - HA3 GLY 61 - HB3 SER 78 lone 0 68 - 0 - Peak 4042 from cnoeabs.peaks (4.30, 4.13, 62.60 ppm; 3.17 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 78 + HB3 SER 78 OK 100 100 - 100 - 1.8=100 HB3 SER 113 - HB3 SER 78 OK 25 100 - 25 - 1.8/4041=5, 5054/3.0=3...(9) HA LYS 65 - HB3 SER 78 OK 14 98 - 15 - 3.0/7361=3, ~7363=2...(7) HA LEU 114 - HB3 SER 78 OK 11 100 - 11 - 375/4.5=2, 1147/3.9=2 HA GLN 103 - HB3 SER 78 lone 3 71 - 4 - 7766/3.9=1 HA GLU 94 - HB3 SER 78 lone 1 60 - 1 - HB THR 17 - HB3 SER 78 lone 1 60 - 1 - HA ALA 122 - HB3 SER 78 lone 1 60 - 1 - Peak 4043 from cnoeabs.peaks (4.13, 4.13, 62.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 78 + HB3 SER 78 OK 100 100 - 100 Peak 4044 from cnoeabs.peaks (7.84, 4.55, 55.18 ppm; 4.01 A): 2 out of 6 assignments used, quality = 1.00: * H ASN 79 + HA ASN 79 OK 100 100 - 100 - 3.0=100 H PHE 83 + HA ASN 79 OK 60 99 - 61 - 4.6/6119=12, 399=11...(15) HD21 ASN 99 - HA ASN 79 OK 45 97 - 46 - 672=7, 3.5/4627=6...(17) H GLY 25 - HA ASN 79 poor 9 81 - 11 - 4.7/4049=1, 83/4.4=1, 4056/3.0=1 H GLY 88 - HA ASN 79 lone 7 78 - 9 - 377/3.5=2, 6126/4.9=1 HD21 ASN 106 - HA ASN 79 lone 1 63 - 2 - Peak 4045 from cnoeabs.peaks (4.55, 4.55, 55.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 79 + HA ASN 79 OK 100 100 - 100 Peak 4046 from cnoeabs.peaks (2.84, 4.55, 55.18 ppm; 3.58 A): 4 out of 10 assignments used, quality = 1.00: * HB2 ASN 79 + HA ASN 79 OK 100 100 - 100 - 3.0=100 HB3 TYR 67 + HA ASN 79 OK 46 100 - 47 - 4051=6, 4058/3.0=5...(23) HB2 TYR 67 + HA ASN 79 OK 46 100 - 47 - 4051=6, 4058/3.0=5...(23) HB2 ASN 99 + HA ASN 79 OK 45 100 - 45 - 4621=8, 1.8/4627=7...(19) HB2 CYS 76 - HA ASN 79 OK 21 73 - 29 - ~6100=6, ~1662=5...(13) HB3 PHE 107 - HA ASN 79 OK 13 100 - 13 - 4621=2, 1151/3.0=1, 4058/3.0=1 HG CYS 52 - HA ASN 79 lone 6 98 - 6 - HB2 ASP 36 - HA ASN 79 lone 6 100 - 6 - HE3 LYS 119 - HA ASN 79 lone 4 85 - 5 - 7427/4.9=1, 379/3.5=1 HE2 LYS 119 - HA ASN 79 lone 4 83 - 5 - 7427/4.9=1, 379/3.5=1 Peak 4047 from cnoeabs.peaks (3.88, 4.55, 55.18 ppm; 4.04 A): 2 out of 14 assignments used, quality = 1.00: * HB3 ASN 79 + HA ASN 79 OK 100 100 - 100 - 3.0=100 HB THR 95 + HA ASN 79 OK 54 99 - 55 - 4547=12, 2.1/4551=10...(15) HA THR 33 - HA ASN 79 OK 13 76 - 17 - 2.9/4049=3, ~1154=2...(6) HA ARG 53 - HA ASN 79 OK 12 100 - 12 - 6064/4.4=3, 662/4.4=1...(4) HD2 PRO 68 - HA ASN 79 poor 9 60 - 15 - 4.8/4046=3, 4.8/4046=3...(5) HB3 SER 112 - HA ASN 79 lone 9 99 - 9 - 380/3.5=3, 1152/3.0=1 HB2 SER 112 - HA ASN 79 lone 8 98 - 9 - 380/3.5=3, 1152/3.0=1 HB THR 33 - HA ASN 79 poor 8 78 - 10 - 4.0/4049=2, 2579/4.4=2...(4) HB2 SER 13 - HA ASN 79 lone 4 95 - 4 - HA3 GLY 104 - HA ASN 79 lone 4 63 - 6 - 3.6/4049=2 HA ILE 34 - HA ASN 79 lone 3 83 - 4 - HB2 SER 35 - HA ASN 79 lone 3 65 - 4 - HA2 GLY 2 - HA ASN 79 lone 2 83 - 2 - HA3 GLY 2 - HA ASN 79 lone 2 83 - 2 - Peak 4048 from cnoeabs.peaks (7.41, 4.55, 55.18 ppm; 4.32 A): 1 out of 6 assignments used, quality = 0.96: * HD21 ASN 79 + HA ASN 79 OK 96 100 - 96 - 4.4=93, 1153/3.0=13...(9) H PHE 96 - HA ASN 79 OK 42 95 - 45 - 472=9, 473/3.0=7...(10) H GLU 75 - HA ASN 79 OK 37 97 - 38 - ~6098=7, 1153/3.0=6...(10) H LYS 32 - HA ASN 79 OK 21 99 - 22 - 1445/4.4=4, 4060/3.0=4...(7) H SER 72 - HA ASN 79 lone 8 95 - 8 - 381/3.5=2, 1153/3.0=2 HE21 GLN 105 - HA ASN 79 lone 6 81 - 8 - 1153/3.0=2, 669/4.4=1...(4) Peak 4049 from cnoeabs.peaks (8.11, 4.55, 55.18 ppm; 4.86 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 79 + HA ASN 79 OK 100 100 - 100 - 4.4=100 H GLY 39 - HA ASN 79 OK 33 97 - 34 - 1154/3.0=7, 4061/3.0=5...(8) H THR 33 - HA ASN 79 OK 27 99 - 27 - 128/4.4=7, 1154/3.0=5...(9) H GLN 105 - HA ASN 79 OK 19 85 - 23 - 1154/3.0=4, 4061/3.0=3...(8) H LEU 24 - HA ASN 79 OK 14 85 - 17 - 1439/3.0=5, ~5487=2...(6) H LEU 55 - HA ASN 79 OK 14 93 - 15 - 4061/3.0=3, 1154/3.0=2...(5) Peak 4050 from cnoeabs.peaks (7.84, 2.84, 37.82 ppm; 3.61 A): 3 out of 18 assignments used, quality = 0.96: * H ASN 79 + HB2 ASN 79 OK 88 100 - 88 - 3.9=77, 1152/1.8=20...(7) H ASN 79 + HB2 TYR 67 OK 42 100 - 43 - 7378/2.6=9, 1151=8...(11) H ASN 79 + HB3 TYR 67 OK 42 100 - 43 - 7378/2.6=9, 1151=8...(11) HD21 ASN 99 - HB2 ASN 79 OK 37 97 - 38 - 673=7, 1.7/679=5...(14) H PHE 83 - HB2 ASN 79 OK 31 99 - 32 - 6124/3.0=7, 377/4.5=6...(9) HD21 ASN 99 - HB3 TYR 67 OK 26 96 - 27 - 673=5, 673/1.8=4...(10) HD21 ASN 99 - HB2 TYR 67 OK 26 96 - 27 - 673=5, 673/1.8=4...(10) H PHE 83 - HB3 TYR 67 lone 9 98 - 9 - 4.0/7471=1, 7470/1.8=1, 7470=1 H PHE 83 - HB2 TYR 67 lone 9 98 - 9 - 4.0/7471=1, 7470/1.8=1, 7470=1 H GLY 25 - HB2 ASN 79 lone 5 81 - 6 - 83/3.5=1 H GLY 88 - HB2 ASN 79 lone 4 78 - 5 - H GLY 88 - HB2 TYR 67 lone 2 77 - 2 - H GLY 88 - HB3 TYR 67 lone 2 77 - 2 - H GLY 25 - HB2 TYR 67 lone 2 79 - 2 - H GLY 25 - HB3 TYR 67 lone 2 79 - 2 - HD21 ASN 106 - HB2 ASN 79 lone 1 63 - 2 - HD21 ASN 106 - HB3 TYR 67 lone 1 62 - 1 - HD21 ASN 106 - HB2 TYR 67 lone 1 62 - 1 - Peak 4051 from cnoeabs.peaks (4.55, 2.84, 37.82 ppm; 3.54 A): 3 out of 18 assignments used, quality = 1.00: * HA ASN 79 + HB2 ASN 79 OK 100 100 - 100 - 3.0=100 HA ASN 79 + HB2 TYR 67 OK 48 100 - 48 - 4046=8, 4046/1.8=6...(23) HA ASN 79 + HB3 TYR 67 OK 48 100 - 48 - 4046=8, 4046/1.8=6...(23) HA THR 95 - HB2 ASN 79 OK 45 100 - 45 - 4544/1.8=9, 7616/3.5=6...(20) HA GLU 82 - HB2 ASN 79 OK 39 100 - 39 - ~6119=6, 5752/3.9=5...(16) HA ASN 99 - HB2 ASN 79 OK 33 97 - 34 - 4616=6, 3.0/4628=4...(14) HA ASN 99 - HB2 TYR 67 OK 26 97 - 27 - 4616=4, 4616/1.8=3...(10) HA ASN 99 - HB3 TYR 67 OK 26 97 - 27 - 4616=4, 4616/1.8=3...(10) HA LEU 27 - HB2 ASN 79 lone 9 97 - 10 - 1150/3.9=1, 4057/1.8=1 HA THR 95 - HB3 TYR 67 lone 7 100 - 7 - HA THR 95 - HB2 TYR 67 lone 7 100 - 7 - HA GLU 82 - HB3 TYR 67 lone 5 100 - 5 - HA GLU 82 - HB2 TYR 67 lone 5 100 - 5 - HB THR 121 - HB2 ASN 79 lone 2 93 - 2 - HA LEU 27 - HB3 TYR 67 lone 2 96 - 2 - HA LEU 27 - HB2 TYR 67 lone 2 96 - 2 - HB THR 121 - HB3 TYR 67 lone 1 92 - 1 - HB THR 121 - HB2 TYR 67 lone 1 92 - 1 - Peak 4052 from cnoeabs.peaks (2.84, 2.84, 37.82 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 79 + HB2 ASN 79 OK 100 100 - 100 HB3 TYR 67 + HB3 TYR 67 OK 99 99 - 100 HB2 TYR 67 + HB2 TYR 67 OK 99 99 - 100 Peak 4053 from cnoeabs.peaks (3.88, 2.84, 37.82 ppm; 3.91 A): 6 out of 42 assignments used, quality = 1.00: * HB3 ASN 79 + HB2 ASN 79 OK 100 100 - 100 - 1.8=100 HB3 ASN 79 + HB3 TYR 67 OK 62 100 - 62 - 4058=9, 4058/1.8=7...(28) HB3 ASN 79 + HB2 TYR 67 OK 62 100 - 62 - 4058=9, 4058/1.8=7...(28) HD2 PRO 68 + HB3 TYR 67 OK 47 59 - 80 - 4.8=55, ~8314=8...(13) HD2 PRO 68 + HB2 TYR 67 OK 47 59 - 80 - 4.8=55, ~8314=8...(13) HB THR 95 + HB2 ASN 79 OK 47 99 - 48 - 5813/3.5=9, 4547/3.0=8...(14) HA THR 33 - HB2 ASN 79 OK 16 76 - 21 - ~128=2, ~4061=2...(12) HA ARG 53 - HB2 ASN 79 OK 16 100 - 16 - 6064/3.5=4, ~1622=2...(7) HD2 PRO 68 - HB2 ASN 79 OK 11 60 - 18 - 4.8/3686=4, 3.8/3687=3...(6) HB THR 33 - HB2 ASN 79 poor 10 78 - 13 - 2579/3.5=2, 662/3.5=1...(5) HB3 SER 112 - HB2 ASN 79 lone 10 99 - 10 - 380/4.5=2, 4047/3.0=1 HB2 SER 112 - HB2 ASN 79 lone 9 98 - 10 - 380/4.5=2, 4047/3.0=1 HB THR 95 - HB3 TYR 67 lone 7 99 - 7 - 4685/2.6=1 HB THR 95 - HB2 TYR 67 lone 7 99 - 7 - 4685/2.6=1 HA ILE 34 - HB2 ASN 79 lone 5 83 - 6 - HB2 SER 13 - HB2 ASN 79 lone 5 95 - 5 - HA3 GLY 104 - HB2 ASN 79 lone 4 63 - 6 - 3.6/4055=1 HB2 SER 35 - HB2 ASN 79 lone 4 65 - 6 - 4.5/924=1 HA ARG 53 - HB2 TYR 67 lone 4 99 - 4 - HA ARG 53 - HB3 TYR 67 lone 4 99 - 4 - HA ILE 34 - HB2 TYR 67 lone 3 82 - 3 - ~6623=1 HA ILE 34 - HB3 TYR 67 lone 3 82 - 3 - ~6623=1 HA THR 33 - HB2 TYR 67 lone 2 75 - 3 - HA THR 33 - HB3 TYR 67 lone 2 75 - 3 - HB3 SER 112 - HB3 TYR 67 lone 2 98 - 2 - HB3 SER 112 - HB2 TYR 67 lone 2 98 - 2 - HB2 SER 112 - HB3 TYR 67 lone 2 97 - 2 - HB2 SER 112 - HB2 TYR 67 lone 2 97 - 2 - HA3 GLY 2 - HB2 ASN 79 lone 2 83 - 2 - HA2 GLY 2 - HB2 ASN 79 lone 2 83 - 2 - HA3 GLY 104 - HB2 TYR 67 lone 2 62 - 3 - ~7777=1 HA3 GLY 104 - HB3 TYR 67 lone 2 62 - 3 - ~7777=1 HB2 SER 35 - HB3 TYR 67 lone 1 64 - 2 - 4.5/924=1 HB2 SER 35 - HB2 TYR 67 lone 1 64 - 2 - 4.5/924=1 HB THR 33 - HB3 TYR 67 lone 1 77 - 2 - HB THR 33 - HB2 TYR 67 lone 1 77 - 2 - HB2 SER 13 - HB2 TYR 67 lone 1 93 - 1 - HB2 SER 13 - HB3 TYR 67 lone 1 93 - 1 - HA2 GLY 2 - HB2 TYR 67 lone 1 82 - 1 - HA3 GLY 2 - HB2 TYR 67 lone 1 82 - 1 - HA3 GLY 2 - HB3 TYR 67 lone 1 82 - 1 - HA2 GLY 2 - HB3 TYR 67 lone 1 82 - 1 - Peak 4054 from cnoeabs.peaks (7.41, 2.84, 37.82 ppm; 4.33 A): 6 out of 18 assignments used, quality = 1.00: * HD21 ASN 79 + HB2 ASN 79 OK 100 100 - 100 - 3.5=100 HD21 ASN 79 + HB2 TYR 67 OK 74 100 - 74 - 8141/3.8=24, 661=10...(26) HD21 ASN 79 + HB3 TYR 67 OK 74 100 - 74 - 8141/3.8=24, 661=10...(26) H GLU 75 + HB3 TYR 67 OK 50 97 - 52 - ~8329=9, ~4686=9, 7306=8...(13) H GLU 75 + HB2 TYR 67 OK 50 97 - 52 - ~8329=9, ~4686=9, 7306=8...(13) H GLU 75 + HB2 ASN 79 OK 48 97 - 49 - 7306=8, 4060/1.8=6...(18) H PHE 96 - HB2 ASN 79 OK 32 95 - 34 - 473/1.8=8, 472/3.0=7...(9) H PHE 96 - HB2 TYR 67 OK 29 93 - 31 - 1248/3.0=8, 7206/3.8=4...(12) H PHE 96 - HB3 TYR 67 OK 29 93 - 31 - 1248/3.0=8, 7206/3.8=4...(12) H LYS 32 - HB2 ASN 79 OK 29 99 - 30 - 1445/3.5=5, 4060/1.8=5...(9) H SER 72 - HB2 ASN 79 OK 19 95 - 20 - 4.6/7280=6, 3.6/8312=2...(6) HE21 GLN 105 - HB2 ASN 79 OK 15 81 - 18 - 3.5/7785=3, 3.5/7785=3...(7) H SER 72 - HB3 TYR 67 OK 11 93 - 12 - 4.6/7280=4, 3.6/8312=2 H SER 72 - HB2 TYR 67 OK 11 93 - 12 - 4.6/7280=4, 3.6/8312=2 H LYS 32 - HB3 TYR 67 lone 7 99 - 7 - 7206/3.8=2 H LYS 32 - HB2 TYR 67 lone 7 99 - 7 - 7206/3.8=2 HE21 GLN 105 - HB3 TYR 67 lone 4 79 - 5 - HE21 GLN 105 - HB2 TYR 67 lone 4 79 - 5 - Peak 4055 from cnoeabs.peaks (8.11, 2.84, 37.82 ppm; 4.26 A): 3 out of 18 assignments used, quality = 1.00: * HD22 ASN 79 + HB2 ASN 79 OK 100 100 - 100 - 3.5=100 HD22 ASN 79 + HB2 TYR 67 OK 70 100 - 70 - 8142/3.8=19, 4816/2.6=11...(26) HD22 ASN 79 + HB3 TYR 67 OK 70 100 - 70 - 8142/3.8=19, 4816/2.6=11...(26) H GLY 39 - HB2 ASN 79 OK 35 97 - 36 - 1154/3.9=5, 664/3.5=5...(13) H THR 33 - HB2 ASN 79 OK 25 99 - 25 - 128/3.5=6, 4061/1.8=4...(7) H GLN 105 - HB2 ASN 79 OK 23 85 - 28 - ~8143=3, 4061/1.8=3...(11) H GLY 39 - HB3 TYR 67 OK 23 96 - 24 - 4816/2.6=6, 8142/3.8=4...(6) H GLY 39 - HB2 TYR 67 OK 23 96 - 24 - 4816/2.6=6, 8142/3.8=4...(6) H LEU 55 - HB2 ASN 79 OK 15 93 - 16 - 4061/1.8=3, ~3219=2...(5) H LEU 55 - HB3 TYR 67 OK 14 92 - 15 - 7207/3.8=5, 4816/2.6=3...(4) H LEU 55 - HB2 TYR 67 OK 14 92 - 15 - 7207/3.8=5, 4816/2.6=3...(4) H LEU 24 - HB2 ASN 79 OK 11 85 - 13 - 1439/3.9=4, 4049/3.0=2...(4) H THR 33 - HB3 TYR 67 lone 8 99 - 8 - 7207/3.8=2, 4816/2.6=2 H THR 33 - HB2 TYR 67 lone 8 99 - 8 - 7207/3.8=2, 4816/2.6=2 H GLN 105 - HB2 TYR 67 lone 7 84 - 8 - 4816/2.6=2 H GLN 105 - HB3 TYR 67 lone 7 84 - 8 - 4816/2.6=2 H LEU 24 - HB3 TYR 67 lone 6 84 - 7 - 4816/2.6=2, 7207/3.8=1 H LEU 24 - HB2 TYR 67 lone 6 84 - 7 - 4816/2.6=2, 7207/3.8=1 Peak 4056 from cnoeabs.peaks (7.84, 3.88, 37.82 ppm; 4.54 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 79 + HB3 ASN 79 OK 100 100 - 100 - 3.9=100 HD21 ASN 99 - HB3 ASN 79 OK 43 97 - 45 - 4044/3.0=7, 673/1.8=7...(13) H PHE 83 - HB3 ASN 79 OK 36 99 - 37 - 7470/1.8=10, 6124/3.0=10...(5) H GLY 25 - HB3 ASN 79 lone 8 81 - 10 - 83/3.5=2, 4044/3.0=1...(4) H GLY 88 - HB3 ASN 79 lone 5 78 - 7 - 377/4.5=2, 6124/3.0=1 HD21 ASN 106 - HB3 ASN 79 lone 1 63 - 2 - Peak 4057 from cnoeabs.peaks (4.55, 3.88, 37.82 ppm; 4.49 A): 3 out of 6 assignments used, quality = 1.00: * HA ASN 79 + HB3 ASN 79 OK 100 100 - 100 - 3.0=100 HA THR 95 + HB3 ASN 79 OK 66 100 - 67 - 4544=11, 7616/3.5=9...(22) HA GLU 82 + HB3 ASN 79 OK 54 100 - 54 - ~6119=11, 5752/3.9=8...(17) HA ASN 99 - HB3 ASN 79 OK 39 97 - 41 - 4616/1.8=6, 4.4/4056=5...(14) HA LEU 27 - HB3 ASN 79 OK 12 97 - 13 - 1150/3.9=2, ~2277=1...(8) HB THR 121 - HB3 ASN 79 lone 3 93 - 4 - Peak 4058 from cnoeabs.peaks (2.84, 3.88, 37.82 ppm; 3.82 A): 3 out of 10 assignments used, quality = 1.00: * HB2 ASN 79 + HB3 ASN 79 OK 100 100 - 100 - 1.8=100 HB3 TYR 67 + HB3 ASN 79 OK 58 100 - 58 - 4053=6, 2.6/4685=5...(27) HB2 TYR 67 + HB3 ASN 79 OK 58 100 - 58 - 4053=6, 2.6/4685=5...(27) HB2 ASN 99 - HB3 ASN 79 OK 42 100 - 42 - 4621/3.0=5, 3.5/4056=5...(19) HB2 CYS 76 - HB3 ASN 79 OK 24 73 - 33 - 3.0/6104=7, ~6101=4...(13) HB3 PHE 107 - HB3 ASN 79 OK 13 100 - 13 - 4046/3.0=1, 1151/3.9=1, ~4830=1 HB2 ASP 36 - HB3 ASN 79 lone 9 100 - 9 - ~8490=2, ~2648=1, ~2640=1 HG CYS 52 - HB3 ASN 79 lone 7 98 - 7 - ~6954=1, ~6955=1 HE3 LYS 119 - HB3 ASN 79 lone 4 85 - 5 - 379/4.5=1 HE2 LYS 119 - HB3 ASN 79 lone 4 83 - 5 - 379/4.5=1 Peak 4059 from cnoeabs.peaks (3.88, 3.88, 37.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 79 + HB3 ASN 79 OK 100 100 - 100 Peak 4060 from cnoeabs.peaks (7.41, 3.88, 37.82 ppm; 4.61 A): 2 out of 6 assignments used, quality = 1.00: * HD21 ASN 79 + HB3 ASN 79 OK 100 100 - 100 - 3.5=100 H PHE 96 + HB3 ASN 79 OK 45 95 - 48 - 3.6/4544=9, 473=8...(12) H GLU 75 - HB3 ASN 79 OK 43 97 - 44 - 7306/1.8=8, 2.9/7373=7...(13) H LYS 32 - HB3 ASN 79 OK 34 99 - 34 - 1445/3.5=6, 6612=4...(11) HE21 GLN 105 - HB3 ASN 79 OK 10 81 - 13 - 5.9/6104=3, 669/3.5=2...(6) H SER 72 - HB3 ASN 79 OK 10 95 - 11 - 381/4.5=2, 1153/3.9=2...(5) Peak 4061 from cnoeabs.peaks (8.11, 3.88, 37.82 ppm; 5.15 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 79 + HB3 ASN 79 OK 100 100 - 100 - 3.5=100 H GLY 39 - HB3 ASN 79 OK 42 97 - 43 - 1154/3.9=7, 664/3.5=6...(14) H THR 33 - HB3 ASN 79 OK 37 99 - 37 - 128/3.5=9, 1154/3.9=5...(14) H GLN 105 - HB3 ASN 79 OK 27 85 - 32 - 2.9/6104=6, ~8143=5...(10) H LEU 55 - HB3 ASN 79 OK 23 93 - 25 - 1628=4, ~3219=4...(8) H LEU 24 - HB3 ASN 79 OK 14 85 - 16 - 1439/3.9=5, 4049/3.0=3...(7) Peak 4062 from cnoeabs.peaks (8.37, 3.64, 66.48 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.0=100 H VAL 115 + HA ILE 80 OK 51 99 - 51 - 4069/3.0=8, 1360=7...(15) H THR 95 - HA ILE 80 OK 10 71 - 14 - 5736/4.9=2, 4076/3.2=2...(7) H SER 74 - HA ILE 80 poor 8 63 - 13 - 4069/3.0=2, 4.2/4066=2...(7) Peak 4063 from cnoeabs.peaks (3.64, 3.64, 66.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + HA ILE 80 OK 100 100 - 100 Peak 4064 from cnoeabs.peaks (1.92, 3.64, 66.48 ppm; 3.96 A): 2 out of 18 assignments used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.0=100 HB2 ARG 81 + HA ILE 80 OK 49 93 - 52 - 4112/3.6=20, 4.3/6125=9...(13) HB2 LEU 84 - HA ILE 80 OK 44 85 - 51 - 3.1/7426=8, 4.0/1688=7...(17) HB3 GLU 73 - HA ILE 80 OK 33 97 - 35 - 4112/3.6=6, 7438/3.2=3...(16) HG LEU 58 - HA ILE 80 OK 27 97 - 28 - 2.1/7422=4, ~7063=3...(12) HB2 LEU 21 - HA ILE 80 OK 22 100 - 22 - 4078/3.2=2, ~7401=2...(12) HB3 LYS 119 - HA ILE 80 OK 22 81 - 27 - ~8457=3, 8456/3.2=3...(15) HB3 GLU 69 - HA ILE 80 OK 19 81 - 23 - 3.0/4066=3, 3775/4.0=3...(13) HB ILE 22 - HA ILE 80 OK 17 95 - 18 - 6432/3.2=4, 6432/4.1=3...(4) HB3 PRO 30 - HA ILE 80 OK 12 71 - 17 - 1.8/4066=2, 8456/3.2=2...(6) HB2 GLU 28 - HA ILE 80 poor 9 87 - 10 - 3.8/6131=2 HB2 LYS 109 - HA ILE 80 lone 8 92 - 9 - 7846/6127=1 HB3 GLU 64 - HA ILE 80 lone 6 95 - 7 - HB2 GLU 64 - HA ILE 80 lone 6 92 - 6 - HB3 MET 11 - HA ILE 80 lone 5 99 - 5 - HB2 GLU 38 - HA ILE 80 lone 4 85 - 5 - HB2 ARG 85 - HA ILE 80 lone 3 71 - 4 - HB3 ARG 85 - HA ILE 80 lone 3 71 - 4 - Peak 4065 from cnoeabs.peaks (1.27, 3.64, 66.48 ppm; 3.23 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.2=100 QD1 ILE 80 + HA ILE 80 OK 80 100 - 80 - 4.1=48, 5744/3.6=13...(15) QG2 THR 116 - HA ILE 80 OK 24 100 - 24 - 1161/3.0=3, 7990/3.0=3...(11) QG2 THR 19 - HA ILE 80 OK 21 97 - 22 - 6376/3.0=3, 2.1/8512=2...(11) HG LEU 54 - HA ILE 80 OK 13 92 - 15 - ~3209=2, 4075/3.0=2...(8) HG3 LYS 32 - HA ILE 80 lone 9 99 - 9 - HG13 ILE 124 - HA ILE 80 poor 7 63 - 12 - 2.1/4067=2, ~4081=1 Peak 4066 from cnoeabs.peaks (2.16, 3.64, 66.48 ppm; 3.88 A): 1 out of 7 assignments used, quality = 0.97: * HG12 ILE 80 + HA ILE 80 OK 97 100 - 97 - 4.0=91, 1.8/4067=18...(14) HB VAL 115 - HA ILE 80 OK 38 68 - 55 - 5103/3.0=8, 4.0/4062=7...(18) HG2 GLU 69 - HA ILE 80 OK 23 93 - 25 - 4080/3.2=3, 4073/3.0=3...(8) HB2 GLU 73 - HA ILE 80 OK 19 65 - 29 - 1.8/4064=3, 4080/3.2=3...(15) HB3 GLU 15 - HA ILE 80 OK 16 68 - 23 - 4.6/6125=3, 4080/3.2=2...(12) HB VAL 49 - HA ILE 80 OK 13 73 - 17 - 2.1/4067=3, 4094/4.0=2...(9) HB2 PRO 30 - HA ILE 80 OK 11 65 - 17 - 4080/3.2=2, 4073/3.0=2...(8) Peak 4067 from cnoeabs.peaks (0.87, 3.64, 66.48 ppm; 3.44 A): 3 out of 9 assignments used, quality = 0.91: * HG13 ILE 80 + HA ILE 80 OK 83 100 - 83 - 4.0=63, 1.8/4066=13...(11) QD2 LEU 114 + HA ILE 80 OK 32 89 - 36 - 5896/3.0=7, ~5895=3...(16) QD2 LEU 41 + HA ILE 80 OK 24 83 - 29 - 2806=7, 2.1/2813=4...(11) QD2 LEU 59 - HA ILE 80 OK 16 95 - 17 - 4081/3.2=2, 4074/3.0=2...(6) QD1 ILE 124 - HA ILE 80 OK 14 87 - 16 - 4081/3.2=2, 4102/4.1=2...(6) QG1 VAL 49 - HA ILE 80 OK 13 95 - 14 - 4081/3.2=2, 1160/3.0=2...(6) QD1 LEU 59 - HA ILE 80 OK 10 65 - 16 - 4081/3.2=2, 4074/3.0=1...(6) QD2 LEU 55 - HA ILE 80 lone 5 81 - 6 - QD2 LEU 126 - HA ILE 80 lone 4 100 - 4 - Peak 4068 from cnoeabs.peaks (1.27, 3.64, 66.48 ppm; 3.23 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.2=100 * QD1 ILE 80 + HA ILE 80 OK 80 100 - 80 - 4.1=48, 5744/3.6=13...(15) QG2 THR 116 - HA ILE 80 OK 24 100 - 24 - 1161/3.0=3, 7990/3.0=3...(11) QG2 THR 19 - HA ILE 80 OK 21 97 - 22 - 6376/3.0=3, 2.1/8512=2...(11) HG LEU 54 - HA ILE 80 OK 14 93 - 15 - ~3209=2, 4075/3.0=2...(8) HG3 LYS 32 - HA ILE 80 lone 9 99 - 9 - HG13 ILE 124 - HA ILE 80 poor 7 60 - 12 - 2.1/4067=2, ~4081=1 Peak 4069 from cnoeabs.peaks (8.37, 1.92, 39.17 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.9=100 H VAL 115 + HB ILE 80 OK 57 99 - 58 - 4076/2.1=11, 4097/3.2=10...(14) H SER 74 - HB ILE 80 OK 14 63 - 22 - 3.6/3909=4, 349=3...(10) H THR 95 - HB ILE 80 poor 10 71 - 14 - 4076/2.1=2, 4062/3.0=2...(7) Peak 4070 from cnoeabs.peaks (3.64, 1.92, 39.17 ppm; 4.45 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.0=100 HA VAL 115 + HB ILE 80 OK 65 85 - 76 - 3.0/4069=11, 4077/2.1=10...(30) HA LYS 46 - HB ILE 80 OK 40 100 - 40 - 8585/2.1=10, 8585/3.2=8...(12) HA LEU 41 - HB ILE 80 OK 29 99 - 29 - 4077/2.1=4, 4098/3.2=3...(12) HD2 PRO 70 - HB ILE 80 OK 21 71 - 30 - 1.8/8325=3, 4077/2.1=3...(13) HA LEU 111 - HB ILE 80 OK 12 60 - 20 - 6224/3.9=4, 4077/2.1=2...(7) Peak 4071 from cnoeabs.peaks (1.92, 1.92, 39.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HB ILE 80 OK 100 100 - 100 Peak 4072 from cnoeabs.peaks (1.27, 1.92, 39.17 ppm; 3.25 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 80 + HB ILE 80 OK 100 100 - 100 - 2.1=100 QD1 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.2=100 QG2 THR 116 - HB ILE 80 OK 25 100 - 25 - 7990=4, 3.2/6109=3...(10) QG2 THR 19 - HB ILE 80 OK 24 97 - 25 - 3.2/6109=3, ~8351=2...(12) HG LEU 54 - HB ILE 80 OK 21 92 - 23 - 2.1/6989=3, ~7420=3...(10) HG13 ILE 124 - HB ILE 80 OK 11 63 - 17 - 2.1/4074=2, ~4081=2...(7) HG3 LYS 32 - HB ILE 80 OK 11 99 - 11 - ~2520=1, ~2510=1, ~2500=1 Peak 4073 from cnoeabs.peaks (2.16, 1.92, 39.17 ppm; 4.53 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.0=100 HB VAL 115 - HB ILE 80 OK 42 68 - 61 - 4.0/4069=10, 5103/3.9=8...(18) HG2 GLU 69 - HB ILE 80 OK 41 93 - 43 - 4080/2.1=5, 4101/3.2=5...(19) HB2 GLU 73 - HB ILE 80 OK 32 65 - 49 - 3.0/3909=5, 4080/2.1=4...(23) HB3 GLU 15 - HB ILE 80 OK 27 68 - 39 - 3.0/6109=5, 4080/2.1=4...(18) HB VAL 49 - HB ILE 80 OK 22 73 - 30 - 2.1/4074=3, 4094/3.0=3...(16) HB2 PRO 30 - HB ILE 80 OK 22 65 - 33 - 4080/2.1=3, 4101/3.2=3...(19) Peak 4074 from cnoeabs.peaks (0.87, 1.92, 39.17 ppm; 4.55 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.0=100 QD2 LEU 114 - HB ILE 80 OK 41 89 - 47 - 5896/3.9=10, 4067/3.0=7...(16) QD2 LEU 59 - HB ILE 80 OK 39 95 - 41 - 4081/2.1=5, 2.1/7425=4...(21) QD1 ILE 124 - HB ILE 80 OK 31 87 - 36 - 4081/2.1=5, 4102/3.2=4...(16) QG1 VAL 49 - HB ILE 80 OK 29 95 - 30 - 4081/2.1=4, 3039/3.0=3...(15) QD2 LEU 41 - HB ILE 80 OK 28 83 - 34 - 2806/3.0=6, 4081/2.1=4...(12) QD1 LEU 59 - HB ILE 80 OK 26 65 - 39 - 2.1/7425=4, ~4081=3...(20) QD2 LEU 55 - HB ILE 80 OK 10 81 - 13 - 4081/2.1=2, 4102/3.2=2 QD2 LEU 126 - HB ILE 80 OK 10 100 - 10 - 4102/3.2=1, 4081/2.1=1 Peak 4075 from cnoeabs.peaks (1.27, 1.92, 39.17 ppm; 3.25 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.2=100 QG2 ILE 80 + HB ILE 80 OK 100 100 - 100 - 2.1=100 QG2 THR 116 - HB ILE 80 OK 25 100 - 25 - 7990=4, 3.2/6109=3...(10) QG2 THR 19 - HB ILE 80 OK 24 97 - 25 - 3.2/6109=3, ~8351=2...(12) HG LEU 54 - HB ILE 80 OK 21 93 - 23 - 2.1/6989=3, ~7420=3...(10) HG3 LYS 32 - HB ILE 80 OK 10 99 - 11 - ~2520=1, ~2510=1, ~2500=1 HG13 ILE 124 - HB ILE 80 OK 10 60 - 17 - 2.1/4074=2, ~4081=2...(7) Peak 4076 from cnoeabs.peaks (8.37, 1.27, 19.03 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 4.0=100 H VAL 115 + QG2 ILE 80 OK 65 99 - 65 - 4069/2.1=12, 4097/3.2=11...(15) H THR 95 - QG2 ILE 80 OK 14 71 - 19 - 4.6/7615=3, 4097/3.2=2...(10) H SER 74 - QG2 ILE 80 OK 13 63 - 21 - 4.2/7438=3, 4069/2.1=3...(9) Peak 4077 from cnoeabs.peaks (3.64, 1.27, 19.03 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.2=100 HA VAL 115 + QG2 ILE 80 OK 48 85 - 56 - 3.0/4076=7, 5098/4.0=6...(28) HA LYS 46 - QG2 ILE 80 OK 31 100 - 31 - 8585=6, 8585/3.2=5...(10) HA LEU 41 - QG2 ILE 80 OK 20 99 - 20 - 4070/2.1=2, 4098/3.2=2...(10) HD2 PRO 70 - QG2 ILE 80 OK 14 71 - 19 - 3.0/8514=2, 4070/2.1=2...(8) HA LEU 111 - QG2 ILE 80 OK 11 60 - 19 - 6224/4.0=3, 4.3/7402=3...(5) Peak 4078 from cnoeabs.peaks (1.92, 1.27, 19.03 ppm; 3.21 A): 1 out of 18 assignments used, quality = 1.00: * HB ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 2.1=100 HB2 LEU 84 - QG2 ILE 80 OK 38 85 - 44 - 3.1/7402=9, 3.1/7404=8...(18) HB2 ARG 81 - QG2 ILE 80 OK 37 93 - 39 - 4112/4.4=10, 3.0/7409=8...(14) HB3 GLU 73 - QG2 ILE 80 OK 29 97 - 30 - 4112/4.4=3, 7438=2...(14) HG LEU 58 - QG2 ILE 80 OK 27 97 - 27 - 2.1/7063=5, ~7063=2...(14) HB2 LEU 21 - QG2 ILE 80 OK 26 100 - 26 - 1.8/7401=4, ~8344=3...(11) HB3 LYS 119 - QG2 ILE 80 OK 22 81 - 27 - 1.8/8457=4, 3.0/7408=2...(10) HB3 GLU 69 - QG2 ILE 80 OK 19 81 - 23 - 3.0/4080=2, 3775/3.2=2...(9) HB ILE 22 - QG2 ILE 80 OK 15 95 - 16 - 6432=3, 6432/3.2=2, 3.9/6430=2 HB3 PRO 30 - QG2 ILE 80 OK 13 71 - 18 - 1.8/4080=2, 8456=1, 8456/3.2=1 HB2 LYS 109 - QG2 ILE 80 lone 8 92 - 8 - HB2 GLU 28 - QG2 ILE 80 lone 6 87 - 7 - 3.0/7410=1 HB3 GLU 64 - QG2 ILE 80 lone 5 95 - 6 - HB2 GLU 64 - QG2 ILE 80 lone 5 92 - 5 - HB3 MET 11 - QG2 ILE 80 lone 3 99 - 3 - HB2 GLU 38 - QG2 ILE 80 lone 3 85 - 3 - HB2 ARG 85 - QG2 ILE 80 lone 2 71 - 2 - HB3 ARG 85 - QG2 ILE 80 lone 2 71 - 2 - Peak 4079 from cnoeabs.peaks (1.27, 1.27, 19.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 80 + QG2 ILE 80 OK 100 100 - 100 Peak 4080 from cnoeabs.peaks (2.16, 1.27, 19.03 ppm; 4.09 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.2=100 HB VAL 115 - QG2 ILE 80 OK 38 68 - 56 - 4.0/4076=8, 3.0/4077=8...(20) HG2 GLU 69 - QG2 ILE 80 OK 34 93 - 37 - 1.8/8514=5, 4073/2.1=4...(14) HB2 GLU 73 - QG2 ILE 80 OK 27 65 - 41 - 1.8/7438=5, 4073/2.1=3...(20) HB3 GLU 15 - QG2 ILE 80 OK 25 68 - 36 - 1.8/8514=5, 3.0/7408=4...(15) HB VAL 49 - QG2 ILE 80 OK 19 73 - 26 - 2.1/4081=3, 4094/3.2=3...(13) HB2 PRO 30 - QG2 ILE 80 OK 19 65 - 29 - 1.8/8456=3, 4101/3.2=2...(9) Peak 4081 from cnoeabs.peaks (0.87, 1.27, 19.03 ppm; 3.75 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.2=100 QD2 LEU 114 - QG2 ILE 80 OK 36 89 - 41 - 5896/4.0=7, 4067/3.2=5...(19) QD1 ILE 124 - QG2 ILE 80 OK 28 87 - 32 - 4102/3.2=3, 4.2/7410=3...(14) QD2 LEU 59 - QG2 ILE 80 OK 27 95 - 29 - 4074/2.1=3, 2.1/7400=3...(12) QG1 VAL 49 - QG2 ILE 80 OK 22 95 - 23 - 3039/3.2=2, 4102/3.2=2...(9) QD2 LEU 41 - QG2 ILE 80 OK 22 83 - 26 - 2806/3.2=4, 4074/2.1=2...(11) QD1 LEU 59 - QG2 ILE 80 OK 18 65 - 28 - 2.1/7400=3, ~4074=2...(14) QD2 LEU 55 - QG2 ILE 80 OK 12 81 - 15 - 4.6/247=3, 4.0/7010=3 QD2 LEU 126 - QG2 ILE 80 lone 6 100 - 6 - Peak 4082 from cnoeabs.peaks (1.27, 1.27, 19.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 80 + QG2 ILE 80 OK 100 100 - 100 Reference assignment not found: QD1 ILE 80 - QG2 ILE 80 Peak 4083 from cnoeabs.peaks (8.37, 2.16, 29.65 ppm; 4.12 A): 2 out of 12 assignments used, quality = 0.96: * H ILE 80 + HG12 ILE 80 OK 89 100 - 89 - 5.1=52, 4097/2.1=21...(15) H VAL 115 + HG12 ILE 80 OK 61 99 - 62 - 4097/2.1=14, 4090/1.8=13...(16) H SER 74 - HB2 GLU 73 OK 33 34 - 97 - 4.2=95, 349/1.8=13...(5) H ILE 80 - HB2 GLU 73 OK 17 65 - 26 - 1159=4, 1157/1.8=4...(12) H ILE 80 - HB3 GLU 15 OK 16 66 - 24 - 1669/4.6=4, 1667/3.0=4...(9) H VAL 115 - HB3 GLU 15 OK 15 64 - 23 - 582/1.8=4, 7961/3.0=4...(8) H SER 74 - HG12 ILE 80 OK 12 63 - 19 - 4069/3.0=2, 3.6/3908=2...(9) H THR 95 - HG12 ILE 80 poor 9 71 - 13 - 4097/2.1=3, 4076/3.2=2...(6) H VAL 115 - HB2 GLU 73 lone 3 63 - 5 - H THR 95 - HB3 GLU 15 lone 1 39 - 2 - H SER 74 - HB3 GLU 15 lone 1 34 - 2 - H THR 95 - HB2 GLU 73 lone 0 39 - 1 - Peak 4084 from cnoeabs.peaks (3.64, 2.16, 29.65 ppm; 4.62 A): 2 out of 18 assignments used, quality = 1.00: * HA ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 4.0=100 HA VAL 115 + HG12 ILE 80 OK 61 85 - 72 - 4098/2.1=10, ~4090=9...(21) HA LYS 46 - HG12 ILE 80 OK 40 100 - 40 - 8585/2.1=11, 8585/3.2=9...(10) HD2 PRO 70 - HB3 GLU 15 OK 28 39 - 73 - ~1915=8, ~1914=7...(33) HA ILE 80 - HB2 GLU 73 OK 25 65 - 39 - 4066=4, 4064/1.8=4...(15) HD2 PRO 70 - HG12 ILE 80 OK 24 71 - 34 - ~7264=4, 4.8/3775=3...(15) HA LEU 41 - HG12 ILE 80 OK 24 99 - 24 - 4098/2.1=4, 4091/1.8=4...(9) HA ILE 80 - HB3 GLU 15 OK 21 66 - 32 - 6125/4.6=4, 4066=4...(12) HA VAL 115 - HB3 GLU 15 OK 17 49 - 34 - 6246/3.0=4, 5100=4...(14) HA LEU 111 - HG12 ILE 80 OK 10 60 - 17 - 6224/5.1=4, 4077/3.2=2...(7) HA LEU 41 - HB2 GLU 73 poor 7 63 - 12 - 2781/2.9=2, 2781/2.9=2...(4) HA VAL 115 - HB2 GLU 73 lone 3 49 - 7 - HA LYS 46 - HB2 GLU 73 lone 3 65 - 4 - HA LEU 111 - HB3 GLU 15 lone 3 32 - 8 - ~6319=2, 4.8/6227=1...(4) HA LYS 46 - HB3 GLU 15 lone 2 66 - 3 - HD2 PRO 70 - HB2 GLU 73 lone 1 39 - 4 - HA LEU 41 - HB3 GLU 15 lone 1 64 - 2 - HA LEU 111 - HB2 GLU 73 lone 1 32 - 3 - 6224/4.2=1 Peak 4085 from cnoeabs.peaks (1.92, 2.16, 29.65 ppm; 3.37 A): 2 out of 54 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 3.0=100 HB3 GLU 73 + HB2 GLU 73 OK 59 59 - 100 - 1.8=100 HB2 ARG 81 - HG12 ILE 80 OK 28 93 - 30 - 4.0/387=5, ~7409=4...(13) HG LEU 58 - HG12 ILE 80 OK 26 97 - 27 - ~7063=4, ~8347=3...(12) HB2 LEU 84 - HG12 ILE 80 OK 26 85 - 30 - ~8356=4, ~8359=4...(11) HB3 GLU 73 - HG12 ILE 80 OK 25 97 - 26 - 7438/2.1=3, 7438/3.2=2...(13) HB2 LEU 21 - HG12 ILE 80 OK 24 100 - 24 - ~8344=5, 4099/2.1=3...(9) HB3 GLU 69 - HG12 ILE 80 OK 23 81 - 29 - 3775=4, 1.8/3769=4...(14) HB ILE 80 - HB2 GLU 73 OK 20 65 - 30 - 3909/3.0=3, 2.1/4080=2...(18) HB2 ARG 81 - HB2 GLU 73 OK 16 56 - 29 - 3920=4, 3909/3.0=3...(16) HB ILE 80 - HB3 GLU 15 OK 16 66 - 24 - 6109/3.0=3, 2.1/4080=2...(11) HB3 LYS 119 - HG12 ILE 80 OK 14 81 - 18 - ~8457=3, 8456/2.1=2...(6) HB3 PRO 30 - HG12 ILE 80 OK 14 71 - 19 - 8456/2.1=2, ~4101=1...(6) HB3 GLU 69 - HB3 GLU 15 OK 13 46 - 29 - 3775=5, 1.8/3769=4...(14) HB ILE 22 - HG12 ILE 80 OK 12 95 - 13 - 6432/2.1=3, 6432/3.2=3 HB ILE 22 - HB2 GLU 73 poor 10 57 - 17 - 2151/2.9=2, 2151/2.9=2...(5) HB3 PRO 30 - HB3 GLU 15 poor 9 39 - 22 - ~1913=3, 2.3/2361=2...(12) HB2 LYS 109 - HG12 ILE 80 lone 6 92 - 6 - ~7412=1 HB3 GLU 64 - HG12 ILE 80 lone 5 95 - 5 - HB2 GLU 64 - HG12 ILE 80 lone 4 92 - 5 - HB2 GLU 28 - HG12 ILE 80 lone 4 87 - 5 - HB2 LEU 21 - HB2 GLU 73 lone 4 64 - 6 - HB2 GLU 38 - HB3 GLU 15 lone 3 49 - 7 - HB3 GLU 64 - HB3 GLU 15 lone 3 58 - 6 - HB2 GLU 64 - HB3 GLU 15 lone 3 55 - 6 - HB3 MET 11 - HG12 ILE 80 lone 3 99 - 3 - HB3 LYS 119 - HB3 GLU 15 lone 3 46 - 6 - HB ILE 22 - HB3 GLU 15 lone 3 58 - 4 - 5982/3.0=1, 5479/4.0=1 HB2 GLU 28 - HB2 GLU 73 lone 3 50 - 5 - HB2 GLU 38 - HG12 ILE 80 lone 2 85 - 3 - HB2 LEU 21 - HB3 GLU 15 lone 2 65 - 4 - HB2 GLU 38 - HB2 GLU 73 lone 2 49 - 4 - HB2 ARG 81 - HB3 GLU 15 lone 2 57 - 4 - 4.0/387=1 HG LEU 58 - HB3 GLU 15 lone 2 61 - 3 - ~6320=1 HB3 MET 11 - HB3 GLU 15 lone 2 64 - 3 - HG LEU 58 - HB2 GLU 73 lone 2 60 - 3 - HB2 LEU 84 - HB2 GLU 73 lone 2 49 - 3 - HB2 LYS 109 - HB2 GLU 73 lone 2 54 - 3 - HB3 ARG 85 - HG12 ILE 80 lone 2 71 - 2 - HB2 ARG 85 - HG12 ILE 80 lone 2 71 - 2 - HB2 LEU 84 - HB3 GLU 15 lone 1 49 - 3 - HB3 GLU 69 - HB2 GLU 73 lone 1 45 - 3 - HB2 LYS 109 - HB3 GLU 15 lone 1 55 - 2 - HB3 MET 11 - HB2 GLU 73 lone 1 63 - 2 - HB3 PRO 30 - HB2 GLU 73 lone 1 39 - 3 - HB2 GLU 28 - HB3 GLU 15 lone 1 51 - 2 - HB3 GLU 64 - HB2 GLU 73 lone 1 57 - 1 - HB2 GLU 64 - HB2 GLU 73 lone 1 54 - 1 - HB3 GLU 73 - HB3 GLU 15 lone 1 60 - 1 - HB2 ARG 85 - HB3 GLU 15 lone 1 39 - 2 - HB3 ARG 85 - HB3 GLU 15 lone 1 39 - 2 - HB3 LYS 119 - HB2 GLU 73 lone 1 45 - 1 - HB2 ARG 85 - HB2 GLU 73 lone 0 39 - 1 - HB3 ARG 85 - HB2 GLU 73 lone 0 39 - 1 - Peak 4086 from cnoeabs.peaks (1.27, 2.16, 29.65 ppm; 3.79 A): 2 out of 21 assignments used, quality = 1.00: * QG2 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 3.2=100 QD1 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 2.1=100 HG LEU 54 - HG12 ILE 80 OK 30 92 - 32 - ~7420=7, ~6985=5...(11) QG2 THR 19 - HG12 ILE 80 OK 30 97 - 30 - 6376/3.0=4, 4093/1.8=3...(14) QG2 THR 116 - HG12 ILE 80 OK 28 100 - 28 - 7990/3.0=4, 4096/1.8=3...(13) QG2 ILE 80 - HB2 GLU 73 OK 24 65 - 37 - 7438/1.8=4, 4080=4...(18) QD1 ILE 80 - HB2 GLU 73 OK 23 65 - 36 - 4101=4, 7438/1.8=4...(18) QD1 ILE 80 - HB3 GLU 15 OK 22 66 - 33 - 4101=4, 8343/1.8=4...(17) QG2 ILE 80 - HB3 GLU 15 OK 22 66 - 33 - 8514/1.8=4, 4080=4...(15) HG3 LYS 32 - HG12 ILE 80 OK 15 99 - 16 - ~2520=2, 5.0/6611=2...(7) QG2 THR 19 - HB3 GLU 15 OK 15 61 - 25 - 6377/3.0=5, 2015/3.0=4...(10) HG13 ILE 124 - HG12 ILE 80 OK 15 63 - 24 - ~5361=2, 5368/1.8=2...(13) HG LEU 54 - HB2 GLU 73 poor 9 54 - 17 - ~7439=3, 3199/3.0=2...(8) QG2 THR 116 - HB3 GLU 15 poor 7 66 - 10 - 4.1/589=2, 7991/3.0=2...(4) HG3 LYS 32 - HB3 GLU 15 lone 4 64 - 7 - ~6319=2, ~8188=1 QG2 THR 116 - HB2 GLU 73 lone 2 65 - 2 - QG2 THR 19 - HB2 GLU 73 lone 1 60 - 2 - HG3 LYS 32 - HB2 GLU 73 lone 1 63 - 2 - HG13 ILE 124 - HB2 GLU 73 lone 1 34 - 4 - 5939/4.2=2 HG LEU 54 - HB3 GLU 15 lone 1 55 - 1 - HG13 ILE 124 - HB3 GLU 15 lone 0 34 - 1 - Peak 4087 from cnoeabs.peaks (2.16, 2.16, 29.65 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 80 + HG12 ILE 80 OK 100 100 - 100 HB3 GLU 15 - HB3 GLU 15 OK 38 38 - 100 HB2 GLU 73 - HB2 GLU 73 OK 35 35 - 100 Peak 4088 from cnoeabs.peaks (0.87, 2.16, 29.65 ppm; 4.14 A): 1 out of 27 assignments used, quality = 1.00: * HG13 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 1.8=100 QD2 LEU 114 - HG12 ILE 80 OK 32 89 - 37 - 5896/5.1=6, 4102/2.1=5...(14) QD2 LEU 59 - HG12 ILE 80 OK 32 95 - 34 - 4102/2.1=4, 4074/3.0=3...(17) QG1 VAL 49 - HG12 ILE 80 OK 32 95 - 34 - 4102/2.1=3, 3039=3...(18) QD1 ILE 124 - HG12 ILE 80 OK 28 87 - 32 - 4102/2.1=5, 4081/3.2=3...(16) HG13 ILE 80 - HB2 GLU 73 OK 26 65 - 40 - 4094=5, 2.1/4101=4...(21) HG13 ILE 80 - HB3 GLU 15 OK 24 66 - 36 - 4094=5, 2.1/4101=4...(19) QD1 LEU 59 - HG12 ILE 80 OK 21 65 - 31 - 4102/2.1=3, ~4102=3...(16) QD2 LEU 41 - HG12 ILE 80 OK 17 83 - 21 - 2806/4.0=4, 4102/2.1=3...(8) QD2 LEU 126 - HG12 ILE 80 lone 9 100 - 8 - 4102/2.1=1 QD2 LEU 55 - HG12 ILE 80 poor 8 81 - 10 - 4102/2.1=2, 4081/3.2=1 QG1 VAL 49 - HB2 GLU 73 poor 8 57 - 14 - 3039=2, 6903/2.9=1...(5) QD2 LEU 41 - HB2 GLU 73 poor 5 47 - 11 - 2809/2.9=1, 2809/2.9=1 QD2 LEU 114 - HB3 GLU 15 lone 4 52 - 7 - 5086/1.8=1 QD1 ILE 124 - HB2 GLU 73 lone 3 50 - 5 - 5940/4.2=3 QD2 LEU 114 - HB2 GLU 73 lone 3 52 - 5 - 5896/4.2=1 QD2 LEU 59 - HB2 GLU 73 lone 2 57 - 4 - QD2 LEU 55 - HB2 GLU 73 lone 2 45 - 4 - QG1 VAL 49 - HB3 GLU 15 lone 1 58 - 3 - QD2 LEU 126 - HB2 GLU 73 lone 1 65 - 2 - QD1 LEU 59 - HB2 GLU 73 lone 1 35 - 3 - QD2 LEU 55 - HB3 GLU 15 lone 1 46 - 2 - QD2 LEU 59 - HB3 GLU 15 lone 1 58 - 2 - QD2 LEU 41 - HB3 GLU 15 lone 1 48 - 2 - QD1 ILE 124 - HB3 GLU 15 lone 1 51 - 1 - QD2 LEU 126 - HB3 GLU 15 lone 1 66 - 1 - QD1 LEU 59 - HB3 GLU 15 lone 1 36 - 1 - Peak 4089 from cnoeabs.peaks (1.27, 2.16, 29.65 ppm; 3.79 A): 2 out of 21 assignments used, quality = 1.00: * QD1 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 2.1=100 QG2 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 3.2=100 HG LEU 54 - HG12 ILE 80 OK 30 93 - 32 - ~7420=7, ~6985=5...(11) QG2 THR 19 - HG12 ILE 80 OK 29 97 - 30 - 6376/3.0=4, 4093/1.8=3...(14) QG2 THR 116 - HG12 ILE 80 OK 28 100 - 28 - 7990/3.0=4, 4096/1.8=3...(13) QG2 ILE 80 - HB2 GLU 73 OK 24 65 - 37 - 7438/1.8=4, 4080=4...(18) QD1 ILE 80 - HB2 GLU 73 OK 23 65 - 36 - 4101=4, 7438/1.8=4...(18) QD1 ILE 80 - HB3 GLU 15 OK 22 66 - 33 - 4101=4, 8343/1.8=4...(17) QG2 ILE 80 - HB3 GLU 15 OK 22 66 - 33 - 8514/1.8=4, 4080=4...(15) HG3 LYS 32 - HG12 ILE 80 OK 15 99 - 16 - ~2520=2, 5.0/6611=2...(7) QG2 THR 19 - HB3 GLU 15 OK 15 60 - 25 - 6377/3.0=5, 2015/3.0=4...(10) HG13 ILE 124 - HG12 ILE 80 OK 14 60 - 24 - ~5361=2, 2.1/4088=2...(13) HG LEU 54 - HB2 GLU 73 poor 10 56 - 17 - ~7439=3, 3199/3.0=2...(8) QG2 THR 116 - HB3 GLU 15 poor 7 66 - 10 - 4.1/589=2, 7991/3.0=2...(4) HG3 LYS 32 - HB3 GLU 15 lone 4 63 - 7 - ~6319=2, ~8188=1 QG2 THR 116 - HB2 GLU 73 lone 2 65 - 2 - QG2 THR 19 - HB2 GLU 73 lone 1 59 - 2 - HG3 LYS 32 - HB2 GLU 73 lone 1 62 - 2 - HG13 ILE 124 - HB2 GLU 73 lone 1 32 - 3 - 5939/4.2=2 HG LEU 54 - HB3 GLU 15 lone 1 57 - 1 - HG13 ILE 124 - HB3 GLU 15 lone 0 32 - 1 - Peak 4090 from cnoeabs.peaks (8.37, 0.87, 29.65 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.98: * H ILE 80 + HG13 ILE 80 OK 93 100 - 93 - 5.1=67, 4097/2.1=23...(12) H VAL 115 + HG13 ILE 80 OK 68 99 - 69 - 4097/2.1=15, 4069/3.0=11...(17) H SER 74 - HG13 ILE 80 OK 10 63 - 17 - 4069/3.0=3, 4.2/4094=3...(7) H THR 95 - HG13 ILE 80 poor 10 71 - 13 - 4097/2.1=3, 4076/3.2=2...(6) Peak 4091 from cnoeabs.peaks (3.64, 0.87, 29.65 ppm; 4.82 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 4.0=100 HA VAL 115 + HG13 ILE 80 OK 62 85 - 73 - 3.0/4090=14, 4098/2.1=10...(20) HA LYS 46 - HG13 ILE 80 OK 41 100 - 41 - 8585/2.1=11, 8585/3.2=9...(8) HA LEU 41 - HG13 ILE 80 OK 28 99 - 28 - 4098/2.1=4, 4070/3.0=4...(11) HD2 PRO 70 - HG13 ILE 80 OK 21 71 - 30 - 2.3/7264=5, 3.0/7254=3...(12) HA LEU 111 - HG13 ILE 80 OK 11 60 - 19 - 6224/5.1=4, 4077/3.2=2...(6) Peak 4092 from cnoeabs.peaks (1.92, 0.87, 29.65 ppm; 4.68 A): 3 out of 18 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 3.0=100 HG LEU 58 + HG13 ILE 80 OK 50 97 - 51 - 2.1/8347=8, 3.0/7056=7...(19) HB2 LEU 84 + HG13 ILE 80 OK 46 85 - 54 - ~8356=8, ~8359=8...(17) HB2 LEU 21 - HG13 ILE 80 OK 44 100 - 44 - ~8344=10, 3.1/6411=6...(16) HB3 GLU 73 - HG13 ILE 80 OK 44 97 - 45 - 7438/2.1=5, 7438/3.2=5...(23) HB2 ARG 81 - HG13 ILE 80 OK 42 93 - 46 - ~7409=8, 7438/2.1=7...(17) HB3 GLU 69 - HG13 ILE 80 OK 35 81 - 44 - 3.0/4094=5, 3775/1.8=5...(21) HB3 LYS 119 - HG13 ILE 80 OK 26 81 - 33 - ~8457=6, 8456/2.1=4...(13) HB ILE 22 - HG13 ILE 80 OK 24 95 - 25 - 6432/2.1=7, 6432/3.2=6...(6) HB3 PRO 30 - HG13 ILE 80 OK 23 71 - 32 - 1.8/4094=3, 8456/2.1=3...(15) HB2 LYS 109 - HG13 ILE 80 OK 12 92 - 13 - ~7412=2, 4099/2.1=1, ~6323=1 HB3 GLU 64 - HG13 ILE 80 lone 9 95 - 9 - HB2 GLU 28 - HG13 ILE 80 lone 9 87 - 10 - ~7413=1 HB2 GLU 64 - HG13 ILE 80 lone 8 92 - 9 - HB3 MET 11 - HG13 ILE 80 lone 6 99 - 6 - HB2 GLU 38 - HG13 ILE 80 lone 5 85 - 6 - HB2 ARG 85 - HG13 ILE 80 lone 3 71 - 5 - HB3 ARG 85 - HG13 ILE 80 lone 3 71 - 5 - Peak 4093 from cnoeabs.peaks (1.27, 0.87, 29.65 ppm; 3.75 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 3.2=100 QD1 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 2.1=100 HG LEU 54 - HG13 ILE 80 OK 30 92 - 33 - ~7420=7, 2.1/6985=6...(11) QG2 THR 19 - HG13 ILE 80 OK 27 97 - 28 - 6376/3.0=4, ~2013=3...(14) QG2 THR 116 - HG13 ILE 80 OK 26 100 - 26 - 7990/3.0=4, ~5125=3...(13) HG13 ILE 124 - HG13 ILE 80 OK 17 63 - 27 - 1.8/5361=3, 3.0/5347=3...(16) HG3 LYS 32 - HG13 ILE 80 OK 13 99 - 13 - ~2520=2, ~2510=2...(6) Peak 4094 from cnoeabs.peaks (2.16, 0.87, 29.65 ppm; 4.08 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 1.8=100 HG2 GLU 69 - HG13 ILE 80 OK 33 93 - 35 - 4101/2.1=5, 4080/3.2=4...(14) HB VAL 115 - HG13 ILE 80 OK 33 68 - 48 - 4.0/4090=8, 3.0/4091=6...(15) HB2 GLU 73 - HG13 ILE 80 OK 25 65 - 39 - 4101/2.1=4, 4088=3...(21) HB3 GLU 15 - HG13 ILE 80 OK 23 68 - 34 - 4101/2.1=4, 4088=3...(19) HB VAL 49 - HG13 ILE 80 OK 23 73 - 32 - 3.9/991=3, 3.0/3030=3...(17) HB2 PRO 30 - HG13 ILE 80 OK 18 65 - 27 - 4101/2.1=3, 4080/3.2=2...(14) Peak 4095 from cnoeabs.peaks (0.87, 0.87, 29.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + HG13 ILE 80 OK 100 100 - 100 Peak 4096 from cnoeabs.peaks (1.27, 0.87, 29.65 ppm; 3.75 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 2.1=100 QG2 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 3.2=100 HG LEU 54 - HG13 ILE 80 OK 30 93 - 33 - ~7420=7, 2.1/6985=6...(11) QG2 THR 19 - HG13 ILE 80 OK 27 97 - 28 - 6376/3.0=4, ~2013=3...(14) QG2 THR 116 - HG13 ILE 80 OK 26 100 - 26 - 7990/3.0=4, ~5125=3...(13) HG13 ILE 124 - HG13 ILE 80 OK 16 60 - 27 - 1.8/5361=3, 3.0/5347=3...(16) HG3 LYS 32 - HG13 ILE 80 OK 13 99 - 13 - ~2520=2, ~2510=2...(6) Peak 4097 from cnoeabs.peaks (8.37, 1.27, 14.08 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.94: * H ILE 80 + QD1 ILE 80 OK 85 100 - 85 - 4.9=45, 1159/2.1=17...(15) H VAL 115 + QD1 ILE 80 OK 55 99 - 55 - 4090/2.1=10, 1361/2.1=8...(15) H THR 95 + QD1 ILE 80 OK 10 71 - 14 - 4.6/7615=2, 4076/3.2=2...(8) H SER 74 - QD1 ILE 80 poor 10 63 - 15 - 4.2/7438=2, 4.2/4101=2...(7) Peak 4098 from cnoeabs.peaks (3.64, 1.27, 14.08 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.97: * HA ILE 80 + QD1 ILE 80 OK 94 100 - 94 - 4.1=78, 3.6/5744=19...(22) HA VAL 115 + QD1 ILE 80 OK 51 85 - 60 - 3.0/4097=10, 4077/3.2=6...(24) HA LYS 46 - QD1 ILE 80 OK 38 100 - 38 - 8585=7, 2.9/7399=7...(12) HA LEU 41 - QD1 ILE 80 OK 21 99 - 22 - 2782/2.1=3, 4077/3.2=3...(7) HD2 PRO 70 - QD1 ILE 80 OK 16 71 - 23 - 3.8/8686=2, ~7264=2...(10) HA LEU 111 - QD1 ILE 80 OK 10 60 - 17 - 6224/4.9=2, 4077/3.2=1...(5) Peak 4099 from cnoeabs.peaks (1.92, 1.27, 14.08 ppm; 3.37 A): 1 out of 18 assignments used, quality = 1.00: * HB ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 3.2=100 HB2 ARG 81 - QD1 ILE 80 OK 38 93 - 40 - 4.0/5744=13, ~7409=4...(13) HB2 LEU 84 - QD1 ILE 80 OK 37 85 - 44 - 3.1/8356=7, 3.1/8357=7...(15) HB2 LEU 21 - QD1 ILE 80 OK 32 100 - 32 - 3.1/8344=8, 1.8/7418=4...(10) HG LEU 58 - QD1 ILE 80 OK 31 97 - 31 - 2.1/7063=6, 2.1/7418=3...(12) HB3 GLU 73 - QD1 ILE 80 OK 29 97 - 30 - 1.8/4101=3, 7438=3...(15) HB3 LYS 119 - QD1 ILE 80 OK 24 81 - 30 - 1.8/8457=5, 3.0/7411=4...(12) HB3 GLU 69 - QD1 ILE 80 OK 22 81 - 27 - 3775/2.1=3, 3.0/4101=3...(11) HB ILE 22 - QD1 ILE 80 OK 17 95 - 18 - 6432=3, 3.9/6430=3, 6432/3.2=3 HB3 PRO 30 - QD1 ILE 80 OK 16 71 - 23 - 1.8/4101=2, 2.3/7417=2...(7) HB2 LYS 109 - QD1 ILE 80 OK 11 92 - 12 - 2.9/7412=2, 4.7/7414=2 HB2 GLU 28 - QD1 ILE 80 lone 7 87 - 8 - 3.8/7394=2 HB3 GLU 64 - QD1 ILE 80 lone 6 95 - 6 - HB2 GLU 64 - QD1 ILE 80 lone 6 92 - 6 - HB2 GLU 38 - QD1 ILE 80 lone 4 85 - 5 - HB3 MET 11 - QD1 ILE 80 lone 3 99 - 3 - HB2 ARG 85 - QD1 ILE 80 lone 3 71 - 4 - HB3 ARG 85 - QD1 ILE 80 lone 3 71 - 4 - Peak 4100 from cnoeabs.peaks (1.27, 1.27, 14.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 80 + QD1 ILE 80 OK 100 100 - 100 Reference assignment not found: QG2 ILE 80 - QD1 ILE 80 Peak 4101 from cnoeabs.peaks (2.16, 1.27, 14.08 ppm; 3.44 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 2.1=100 HB VAL 115 - QD1 ILE 80 OK 27 68 - 40 - 4.0/4097=6, 3.0/4098=5...(17) HG2 GLU 69 - QD1 ILE 80 OK 27 93 - 28 - 4094/2.1=3, 1.8/8343=3...(12) HB2 GLU 73 - QD1 ILE 80 OK 19 65 - 29 - 1.8/7438=3, 4094/2.1=3...(16) HB3 GLU 15 - QD1 ILE 80 OK 18 68 - 27 - 1.8/8343=3, 3.0/7411=3...(13) HB2 PRO 30 - QD1 ILE 80 OK 15 65 - 23 - 1.8/8456=2, 2.3/7417=2...(6) HB VAL 49 - QD1 ILE 80 OK 14 73 - 20 - 2.1/4102=3, 4094/2.1=2...(8) Peak 4102 from cnoeabs.peaks (0.87, 1.27, 14.08 ppm; 3.38 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 2.1=100 QD2 LEU 114 - QD1 ILE 80 OK 29 89 - 33 - 5896/4.9=4, 4067/4.1=3...(14) QD1 ILE 124 - QD1 ILE 80 OK 25 87 - 29 - 4.7/7395=3, 4081/3.2=2...(15) QD2 LEU 59 - QD1 ILE 80 OK 23 95 - 24 - 2.1/8342=3, 4081/3.2=2...(9) QG1 VAL 49 - QD1 ILE 80 OK 19 95 - 20 - 3039/2.1=3, 2.1/4101=2...(8) QD2 LEU 41 - QD1 ILE 80 OK 15 83 - 18 - 2806/4.1=3, 4081/3.2=2...(8) QD1 LEU 59 - QD1 ILE 80 OK 15 65 - 23 - 2.1/8342=3, ~3416=1...(10) QD2 LEU 55 - QD1 ILE 80 poor 10 81 - 12 - 4.0/7412=3, 4.6/247=2 QD2 LEU 126 - QD1 ILE 80 lone 7 100 - 7 - Peak 4103 from cnoeabs.peaks (1.27, 1.27, 14.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + QD1 ILE 80 OK 100 100 - 100 Peak 4104 from cnoeabs.peaks (9.06, 3.99, 60.41 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + HA ARG 81 OK 100 100 - 100 - 2.9=100 Peak 4105 from cnoeabs.peaks (3.99, 3.99, 60.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 81 + HA ARG 81 OK 100 100 - 100 Peak 4106 from cnoeabs.peaks (1.91, 3.99, 60.41 ppm; 3.22 A): 4 out of 17 assignments used, quality = 1.00: * HB2 ARG 81 + HA ARG 81 OK 100 100 - 100 - 3.0=100 HB2 LEU 84 + HA ARG 81 OK 61 100 - 62 - 1.8/6136=13, 3.1/7434=8...(18) HG LEU 84 + HA ARG 81 OK 47 83 - 56 - 3.0/6136=11, 2.1/7433=10...(20) HB ILE 80 + HA ARG 81 OK 46 93 - 49 - 5740/2.9=17, 2.1/7409=8...(14) HB3 GLU 73 - HA ARG 81 OK 24 100 - 24 - 4112/2.9=5, 4113=4...(13) HB2 LYS 119 - HA ARG 81 OK 12 76 - 16 - 2.9/6136=3, 4.0/1788=2 HB ILE 22 - HA ARG 81 lone 10 100 - 10 - 4.4/6138=2, 5479/6138=1 HB2 GLU 28 - HA ARG 81 lone 10 100 - 10 - 3.8/6133=2 HB VAL 50 - HA ARG 81 lone 5 76 - 6 - ~7432=2 HB2 LEU 21 - HA ARG 81 lone 5 87 - 6 - HB3 GLU 64 - HA ARG 81 lone 3 65 - 5 - HB2 LYS 109 - HA ARG 81 lone 3 60 - 5 - 4.6/1746=1, 4.0/1741=1 HG LEU 55 - HA ARG 81 lone 3 73 - 4 - HB2 GLU 64 - HA ARG 81 lone 3 60 - 5 - HB3 LYS 31 - HA ARG 81 lone 3 76 - 3 - HG LEU 58 - HA ARG 81 lone 2 73 - 3 - HB3 MET 11 - HA ARG 81 lone 2 99 - 2 - Peak 4107 from cnoeabs.peaks (2.05, 3.99, 60.41 ppm; 4.11 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 81 + HA ARG 81 OK 100 100 - 100 - 3.0=100 HB ILE 63 + HA ARG 81 OK 53 96 - 55 - 2.1/7433=9, 4.0/289=7...(27) HB2 ARG 57 - HA ARG 81 OK 42 83 - 51 - 4115/3.0=5, 3.5/4111=4...(29) HB2 GLU 56 - HA ARG 81 OK 34 96 - 36 - 4120/2.9=5, 4121=5...(16) HB3 GLU 38 - HA ARG 81 OK 10 99 - 10 - HG3 PRO 70 - HA ARG 81 poor 10 97 - 10 - 393/3.6=2, 1165/2.9=1 HG3 PRO 37 - HA ARG 81 lone 10 100 - 9 - HG3 PRO 60 - HA ARG 81 lone 9 99 - 9 - HG2 GLU 64 - HA ARG 81 lone 6 83 - 7 - 393/3.6=1 HB2 GLN 16 - HA ARG 81 lone 5 65 - 7 - 4.0/5745=2 HB3 GLN 16 - HA ARG 81 lone 5 63 - 7 - 4.0/5745=2 HB2 LEU 114 - HA ARG 81 lone 4 57 - 7 - 1165/2.9=1, 3.1/7433=1 HB2 GLN 105 - HA ARG 81 lone 3 71 - 4 - Peak 4108 from cnoeabs.peaks (1.58, 3.99, 60.41 ppm; 3.93 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 81 + HA ARG 81 OK 99 100 - 99 - 4.0=97, 4128/2.9=13...(17) HG3 ARG 81 + HA ARG 81 OK 99 100 - 99 - 4.0=97, 4128/2.9=13...(17) HG2 ARG 57 - HA ARG 81 OK 38 100 - 38 - 4116/3.0=4, 2.9/4111=4...(18) HG12 ILE 63 - HA ARG 81 OK 35 78 - 44 - 3.2/7433=7, 3519/3.6=5...(20) HD2 LYS 119 - HA ARG 81 OK 18 90 - 20 - 3.0/6136=4, 6.0/1788=2...(5) HD3 LYS 119 - HA ARG 81 OK 18 89 - 20 - 3.0/6136=4, 6.0/1788=2...(7) HG LEU 126 - HA ARG 81 lone 4 92 - 4 - HB2 LEU 126 - HA ARG 81 lone 3 78 - 4 - HB3 LEU 126 - HA ARG 81 lone 3 76 - 4 - HG12 ILE 124 - HA ARG 81 lone 2 63 - 4 - Peak 4109 from cnoeabs.peaks (1.58, 3.99, 60.41 ppm; 3.93 A): 2 out of 10 assignments used, quality = 1.00: HG2 ARG 81 + HA ARG 81 OK 99 100 - 99 - 4.0=97, 4128/2.9=13...(17) * HG3 ARG 81 + HA ARG 81 OK 99 100 - 99 - 4.0=97, 4128/2.9=13...(17) HG2 ARG 57 - HA ARG 81 OK 38 100 - 38 - 4116/3.0=4, 2.9/4111=4...(18) HG12 ILE 63 - HA ARG 81 OK 35 78 - 44 - 3.2/7433=7, 3519/3.6=5...(20) HD2 LYS 119 - HA ARG 81 OK 18 90 - 20 - 3.0/6136=4, 6.0/1788=2...(5) HD3 LYS 119 - HA ARG 81 OK 18 89 - 20 - 3.0/6136=4, 6.0/1788=2...(7) HG LEU 126 - HA ARG 81 lone 4 92 - 4 - HB2 LEU 126 - HA ARG 81 lone 3 78 - 4 - HB3 LEU 126 - HA ARG 81 lone 3 76 - 4 - HG12 ILE 124 - HA ARG 81 lone 2 63 - 4 - Peak 4110 from cnoeabs.peaks (3.20, 3.99, 60.41 ppm; 4.86 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 81 + HA ARG 81 OK 100 100 - 100 - 4.7=100 HB3 PHE 83 + HA ARG 81 OK 55 99 - 56 - 4.5/6133=16, 1.8/7441=11...(15) HD3 ARG 71 - HA ARG 81 OK 41 92 - 45 - 4118/3.0=5, 4144/2.9=5...(17) HD2 ARG 71 - HA ARG 81 OK 37 83 - 45 - 4118/3.0=5, 4144/2.9=4...(17) HA GLN 42 - HA ARG 81 OK 21 96 - 22 - 8565/6.3=3, 1168/2.9=2...(9) HD2 ARG 53 - HA ARG 81 poor 9 71 - 12 - 4144/2.9=1, 4118/3.0=1...(5) HB3 TRP 20 - HA ARG 81 lone 6 76 - 7 - 6546/3.0=1 Peak 4111 from cnoeabs.peaks (3.13, 3.99, 60.41 ppm; 5.21 A): 3 out of 9 assignments used, quality = 1.00: * HD3 ARG 81 + HA ARG 81 OK 100 100 - 100 - 4.7=100 HD3 ARG 57 + HA ARG 81 OK 64 99 - 65 - 4119/3.0=8, 3343/4.0=7...(25) HB2 PHE 107 + HA ARG 81 OK 48 85 - 57 - 2.4/4615=7, 4828=7...(18) HD2 ARG 92 - HA ARG 81 OK 22 87 - 25 - 4152/2.9=3, 4153=3...(13) HD3 ARG 92 - HA ARG 81 OK 22 85 - 25 - 4152/2.9=3, ~4152=3...(15) HB3 CYS 52 - HA ARG 81 OK 12 93 - 12 - 6952/7433=1, 1169/2.9=1...(6) HB3 CYS 76 - HA ARG 81 OK 10 90 - 12 - 4.7/6133=4 HB3 ASP 100 - HA ARG 81 OK 10 93 - 11 - 8150/7868=2 HB2 HIS 10 - HA ARG 81 lone 2 78 - 2 - Peak 4112 from cnoeabs.peaks (9.06, 1.91, 29.62 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.96: * H ARG 81 + HB2 ARG 81 OK 96 100 - 96 - 4.0=84, 390/4.3=21...(17) H ARG 81 - HB3 GLU 73 OK 28 99 - 28 - 1164=4, 2.9/4113=4...(15) Peak 4113 from cnoeabs.peaks (3.99, 1.91, 29.62 ppm; 3.86 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 3.0=100 HA THR 62 - HB2 ARG 81 OK 41 100 - 41 - 3.6/5746=5, 4121/1.8=4...(16) HA PHE 107 - HB2 ARG 81 OK 35 93 - 38 - 4153/3.5=4, 4121/1.8=4...(17) HA ARG 81 - HB3 GLU 73 OK 32 99 - 32 - 2.9/4112=7, 4106=3...(13) HA LEU 117 - HB2 ARG 81 OK 19 100 - 19 - 1163/4.0=2, 4121/1.8=2...(8) HA THR 62 - HB3 GLU 73 lone 9 99 - 9 - 3.0/5713=1, 3.6/5746=1 HA PHE 107 - HB3 GLU 73 lone 4 91 - 5 - HA ALA 14 - HB2 ARG 81 lone 4 60 - 6 - HA LEU 117 - HB3 GLU 73 lone 3 99 - 3 - HA ALA 14 - HB3 GLU 73 lone 1 58 - 2 - Peak 4114 from cnoeabs.peaks (1.91, 1.91, 29.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 HB3 GLU 73 + HB3 GLU 73 OK 99 99 - 100 Peak 4115 from cnoeabs.peaks (2.05, 1.91, 29.62 ppm; 3.12 A): 1 out of 26 assignments used, quality = 1.00: * HB3 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 1.8=100 HB ILE 63 - HB2 ARG 81 OK 40 96 - 42 - 4107/3.0=3, 3505/4.3=3...(22) HB2 ARG 57 - HB2 ARG 81 OK 39 83 - 48 - 1.8/3922=3, 3.5/4119=3...(29) HB2 GLU 56 - HB2 ARG 81 OK 27 96 - 28 - 3.0/6114=4, 4122=3...(13) HB3 ARG 81 - HB3 GLU 73 OK 26 99 - 26 - 4.0/4112=3, 4122=3...(12) HG3 PRO 37 - HB2 ARG 81 lone 8 100 - 7 - HG3 PRO 37 - HB3 GLU 73 lone 7 99 - 7 - 1.8/3920=1 HB2 ARG 57 - HB3 GLU 73 lone 7 81 - 8 - HG3 PRO 60 - HB2 ARG 81 lone 6 99 - 6 - HG3 PRO 70 - HB2 ARG 81 lone 6 97 - 6 - 393/4.3=1 HB3 GLU 38 - HB2 ARG 81 lone 6 99 - 6 - HB ILE 63 - HB3 GLU 73 lone 4 94 - 5 - HB3 GLU 38 - HB3 GLU 73 lone 4 97 - 4 - HG2 GLU 64 - HB2 ARG 81 lone 4 83 - 4 - HB2 LEU 114 - HB2 ARG 81 lone 3 57 - 5 - HB2 GLN 16 - HB2 ARG 81 lone 2 65 - 4 - HB3 GLN 16 - HB2 ARG 81 lone 2 63 - 4 - HB2 GLU 56 - HB3 GLU 73 lone 2 94 - 2 - HB2 GLN 105 - HB2 ARG 81 lone 2 71 - 3 - HB2 LEU 114 - HB3 GLU 73 lone 1 56 - 3 - HG3 PRO 70 - HB3 GLU 73 lone 1 95 - 1 - HB2 GLN 105 - HB3 GLU 73 lone 1 69 - 2 - HG3 PRO 60 - HB3 GLU 73 lone 1 98 - 1 - HG2 GLU 64 - HB3 GLU 73 lone 1 81 - 1 - HB2 GLN 16 - HB3 GLU 73 lone 0 64 - 1 - HB3 GLN 16 - HB3 GLU 73 lone 0 61 - 1 - Peak 4116 from cnoeabs.peaks (1.58, 1.91, 29.62 ppm; 3.33 A): 3 out of 20 assignments used, quality = 1.00: HG3 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 2.9=100 * HG2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 2.9=100 HG2 ARG 57 + HB2 ARG 81 OK 47 100 - 47 - 2.9/4119=4, 3322/3.5=4...(29) HG12 ILE 63 - HB2 ARG 81 OK 33 78 - 42 - 1.8/3922=4, 3.0/4115=4...(23) HG3 ARG 81 - HB3 GLU 73 OK 25 99 - 25 - 4.9/4112=3, 4130=2...(13) HG2 ARG 81 - HB3 GLU 73 OK 25 99 - 25 - 4.9/4112=3, 4130=2...(13) HD2 LYS 119 - HB2 ARG 81 OK 11 90 - 13 - ~6136=1, 4109/3.0=1 HD3 LYS 119 - HB2 ARG 81 OK 11 89 - 13 - ~6136=1, 4109/3.0=1 HG2 ARG 57 - HB3 GLU 73 lone 8 99 - 8 - HG LEU 126 - HB2 ARG 81 lone 4 92 - 4 - HG12 ILE 63 - HB3 GLU 73 lone 4 76 - 5 - HB2 LEU 126 - HB2 ARG 81 lone 4 78 - 4 - HB3 LEU 126 - HB2 ARG 81 lone 4 76 - 4 - HG12 ILE 124 - HB2 ARG 81 lone 2 63 - 3 - HG12 ILE 124 - HB3 GLU 73 lone 2 61 - 3 - 5938/4.2=1 HD2 LYS 119 - HB3 GLU 73 lone 1 88 - 1 - HD3 LYS 119 - HB3 GLU 73 lone 1 87 - 1 - HG LEU 126 - HB3 GLU 73 lone 1 90 - 1 - HB2 LEU 126 - HB3 GLU 73 lone 0 76 - 1 - HB3 LEU 126 - HB3 GLU 73 lone 0 74 - 1 - Peak 4117 from cnoeabs.peaks (1.58, 1.91, 29.62 ppm; 3.33 A): 3 out of 20 assignments used, quality = 1.00: * HG3 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 2.9=100 HG2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 2.9=100 HG2 ARG 57 + HB2 ARG 81 OK 47 100 - 47 - 2.9/4119=4, 3322/3.5=4...(29) HG12 ILE 63 - HB2 ARG 81 OK 33 78 - 42 - 1.8/3922=4, 3.0/4115=4...(23) HG3 ARG 81 - HB3 GLU 73 OK 25 99 - 25 - 4.9/4112=3, 4130=2...(13) HG2 ARG 81 - HB3 GLU 73 OK 25 99 - 25 - 4.9/4112=3, 4130=2...(13) HD2 LYS 119 - HB2 ARG 81 OK 11 90 - 13 - ~6136=1, 4109/3.0=1 HD3 LYS 119 - HB2 ARG 81 OK 11 89 - 13 - ~6136=1, 4109/3.0=1 HG2 ARG 57 - HB3 GLU 73 lone 8 99 - 8 - HG LEU 126 - HB2 ARG 81 lone 4 92 - 4 - HG12 ILE 63 - HB3 GLU 73 lone 4 76 - 5 - HB2 LEU 126 - HB2 ARG 81 lone 4 78 - 4 - HB3 LEU 126 - HB2 ARG 81 lone 4 76 - 4 - HG12 ILE 124 - HB2 ARG 81 lone 2 63 - 3 - HG12 ILE 124 - HB3 GLU 73 lone 2 61 - 3 - 5938/4.2=1 HD2 LYS 119 - HB3 GLU 73 lone 1 88 - 1 - HD3 LYS 119 - HB3 GLU 73 lone 1 87 - 1 - HG LEU 126 - HB3 GLU 73 lone 1 90 - 1 - HB2 LEU 126 - HB3 GLU 73 lone 0 76 - 1 - HB3 LEU 126 - HB3 GLU 73 lone 0 74 - 1 - Peak 4118 from cnoeabs.peaks (3.20, 1.91, 29.62 ppm; 3.90 A): 1 out of 14 assignments used, quality = 1.00: * HD2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 3.5=100 HB3 PHE 83 - HB2 ARG 81 OK 41 99 - 41 - 3.0/6114=5, 396/4.3=5...(16) HD3 ARG 71 - HB2 ARG 81 OK 40 92 - 43 - 4158/3.5=4, 4126/1.8=4...(21) HD2 ARG 71 - HB2 ARG 81 OK 36 83 - 43 - 4158/3.5=4, 4126/1.8=3...(21) HD2 ARG 81 - HB3 GLU 73 OK 32 99 - 32 - 1.8/4154=4, 4146=3...(14) HA GLN 42 - HB2 ARG 81 OK 17 96 - 18 - 8565/5.0=2, 4158/3.5=2...(11) HD2 ARG 53 - HB3 GLU 73 OK 11 69 - 16 - ~6973=3, 6974/1.8=2...(4) HD2 ARG 53 - HB2 ARG 81 poor 10 71 - 13 - 4126/1.8=1 HB3 TRP 20 - HB2 ARG 81 lone 4 76 - 6 - HB3 PHE 83 - HB3 GLU 73 lone 4 97 - 4 - HA GLN 42 - HB3 GLU 73 lone 3 94 - 3 - HD3 ARG 71 - HB3 GLU 73 lone 2 90 - 2 - HD2 ARG 71 - HB3 GLU 73 lone 2 81 - 2 - HB3 TRP 20 - HB3 GLU 73 lone 1 74 - 1 - Peak 4119 from cnoeabs.peaks (3.13, 1.91, 29.62 ppm; 3.92 A): 2 out of 18 assignments used, quality = 1.00: * HD3 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 3.5=100 HD3 ARG 57 + HB2 ARG 81 OK 65 99 - 65 - 3343/2.9=6, 3343/2.9=6...(41) HB2 PHE 107 - HB2 ARG 81 OK 41 85 - 48 - 4828/3.0=5, 3.0/4113=4...(25) HD3 ARG 81 - HB3 GLU 73 OK 32 99 - 33 - 4154=4, 1.8/4118=4...(14) HB3 CYS 76 - HB3 GLU 73 OK 22 88 - 25 - ~6080=10, 6082/3.0=7...(4) HD2 ARG 92 - HB2 ARG 81 OK 17 87 - 19 - 4152/4.0=2, 4127/1.8=1...(8) HD3 ARG 92 - HB2 ARG 81 OK 16 85 - 19 - 4152/4.0=2, 4127/1.8=1...(8) HD3 ARG 57 - HB3 GLU 73 OK 11 98 - 12 - 6082/3.0=2, ~6076=1 HB3 CYS 52 - HB2 ARG 81 lone 8 93 - 8 - HB3 ASP 100 - HB2 ARG 81 lone 5 93 - 6 - HB3 CYS 76 - HB2 ARG 81 lone 5 90 - 6 - HB2 PHE 107 - HB3 GLU 73 lone 5 83 - 6 - 6082/3.0=1, ~6080=1 HB3 CYS 52 - HB3 GLU 73 lone 3 91 - 4 - 6082/3.0=1 HB3 ASP 100 - HB3 GLU 73 lone 1 91 - 2 - HB2 HIS 10 - HB2 ARG 81 lone 1 78 - 2 - HD2 ARG 92 - HB3 GLU 73 lone 1 85 - 1 - HD3 ARG 92 - HB3 GLU 73 lone 1 83 - 1 - HB2 HIS 10 - HB3 GLU 73 lone 1 76 - 1 - Peak 4120 from cnoeabs.peaks (9.06, 2.05, 29.62 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 4.0=100 H ARG 81 - HB2 GLU 56 OK 24 94 - 25 - 7437/3.0=5, 1165=5...(9) H ARG 81 - HB2 GLN 105 lone 1 38 - 3 - Peak 4121 from cnoeabs.peaks (3.99, 2.05, 29.62 ppm; 4.40 A): 2 out of 15 assignments used, quality = 1.00: * HA ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 3.0=100 HA THR 62 + HB3 ARG 81 OK 50 100 - 50 - 4113/1.8=7, 3.0/7107=6...(17) HA PHE 107 - HB3 ARG 81 OK 44 93 - 47 - 4113/1.8=6, 4153/3.5=6...(20) HA ARG 81 - HB2 GLU 56 OK 37 94 - 40 - 2.9/4120=6, 4107=6...(18) HA LEU 117 - HB2 GLU 56 OK 31 92 - 34 - 6258/3.0=5, ~8300=4...(17) HA THR 62 - HB2 GLU 56 OK 31 93 - 33 - ~8299=11, 3.6/5747=4...(10) HA LEU 117 - HB3 ARG 81 OK 24 100 - 24 - 4113/1.8=3, 1163/4.0=3...(10) HA ALA 14 - HB3 ARG 81 lone 5 60 - 8 - 391/4.3=1 HA LEU 117 - HB2 GLN 105 poor 4 38 - 11 - 6258/3.0=2, 6258/3.0=2...(4) HA PHE 107 - HB2 GLN 105 lone 3 32 - 9 - ~7809=7 HA PHE 107 - HB2 GLU 56 lone 3 84 - 3 - HA ALA 14 - HB2 GLU 56 lone 2 52 - 5 - ~6307=1 HA ARG 81 - HB2 GLN 105 lone 2 38 - 4 - HA THR 62 - HB2 GLN 105 lone 1 38 - 3 - HA ALA 14 - HB2 GLN 105 lone 0 18 - 2 - Peak 4122 from cnoeabs.peaks (1.91, 2.05, 29.62 ppm; 3.35 A): 2 out of 51 assignments used, quality = 1.00: * HB2 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 1.8=100 HB2 LEU 84 + HB3 ARG 81 OK 54 100 - 54 - ~6136=7, 6135/3.0=7...(29) HG LEU 84 - HB3 ARG 81 OK 41 83 - 50 - ~7434=6, ~6136=5...(25) HB ILE 80 - HB3 ARG 81 OK 38 93 - 41 - 5740/4.0=15, ~7409=5...(16) HB2 ARG 81 - HB2 GLU 56 OK 31 94 - 33 - 6114/3.0=5, 4115=4...(15) HB3 GLU 73 - HB3 ARG 81 OK 30 100 - 30 - 4115=4, 4112/4.0=4...(13) HG LEU 55 - HB2 GLU 56 OK 11 64 - 17 - 4.8/1033=5, 2.1/6909=2...(7) HB2 GLU 28 - HB3 ARG 81 lone 9 100 - 9 - ~6114=1 HB2 GLU 28 - HB2 GLU 56 lone 8 93 - 9 - 2311/3.0=1 HB2 LYS 119 - HB3 ARG 81 poor 8 76 - 10 - ~6136=1, 6134/3.0=1 HB ILE 22 - HB3 ARG 81 lone 7 100 - 7 - HB3 GLU 64 - HB3 ARG 81 lone 5 65 - 7 - HB2 GLU 64 - HB3 ARG 81 lone 4 60 - 7 - HB2 LYS 119 - HB2 GLU 56 lone 4 66 - 6 - 5200/4.6=2, 5200/3.7=1 HG LEU 55 - HB3 ARG 81 lone 4 73 - 5 - 4.8/1033=1 HB2 LEU 21 - HB3 ARG 81 lone 4 87 - 4 - HB VAL 50 - HB3 ARG 81 lone 3 76 - 4 - HB ILE 80 - HB2 GLU 56 lone 3 84 - 4 - 4.4/4120=2 HB3 MET 11 - HB2 GLN 105 lone 3 36 - 9 - 1851/3.0=2, ~1845=1 HB2 LEU 84 - HB2 GLU 56 lone 3 92 - 3 - HB ILE 22 - HB2 GLU 56 lone 3 94 - 3 - HB3 MET 11 - HB3 ARG 81 lone 3 99 - 3 - HB3 GLU 73 - HB2 GLU 56 lone 2 93 - 3 - HG LEU 84 - HB2 GLU 56 lone 2 73 - 3 - HG LEU 58 - HB3 ARG 81 lone 2 73 - 3 - HB3 LYS 31 - HB3 ARG 81 lone 2 76 - 3 - HG LEU 58 - HB2 GLU 56 lone 2 64 - 3 - HB3 GLU 64 - HB2 GLU 56 lone 2 56 - 3 - HB2 GLU 64 - HB2 GLU 56 lone 1 52 - 3 - HB3 LYS 31 - HB2 GLU 56 lone 1 66 - 2 - 254/3.7=1 HB VAL 50 - HB2 GLU 56 lone 1 66 - 2 - HB2 LYS 109 - HB3 ARG 81 lone 1 60 - 2 - HB2 ARG 81 - HB2 GLN 105 lone 1 38 - 3 - HB2 LEU 21 - HB2 GLU 56 lone 1 77 - 1 - HB2 LEU 21 - HB2 GLN 105 lone 1 29 - 3 - HB ILE 22 - HB2 GLN 105 lone 1 38 - 2 - HB3 GLU 73 - HB2 GLN 105 lone 1 38 - 2 - HB2 LYS 109 - HB2 GLU 56 lone 1 52 - 1 - HB3 MET 11 - HB2 GLU 56 lone 1 91 - 1 - HB ILE 80 - HB2 GLN 105 lone 0 32 - 1 - HB2 GLU 28 - HB2 GLN 105 lone 0 38 - 1 - HB3 GLU 64 - HB2 GLN 105 lone 0 20 - 2 - HB2 GLU 64 - HB2 GLN 105 lone 0 18 - 2 - HB2 LEU 84 - HB2 GLN 105 lone 0 38 - 1 - HB2 LYS 119 - HB2 GLN 105 lone 0 24 - 1 - HG LEU 58 - HB2 GLN 105 lone 0 23 - 1 - HB3 LYS 31 - HB2 GLN 105 lone 0 24 - 1 - HG LEU 84 - HB2 GLN 105 lone 0 27 - 1 - HG LEU 55 - HB2 GLN 105 lone 0 23 - 1 - HB2 LYS 109 - HB2 GLN 105 lone 0 18 - 1 - HB VAL 50 - HB2 GLN 105 lone 0 24 - 0 - Peak 4123 from cnoeabs.peaks (2.05, 2.05, 29.62 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 HB2 GLU 56 + HB2 GLU 56 OK 86 86 - 100 HB2 GLN 105 - HB2 GLN 105 OK 22 22 - 100 Peak 4124 from cnoeabs.peaks (1.58, 2.05, 29.62 ppm; 3.96 A): 3 out of 30 assignments used, quality = 1.00: * HG2 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 2.9=100 HG3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 2.9=100 HG2 ARG 57 + HB3 ARG 81 OK 61 100 - 61 - 4116/1.8=5, 3322/3.5=5...(33) HG12 ILE 63 - HB3 ARG 81 OK 44 78 - 56 - 3519/4.3=5, 2.1/3535=4...(30) HG12 ILE 63 - HB2 GLU 56 OK 41 68 - 60 - 7133/3.7=8, ~7026=6...(29) HG3 ARG 81 - HB2 GLU 56 OK 37 94 - 39 - 2.9/4115=3, 4.9/4120=3...(20) HG2 ARG 81 - HB2 GLU 56 OK 37 94 - 39 - 2.9/4115=3, 4.9/4120=3...(20) HG2 ARG 57 - HB2 GLU 56 OK 25 94 - 26 - 3315/4.6=6, 3318/1.8=2...(10) HD2 LYS 119 - HB3 ARG 81 OK 16 90 - 18 - ~6136=2, 4108/3.0=2...(6) HD3 LYS 119 - HB3 ARG 81 OK 16 89 - 18 - ~6136=2, 4108/3.0=2...(6) HG2 ARG 57 - HB2 GLN 105 poor 7 38 - 18 - 3317=1, 3318/1.8=1...(7) HG LEU 126 - HB3 ARG 81 lone 6 92 - 6 - HB2 LEU 126 - HB3 ARG 81 lone 6 78 - 7 - HD2 LYS 119 - HB2 GLU 56 lone 6 80 - 7 - 1041/4.6=2 HD3 LYS 119 - HB2 GLU 56 lone 5 79 - 7 - 1041/4.6=2 HB3 LEU 126 - HB3 ARG 81 lone 5 76 - 7 - HG LEU 126 - HB2 GLU 56 lone 3 82 - 4 - HG12 ILE 124 - HB3 ARG 81 lone 3 63 - 5 - HG12 ILE 63 - HB2 GLN 105 poor 3 25 - 11 - 1.8/3528=1 HB2 LEU 126 - HB2 GLU 56 lone 2 68 - 3 - HG12 ILE 124 - HB2 GLU 56 lone 2 54 - 4 - HB3 LEU 126 - HB2 GLU 56 lone 2 66 - 3 - HG2 ARG 81 - HB2 GLN 105 lone 1 38 - 4 - HG3 ARG 81 - HB2 GLN 105 lone 1 38 - 4 - HD2 LYS 119 - HB2 GLN 105 lone 0 31 - 2 - HD3 LYS 119 - HB2 GLN 105 lone 0 30 - 2 - HG12 ILE 124 - HB2 GLN 105 lone 0 19 - 2 - HG LEU 126 - HB2 GLN 105 lone 0 31 - 1 - HB2 LEU 126 - HB2 GLN 105 lone 0 25 - 1 - HB3 LEU 126 - HB2 GLN 105 lone 0 24 - 1 - Peak 4125 from cnoeabs.peaks (1.58, 2.05, 29.62 ppm; 3.96 A): 3 out of 30 assignments used, quality = 1.00: HG2 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 2.9=100 * HG3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 2.9=100 HG2 ARG 57 + HB3 ARG 81 OK 61 100 - 61 - 4116/1.8=5, 3322/3.5=5...(33) HG12 ILE 63 - HB3 ARG 81 OK 44 78 - 56 - 3519/4.3=5, 2.1/3535=4...(30) HG12 ILE 63 - HB2 GLU 56 OK 41 68 - 60 - 7133/3.7=8, ~7026=6...(29) HG3 ARG 81 - HB2 GLU 56 OK 37 94 - 39 - 2.9/4115=3, 4.9/4120=3...(20) HG2 ARG 81 - HB2 GLU 56 OK 37 94 - 39 - 2.9/4115=3, 4.9/4120=3...(20) HG2 ARG 57 - HB2 GLU 56 OK 25 94 - 26 - 3315/4.6=6, 3318/1.8=2...(10) HD2 LYS 119 - HB3 ARG 81 OK 16 90 - 18 - ~6136=2, 4108/3.0=2...(6) HD3 LYS 119 - HB3 ARG 81 OK 16 89 - 18 - ~6136=2, 4108/3.0=2...(6) HG2 ARG 57 - HB2 GLN 105 poor 7 38 - 18 - 3317=1, 3318/1.8=1...(7) HG LEU 126 - HB3 ARG 81 lone 6 92 - 6 - HB2 LEU 126 - HB3 ARG 81 lone 6 78 - 7 - HD2 LYS 119 - HB2 GLU 56 lone 6 80 - 7 - 1041/4.6=2 HD3 LYS 119 - HB2 GLU 56 lone 5 79 - 7 - 1041/4.6=2 HB3 LEU 126 - HB3 ARG 81 lone 5 76 - 7 - HG LEU 126 - HB2 GLU 56 lone 3 82 - 4 - HG12 ILE 124 - HB3 ARG 81 lone 3 63 - 5 - HG12 ILE 63 - HB2 GLN 105 poor 3 25 - 11 - 1.8/3528=1 HB2 LEU 126 - HB2 GLU 56 lone 2 68 - 3 - HG12 ILE 124 - HB2 GLU 56 lone 2 54 - 4 - HB3 LEU 126 - HB2 GLU 56 lone 2 66 - 3 - HG2 ARG 81 - HB2 GLN 105 lone 1 38 - 4 - HG3 ARG 81 - HB2 GLN 105 lone 1 38 - 4 - HD2 LYS 119 - HB2 GLN 105 lone 0 31 - 2 - HD3 LYS 119 - HB2 GLN 105 lone 0 30 - 2 - HG12 ILE 124 - HB2 GLN 105 lone 0 19 - 2 - HG LEU 126 - HB2 GLN 105 lone 0 31 - 1 - HB2 LEU 126 - HB2 GLN 105 lone 0 25 - 1 - HB3 LEU 126 - HB2 GLN 105 lone 0 24 - 1 - Peak 4126 from cnoeabs.peaks (3.20, 2.05, 29.62 ppm; 4.72 A): 4 out of 21 assignments used, quality = 1.00: * HD2 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 3.5=100 HD3 ARG 71 + HB3 ARG 81 OK 52 92 - 57 - 4118/1.8=6, 4158/3.5=5...(29) HB3 PHE 83 + HB3 ARG 81 OK 47 99 - 48 - 396/4.3=8, 4110/3.0=6...(14) HD2 ARG 71 + HB3 ARG 81 OK 47 83 - 57 - 4118/1.8=6, ~4118=5...(29) HD2 ARG 81 - HB2 GLU 56 OK 42 94 - 45 - 7443/3.0=4, 1.8/4155=4...(24) HA GLN 42 - HB3 ARG 81 OK 24 96 - 25 - 8565/5.0=4, 4118/1.8=3...(13) HD2 ARG 53 - HB2 GLU 56 OK 16 61 - 27 - 5.3/6066=5, 3.6/3132=3...(11) HD2 ARG 53 - HB3 ARG 81 OK 14 71 - 19 - 4118/1.8=2, ~8539=1...(4) HB3 TRP 20 - HB3 ARG 81 lone 7 76 - 8 - 6546=1 HB3 PHE 83 - HB2 GLU 56 lone 6 91 - 7 - HD3 ARG 71 - HB2 GLU 56 lone 5 82 - 6 - 6.2/331=2 HD2 ARG 71 - HB2 GLU 56 lone 4 73 - 5 - 6.2/331=2 HA GLN 42 - HB2 GLU 56 lone 3 86 - 3 - HD2 ARG 81 - HB2 GLN 105 lone 2 38 - 5 - HB3 TRP 20 - HB2 GLN 105 lone 1 24 - 4 - HD2 ARG 53 - HB2 GLN 105 lone 1 22 - 4 - HB3 TRP 20 - HB2 GLU 56 lone 1 66 - 1 - HA GLN 42 - HB2 GLN 105 lone 1 34 - 2 - HB3 PHE 83 - HB2 GLN 105 lone 1 36 - 1 - HD3 ARG 71 - HB2 GLN 105 lone 0 31 - 1 - HD2 ARG 71 - HB2 GLN 105 lone 0 27 - 1 - Peak 4127 from cnoeabs.peaks (3.13, 2.05, 29.62 ppm; 4.53 A): 3 out of 27 assignments used, quality = 1.00: * HD3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 3.5=100 HD3 ARG 57 + HB3 ARG 81 OK 76 99 - 77 - 4119/1.8=9, 3343/2.9=7...(40) HB2 PHE 107 + HB3 ARG 81 OK 51 85 - 60 - 4828/3.0=6, 4119/1.8=6...(25) HD3 ARG 81 - HB2 GLU 56 OK 40 94 - 43 - 4155=5, 1044/4.6=4...(22) HD3 ARG 57 - HB2 GLU 56 OK 31 92 - 34 - 3339/4.6=9, 3342/1.8=3...(14) HD2 ARG 92 - HB3 ARG 81 OK 22 87 - 25 - 4119/1.8=2, 4152/4.0=2...(13) HD3 ARG 92 - HB3 ARG 81 OK 22 85 - 25 - 4119/1.8=2, 4152/4.0=2...(13) HB3 ASP 100 - HB2 GLN 105 OK 17 32 - 53 - ~7695=13, 3.0/7696=11...(12) HB3 CYS 52 - HB3 ARG 81 OK 12 93 - 13 - 4119/1.8=1, 4111/3.0=1...(5) HD2 ARG 92 - HB2 GLU 56 OK 11 77 - 14 - 4455/3.0=1, 4457/1.8=1 HD3 ARG 92 - HB2 GLU 56 OK 10 75 - 14 - 4455/3.0=1, 4457/1.8=1 HD3 ARG 57 - HB2 GLN 105 poor 9 37 - 23 - 7786/4.1=3, 3342/1.8=2...(10) HB3 CYS 52 - HB2 GLU 56 lone 8 84 - 10 - 3117/4.6=3, 4.4/1012=2 HB3 ASP 100 - HB3 ARG 81 lone 7 93 - 7 - HB3 CYS 76 - HB3 ARG 81 lone 7 90 - 7 - 3.0/7326=1 HB2 PHE 107 - HB2 GLU 56 lone 4 75 - 5 - 1044/4.6=1 HB3 CYS 76 - HB2 GLN 105 poor 4 31 - 12 - 3.0/7326=2, 7786/4.1=2...(5) HB3 ASP 100 - HB2 GLU 56 lone 3 84 - 4 - 1044/4.6=1 HB3 CYS 76 - HB2 GLU 56 lone 3 80 - 3 - HB2 PHE 107 - HB2 GLN 105 lone 2 28 - 9 - 7786/4.1=6 HD3 ARG 81 - HB2 GLN 105 lone 2 38 - 6 - 7786/4.1=1 HB2 HIS 10 - HB3 ARG 81 lone 2 78 - 2 - HB3 CYS 52 - HB2 GLN 105 lone 1 32 - 4 - 7786/4.1=1 HB2 HIS 10 - HB2 GLU 56 lone 1 68 - 1 - HD2 ARG 92 - HB2 GLN 105 lone 1 29 - 3 - HD3 ARG 92 - HB2 GLN 105 lone 1 28 - 3 - HB2 HIS 10 - HB2 GLN 105 lone 0 25 - 1 - Peak 4128 from cnoeabs.peaks (9.06, 1.58, 29.66 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.99: H ARG 81 + HG3 ARG 81 OK 93 100 - 93 - 4.9=68, 4112/2.9=28...(12) * H ARG 81 + HG2 ARG 81 OK 93 100 - 93 - 4.9=68, 4112/2.9=28...(12) Peak 4129 from cnoeabs.peaks (3.99, 1.58, 29.66 ppm; 4.16 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 4.0=100 HA ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 4.0=100 HA THR 62 - HG3 ARG 81 OK 36 100 - 36 - 4113/2.9=6, 4121/2.9=4...(14) HA THR 62 - HG2 ARG 81 OK 36 100 - 36 - 4113/2.9=6, 4121/2.9=4...(14) HA PHE 107 - HG2 ARG 81 OK 33 93 - 35 - 4153/3.0=6, 4826/4.0=5...(14) HA PHE 107 - HG3 ARG 81 OK 33 93 - 35 - 4153/3.0=6, 4826/4.0=5...(14) HA LEU 117 - HG3 ARG 81 OK 13 100 - 13 - 4113/2.9=3, 1163/4.9=2...(5) HA LEU 117 - HG2 ARG 81 OK 13 100 - 13 - 4113/2.9=3, 1163/4.9=2...(5) HA ALA 14 - HG3 ARG 81 lone 3 60 - 4 - HA ALA 14 - HG2 ARG 81 lone 3 60 - 4 - Peak 4130 from cnoeabs.peaks (1.91, 1.58, 29.66 ppm; 3.20 A): 2 out of 34 assignments used, quality = 1.00: HB2 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 2.9=100 * HB2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 2.9=100 HB2 LEU 84 - HG3 ARG 81 OK 29 100 - 29 - 6135/4.0=5, 4122/2.9=3...(11) HB2 LEU 84 - HG2 ARG 81 OK 29 100 - 29 - 6135/4.0=5, 4122/2.9=3...(11) HB ILE 80 - HG3 ARG 81 OK 27 93 - 29 - 5740/4.9=10, 4106/4.0=2...(11) HB ILE 80 - HG2 ARG 81 OK 27 93 - 29 - 5740/4.9=10, 4106/4.0=2...(11) HB3 GLU 73 - HG2 ARG 81 OK 23 100 - 24 - 4117=3, 4112/4.9=3...(12) HB3 GLU 73 - HG3 ARG 81 OK 23 100 - 24 - 4117=3, 4112/4.9=3...(12) HG LEU 84 - HG2 ARG 81 OK 22 83 - 26 - 7492/4.0=3, 2.1/8517=3...(15) HG LEU 84 - HG3 ARG 81 OK 22 83 - 26 - 7492/4.0=3, 2.1/8517=3...(15) HB2 LYS 119 - HG3 ARG 81 lone 7 76 - 9 - HB2 LYS 119 - HG2 ARG 81 lone 7 76 - 9 - HB2 GLU 28 - HG3 ARG 81 lone 6 100 - 6 - HB2 GLU 28 - HG2 ARG 81 lone 6 100 - 6 - HB ILE 22 - HG3 ARG 81 lone 5 100 - 5 - HB ILE 22 - HG2 ARG 81 lone 5 100 - 5 - HB2 LEU 21 - HG3 ARG 81 lone 2 87 - 3 - HB2 LEU 21 - HG2 ARG 81 lone 2 87 - 3 - HB3 GLU 64 - HG3 ARG 81 lone 2 65 - 4 - HB3 GLU 64 - HG2 ARG 81 lone 2 65 - 4 - HG LEU 55 - HG2 ARG 81 lone 2 73 - 3 - HG LEU 55 - HG3 ARG 81 lone 2 73 - 3 - HB2 GLU 64 - HG2 ARG 81 lone 2 60 - 4 - HB2 GLU 64 - HG3 ARG 81 lone 2 60 - 4 - HB VAL 50 - HG3 ARG 81 lone 2 76 - 3 - HB VAL 50 - HG2 ARG 81 lone 2 76 - 3 - HB3 MET 11 - HG2 ARG 81 lone 2 99 - 2 - HB3 MET 11 - HG3 ARG 81 lone 2 99 - 2 - HG LEU 58 - HG2 ARG 81 lone 2 73 - 2 - HG LEU 58 - HG3 ARG 81 lone 2 73 - 2 - HB3 LYS 31 - HG2 ARG 81 lone 2 76 - 2 - HB3 LYS 31 - HG3 ARG 81 lone 2 76 - 2 - HB2 LYS 109 - HG2 ARG 81 lone 1 60 - 1 - HB2 LYS 109 - HG3 ARG 81 lone 1 60 - 1 - Peak 4131 from cnoeabs.peaks (2.05, 1.58, 29.66 ppm; 3.81 A): 6 out of 26 assignments used, quality = 1.00: * HB3 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 2.9=100 HB3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 2.9=100 HB2 ARG 57 + HG3 ARG 81 OK 61 83 - 73 - 3303=6, 3.0/3327=6...(51) HB2 ARG 57 + HG2 ARG 81 OK 61 83 - 73 - 3303=6, 3.0/3327=6...(51) HB ILE 63 + HG3 ARG 81 OK 55 96 - 58 - 4115/2.9=5, 2.1/7440=5...(32) HB ILE 63 + HG2 ARG 81 OK 55 96 - 58 - 4115/2.9=5, 2.1/7440=5...(32) HB2 GLU 56 - HG2 ARG 81 OK 36 96 - 37 - 4115/2.9=3, 4125=3...(19) HB2 GLU 56 - HG3 ARG 81 OK 36 96 - 37 - 4115/2.9=3, 4125=3...(19) HB3 GLU 38 - HG2 ARG 81 lone 8 99 - 9 - HB3 GLU 38 - HG3 ARG 81 lone 8 99 - 9 - HG3 PRO 60 - HG3 ARG 81 lone 8 99 - 8 - HG3 PRO 60 - HG2 ARG 81 lone 8 99 - 8 - HG3 PRO 37 - HG2 ARG 81 lone 8 100 - 8 - HG3 PRO 37 - HG3 ARG 81 lone 8 100 - 8 - HG3 PRO 70 - HG2 ARG 81 lone 6 97 - 6 - HG3 PRO 70 - HG3 ARG 81 lone 6 97 - 6 - HG2 GLU 64 - HG3 ARG 81 lone 4 83 - 5 - HG2 GLU 64 - HG2 ARG 81 lone 4 83 - 5 - HB2 LEU 114 - HG2 ARG 81 lone 3 57 - 5 - HB2 LEU 114 - HG3 ARG 81 lone 3 57 - 5 - HB2 GLN 105 - HG2 ARG 81 lone 2 71 - 3 - HB2 GLN 105 - HG3 ARG 81 lone 2 71 - 3 - HB2 GLN 16 - HG3 ARG 81 lone 2 65 - 3 - HB2 GLN 16 - HG2 ARG 81 lone 2 65 - 3 - HB3 GLN 16 - HG2 ARG 81 lone 2 63 - 3 - HB3 GLN 16 - HG3 ARG 81 lone 2 63 - 3 - Peak 4132 from cnoeabs.peaks (1.58, 1.58, 29.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 * HG2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 Peak 4133 from cnoeabs.peaks (1.58, 1.58, 29.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 HG2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 Reference assignment not found: HG3 ARG 81 - HG2 ARG 81 Peak 4134 from cnoeabs.peaks (3.20, 1.58, 29.66 ppm; 4.14 A): 2 out of 14 assignments used, quality = 1.00: * HD2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 3.0=100 HD2 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 3.0=100 HD3 ARG 71 - HG2 ARG 81 OK 42 92 - 46 - 4158/3.0=5, 4118/2.9=4...(23) HD3 ARG 71 - HG3 ARG 81 OK 42 92 - 46 - 4158/3.0=5, 4118/2.9=4...(23) HD2 ARG 71 - HG2 ARG 81 OK 38 83 - 46 - 4158/3.0=4, 4118/2.9=4...(23) HD2 ARG 71 - HG3 ARG 81 OK 38 83 - 46 - 4158/3.0=4, 4118/2.9=4...(23) HB3 PHE 83 - HG2 ARG 81 OK 31 99 - 32 - 4118/2.9=4, 4110/4.0=4...(12) HB3 PHE 83 - HG3 ARG 81 OK 31 99 - 32 - 4118/2.9=4, 4110/4.0=4...(12) HA GLN 42 - HG2 ARG 81 OK 18 96 - 18 - 8565/4.0=3, 4158/3.0=2...(10) HA GLN 42 - HG3 ARG 81 OK 18 96 - 18 - 8565/4.0=3, 4158/3.0=2...(10) HD2 ARG 53 - HG2 ARG 81 OK 11 71 - 15 - ~8539=1, 4118/2.9=1 HD2 ARG 53 - HG3 ARG 81 OK 11 71 - 15 - ~8539=1, 4118/2.9=1 HB3 TRP 20 - HG3 ARG 81 lone 4 76 - 5 - HB3 TRP 20 - HG2 ARG 81 lone 4 76 - 5 - Peak 4135 from cnoeabs.peaks (3.13, 1.58, 29.66 ppm; 4.41 A): 6 out of 18 assignments used, quality = 1.00: * HD3 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 3.0=100 HD3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 3.0=100 HD3 ARG 57 + HG2 ARG 81 OK 82 99 - 83 - 3343=9, 3343/1.8=9...(46) HD3 ARG 57 + HG3 ARG 81 OK 82 99 - 83 - 3343=9, 3343/1.8=9...(46) HB2 PHE 107 + HG2 ARG 81 OK 45 85 - 54 - 4833/4.0=6, ~8564=5...(22) HB2 PHE 107 + HG3 ARG 81 OK 45 85 - 54 - 4833/4.0=6, ~8564=5...(22) HD2 ARG 92 - HG2 ARG 81 OK 19 87 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HD2 ARG 92 - HG3 ARG 81 OK 19 87 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HD3 ARG 92 - HG3 ARG 81 OK 19 85 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HD3 ARG 92 - HG2 ARG 81 OK 19 85 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HB3 CYS 52 - HG3 ARG 81 OK 13 93 - 13 - ~3116=1, 8286/1.8=1, 8286=1 HB3 CYS 52 - HG2 ARG 81 OK 13 93 - 13 - ~3116=1, 8286/1.8=1, 8286=1 HB3 ASP 100 - HG3 ARG 81 lone 6 93 - 7 - HB3 ASP 100 - HG2 ARG 81 lone 6 93 - 7 - HB3 CYS 76 - HG3 ARG 81 lone 6 90 - 7 - HB3 CYS 76 - HG2 ARG 81 lone 6 90 - 7 - HB2 HIS 10 - HG3 ARG 81 lone 2 78 - 2 - HB2 HIS 10 - HG2 ARG 81 lone 2 78 - 2 - Peak 4136 from cnoeabs.peaks (9.06, 1.58, 29.66 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.99: * H ARG 81 + HG3 ARG 81 OK 93 100 - 93 - 4.9=68, 4112/2.9=28...(12) H ARG 81 + HG2 ARG 81 OK 93 100 - 93 - 4.9=68, 4112/2.9=28...(12) Peak 4137 from cnoeabs.peaks (3.99, 1.58, 29.66 ppm; 4.16 A): 2 out of 10 assignments used, quality = 1.00: HA ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 4.0=100 * HA ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 4.0=100 HA THR 62 - HG3 ARG 81 OK 36 100 - 36 - 4113/2.9=6, 4121/2.9=4...(14) HA THR 62 - HG2 ARG 81 OK 36 100 - 36 - 4113/2.9=6, 4121/2.9=4...(14) HA PHE 107 - HG2 ARG 81 OK 33 93 - 35 - 4153/3.0=6, 4826/4.0=5...(14) HA PHE 107 - HG3 ARG 81 OK 33 93 - 35 - 4153/3.0=6, 4826/4.0=5...(14) HA LEU 117 - HG3 ARG 81 OK 13 100 - 13 - 4113/2.9=3, 1163/4.9=2...(5) HA LEU 117 - HG2 ARG 81 OK 13 100 - 13 - 4113/2.9=3, 1163/4.9=2...(5) HA ALA 14 - HG3 ARG 81 lone 3 60 - 4 - HA ALA 14 - HG2 ARG 81 lone 3 60 - 4 - Peak 4138 from cnoeabs.peaks (1.91, 1.58, 29.66 ppm; 3.20 A): 2 out of 34 assignments used, quality = 1.00: * HB2 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 2.9=100 HB2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 2.9=100 HB2 LEU 84 - HG3 ARG 81 OK 29 100 - 29 - 6135/4.0=5, 4122/2.9=3...(11) HB2 LEU 84 - HG2 ARG 81 OK 29 100 - 29 - 6135/4.0=5, 4122/2.9=3...(11) HB ILE 80 - HG3 ARG 81 OK 27 93 - 29 - 5740/4.9=10, 4106/4.0=2...(11) HB ILE 80 - HG2 ARG 81 OK 27 93 - 29 - 5740/4.9=10, 4106/4.0=2...(11) HB3 GLU 73 - HG2 ARG 81 OK 23 100 - 24 - 4117=3, 4112/4.9=3...(12) HB3 GLU 73 - HG3 ARG 81 OK 23 100 - 24 - 4117=3, 4112/4.9=3...(12) HG LEU 84 - HG2 ARG 81 OK 22 83 - 26 - 7492/4.0=3, 2.1/8517=3...(15) HG LEU 84 - HG3 ARG 81 OK 22 83 - 26 - 7492/4.0=3, 2.1/8517=3...(15) HB2 LYS 119 - HG3 ARG 81 lone 7 76 - 9 - HB2 LYS 119 - HG2 ARG 81 lone 7 76 - 9 - HB2 GLU 28 - HG3 ARG 81 lone 6 100 - 6 - HB2 GLU 28 - HG2 ARG 81 lone 6 100 - 6 - HB ILE 22 - HG3 ARG 81 lone 5 100 - 5 - HB ILE 22 - HG2 ARG 81 lone 5 100 - 5 - HB2 LEU 21 - HG3 ARG 81 lone 2 87 - 3 - HB2 LEU 21 - HG2 ARG 81 lone 2 87 - 3 - HB3 GLU 64 - HG3 ARG 81 lone 2 65 - 4 - HB3 GLU 64 - HG2 ARG 81 lone 2 65 - 4 - HG LEU 55 - HG2 ARG 81 lone 2 73 - 3 - HG LEU 55 - HG3 ARG 81 lone 2 73 - 3 - HB2 GLU 64 - HG2 ARG 81 lone 2 60 - 4 - HB2 GLU 64 - HG3 ARG 81 lone 2 60 - 4 - HB VAL 50 - HG3 ARG 81 lone 2 76 - 3 - HB VAL 50 - HG2 ARG 81 lone 2 76 - 3 - HB3 MET 11 - HG2 ARG 81 lone 2 99 - 2 - HB3 MET 11 - HG3 ARG 81 lone 2 99 - 2 - HG LEU 58 - HG2 ARG 81 lone 2 73 - 2 - HG LEU 58 - HG3 ARG 81 lone 2 73 - 2 - HB3 LYS 31 - HG2 ARG 81 lone 2 76 - 2 - HB3 LYS 31 - HG3 ARG 81 lone 2 76 - 2 - HB2 LYS 109 - HG2 ARG 81 lone 1 60 - 1 - HB2 LYS 109 - HG3 ARG 81 lone 1 60 - 1 - Peak 4139 from cnoeabs.peaks (2.05, 1.58, 29.66 ppm; 3.81 A): 6 out of 26 assignments used, quality = 1.00: HB3 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 2.9=100 * HB3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 2.9=100 HB2 ARG 57 + HG3 ARG 81 OK 61 83 - 73 - 3303=6, 3.0/3327=6...(51) HB2 ARG 57 + HG2 ARG 81 OK 61 83 - 73 - 3303=6, 3.0/3327=6...(51) HB ILE 63 + HG3 ARG 81 OK 55 96 - 58 - 4115/2.9=5, 2.1/7440=5...(32) HB ILE 63 + HG2 ARG 81 OK 55 96 - 58 - 4115/2.9=5, 2.1/7440=5...(32) HB2 GLU 56 - HG2 ARG 81 OK 36 96 - 37 - 4115/2.9=3, 4125=3...(19) HB2 GLU 56 - HG3 ARG 81 OK 36 96 - 37 - 4115/2.9=3, 4125=3...(19) HB3 GLU 38 - HG2 ARG 81 lone 8 99 - 9 - HB3 GLU 38 - HG3 ARG 81 lone 8 99 - 9 - HG3 PRO 60 - HG3 ARG 81 lone 8 99 - 8 - HG3 PRO 60 - HG2 ARG 81 lone 8 99 - 8 - HG3 PRO 37 - HG2 ARG 81 lone 8 100 - 8 - HG3 PRO 37 - HG3 ARG 81 lone 8 100 - 8 - HG3 PRO 70 - HG2 ARG 81 lone 6 97 - 6 - HG3 PRO 70 - HG3 ARG 81 lone 6 97 - 6 - HG2 GLU 64 - HG3 ARG 81 lone 4 83 - 5 - HG2 GLU 64 - HG2 ARG 81 lone 4 83 - 5 - HB2 LEU 114 - HG2 ARG 81 lone 3 57 - 5 - HB2 LEU 114 - HG3 ARG 81 lone 3 57 - 5 - HB2 GLN 105 - HG2 ARG 81 lone 2 71 - 3 - HB2 GLN 105 - HG3 ARG 81 lone 2 71 - 3 - HB2 GLN 16 - HG3 ARG 81 lone 2 65 - 3 - HB2 GLN 16 - HG2 ARG 81 lone 2 65 - 3 - HB3 GLN 16 - HG2 ARG 81 lone 2 63 - 3 - HB3 GLN 16 - HG3 ARG 81 lone 2 63 - 3 - Peak 4140 from cnoeabs.peaks (1.58, 1.58, 29.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 HG2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 Reference assignment not found: HG2 ARG 81 - HG3 ARG 81 Peak 4141 from cnoeabs.peaks (1.58, 1.58, 29.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 HG2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 Peak 4142 from cnoeabs.peaks (3.20, 1.58, 29.66 ppm; 4.14 A): 2 out of 14 assignments used, quality = 1.00: HD2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 3.0=100 * HD2 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 3.0=100 HD3 ARG 71 - HG2 ARG 81 OK 42 92 - 46 - 4158/3.0=5, 4118/2.9=4...(23) HD3 ARG 71 - HG3 ARG 81 OK 42 92 - 46 - 4158/3.0=5, 4118/2.9=4...(23) HD2 ARG 71 - HG2 ARG 81 OK 38 83 - 46 - 4158/3.0=4, 4118/2.9=4...(23) HD2 ARG 71 - HG3 ARG 81 OK 38 83 - 46 - 4158/3.0=4, 4118/2.9=4...(23) HB3 PHE 83 - HG2 ARG 81 OK 31 99 - 32 - 4118/2.9=4, 4110/4.0=4...(12) HB3 PHE 83 - HG3 ARG 81 OK 31 99 - 32 - 4118/2.9=4, 4110/4.0=4...(12) HA GLN 42 - HG2 ARG 81 OK 18 96 - 18 - 8565/4.0=3, 4158/3.0=2...(10) HA GLN 42 - HG3 ARG 81 OK 18 96 - 18 - 8565/4.0=3, 4158/3.0=2...(10) HD2 ARG 53 - HG2 ARG 81 OK 11 71 - 15 - ~8539=1, 4118/2.9=1 HD2 ARG 53 - HG3 ARG 81 OK 11 71 - 15 - ~8539=1, 4118/2.9=1 HB3 TRP 20 - HG3 ARG 81 lone 4 76 - 5 - HB3 TRP 20 - HG2 ARG 81 lone 4 76 - 5 - Peak 4143 from cnoeabs.peaks (3.13, 1.58, 29.66 ppm; 4.41 A): 6 out of 18 assignments used, quality = 1.00: HD3 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 3.0=100 * HD3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 3.0=100 HD3 ARG 57 + HG2 ARG 81 OK 82 99 - 83 - 3343=9, 3343/1.8=9...(46) HD3 ARG 57 + HG3 ARG 81 OK 82 99 - 83 - 3343=9, 3343/1.8=9...(46) HB2 PHE 107 + HG2 ARG 81 OK 45 85 - 54 - 4833/4.0=6, ~8564=5...(22) HB2 PHE 107 + HG3 ARG 81 OK 45 85 - 54 - 4833/4.0=6, ~8564=5...(22) HD2 ARG 92 - HG2 ARG 81 OK 19 87 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HD2 ARG 92 - HG3 ARG 81 OK 19 87 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HD3 ARG 92 - HG3 ARG 81 OK 19 85 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HD3 ARG 92 - HG2 ARG 81 OK 19 85 - 22 - 4119/2.9=2, 4152/4.9=2...(10) HB3 CYS 52 - HG3 ARG 81 OK 13 93 - 13 - ~3116=1, 8286/1.8=1, 8286=1 HB3 CYS 52 - HG2 ARG 81 OK 13 93 - 13 - ~3116=1, 8286/1.8=1, 8286=1 HB3 ASP 100 - HG3 ARG 81 lone 6 93 - 7 - HB3 ASP 100 - HG2 ARG 81 lone 6 93 - 7 - HB3 CYS 76 - HG3 ARG 81 lone 6 90 - 7 - HB3 CYS 76 - HG2 ARG 81 lone 6 90 - 7 - HB2 HIS 10 - HG3 ARG 81 lone 2 78 - 2 - HB2 HIS 10 - HG2 ARG 81 lone 2 78 - 2 - Peak 4144 from cnoeabs.peaks (9.06, 3.20, 43.31 ppm; 4.71 A): 3 out of 4 assignments used, quality = 0.95: * H ARG 81 + HD2 ARG 81 OK 92 100 - 92 - 5.9=51, 4152/1.8=30...(14) H ARG 81 + HD3 ARG 71 OK 20 56 - 36 - 1168=6, 2.9/4110=5...(14) H ARG 81 + HD2 ARG 71 OK 17 48 - 35 - 1168=5, 1168/1.8=5...(14) H ARG 81 - HD2 ARG 53 lone 6 57 - 10 - 1168=1, 4.0/4118=1...(4) Peak 4145 from cnoeabs.peaks (3.99, 3.20, 43.31 ppm; 4.52 A): 2 out of 20 assignments used, quality = 0.99: * HA ARG 81 + HD2 ARG 81 OK 99 100 - 99 - 4.7=92, 2.9/4144=21...(18) HA PHE 107 + HD2 ARG 81 OK 52 93 - 56 - 3.7/4813=8, 4153/1.8=8...(21) HA THR 62 - HD2 ARG 81 OK 35 100 - 35 - 4113/3.5=6, 4153/1.8=5...(12) HA ARG 81 - HD3 ARG 71 OK 24 56 - 43 - 4110=6, 3.0/4118=5...(17) HA ARG 81 - HD2 ARG 71 OK 21 48 - 43 - 4110=6, 4110/1.8=5...(17) HA LEU 117 - HD2 ARG 81 OK 14 100 - 14 - 4113/3.5=3, 4153/1.8=2...(6) HA PHE 107 - HD2 ARG 53 OK 13 49 - 26 - ~5618=6, ~5617=5...(9) HA THR 62 - HD2 ARG 53 OK 10 57 - 18 - ~6970=6, ~7115=2...(8) HA ARG 81 - HD2 ARG 53 poor 6 57 - 11 - 4110=1, 2.9/4144=1...(4) HA PHE 107 - HD3 ARG 71 lone 4 47 - 9 - 3.7/4813=3, 5.6/7825=2 HA ALA 14 - HD2 ARG 81 lone 4 60 - 7 - HA PHE 107 - HD2 ARG 71 lone 4 41 - 9 - 3.7/4813=3, 5.6/4784=2 HA LEU 117 - HD3 ARG 71 lone 2 55 - 4 - HA LEU 117 - HD2 ARG 71 lone 2 47 - 4 - HA THR 62 - HD3 ARG 71 lone 2 56 - 3 - HA THR 62 - HD2 ARG 71 lone 1 48 - 3 - HA ALA 14 - HD2 ARG 53 lone 1 28 - 4 - 4.9/8690=3 HA LEU 117 - HD2 ARG 53 lone 1 56 - 2 - HA ALA 14 - HD3 ARG 71 lone 1 27 - 2 - HA ALA 14 - HD2 ARG 71 lone 0 23 - 2 - Peak 4146 from cnoeabs.peaks (1.91, 3.20, 43.31 ppm; 3.48 A): 1 out of 68 assignments used, quality = 0.99: * HB2 ARG 81 + HD2 ARG 81 OK 99 100 - 99 - 3.5=98, 4154/1.8=12...(8) HB2 LEU 84 - HD2 ARG 81 OK 34 100 - 35 - 6135/4.7=5, 4154/1.8=4...(14) HB ILE 80 - HD2 ARG 81 OK 29 93 - 32 - 4.4/4144=9, 3.0/6129=4...(10) HG LEU 84 - HD2 ARG 81 OK 26 83 - 31 - 7492/4.7=4, 4154/1.8=3...(18) HB3 GLU 73 - HD2 ARG 81 OK 26 100 - 26 - 4118=4, 4154/1.8=3...(13) HB2 ARG 81 - HD3 ARG 71 OK 20 56 - 37 - 4118=5, 4118/1.8=4...(18) HB2 ARG 81 - HD2 ARG 71 OK 18 48 - 37 - 4118=4, 4118/1.8=4...(19) HB VAL 50 - HD2 ARG 53 OK 11 37 - 30 - ~6970=7, ~6916=7...(8) HB2 GLU 28 - HD2 ARG 81 lone 7 100 - 7 - HB3 GLU 73 - HD2 ARG 53 poor 6 57 - 11 - ~6973=2, ~6082=1, 4118=1 HB2 ARG 81 - HD2 ARG 53 poor 6 57 - 10 - 4118=1 HB ILE 22 - HD2 ARG 81 lone 6 100 - 5 - HG LEU 55 - HD2 ARG 53 poor 6 35 - 16 - ~7004=3, ~6971=2...(6) HB2 LYS 119 - HD2 ARG 81 lone 5 76 - 7 - HB2 LEU 21 - HD2 ARG 53 poor 5 44 - 10 - ~8290=3, ~8288=2...(4) HB3 LYS 31 - HD3 ARG 71 poor 4 36 - 12 - 1.8/3861=2, 2417/3.6=2...(4) HB3 LYS 31 - HD2 ARG 53 poor 4 37 - 10 - 1.8/3861=2, ~3171=1 HB3 LYS 31 - HD2 ARG 71 poor 4 30 - 12 - 1.8/3860=2, 2417/3.6=2...(4) HG LEU 55 - HD2 ARG 81 lone 4 73 - 5 - HB2 LEU 21 - HD2 ARG 81 lone 3 87 - 4 - HB ILE 22 - HD2 ARG 53 lone 3 57 - 6 - HB3 GLU 64 - HD2 ARG 81 lone 3 65 - 5 - HB2 GLU 64 - HD2 ARG 81 lone 3 60 - 4 - HB ILE 80 - HD3 ARG 71 lone 2 47 - 5 - 4.4/4144=2 HB VAL 50 - HD2 ARG 81 lone 2 76 - 3 - HB3 MET 11 - HD2 ARG 81 lone 2 99 - 2 - HB ILE 80 - HD2 ARG 53 lone 2 49 - 4 - HB3 LYS 31 - HD2 ARG 81 lone 2 76 - 2 - HB ILE 80 - HD2 ARG 71 lone 2 41 - 5 - 4.4/4144=2 HB2 LEU 84 - HD3 ARG 71 lone 2 55 - 3 - HG LEU 58 - HD2 ARG 81 lone 1 73 - 2 - HB2 LEU 84 - HD2 ARG 71 lone 1 47 - 3 - HG LEU 55 - HD3 ARG 71 lone 1 34 - 4 - HB3 GLU 73 - HD3 ARG 71 lone 1 55 - 2 - HB2 LYS 109 - HD2 ARG 81 lone 1 60 - 2 - HG LEU 55 - HD2 ARG 71 lone 1 29 - 3 - HG LEU 84 - HD3 ARG 71 lone 1 40 - 2 - HB2 LEU 84 - HD2 ARG 53 lone 1 56 - 2 - HB3 GLU 73 - HD2 ARG 71 lone 1 48 - 2 - HG LEU 84 - HD2 ARG 71 lone 1 34 - 2 - HB ILE 22 - HD3 ARG 71 lone 1 56 - 1 - HB2 LEU 21 - HD2 ARG 71 lone 1 37 - 2 - HB2 LYS 109 - HD3 ARG 71 lone 1 27 - 3 - HB ILE 22 - HD2 ARG 71 lone 1 48 - 1 - HB2 LYS 109 - HD2 ARG 71 lone 1 23 - 3 - HG LEU 84 - HD2 ARG 53 lone 1 41 - 1 - HG LEU 58 - HD2 ARG 53 lone 1 35 - 2 - HB3 MET 11 - HD3 ARG 71 lone 1 53 - 1 - HB2 LEU 21 - HD3 ARG 71 lone 1 43 - 1 - HB2 LYS 119 - HD2 ARG 53 lone 1 37 - 1 - HB3 MET 11 - HD2 ARG 71 lone 0 46 - 1 - HB2 GLU 28 - HD3 ARG 71 lone 0 55 - 1 - HB2 GLU 28 - HD2 ARG 53 lone 0 57 - 1 - HB2 GLU 28 - HD2 ARG 71 lone 0 48 - 1 - HB2 LYS 119 - HD3 ARG 71 lone 0 36 - 1 - HB VAL 50 - HD3 ARG 71 lone 0 36 - 1 - HB3 MET 11 - HD2 ARG 53 lone 0 55 - 1 - HB2 LYS 119 - HD2 ARG 71 lone 0 30 - 1 - HB VAL 50 - HD2 ARG 71 lone 0 30 - 1 - HG LEU 58 - HD3 ARG 71 lone 0 34 - 1 - HB3 GLU 64 - HD2 ARG 53 lone 0 31 - 1 - HB2 LYS 109 - HD2 ARG 53 lone 0 28 - 1 - HG LEU 58 - HD2 ARG 71 lone 0 29 - 1 - HB2 GLU 64 - HD2 ARG 53 lone 0 28 - 1 - HB3 GLU 64 - HD3 ARG 71 lone 0 30 - 1 - HB2 GLU 64 - HD3 ARG 71 lone 0 27 - 1 - HB3 GLU 64 - HD2 ARG 71 lone 0 25 - 1 - HB2 GLU 64 - HD2 ARG 71 lone 0 23 - 1 - Peak 4147 from cnoeabs.peaks (2.05, 3.20, 43.31 ppm; 3.96 A): 3 out of 52 assignments used, quality = 1.00: * HB3 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.5=100 HB2 ARG 57 + HD2 ARG 81 OK 54 83 - 66 - 4155/1.8=6, ~3330=5...(41) HB ILE 63 + HD2 ARG 81 OK 49 96 - 52 - 3.2/8647=6, 4155/1.8=5...(27) HB2 GLU 56 - HD2 ARG 81 OK 33 96 - 34 - 4155/1.8=3, 4126=3...(15) HB3 ARG 81 - HD3 ARG 71 OK 26 56 - 46 - 1.8/4118=5, 4126=4...(22) HB ILE 63 - HD2 ARG 53 OK 23 51 - 44 - 3.2/8647=5, ~7144=4...(23) HB3 ARG 81 - HD2 ARG 71 OK 22 48 - 46 - 1.8/4118=5, 4126/1.8=4...(21) HB3 GLU 38 - HD2 ARG 81 OK 11 99 - 11 - ~6720=2, 4155/1.8=1, 6727/2.9=1 HB3 ARG 81 - HD2 ARG 53 poor 8 57 - 14 - 1.8/4118=1, 4126=1 HB2 GLU 56 - HD2 ARG 53 poor 8 51 - 16 - 6066/5.3=3, ~8430=2...(8) HG3 PRO 60 - HD2 ARG 53 poor 8 56 - 14 - 6066/5.3=1, ~3172=1 HG3 PRO 60 - HD2 ARG 81 lone 7 99 - 7 - HG3 PRO 37 - HD2 ARG 81 lone 7 100 - 7 - HG3 PRO 70 - HD2 ARG 81 lone 7 97 - 7 - HB2 ARG 57 - HD2 ARG 53 poor 7 41 - 16 - ~3174=2, ~3314=1 HG3 PRO 37 - HD2 ARG 53 poor 7 57 - 12 - ~6973=3, 6066/5.3=2, ~8447=1 HG3 PRO 70 - HD3 ARG 71 poor 6 51 - 13 - 5700/6.2=10, ~7256=1, 3.8/3887=1 HG3 PRO 70 - HD2 ARG 71 poor 5 44 - 12 - 5700/6.2=10, ~7256=1 HG3 PRO 60 - HD3 ARG 71 lone 5 54 - 9 - 331/6.2=3, 3473/4.7=2 HG2 GLU 64 - HD2 ARG 81 lone 4 83 - 5 - HG3 PRO 60 - HD2 ARG 71 lone 4 47 - 9 - 331/6.2=3, 3473/4.7=2 HG3 PRO 70 - HD2 ARG 53 lone 4 52 - 7 - HB2 LEU 114 - HD2 ARG 81 lone 3 57 - 5 - HB ILE 63 - HD3 ARG 71 lone 2 50 - 5 - HB2 GLU 56 - HD3 ARG 71 lone 2 50 - 4 - 331/6.2=1 HB2 GLN 105 - HD2 ARG 81 lone 2 71 - 3 - HB2 GLN 16 - HD2 ARG 81 lone 2 65 - 3 - HB3 GLN 16 - HD2 ARG 81 lone 2 63 - 3 - HB3 GLU 38 - HD2 ARG 53 lone 2 55 - 3 - HB ILE 63 - HD2 ARG 71 lone 2 43 - 4 - HB2 GLU 56 - HD2 ARG 71 lone 2 43 - 4 - 331/6.2=1 HG3 PRO 37 - HD3 ARG 71 lone 2 56 - 3 - 331/6.2=1 HB2 ARG 57 - HD3 ARG 71 lone 1 40 - 3 - HG3 PRO 37 - HD2 ARG 71 lone 1 48 - 3 - 331/6.2=1 HB3 GLU 38 - HD3 ARG 71 lone 1 53 - 2 - HB2 ARG 57 - HD2 ARG 71 lone 1 34 - 3 - HB2 GLN 105 - HD2 ARG 53 lone 1 34 - 3 - HB3 GLU 38 - HD2 ARG 71 lone 1 46 - 2 - HG2 GLU 64 - HD2 ARG 53 lone 1 41 - 1 - HB2 LEU 114 - HD3 ARG 71 lone 0 25 - 2 - HB2 GLN 16 - HD2 ARG 53 lone 0 31 - 1 - HB3 GLN 16 - HD2 ARG 53 lone 0 29 - 1 - HB2 LEU 114 - HD2 ARG 71 lone 0 22 - 2 - HB2 LEU 114 - HD2 ARG 53 lone 0 26 - 1 - HG2 GLU 64 - HD3 ARG 71 lone 0 40 - 1 - HG2 GLU 64 - HD2 ARG 71 lone 0 34 - 1 - HB2 GLN 105 - HD3 ARG 71 lone 0 33 - 1 - HB2 GLN 16 - HD3 ARG 71 lone 0 30 - 1 - HB3 GLN 16 - HD3 ARG 71 lone 0 28 - 1 - HB2 GLN 16 - HD2 ARG 71 lone 0 25 - 1 - HB2 GLN 105 - HD2 ARG 71 lone 0 28 - 1 - HB3 GLN 16 - HD2 ARG 71 lone 0 24 - 1 - Peak 4148 from cnoeabs.peaks (1.58, 3.20, 43.31 ppm; 3.62 A): 3 out of 40 assignments used, quality = 1.00: HG3 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.0=100 * HG2 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.0=100 HG2 ARG 57 + HD2 ARG 81 OK 53 100 - 53 - 3322/1.8=7, ~3330=6...(29) HG12 ILE 63 - HD2 ARG 81 OK 32 78 - 40 - 2.1/8647=6, 4157/1.8=3...(19) HG2 ARG 81 - HD3 ARG 71 OK 22 56 - 39 - 3.0/4158=4, 2.9/4118=3...(19) HG3 ARG 81 - HD3 ARG 71 OK 22 56 - 39 - 3.0/4158=4, 2.9/4118=3...(19) HG2 ARG 81 - HD2 ARG 71 OK 19 48 - 39 - 3.0/4158=4, 2.9/4118=3...(18) HG3 ARG 81 - HD2 ARG 71 OK 19 48 - 39 - 3.0/4158=4, 2.9/4118=3...(18) HG12 ILE 63 - HD2 ARG 53 OK 15 38 - 40 - 2.1/8647=5, ~3174=4...(20) HD2 LYS 119 - HD2 ARG 81 lone 8 90 - 9 - HD3 LYS 119 - HD2 ARG 81 lone 8 89 - 9 - HG2 ARG 57 - HD2 ARG 53 poor 8 57 - 14 - 3318/3.0=1, 3322/1.8=1 HG LEU 126 - HD2 ARG 53 poor 7 48 - 15 - ~6971=3, ~8543=1...(4) HB2 LEU 126 - HD2 ARG 53 poor 7 38 - 18 - ~6971=2, ~3173=2...(5) HB3 LEU 126 - HD2 ARG 53 poor 7 37 - 18 - ~6971=2, ~3173=2...(5) HG3 ARG 81 - HD2 ARG 53 poor 6 57 - 11 - HG2 ARG 81 - HD2 ARG 53 poor 6 57 - 11 - HB2 LEU 126 - HD2 ARG 81 lone 4 78 - 5 - HG LEU 126 - HD2 ARG 81 lone 4 92 - 4 - HB3 LEU 126 - HD2 ARG 81 lone 4 76 - 5 - HG12 ILE 124 - HD2 ARG 81 lone 2 63 - 3 - HG2 ARG 57 - HD3 ARG 71 lone 1 56 - 3 - HG12 ILE 63 - HD3 ARG 71 lone 1 37 - 4 - HG2 ARG 57 - HD2 ARG 71 lone 1 48 - 2 - HD2 LYS 119 - HD2 ARG 53 lone 1 47 - 2 - HD3 LYS 119 - HD2 ARG 53 lone 1 45 - 2 - HG12 ILE 63 - HD2 ARG 71 lone 1 32 - 3 - HG12 ILE 124 - HD2 ARG 53 lone 0 29 - 2 - HG LEU 126 - HD3 ARG 71 lone 0 46 - 1 - HD2 LYS 119 - HD3 ARG 71 lone 0 45 - 1 - HD3 LYS 119 - HD3 ARG 71 lone 0 44 - 1 - HG12 ILE 124 - HD3 ARG 71 lone 0 28 - 1 - HD2 LYS 119 - HD2 ARG 71 lone 0 39 - 1 - HB2 LEU 126 - HD3 ARG 71 lone 0 37 - 1 - HD3 LYS 119 - HD2 ARG 71 lone 0 38 - 1 - HB3 LEU 126 - HD3 ARG 71 lone 0 36 - 1 - HG12 ILE 124 - HD2 ARG 71 lone 0 24 - 1 - HG LEU 126 - HD2 ARG 71 lone 0 40 - 1 - HB2 LEU 126 - HD2 ARG 71 lone 0 32 - 1 - HB3 LEU 126 - HD2 ARG 71 lone 0 30 - 1 - Peak 4149 from cnoeabs.peaks (1.58, 3.20, 43.31 ppm; 3.62 A): 3 out of 40 assignments used, quality = 1.00: * HG3 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.0=100 HG2 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.0=100 HG2 ARG 57 + HD2 ARG 81 OK 53 100 - 53 - 3322/1.8=7, ~3330=6...(29) HG12 ILE 63 - HD2 ARG 81 OK 32 78 - 40 - 2.1/8647=6, 4157/1.8=3...(19) HG2 ARG 81 - HD3 ARG 71 OK 22 56 - 39 - 3.0/4158=4, 2.9/4118=3...(19) HG3 ARG 81 - HD3 ARG 71 OK 22 56 - 39 - 3.0/4158=4, 2.9/4118=3...(19) HG2 ARG 81 - HD2 ARG 71 OK 19 48 - 39 - 3.0/4158=4, 2.9/4118=3...(18) HG3 ARG 81 - HD2 ARG 71 OK 19 48 - 39 - 3.0/4158=4, 2.9/4118=3...(18) HG12 ILE 63 - HD2 ARG 53 OK 15 38 - 40 - 2.1/8647=5, ~3174=4...(20) HD2 LYS 119 - HD2 ARG 81 lone 8 90 - 9 - HD3 LYS 119 - HD2 ARG 81 lone 8 89 - 9 - HG2 ARG 57 - HD2 ARG 53 poor 8 57 - 14 - 3318/3.0=1, 3322/1.8=1 HG LEU 126 - HD2 ARG 53 poor 7 48 - 15 - ~6971=3, ~8543=1...(4) HB2 LEU 126 - HD2 ARG 53 poor 7 38 - 18 - ~6971=2, ~3173=2...(5) HB3 LEU 126 - HD2 ARG 53 poor 7 37 - 18 - ~6971=2, ~3173=2...(5) HG3 ARG 81 - HD2 ARG 53 poor 6 57 - 11 - HG2 ARG 81 - HD2 ARG 53 poor 6 57 - 11 - HB2 LEU 126 - HD2 ARG 81 lone 4 78 - 5 - HG LEU 126 - HD2 ARG 81 lone 4 92 - 4 - HB3 LEU 126 - HD2 ARG 81 lone 4 76 - 5 - HG12 ILE 124 - HD2 ARG 81 lone 2 63 - 3 - HG2 ARG 57 - HD3 ARG 71 lone 1 56 - 3 - HG12 ILE 63 - HD3 ARG 71 lone 1 37 - 4 - HG2 ARG 57 - HD2 ARG 71 lone 1 48 - 2 - HD2 LYS 119 - HD2 ARG 53 lone 1 47 - 2 - HD3 LYS 119 - HD2 ARG 53 lone 1 45 - 2 - HG12 ILE 63 - HD2 ARG 71 lone 1 32 - 3 - HG12 ILE 124 - HD2 ARG 53 lone 0 29 - 2 - HG LEU 126 - HD3 ARG 71 lone 0 46 - 1 - HD2 LYS 119 - HD3 ARG 71 lone 0 45 - 1 - HD3 LYS 119 - HD3 ARG 71 lone 0 44 - 1 - HG12 ILE 124 - HD3 ARG 71 lone 0 28 - 1 - HD2 LYS 119 - HD2 ARG 71 lone 0 39 - 1 - HB2 LEU 126 - HD3 ARG 71 lone 0 37 - 1 - HD3 LYS 119 - HD2 ARG 71 lone 0 38 - 1 - HB3 LEU 126 - HD3 ARG 71 lone 0 36 - 1 - HG12 ILE 124 - HD2 ARG 71 lone 0 24 - 1 - HG LEU 126 - HD2 ARG 71 lone 0 40 - 1 - HB2 LEU 126 - HD2 ARG 71 lone 0 32 - 1 - HB3 LEU 126 - HD2 ARG 71 lone 0 30 - 1 - Peak 4150 from cnoeabs.peaks (3.20, 3.20, 43.31 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 81 + HD2 ARG 81 OK 100 100 - 100 HD3 ARG 71 + HD3 ARG 71 OK 46 46 - 100 HD2 ARG 71 - HD2 ARG 71 OK 34 34 - 100 HD2 ARG 53 - HD2 ARG 53 OK 34 34 - 100 Peak 4151 from cnoeabs.peaks (3.13, 3.20, 43.31 ppm; 2.43 A): 1 out of 36 assignments used, quality = 1.00: * HD3 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 1.8=100 HD3 ARG 57 - HD2 ARG 81 OK 26 99 - 26 - ~3338=3, 3343/3.0=2...(12) HB2 PHE 107 - HD2 ARG 81 OK 18 85 - 21 - 2.4/4813=3, 4833/2.9=2...(10) HD3 ARG 81 - HD3 ARG 71 OK 12 56 - 22 - 4158=5, 4158/1.8=3...(5) HD3 ARG 81 - HD2 ARG 71 OK 11 48 - 22 - 4158=5, 4158/1.8=3...(6) HD2 ARG 92 - HD2 ARG 81 lone 6 87 - 7 - 4158=1 HD3 ARG 92 - HD2 ARG 81 lone 6 85 - 7 - 4158=1 HB3 CYS 52 - HD2 ARG 53 lone 4 49 - 9 - 4.4/1015=2, ~3116=1, ~8429=1 HD2 ARG 92 - HD2 ARG 53 lone 3 44 - 7 - HD3 ARG 81 - HD2 ARG 53 lone 3 57 - 5 - 4158=1 HB3 CYS 52 - HD2 ARG 81 lone 3 93 - 3 - HD3 ARG 92 - HD2 ARG 53 lone 3 43 - 7 - HB2 HIS 10 - HD2 ARG 53 lone 2 38 - 6 - 1828/1.8=3, ~1824=1 HD3 ARG 57 - HD2 ARG 53 lone 2 56 - 4 - HB2 PHE 107 - HD2 ARG 53 lone 2 43 - 4 - HB3 CYS 76 - HD2 ARG 81 lone 2 90 - 2 - HB3 ASP 100 - HD2 ARG 81 lone 1 93 - 2 - HB2 PHE 107 - HD3 ARG 71 lone 1 41 - 3 - 2.4/4813=1 HB2 PHE 107 - HD2 ARG 71 lone 1 35 - 4 - HD3 ARG 57 - HD3 ARG 71 lone 1 54 - 1 - HD3 ARG 57 - HD2 ARG 71 lone 1 47 - 1 - HB3 ASP 100 - HD2 ARG 53 lone 0 49 - 1 - HB3 CYS 52 - HD3 ARG 71 lone 0 47 - 1 - HB3 CYS 76 - HD2 ARG 53 lone 0 47 - 1 - HB2 HIS 10 - HD2 ARG 81 lone 0 78 - 0 - HB3 ASP 100 - HD3 ARG 71 lone 0 47 - 0 - HD2 ARG 92 - HD3 ARG 71 lone 0 43 - 0 - HB3 ASP 100 - HD2 ARG 71 lone 0 41 - 0 - HD3 ARG 92 - HD3 ARG 71 lone 0 41 - 0 - HB3 CYS 76 - HD3 ARG 71 lone 0 45 - 0 - HD2 ARG 92 - HD2 ARG 71 lone 0 37 - 0 - HD3 ARG 92 - HD2 ARG 71 lone 0 35 - 0 - HB3 CYS 76 - HD2 ARG 71 lone 0 39 - 0 - HB3 CYS 52 - HD2 ARG 71 lone 0 41 - 0 - HB2 HIS 10 - HD3 ARG 71 lone 0 37 - 0 - HB2 HIS 10 - HD2 ARG 71 lone 0 32 - 0 - Peak 4152 from cnoeabs.peaks (9.06, 3.13, 43.31 ppm; 4.96 A): 3 out of 3 assignments used, quality = 0.94: * H ARG 81 + HD3 ARG 81 OK 92 100 - 92 - 5.9=59, 4112/3.5=31...(10) H ARG 81 + HD2 ARG 92 OK 11 52 - 21 - 1169=4, 1169/1.8=3...(8) H ARG 81 + HD3 ARG 92 OK 10 50 - 20 - 1169=4, 1169/1.8=3...(8) Peak 4153 from cnoeabs.peaks (3.99, 3.13, 43.31 ppm; 4.99 A): 2 out of 15 assignments used, quality = 1.00: * HA ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 4.7=100 HA PHE 107 + HD3 ARG 81 OK 59 93 - 64 - 3.7/8564=10, 4826/2.9=8...(24) HA THR 62 - HD3 ARG 81 OK 39 100 - 39 - 4113/3.5=6, 4145/1.8=5...(12) HA LEU 117 - HD3 ARG 81 OK 16 100 - 16 - 4113/3.5=3, 4121/3.5=2...(6) HA ARG 81 - HD2 ARG 92 OK 13 52 - 25 - 4111=3, 2.9/4152=3...(13) HA ARG 81 - HD3 ARG 92 OK 13 50 - 25 - 4111=3, 2.9/4152=3...(12) HA ALA 14 - HD3 ARG 81 lone 4 60 - 7 - HA THR 62 - HD2 ARG 92 lone 1 51 - 2 - HA THR 62 - HD3 ARG 92 lone 1 50 - 2 - HA PHE 107 - HD2 ARG 92 lone 1 44 - 2 - HA PHE 107 - HD3 ARG 92 lone 1 42 - 2 - HA LEU 117 - HD2 ARG 92 lone 1 50 - 2 - HA LEU 117 - HD3 ARG 92 lone 1 49 - 2 - HA ALA 14 - HD2 ARG 92 lone 0 25 - 1 - HA ALA 14 - HD3 ARG 92 lone 0 24 - 1 - Peak 4154 from cnoeabs.peaks (1.91, 3.13, 43.31 ppm; 3.45 A): 1 out of 51 assignments used, quality = 0.97: * HB2 ARG 81 + HD3 ARG 81 OK 97 100 - 97 - 3.5=95, 4.0/4152=10...(7) HB2 LEU 84 - HD3 ARG 81 OK 30 100 - 30 - 6135/4.7=5, 4146/1.8=3...(13) HB ILE 80 - HD3 ARG 81 OK 28 93 - 30 - 4.4/4152=10, ~6129=3...(10) HB3 GLU 73 - HD3 ARG 81 OK 26 100 - 26 - 4119=3, 4118/1.8=3...(13) HG LEU 84 - HD3 ARG 81 OK 23 83 - 28 - 7492/4.7=4, 4146/1.8=2...(17) HB2 ARG 81 - HD2 ARG 92 poor 8 52 - 15 - 4119=2, 4119/1.8=1...(5) HB2 ARG 81 - HD3 ARG 92 poor 8 50 - 15 - 4119=2, 4119/1.8=1...(5) HB2 GLU 28 - HD3 ARG 81 lone 6 100 - 6 - HB2 LYS 119 - HD3 ARG 81 lone 5 76 - 7 - HB ILE 22 - HD3 ARG 81 lone 5 100 - 5 - HG LEU 55 - HD3 ARG 81 lone 4 73 - 5 - HG LEU 55 - HD2 ARG 92 lone 3 31 - 10 - 8640/2.9=2, ~7004=2...(5) HG LEU 55 - HD3 ARG 92 lone 3 30 - 10 - 8640/2.9=2, ~7004=2...(5) HB2 LEU 21 - HD3 ARG 81 lone 3 87 - 3 - HB3 GLU 64 - HD3 ARG 81 lone 3 65 - 4 - HB2 GLU 64 - HD3 ARG 81 lone 2 60 - 4 - HB3 MET 11 - HD3 ARG 81 lone 2 99 - 2 - HB VAL 50 - HD3 ARG 81 lone 2 76 - 3 - HB2 LEU 84 - HD2 ARG 92 lone 2 50 - 4 - HB2 LEU 84 - HD3 ARG 92 lone 2 49 - 4 - HB3 LYS 31 - HD3 ARG 81 lone 2 76 - 3 - HG LEU 58 - HD2 ARG 92 lone 2 31 - 7 - HG LEU 58 - HD3 ARG 92 lone 2 30 - 7 - HG LEU 84 - HD2 ARG 92 lone 2 37 - 5 - 7476/2.9=1, ~7479=1 HG LEU 84 - HD3 ARG 92 lone 2 35 - 5 - 7476/2.9=1, ~7479=1 HB2 GLU 28 - HD2 ARG 92 lone 1 51 - 3 - HB2 GLU 28 - HD3 ARG 92 lone 1 49 - 3 - HG LEU 58 - HD3 ARG 81 lone 1 73 - 2 - HB ILE 80 - HD2 ARG 92 lone 1 44 - 3 - 4.4/4152=1 HB ILE 80 - HD3 ARG 92 lone 1 42 - 2 - 4.4/4152=1 HB2 LYS 109 - HD3 ARG 81 lone 1 60 - 2 - HB3 GLU 73 - HD2 ARG 92 lone 1 51 - 1 - HB3 GLU 73 - HD3 ARG 92 lone 1 50 - 1 - HB2 LYS 109 - HD2 ARG 92 lone 0 25 - 2 - HB2 LYS 109 - HD3 ARG 92 lone 0 24 - 2 - HB ILE 22 - HD2 ARG 92 lone 0 51 - 1 - HB ILE 22 - HD3 ARG 92 lone 0 50 - 1 - HB2 LYS 119 - HD2 ARG 92 lone 0 33 - 1 - HB3 MET 11 - HD2 ARG 92 lone 0 49 - 1 - HB2 LYS 119 - HD3 ARG 92 lone 0 32 - 1 - HB3 MET 11 - HD3 ARG 92 lone 0 47 - 1 - HB3 LYS 31 - HD2 ARG 92 lone 0 33 - 1 - HB3 LYS 31 - HD3 ARG 92 lone 0 32 - 1 - HB2 LEU 21 - HD2 ARG 92 lone 0 39 - 1 - HB2 LEU 21 - HD3 ARG 92 lone 0 38 - 1 - HB VAL 50 - HD2 ARG 92 lone 0 33 - 1 - HB VAL 50 - HD3 ARG 92 lone 0 32 - 1 - HB3 GLU 64 - HD2 ARG 92 lone 0 27 - 0 - HB3 GLU 64 - HD3 ARG 92 lone 0 26 - 0 - HB2 GLU 64 - HD2 ARG 92 lone 0 25 - 0 - HB2 GLU 64 - HD3 ARG 92 lone 0 24 - 0 - Peak 4155 from cnoeabs.peaks (2.05, 3.13, 43.31 ppm; 4.11 A): 3 out of 39 assignments used, quality = 1.00: * HB3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.5=100 HB2 ARG 57 + HD3 ARG 81 OK 60 83 - 73 - 3.0/3330=8, 3.5/3338=7...(42) HB ILE 63 + HD3 ARG 81 OK 51 96 - 54 - ~8647=5, 4115/3.5=5...(33) HB2 GLU 56 - HD3 ARG 81 OK 34 96 - 36 - 4.6/1044=3, 4126/1.8=3...(17) HB3 GLU 38 - HD3 ARG 81 OK 13 99 - 13 - ~6720=2, 6727/2.9=1...(5) HB3 ARG 81 - HD2 ARG 92 OK 12 52 - 22 - 1.8/4119=2, 4127=2...(8) HB3 ARG 81 - HD3 ARG 92 OK 11 50 - 22 - 1.8/4119=2, 4127=2...(8) HG3 PRO 60 - HD3 ARG 81 lone 9 99 - 9 - HG3 PRO 37 - HD3 ARG 81 lone 8 100 - 8 - HB2 ARG 57 - HD2 ARG 92 poor 8 37 - 21 - 1.8/3314=2, 3.0/3330=1...(10) HB2 ARG 57 - HD3 ARG 92 poor 8 35 - 21 - 1.8/3314=2, 3.0/3330=1...(9) HG3 PRO 70 - HD3 ARG 81 lone 7 97 - 7 - HB2 GLU 56 - HD2 ARG 92 poor 5 46 - 11 - HB2 GLU 56 - HD3 ARG 92 poor 5 44 - 11 - HG2 GLU 64 - HD3 ARG 81 lone 5 83 - 6 - HB2 GLN 105 - HD3 ARG 81 lone 3 71 - 5 - 4.1/7786=1 HB2 LEU 114 - HD3 ARG 81 lone 3 57 - 5 - HB2 LEU 114 - HD2 ARG 92 poor 3 23 - 12 - 5066/3.0=1, 5066/3.0=1...(5) HB2 LEU 114 - HD3 ARG 92 poor 3 22 - 12 - 5066/3.0=1, 5066/3.0=1...(5) HB2 GLN 16 - HD3 ARG 81 lone 2 65 - 4 - HB3 GLN 16 - HD3 ARG 81 lone 2 63 - 4 - HB ILE 63 - HD2 ARG 92 lone 2 46 - 4 - HB ILE 63 - HD3 ARG 92 lone 2 44 - 4 - HG3 PRO 60 - HD2 ARG 92 lone 1 50 - 2 - HG3 PRO 60 - HD3 ARG 92 lone 1 48 - 2 - HG3 PRO 37 - HD2 ARG 92 lone 1 51 - 2 - HG3 PRO 37 - HD3 ARG 92 lone 1 50 - 2 - HB3 GLU 38 - HD2 ARG 92 lone 1 49 - 1 - HB3 GLU 38 - HD3 ARG 92 lone 1 47 - 1 - HB2 GLN 105 - HD2 ARG 92 lone 1 30 - 2 - HB2 GLN 105 - HD3 ARG 92 lone 1 29 - 2 - HG3 PRO 70 - HD2 ARG 92 lone 0 47 - 1 - HG3 PRO 70 - HD3 ARG 92 lone 0 45 - 1 - HG2 GLU 64 - HD2 ARG 92 lone 0 37 - 1 - HG2 GLU 64 - HD3 ARG 92 lone 0 35 - 1 - HB2 GLN 16 - HD2 ARG 92 lone 0 27 - 1 - HB2 GLN 16 - HD3 ARG 92 lone 0 26 - 1 - HB3 GLN 16 - HD2 ARG 92 lone 0 26 - 1 - HB3 GLN 16 - HD3 ARG 92 lone 0 25 - 1 - Peak 4156 from cnoeabs.peaks (1.58, 3.13, 43.31 ppm; 3.74 A): 3 out of 30 assignments used, quality = 1.00: HG3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.0=100 * HG2 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.0=100 HG2 ARG 57 + HD3 ARG 81 OK 64 100 - 64 - 3322=9, 1.8/3330=9...(33) HG12 ILE 63 - HD3 ARG 81 OK 33 78 - 42 - ~8647=5, 3.0/4155=4...(26) HD2 LYS 119 - HD3 ARG 81 poor 10 90 - 11 - HD3 LYS 119 - HD3 ARG 81 poor 10 89 - 11 - HG2 ARG 57 - HD2 ARG 92 poor 9 52 - 18 - 3322=2, 1.8/3330=2...(6) HG2 ARG 57 - HD3 ARG 92 poor 9 50 - 18 - 3322=2, 1.8/3330=2...(6) HG3 ARG 81 - HD2 ARG 92 poor 9 52 - 17 - 2.9/4119=1, 4.9/4152=1...(6) HG2 ARG 81 - HD2 ARG 92 poor 9 52 - 17 - 2.9/4119=1, 4.9/4152=1...(6) HG3 ARG 81 - HD3 ARG 92 poor 8 50 - 17 - 2.9/4119=1, 4.9/4152=1...(5) HG2 ARG 81 - HD3 ARG 92 poor 8 50 - 17 - 2.9/4119=1, 4.9/4152=1...(5) HG LEU 126 - HD3 ARG 81 lone 5 92 - 6 - HB2 LEU 126 - HD3 ARG 81 lone 5 78 - 6 - HB3 LEU 126 - HD3 ARG 81 lone 5 76 - 6 - HG12 ILE 124 - HD3 ARG 81 lone 2 63 - 3 - HG12 ILE 63 - HD2 ARG 92 lone 2 34 - 5 - ~7131=1 HG12 ILE 63 - HD3 ARG 92 lone 1 33 - 4 - ~7131=1 HB2 LEU 126 - HD2 ARG 92 lone 1 34 - 4 - HB2 LEU 126 - HD3 ARG 92 lone 1 33 - 4 - HB3 LEU 126 - HD2 ARG 92 lone 1 33 - 4 - HB3 LEU 126 - HD3 ARG 92 lone 1 32 - 4 - HG LEU 126 - HD2 ARG 92 lone 1 43 - 2 - HG LEU 126 - HD3 ARG 92 lone 1 41 - 2 - HD2 LYS 119 - HD2 ARG 92 lone 0 41 - 1 - HD3 LYS 119 - HD2 ARG 92 lone 0 40 - 1 - HD2 LYS 119 - HD3 ARG 92 lone 0 40 - 1 - HD3 LYS 119 - HD3 ARG 92 lone 0 39 - 1 - HG12 ILE 124 - HD2 ARG 92 lone 0 26 - 1 - HG12 ILE 124 - HD3 ARG 92 lone 0 25 - 1 - Peak 4157 from cnoeabs.peaks (1.58, 3.13, 43.31 ppm; 3.74 A): 3 out of 30 assignments used, quality = 1.00: * HG3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.0=100 HG2 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.0=100 HG2 ARG 57 + HD3 ARG 81 OK 64 100 - 64 - 3322=9, 1.8/3330=9...(33) HG12 ILE 63 - HD3 ARG 81 OK 33 78 - 42 - ~8647=5, 3.0/4155=4...(26) HD2 LYS 119 - HD3 ARG 81 poor 10 90 - 11 - HD3 LYS 119 - HD3 ARG 81 poor 10 89 - 11 - HG2 ARG 57 - HD2 ARG 92 poor 9 52 - 18 - 3322=2, 1.8/3330=2...(6) HG2 ARG 57 - HD3 ARG 92 poor 9 50 - 18 - 3322=2, 1.8/3330=2...(6) HG3 ARG 81 - HD2 ARG 92 poor 9 52 - 17 - 2.9/4119=1, 4.9/4152=1...(6) HG2 ARG 81 - HD2 ARG 92 poor 9 52 - 17 - 2.9/4119=1, 4.9/4152=1...(6) HG3 ARG 81 - HD3 ARG 92 poor 8 50 - 17 - 2.9/4119=1, 4.9/4152=1...(5) HG2 ARG 81 - HD3 ARG 92 poor 8 50 - 17 - 2.9/4119=1, 4.9/4152=1...(5) HG LEU 126 - HD3 ARG 81 lone 5 92 - 6 - HB2 LEU 126 - HD3 ARG 81 lone 5 78 - 6 - HB3 LEU 126 - HD3 ARG 81 lone 5 76 - 6 - HG12 ILE 124 - HD3 ARG 81 lone 2 63 - 3 - HG12 ILE 63 - HD2 ARG 92 lone 2 34 - 5 - ~7131=1 HG12 ILE 63 - HD3 ARG 92 lone 1 33 - 4 - ~7131=1 HB2 LEU 126 - HD2 ARG 92 lone 1 34 - 4 - HB2 LEU 126 - HD3 ARG 92 lone 1 33 - 4 - HB3 LEU 126 - HD2 ARG 92 lone 1 33 - 4 - HB3 LEU 126 - HD3 ARG 92 lone 1 32 - 4 - HG LEU 126 - HD2 ARG 92 lone 1 43 - 2 - HG LEU 126 - HD3 ARG 92 lone 1 41 - 2 - HD2 LYS 119 - HD2 ARG 92 lone 0 41 - 1 - HD3 LYS 119 - HD2 ARG 92 lone 0 40 - 1 - HD2 LYS 119 - HD3 ARG 92 lone 0 40 - 1 - HD3 LYS 119 - HD3 ARG 92 lone 0 39 - 1 - HG12 ILE 124 - HD2 ARG 92 lone 0 26 - 1 - HG12 ILE 124 - HD3 ARG 92 lone 0 25 - 1 - Peak 4158 from cnoeabs.peaks (3.20, 3.13, 43.31 ppm; 2.48 A): 1 out of 21 assignments used, quality = 1.00: * HD2 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 1.8=100 HD3 ARG 71 - HD3 ARG 81 OK 19 92 - 20 - 4151=3, 3892/1.8=3...(5) HD2 ARG 71 - HD3 ARG 81 OK 17 83 - 21 - 3885/1.8=3, 4151=3...(6) HB3 PHE 83 - HD3 ARG 81 poor 10 99 - 10 - ~4200=2, 4118/3.5=1...(4) HA GLN 42 - HD3 ARG 81 lone 9 96 - 10 - 3.9/8268=1, 8565/2.9=1 HD2 ARG 81 - HD2 ARG 92 lone 4 52 - 7 - 4151=1 HD2 ARG 81 - HD3 ARG 92 lone 4 50 - 7 - 4151=1 HD2 ARG 53 - HD3 ARG 81 lone 4 71 - 5 - HD2 ARG 53 - HD2 ARG 92 lone 2 30 - 7 - HD2 ARG 53 - HD3 ARG 92 lone 2 29 - 7 - HB3 TRP 20 - HD3 ARG 81 lone 1 76 - 2 - HB3 PHE 83 - HD2 ARG 92 lone 1 49 - 2 - HB3 PHE 83 - HD3 ARG 92 lone 1 47 - 2 - HD3 ARG 71 - HD2 ARG 92 lone 0 43 - 0 - HD3 ARG 71 - HD3 ARG 92 lone 0 41 - 0 - HD2 ARG 71 - HD2 ARG 92 lone 0 37 - 0 - HD2 ARG 71 - HD3 ARG 92 lone 0 35 - 0 - HA GLN 42 - HD2 ARG 92 lone 0 46 - 0 - HA GLN 42 - HD3 ARG 92 lone 0 44 - 0 - HB3 TRP 20 - HD2 ARG 92 lone 0 33 - 0 - HB3 TRP 20 - HD3 ARG 92 lone 0 32 - 0 - Peak 4159 from cnoeabs.peaks (3.13, 3.13, 43.31 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 HD2 ARG 92 - HD2 ARG 92 OK 39 39 - 100 HD3 ARG 92 - HD3 ARG 92 OK 37 37 - 100 Peak 4160 from cnoeabs.peaks (8.45, 4.54, 58.64 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 82 + HA GLU 82 OK 100 100 - 100 - 2.9=100 H ILE 63 - HA GLU 82 OK 40 98 - 40 - 4184/4.1=8, 398/3.6=8...(8) H GLN 16 - HA GLU 82 OK 20 100 - 20 - 4.6/6140=4, 398/3.6=3...(8) H LEU 51 - HA GLU 82 OK 11 73 - 15 - 4.3/6924=3, 398/3.6=2...(5) Peak 4161 from cnoeabs.peaks (4.54, 4.54, 58.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 82 + HA GLU 82 OK 100 100 - 100 Peak 4162 from cnoeabs.peaks (2.34, 4.54, 58.64 ppm; 3.75 A): 2 out of 9 assignments used, quality = 1.00: HB3 GLU 82 + HA GLU 82 OK 100 100 - 100 - 3.0=100 * HB2 GLU 82 + HA GLU 82 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 - HA GLU 82 OK 28 98 - 29 - 4167=3, ~3834=3, ~3830=2...(16) HG2 GLU 15 - HA GLU 82 poor 10 63 - 16 - ~5448=3, 4.6/6140=3...(5) HG3 GLU 56 - HA GLU 82 poor 8 73 - 10 - 8303/2.9=2, ~5747=1, ~393=1 HB2 LEU 54 - HA GLU 82 lone 7 98 - 7 - ~3193=1 HB VAL 18 - HA GLU 82 lone 6 87 - 7 - 4.0/6145=1, 2.1/8748=1 HB3 PRO 60 - HA GLU 82 lone 5 83 - 6 - HB3 ASN 118 - HA GLU 82 lone 4 95 - 4 - 3.0/6263=1 Peak 4163 from cnoeabs.peaks (2.34, 4.54, 58.64 ppm; 3.75 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 82 + HA GLU 82 OK 100 100 - 100 - 3.0=100 HB2 GLU 82 + HA GLU 82 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 - HA GLU 82 OK 28 98 - 29 - 4167=3, ~3834=3, ~3830=2...(16) HG2 GLU 15 - HA GLU 82 poor 10 63 - 16 - ~5448=3, 4.6/6140=3...(5) HG3 GLU 56 - HA GLU 82 poor 8 73 - 10 - 8303/2.9=2, ~5747=1, ~393=1 HB2 LEU 54 - HA GLU 82 lone 7 98 - 7 - ~3193=1 HB VAL 18 - HA GLU 82 lone 6 87 - 7 - 4.0/6145=1, 2.1/8748=1 HB3 PRO 60 - HA GLU 82 lone 5 83 - 6 - HB3 ASN 118 - HA GLU 82 lone 4 95 - 4 - 3.0/6263=1 Peak 4164 from cnoeabs.peaks (2.52, 4.54, 58.64 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 82 + HA GLU 82 OK 100 100 - 100 - 4.1=100 HG3 GLN 103 + HA GLU 82 OK 59 100 - 59 - 7775=19, 1.8/7774=14...(10) HE3 LYS 46 - HA GLU 82 OK 10 81 - 13 - 402/3.6=2, 1174/2.9=2...(4) Peak 4165 from cnoeabs.peaks (2.95, 4.54, 58.64 ppm; 4.81 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 82 + HA GLU 82 OK 100 100 - 100 - 4.1=100 HB3 PHE 96 - HA GLU 82 OK 15 89 - 17 - 1175/2.9=4, 2.4/4709=3...(6) HE3 LYS 32 - HA GLU 82 lone 4 73 - 5 - 1175/2.9=1 HE2 LYS 31 - HA GLU 82 lone 4 76 - 5 - 1175/2.9=1 HE3 LYS 31 - HA GLU 82 lone 4 76 - 5 - 1175/2.9=1 HE2 LYS 32 - HA GLU 82 lone 4 71 - 5 - Peak 4166 from cnoeabs.peaks (8.45, 2.34, 28.65 ppm; 4.25 A): 4 out of 12 assignments used, quality = 1.00: H GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.7=100 * H GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.7=100 H ILE 63 + HB2 GLU 82 OK 52 98 - 53 - 4184/3.0=11, 4178/3.0=9...(12) H ILE 63 + HB3 GLU 82 OK 52 98 - 53 - 4184/3.0=11, 4178/3.0=9...(12) H GLN 16 - HG2 PRO 70 OK 26 98 - 27 - 3.6/5957=6, 33/2.3=6...(8) H GLU 82 - HG2 PRO 70 OK 20 98 - 21 - 2.9/4162=4, 393/1.8=4...(7) H GLN 16 - HB3 GLU 82 OK 20 100 - 19 - 4160/3.0=4, 398/4.3=3...(7) H GLN 16 - HB2 GLU 82 OK 20 100 - 19 - 4160/3.0=4, 398/4.3=3...(7) H ILE 63 - HG2 PRO 70 OK 11 95 - 12 - 4.0/7141=2, 5.0/7148=2, ~7135=1 H LEU 51 - HB2 GLU 82 poor 9 73 - 12 - 4160/3.0=2, 2.9/6052=2...(7) H LEU 51 - HB3 GLU 82 poor 9 73 - 12 - 4160/3.0=2, 2.9/6052=2...(7) H LEU 51 - HG2 PRO 70 lone 3 69 - 4 - Peak 4167 from cnoeabs.peaks (4.54, 2.34, 28.65 ppm; 3.78 A): 4 out of 18 assignments used, quality = 1.00: * HA GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 HA GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 HA ASN 79 + HB2 GLU 82 OK 57 100 - 57 - 6120=14, 6119/3.7=14...(17) HA ASN 79 + HB3 GLU 82 OK 57 100 - 57 - 6122=14, 6119/3.7=14...(17) HA ASN 79 - HG2 PRO 70 OK 41 98 - 42 - 6120=11, ~7461=5...(13) HA GLU 82 - HG2 PRO 70 OK 30 98 - 31 - 4162=5, ~3834=3, ~3830=2...(16) HA LEU 27 - HB2 GLU 82 OK 12 98 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA LEU 27 - HB3 GLU 82 OK 12 98 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA ASN 99 - HB2 GLU 82 poor 10 96 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA ASN 99 - HB3 GLU 82 poor 10 96 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA THR 95 - HB3 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA THR 95 - HB2 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA ASN 99 - HG2 PRO 70 lone 5 92 - 6 - HA THR 95 - HG2 PRO 70 lone 4 97 - 4 - HA LEU 27 - HG2 PRO 70 lone 3 95 - 3 - HB THR 121 - HB2 GLU 82 lone 3 90 - 3 - HB THR 121 - HB3 GLU 82 lone 3 90 - 3 - HB THR 121 - HG2 PRO 70 lone 2 86 - 2 - Peak 4168 from cnoeabs.peaks (2.34, 2.34, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 82 + HB3 GLU 82 OK 100 100 - 100 * HB2 GLU 82 + HB2 GLU 82 OK 100 100 - 100 HG2 PRO 70 + HG2 PRO 70 OK 95 95 - 100 Peak 4169 from cnoeabs.peaks (2.34, 2.34, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 82 + HB3 GLU 82 OK 100 100 - 100 HB2 GLU 82 + HB2 GLU 82 OK 100 100 - 100 HG2 PRO 70 + HG2 PRO 70 OK 95 95 - 100 Reference assignment not found: HB3 GLU 82 - HB2 GLU 82 Peak 4170 from cnoeabs.peaks (2.52, 2.34, 28.65 ppm; 3.76 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 HG2 GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 HG3 GLN 103 - HB3 GLU 82 OK 33 100 - 33 - 7775/3.0=7, 4188/3.0=6...(9) HG3 GLN 103 - HB2 GLU 82 OK 33 100 - 33 - 7775/3.0=7, 4188/3.0=6...(9) HG2 GLU 82 - HG2 PRO 70 OK 30 98 - 31 - 4180=6, 1.8/4187=4...(13) HG3 GLN 103 - HG2 PRO 70 OK 12 98 - 12 - 4750=2, 1.8/4742=1, 3.0/4734=1 HE3 LYS 46 - HB3 GLU 82 lone 6 81 - 7 - 4188/3.0=1, 4164/3.0=1...(4) HE3 LYS 46 - HB2 GLU 82 lone 6 81 - 7 - 4188/3.0=1, 4164/3.0=1...(4) HE3 LYS 46 - HG2 PRO 70 lone 4 76 - 5 - Peak 4171 from cnoeabs.peaks (2.95, 2.34, 28.65 ppm; 4.26 A): 2 out of 18 assignments used, quality = 1.00: HG3 GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 * HG3 GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 HG3 GLU 82 - HG2 PRO 70 OK 36 98 - 37 - 4186=5, 1.8/4181=5...(14) HB3 PHE 96 - HB2 GLU 82 OK 15 89 - 16 - 4183/3.0=3, 4165/3.0=3...(7) HB3 PHE 96 - HB3 GLU 82 OK 15 89 - 16 - 4183/3.0=3, 4165/3.0=3...(7) HE3 LYS 32 - HB2 GLU 82 lone 3 73 - 4 - HE3 LYS 32 - HB3 GLU 82 lone 3 73 - 4 - HE2 LYS 32 - HB3 GLU 82 lone 3 71 - 4 - HE2 LYS 32 - HB2 GLU 82 lone 3 71 - 4 - HE3 LYS 31 - HB2 GLU 82 lone 3 76 - 4 - HE2 LYS 31 - HB3 GLU 82 lone 3 76 - 4 - HE2 LYS 31 - HB2 GLU 82 lone 3 76 - 4 - HE3 LYS 31 - HB3 GLU 82 lone 3 76 - 4 - HB3 PHE 96 - HG2 PRO 70 lone 2 84 - 2 - HE3 LYS 32 - HG2 PRO 70 lone 1 69 - 1 - HE2 LYS 32 - HG2 PRO 70 lone 1 67 - 1 - HE2 LYS 31 - HG2 PRO 70 lone 1 72 - 1 - HE3 LYS 31 - HG2 PRO 70 lone 1 72 - 1 - Peak 4172 from cnoeabs.peaks (8.45, 2.34, 28.65 ppm; 4.25 A): 4 out of 12 assignments used, quality = 1.00: * H GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.7=100 H GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.7=100 H ILE 63 + HB2 GLU 82 OK 52 98 - 53 - 4184/3.0=11, 4178/3.0=9...(12) H ILE 63 + HB3 GLU 82 OK 52 98 - 53 - 4184/3.0=11, 4178/3.0=9...(12) H GLN 16 - HG2 PRO 70 OK 26 98 - 27 - 3.6/5957=6, 33/2.3=6...(8) H GLU 82 - HG2 PRO 70 OK 20 98 - 21 - 2.9/4162=4, 393/1.8=4...(7) H GLN 16 - HB3 GLU 82 OK 20 100 - 19 - 4160/3.0=4, 398/4.3=3...(7) H GLN 16 - HB2 GLU 82 OK 20 100 - 19 - 4160/3.0=4, 398/4.3=3...(7) H ILE 63 - HG2 PRO 70 OK 11 95 - 12 - 4.0/7141=2, 5.0/7148=2, ~7135=1 H LEU 51 - HB2 GLU 82 poor 9 73 - 12 - 4160/3.0=2, 2.9/6052=2...(7) H LEU 51 - HB3 GLU 82 poor 9 73 - 12 - 4160/3.0=2, 2.9/6052=2...(7) H LEU 51 - HG2 PRO 70 lone 3 69 - 4 - Peak 4173 from cnoeabs.peaks (4.54, 2.34, 28.65 ppm; 3.78 A): 4 out of 18 assignments used, quality = 1.00: HA GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 * HA GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 HA ASN 79 + HB2 GLU 82 OK 57 100 - 57 - 6120=14, 6119/3.7=14...(17) HA ASN 79 + HB3 GLU 82 OK 57 100 - 57 - 6122=14, 6119/3.7=14...(17) HA ASN 79 - HG2 PRO 70 OK 41 98 - 42 - 6120=11, ~7461=5...(13) HA GLU 82 - HG2 PRO 70 OK 30 98 - 31 - 4162=5, ~3834=3, ~3830=2...(16) HA LEU 27 - HB2 GLU 82 OK 12 98 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA LEU 27 - HB3 GLU 82 OK 12 98 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA ASN 99 - HB2 GLU 82 poor 10 96 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA ASN 99 - HB3 GLU 82 poor 10 96 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA THR 95 - HB3 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA THR 95 - HB2 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA ASN 99 - HG2 PRO 70 lone 5 92 - 6 - HA THR 95 - HG2 PRO 70 lone 4 97 - 4 - HA LEU 27 - HG2 PRO 70 lone 3 95 - 3 - HB THR 121 - HB2 GLU 82 lone 3 90 - 3 - HB THR 121 - HB3 GLU 82 lone 3 90 - 3 - HB THR 121 - HG2 PRO 70 lone 2 86 - 2 - Peak 4174 from cnoeabs.peaks (2.34, 2.34, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 82 + HB3 GLU 82 OK 100 100 - 100 HB2 GLU 82 + HB2 GLU 82 OK 100 100 - 100 HG2 PRO 70 + HG2 PRO 70 OK 95 95 - 100 Reference assignment not found: HB2 GLU 82 - HB3 GLU 82 Peak 4175 from cnoeabs.peaks (2.34, 2.34, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 82 + HB3 GLU 82 OK 100 100 - 100 HB2 GLU 82 + HB2 GLU 82 OK 100 100 - 100 HG2 PRO 70 + HG2 PRO 70 OK 95 95 - 100 Peak 4176 from cnoeabs.peaks (2.52, 2.34, 28.65 ppm; 3.76 A): 2 out of 9 assignments used, quality = 1.00: HG2 GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 * HG2 GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 HG3 GLN 103 - HB3 GLU 82 OK 33 100 - 33 - 7775/3.0=7, 4188/3.0=6...(9) HG3 GLN 103 - HB2 GLU 82 OK 33 100 - 33 - 7775/3.0=7, 4188/3.0=6...(9) HG2 GLU 82 - HG2 PRO 70 OK 30 98 - 31 - 4180=6, 1.8/4187=4...(13) HG3 GLN 103 - HG2 PRO 70 OK 12 98 - 12 - 4750=2, 1.8/4742=1, 3.0/4734=1 HE3 LYS 46 - HB3 GLU 82 lone 6 81 - 7 - 4188/3.0=1, 4164/3.0=1...(4) HE3 LYS 46 - HB2 GLU 82 lone 6 81 - 7 - 4188/3.0=1, 4164/3.0=1...(4) HE3 LYS 46 - HG2 PRO 70 lone 4 76 - 5 - Peak 4177 from cnoeabs.peaks (2.95, 2.34, 28.65 ppm; 4.26 A): 2 out of 18 assignments used, quality = 1.00: * HG3 GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 HG3 GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 HG3 GLU 82 - HG2 PRO 70 OK 36 98 - 37 - 4186=5, 1.8/4181=5...(14) HB3 PHE 96 - HB2 GLU 82 OK 15 89 - 16 - 4183/3.0=3, 4165/3.0=3...(7) HB3 PHE 96 - HB3 GLU 82 OK 15 89 - 16 - 4183/3.0=3, 4165/3.0=3...(7) HE3 LYS 32 - HB2 GLU 82 lone 3 73 - 4 - HE3 LYS 32 - HB3 GLU 82 lone 3 73 - 4 - HE2 LYS 32 - HB3 GLU 82 lone 3 71 - 4 - HE2 LYS 32 - HB2 GLU 82 lone 3 71 - 4 - HE3 LYS 31 - HB2 GLU 82 lone 3 76 - 4 - HE2 LYS 31 - HB3 GLU 82 lone 3 76 - 4 - HE2 LYS 31 - HB2 GLU 82 lone 3 76 - 4 - HE3 LYS 31 - HB3 GLU 82 lone 3 76 - 4 - HB3 PHE 96 - HG2 PRO 70 lone 2 84 - 2 - HE3 LYS 32 - HG2 PRO 70 lone 1 69 - 1 - HE2 LYS 32 - HG2 PRO 70 lone 1 67 - 1 - HE2 LYS 31 - HG2 PRO 70 lone 1 72 - 1 - HE3 LYS 31 - HG2 PRO 70 lone 1 72 - 1 - Peak 4178 from cnoeabs.peaks (8.45, 2.52, 35.00 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 82 + HG2 GLU 82 OK 98 100 - 98 - 5.2=92, 1175/1.8=38...(12) H ILE 63 + HG2 GLU 82 OK 78 98 - 80 - 4.0/8649=26, 4.6/8438=23...(11) H GLN 16 - HG2 GLU 82 OK 19 100 - 19 - 4160/4.1=4, 4184/1.8=4...(8) H LEU 51 - HG2 GLU 82 OK 10 73 - 14 - 4160/4.1=2, 4184/1.8=2...(5) Peak 4179 from cnoeabs.peaks (4.54, 2.52, 35.00 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 82 + HG2 GLU 82 OK 100 100 - 100 - 4.1=100 HA ASN 79 + HG2 GLU 82 OK 47 100 - 47 - 6119/5.2=14, 6122/3.0=12...(9) HA LEU 27 - HG2 GLU 82 OK 15 98 - 16 - 4185/1.8=3, 4.0/7452=3...(4) HA ASN 99 - HG2 GLU 82 OK 10 96 - 11 - 6184/1289=2, 4185/1.8=2 HA THR 95 - HG2 GLU 82 lone 8 100 - 8 - 4185/1.8=2, 1677/5.2=1 HB THR 121 - HG2 GLU 82 lone 3 90 - 4 - Peak 4180 from cnoeabs.peaks (2.34, 2.52, 35.00 ppm; 3.77 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 82 + HG2 GLU 82 OK 100 100 - 100 - 3.0=100 HB3 GLU 82 + HG2 GLU 82 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 - HG2 GLU 82 OK 29 98 - 30 - 4170=5, 4186/1.8=4...(13) HG3 GLU 56 - HG2 GLU 82 poor 9 73 - 12 - 7026/8649=2, 8303/5.2=2...(5) HB2 LEU 54 - HG2 GLU 82 lone 7 98 - 7 - ~3193=1, 4187/1.8=1 HB3 PRO 60 - HG2 GLU 82 lone 6 83 - 7 - HG2 GLU 15 - HG2 GLU 82 lone 4 63 - 6 - 5447/5.2=2 HB VAL 18 - HG2 GLU 82 lone 4 87 - 4 - HB3 ASN 118 - HG2 GLU 82 lone 3 95 - 3 - Peak 4181 from cnoeabs.peaks (2.34, 2.52, 35.00 ppm; 3.77 A): 2 out of 9 assignments used, quality = 1.00: HB2 GLU 82 + HG2 GLU 82 OK 100 100 - 100 - 3.0=100 * HB3 GLU 82 + HG2 GLU 82 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 - HG2 GLU 82 OK 29 98 - 30 - 4170=5, 4186/1.8=4...(13) HG3 GLU 56 - HG2 GLU 82 poor 9 73 - 12 - 7026/8649=2, 8303/5.2=2...(5) HB2 LEU 54 - HG2 GLU 82 lone 7 98 - 7 - ~3193=1, 4187/1.8=1 HB3 PRO 60 - HG2 GLU 82 lone 6 83 - 7 - HG2 GLU 15 - HG2 GLU 82 lone 4 63 - 6 - 5447/5.2=2 HB VAL 18 - HG2 GLU 82 lone 4 87 - 4 - HB3 ASN 118 - HG2 GLU 82 lone 3 95 - 3 - Peak 4182 from cnoeabs.peaks (2.52, 2.52, 35.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 82 + HG2 GLU 82 OK 100 100 - 100 Peak 4183 from cnoeabs.peaks (2.95, 2.52, 35.00 ppm; 3.49 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 82 + HG2 GLU 82 OK 100 100 - 100 - 1.8=100 HB3 PHE 96 - HG2 GLU 82 poor 9 89 - 11 - 4165/4.1=2, ~4598=1...(7) HE3 LYS 32 - HG2 GLU 82 lone 2 73 - 3 - HE2 LYS 32 - HG2 GLU 82 lone 2 71 - 3 - HE2 LYS 31 - HG2 GLU 82 lone 2 76 - 2 - HE3 LYS 31 - HG2 GLU 82 lone 2 76 - 2 - Peak 4184 from cnoeabs.peaks (8.45, 2.95, 35.00 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.98: * H GLU 82 + HG3 GLU 82 OK 92 100 - 92 - 5.2=77, 1174/1.8=31...(10) H ILE 63 + HG3 GLU 82 OK 76 98 - 78 - 4.0/7143=25, 4.6/8437=21...(11) H GLN 16 - HG3 GLU 82 OK 16 100 - 16 - 4160/4.1=4, 4178/1.8=3...(7) H LEU 51 - HG3 GLU 82 poor 9 73 - 12 - 4160/4.1=2, 4178/1.8=2...(5) Peak 4185 from cnoeabs.peaks (4.54, 2.95, 35.00 ppm; 4.44 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 82 + HG3 GLU 82 OK 100 100 - 100 - 4.1=100 HA ASN 79 + HG3 GLU 82 OK 45 100 - 45 - 6119/5.2=13, 6122/3.0=12...(8) HA LEU 27 - HG3 GLU 82 OK 14 98 - 15 - 4179/1.8=3, 4.0/7454=3...(4) HA THR 95 - HG3 GLU 82 lone 9 100 - 9 - 3.6/1250=2, 4179/1.8=2 HA ASN 99 - HG3 GLU 82 lone 8 96 - 9 - 4179/1.8=2, 1677/5.2=1 HB THR 121 - HG3 GLU 82 lone 3 90 - 3 - Peak 4186 from cnoeabs.peaks (2.34, 2.95, 35.00 ppm; 3.73 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 82 + HG3 GLU 82 OK 100 100 - 100 - 3.0=100 HB3 GLU 82 + HG3 GLU 82 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 - HG3 GLU 82 OK 28 98 - 29 - 4180/1.8=4, 4177=4...(13) HG3 GLU 56 - HG3 GLU 82 poor 9 73 - 12 - 7026/7143=2, 8303/5.2=2...(5) HB2 LEU 54 - HG3 GLU 82 lone 7 98 - 7 - ~3193=1 HB3 PRO 60 - HG3 GLU 82 lone 6 83 - 7 - HB VAL 18 - HG3 GLU 82 lone 4 87 - 4 - HG2 GLU 15 - HG3 GLU 82 lone 4 63 - 6 - 5447/5.2=2 HB3 ASN 118 - HG3 GLU 82 lone 3 95 - 3 - Peak 4187 from cnoeabs.peaks (2.34, 2.95, 35.00 ppm; 3.73 A): 2 out of 9 assignments used, quality = 1.00: HB2 GLU 82 + HG3 GLU 82 OK 100 100 - 100 - 3.0=100 * HB3 GLU 82 + HG3 GLU 82 OK 100 100 - 100 - 3.0=100 HG2 PRO 70 - HG3 GLU 82 OK 28 98 - 29 - 4180/1.8=4, 4177=4...(13) HG3 GLU 56 - HG3 GLU 82 poor 9 73 - 12 - 7026/7143=2, 8303/5.2=2...(5) HB2 LEU 54 - HG3 GLU 82 lone 7 98 - 7 - ~3193=1 HB3 PRO 60 - HG3 GLU 82 lone 6 83 - 7 - HB VAL 18 - HG3 GLU 82 lone 4 87 - 4 - HG2 GLU 15 - HG3 GLU 82 lone 4 63 - 6 - 5447/5.2=2 HB3 ASN 118 - HG3 GLU 82 lone 3 95 - 3 - Peak 4188 from cnoeabs.peaks (2.52, 2.95, 35.00 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 82 + HG3 GLU 82 OK 100 100 - 100 - 1.8=100 HG3 GLN 103 - HG3 GLU 82 OK 26 100 - 26 - 7775/4.1=5, 1174/5.2=3...(12) HE3 LYS 46 - HG3 GLU 82 lone 6 81 - 7 - 7163/7162=1 Peak 4189 from cnoeabs.peaks (2.95, 2.95, 35.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 82 + HG3 GLU 82 OK 100 100 - 100 Peak 4190 from cnoeabs.peaks (7.84, 4.15, 61.33 ppm; 4.07 A): 1 out of 5 assignments used, quality = 1.00: * H PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.0=100 H ASN 79 - HA PHE 83 OK 43 99 - 43 - 374=7, 404/3.6=5...(14) H GLY 88 - HA PHE 83 OK 33 93 - 35 - 4.7/6148=12, 4197/3.0=6...(7) HD21 ASN 99 - HA PHE 83 poor 9 85 - 11 - ~7471=2, 4204/3.0=1...(6) H GLY 25 - HA PHE 83 lone 2 60 - 4 - Peak 4191 from cnoeabs.peaks (4.15, 4.15, 61.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 83 + HA PHE 83 OK 100 100 - 100 Peak 4192 from cnoeabs.peaks (3.52, 4.15, 61.33 ppm; 4.15 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.0=100 HA LEU 84 + HA PHE 83 OK 57 90 - 63 - 1178/3.0=12, 4206/3.0=9...(16) HB2 PHE 96 - HA PHE 83 OK 28 100 - 28 - 406/3.6=5, 2.4/4707=4...(10) HB3 SER 44 - HA PHE 83 lone 7 85 - 8 - 4206/3.0=2, 1184/3.6=1 HB2 ASP 47 - HA PHE 83 lone 2 68 - 2 - Peak 4193 from cnoeabs.peaks (3.21, 4.15, 61.33 ppm; 3.95 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.0=100 HD2 ARG 81 - HA PHE 83 OK 34 99 - 35 - 1179/3.0=7, 4200/3.0=5...(14) HA GLN 42 - HA PHE 83 OK 15 100 - 15 - 4200/3.0=3, 1179/3.0=2...(6) HD2 ARG 71 - HA PHE 83 lone 9 96 - 9 - 1179/3.0=2, 4200/3.0=2 HD3 ARG 71 - HA PHE 83 lone 7 76 - 9 - 1179/3.0=1, 4200/3.0=1, ~1179=1 HB3 TRP 20 - HA PHE 83 lone 6 92 - 6 - Peak 4196 from cnoeabs.peaks (7.11, 4.15, 61.33 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: * QD PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.7=100 QD PHE 40 + HA PHE 83 OK 54 99 - 54 - 4210/3.0=9, 2.5/6001=9...(12) H LEU 93 - HA PHE 83 OK 18 78 - 23 - 410/3.6=4, 1182/3.0=3...(7) HE ARG 92 - HA PHE 83 OK 13 99 - 12 - 410/3.6=2, 1182/3.0=2...(4) HE ARG 53 - HA PHE 83 poor 8 76 - 10 - 4210/3.0=1, 4203/3.0=1 Peak 4197 from cnoeabs.peaks (7.84, 3.52, 38.12 ppm; 4.02 A): 1 out of 5 assignments used, quality = 0.99: * H PHE 83 + HB2 PHE 83 OK 99 100 - 99 - 4.0=99, 1179/1.8=27...(5) H GLY 88 - HB2 PHE 83 OK 33 93 - 35 - 1709=7, 4204/1.8=5...(8) H ASN 79 - HB2 PHE 83 OK 23 99 - 23 - 4190/3.0=7, 4204/1.8=7...(6) HD21 ASN 99 - HB2 PHE 83 lone 6 85 - 7 - ~7471=2, 4204/1.8=2, 4190/3.0=1 H GLY 25 - HB2 PHE 83 lone 1 60 - 2 - Peak 4198 from cnoeabs.peaks (4.15, 3.52, 38.12 ppm; 4.26 A): 1 out of 12 assignments used, quality = 1.00: * HA PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 3.0=100 HA GLU 28 - HB2 PHE 83 OK 20 97 - 20 - 2304/4.5=3, 4205/1.8=3...(8) HA PRO 37 - HB2 PHE 83 OK 18 100 - 18 - 6699/2.5=5, 4205/1.8=3...(5) HA SER 78 - HB2 PHE 83 OK 17 83 - 21 - 3.6/4197=4, 5733/4.0=3...(10) HA ALA 98 - HB2 PHE 83 OK 16 97 - 16 - ~8361=4, 4205/1.8=2...(6) HA ILE 63 - HB2 PHE 83 OK 15 97 - 15 - 1177/4.0=4, 4205/1.8=3...(6) HB3 SER 78 - HB2 PHE 83 OK 15 81 - 19 - 4.5/4197=3, 5735/4.0=3...(8) HA ILE 124 - HB2 PHE 83 OK 11 99 - 11 - 4205/1.8=2, 1177/4.0=1, ~8355=1 HB2 SER 113 - HB2 PHE 83 lone 8 100 - 8 - 405/4.5=1 HA ASN 108 - HB2 PHE 83 lone 4 100 - 4 - HA GLU 56 - HB2 PHE 83 lone 4 81 - 5 - 1177/4.0=1 HB3 SER 72 - HB2 PHE 83 lone 3 98 - 3 - Peak 4199 from cnoeabs.peaks (3.52, 3.52, 38.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 83 + HB2 PHE 83 OK 100 100 - 100 Peak 4200 from cnoeabs.peaks (3.21, 3.52, 38.12 ppm; 3.68 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 1.8=100 HD2 ARG 81 - HB2 PHE 83 OK 28 99 - 28 - 4193/3.0=5, 1179/4.0=5...(10) HA GLN 42 - HB2 PHE 83 OK 14 100 - 14 - 3.6/6802=3, 4193/3.0=2...(7) HD2 ARG 71 - HB2 PHE 83 lone 8 96 - 8 - 4193/3.0=1, 1179/4.0=1 HD3 ARG 71 - HB2 PHE 83 lone 5 76 - 7 - 4193/3.0=1 HB3 TRP 20 - HB2 PHE 83 lone 5 92 - 5 - ~2031=1 Peak 4203 from cnoeabs.peaks (7.11, 3.52, 38.12 ppm; 4.38 A): 2 out of 5 assignments used, quality = 1.00: * QD PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 2.5=100 QD PHE 40 + HB2 PHE 83 OK 49 99 - 50 - 4210/1.8=11, 4196/3.0=9...(12) H LEU 93 - HB2 PHE 83 OK 13 78 - 17 - 410/4.5=3, 4196/3.0=3...(4) HE ARG 92 - HB2 PHE 83 OK 11 99 - 11 - 4210/1.8=2, 4196/3.0=2...(4) HE ARG 53 - HB2 PHE 83 lone 6 76 - 8 - 4210/1.8=1, 4196/3.0=1 Peak 4204 from cnoeabs.peaks (7.84, 3.21, 38.12 ppm; 3.98 A): 1 out of 5 assignments used, quality = 0.98: * H PHE 83 + HB3 PHE 83 OK 98 100 - 98 - 4.0=95, 1178/1.8=24...(8) H ASN 79 - HB3 PHE 83 OK 27 99 - 27 - 4190/3.0=7, 4197/1.8=5...(8) H GLY 88 - HB3 PHE 83 OK 22 93 - 24 - 4197/1.8=7, 4190/3.0=5...(5) HD21 ASN 99 - HB3 PHE 83 lone 8 85 - 9 - 3.5/7471=3, 4190/3.0=1 H GLY 25 - HB3 PHE 83 lone 2 60 - 3 - Peak 4205 from cnoeabs.peaks (4.15, 3.21, 38.12 ppm; 4.03 A): 1 out of 12 assignments used, quality = 1.00: * HA PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 3.0=100 HA GLU 28 - HB3 PHE 83 OK 18 97 - 18 - 3.0/5759=3, 2304/4.5=3...(7) HA ILE 63 - HB3 PHE 83 OK 17 97 - 17 - 4.2/8647=4, 1177/4.0=3...(7) HA SER 78 - HB3 PHE 83 OK 17 83 - 20 - 3.6/4204=4, 5733/4.0=3...(10) HA PRO 37 - HB3 PHE 83 OK 15 100 - 15 - 6699/2.5=5, 4198/1.8=3...(5) HB3 SER 78 - HB3 PHE 83 OK 14 81 - 17 - 4.5/4204=4, 5735/4.0=3...(7) HA ALA 98 - HB3 PHE 83 OK 12 97 - 13 - 2.1/8361=4, 4198/1.8=2...(5) HA ILE 124 - HB3 PHE 83 OK 10 99 - 10 - 4198/1.8=2, 1177/4.0=1...(4) HB2 SER 113 - HB3 PHE 83 lone 5 100 - 5 - 4198/1.8=1 HA GLU 56 - HB3 PHE 83 lone 5 81 - 6 - HA ASN 108 - HB3 PHE 83 lone 4 100 - 4 - HB3 SER 72 - HB3 PHE 83 lone 2 98 - 2 - Peak 4206 from cnoeabs.peaks (3.52, 3.21, 38.12 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 1.8=100 HA LEU 84 - HB3 PHE 83 OK 42 90 - 47 - 2.9/407=13, 7475/2.5=7...(9) HB2 PHE 96 - HB3 PHE 83 OK 18 100 - 18 - 4192/3.0=3, 406/4.5=3...(8) HB3 SER 44 - HB3 PHE 83 poor 9 85 - 10 - 4.0/1601=2, 4.6/1607=2, ~2872=1 HB2 ASP 47 - HB3 PHE 83 lone 1 68 - 2 - Peak 4207 from cnoeabs.peaks (3.21, 3.21, 38.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 83 + HB3 PHE 83 OK 100 100 - 100 Peak 4210 from cnoeabs.peaks (7.11, 3.21, 38.12 ppm; 4.21 A): 2 out of 5 assignments used, quality = 1.00: * QD PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 2.5=100 QD PHE 40 + HB3 PHE 83 OK 48 99 - 48 - 4203/1.8=10, 4196/3.0=8...(12) H LEU 93 - HB3 PHE 83 OK 11 78 - 14 - 4203/1.8=3, 4196/3.0=3...(4) HE ARG 92 - HB3 PHE 83 OK 10 99 - 10 - 4203/1.8=2, 4196/3.0=2...(4) HE ARG 53 - HB3 PHE 83 lone 6 76 - 8 - 4203/1.8=1, 4196/3.0=1 Peak 4232 from cnoeabs.peaks (8.49, 3.50, 57.68 ppm; 3.97 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 84 + HA LEU 84 OK 100 100 - 100 - 2.9=100 H GLU 28 - HA LEU 84 OK 29 100 - 30 - 4246/3.0=4, 883/3.0=4...(11) H PHE 40 - HA LEU 84 OK 24 99 - 24 - 4.5/7475=3, 411/3.6=3...(9) H LYS 31 - HA LEU 84 OK 15 100 - 15 - 4253/4.3=2, 4246/3.0=2...(6) H TYR 102 - HA LEU 84 OK 14 89 - 16 - 4260/3.9=3, 4.9/7485=2...(7) H LEU 77 - HA LEU 84 OK 13 93 - 13 - 411/3.6=2, 4246/3.0=2...(7) H SER 13 - HA LEU 84 lone 7 100 - 7 - 411/3.6=1, 4267/3.9=1 H GLU 38 - HA LEU 84 lone 5 71 - 7 - 411/3.6=1 H GLY 2 - HA LEU 84 lone 5 99 - 5 - Peak 4233 from cnoeabs.peaks (3.50, 3.50, 57.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 84 + HA LEU 84 OK 100 100 - 100 Peak 4234 from cnoeabs.peaks (1.90, 3.50, 57.68 ppm; 3.60 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LEU 84 + HA LEU 84 OK 100 100 - 100 - 3.0=100 HG LEU 84 + HA LEU 84 OK 77 92 - 84 - 4.3=60, 2.1/4237=24...(13) HB2 ARG 81 + HA LEU 84 OK 47 100 - 47 - 3.0/7441=8, ~6136=6...(15) HB ILE 22 - HA LEU 84 OK 32 99 - 32 - 5479/3.6=6, 3.9/6150=5...(12) HB2 LEU 21 - HA LEU 84 OK 27 76 - 36 - 3.1/6417=6, 4.6/6150=4...(17) HB ILE 80 - HA LEU 84 OK 25 85 - 29 - 3.0/6127=5, ~1688=4...(11) HB2 GLU 28 - HA LEU 84 OK 23 100 - 23 - 2310/2.9=5, 3.8/4232=3...(11) HB2 LYS 119 - HA LEU 84 OK 14 87 - 16 - 2.9/4235=2, 5205/3.0=2...(5) HB3 LYS 31 - HA LEU 84 poor 9 87 - 11 - 2415/2.9=1, 4.0/4232=1 HB2 ARG 92 - HA LEU 84 lone 4 65 - 7 - 4.2/7475=3, 5.1/7475=1 HB VAL 50 - HA LEU 84 lone 4 87 - 5 - HB3 GLU 73 - HA LEU 84 lone 4 99 - 4 - HG LEU 55 - HA LEU 84 lone 4 85 - 5 - HG LEU 58 - HA LEU 84 lone 3 60 - 5 - HB3 MET 11 - HA LEU 84 lone 3 95 - 3 - Peak 4235 from cnoeabs.peaks (1.31, 3.50, 57.68 ppm; 3.59 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 84 + HA LEU 84 OK 100 100 - 100 - 3.0=100 HG CYS 87 + HA LEU 84 OK 49 100 - 50 - 3.4/6153=19, 3.4/6151=13...(12) QG2 THR 23 - HA LEU 84 OK 32 99 - 32 - 2190/3.6=8, 4.0/5763=5...(11) HG3 LYS 119 - HA LEU 84 OK 21 97 - 22 - 4242/3.0=2, 4256/4.3=2...(8) QG2 THR 17 - HA LEU 84 OK 15 85 - 18 - 6340=4, 1186/2.9=2...(8) QB ALA 43 - HA LEU 84 poor 10 73 - 13 - 3.6/963=3, 2.9/6802=3...(4) HG2 LYS 46 - HA LEU 84 poor 9 85 - 10 - HG3 LYS 46 - HA LEU 84 poor 9 85 - 10 - HG LEU 54 - HA LEU 84 lone 2 60 - 4 - Peak 4236 from cnoeabs.peaks (1.89, 3.50, 57.68 ppm; 3.60 A): 2 out of 16 assignments used, quality = 0.99: HB2 LEU 84 + HA LEU 84 OK 92 92 - 100 - 3.0=100 * HG LEU 84 + HA LEU 84 OK 85 100 - 85 - 4.3=60, 2.1/4237=24...(14) HB2 ARG 81 - HA LEU 84 OK 38 83 - 46 - 3.0/7441=8, ~6136=6...(15) HB ILE 22 - HA LEU 84 OK 24 81 - 30 - 3.9/6150=5, 5479/3.6=5...(10) HB3 GLU 28 - HA LEU 84 OK 21 87 - 24 - 2316/2.9=4, 3.8/4232=3...(10) HB2 GLU 28 - HA LEU 84 OK 20 90 - 22 - 2310/2.9=4, 3.8/4232=3...(9) HB2 LYS 119 - HA LEU 84 OK 17 100 - 17 - 5205/3.0=3, 2.9/4235=2...(7) HB3 LYS 31 - HA LEU 84 OK 11 100 - 11 - 2415/2.9=2, 4.0/4232=1 HB2 ARG 92 - HA LEU 84 lone 7 96 - 7 - 4.2/7475=3, 5.1/7475=1 HB3 LYS 109 - HA LEU 84 lone 5 78 - 7 - 415/3.6=2, 1.8/7846=1 HB VAL 50 - HA LEU 84 lone 5 100 - 5 - HG LEU 55 - HA LEU 84 lone 5 100 - 5 - HB2 LEU 58 - HA LEU 84 lone 5 90 - 5 - HG3 PRO 68 - HA LEU 84 lone 4 87 - 4 - HB3 GLU 73 - HA LEU 84 lone 3 76 - 4 - HB3 MET 11 - HA LEU 84 lone 2 63 - 3 - Peak 4237 from cnoeabs.peaks (0.14, 3.50, 57.68 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.87: * QD2 LEU 84 + HA LEU 84 OK 78 100 - 78 - 3.9=54, 1188/2.9=11...(19) QG1 VAL 110 + HA LEU 84 OK 33 100 - 33 - 4251/3.0=6, 1188/2.9=5...(9) QD2 LEU 51 + HA LEU 84 OK 15 83 - 18 - 1188/2.9=3, 4251/3.0=3...(6) Peak 4238 from cnoeabs.peaks (0.75, 3.50, 57.68 ppm; 3.95 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 84 + HA LEU 84 OK 100 100 - 100 - 3.9=100 HG LEU 111 - HA LEU 84 OK 32 100 - 32 - 4252/3.0=4, 4266/3.9=4...(10) QD2 LEU 111 - HA LEU 84 OK 27 92 - 29 - 4252/3.0=4, 4266/3.9=4...(10) QG2 ILE 63 - HA LEU 84 OK 26 95 - 27 - 1189/2.9=4, 7142/6153=3...(10) QD2 LEU 93 - HA LEU 84 OK 25 99 - 25 - 4.7/7475=3, 8522/6153=3...(9) QD1 LEU 114 - HA LEU 84 OK 18 73 - 25 - 4252/3.0=3, 4272/3.9=3...(10) QD1 LEU 91 - HA LEU 84 OK 17 100 - 17 - 8375/6151=2, 4252/3.0=2...(8) QG2 VAL 66 - HA LEU 84 lone 6 71 - 8 - Peak 4239 from cnoeabs.peaks (8.49, 1.90, 41.31 ppm; 4.32 A): 1 out of 18 assignments used, quality = 1.00: * H LEU 84 + HB2 LEU 84 OK 100 100 - 100 - 4.0=100 H GLU 28 - HB2 LEU 84 OK 43 100 - 44 - 4246/1.8=6, 4253/3.0=6...(16) H LYS 31 - HB2 LEU 84 OK 24 100 - 23 - 4253/3.0=4, 4246/1.8=3...(8) H PHE 40 - HB2 LEU 84 OK 22 99 - 22 - 4232/3.0=4, 4246/1.8=4...(7) H TYR 102 - HB2 LEU 84 OK 17 89 - 19 - 4260/3.1=4, 4246/1.8=3...(7) H LEU 77 - HB2 LEU 84 OK 16 93 - 17 - 4246/1.8=2, 4253/3.0=2...(7) H LEU 84 - HB2 LEU 21 OK 14 64 - 22 - ~5977=4, ~6417=4...(8) H GLU 28 - HB2 LEU 21 OK 13 63 - 20 - 4.8/6525=5, 4.3/6519=3...(6) H SER 13 - HB2 LEU 84 lone 10 100 - 10 - 4246/1.8=2, 4267/3.1=1...(6) H TYR 102 - HB2 LEU 21 poor 9 51 - 19 - 505/1.8=6, 1732/3.8=4...(5) H GLY 2 - HB2 LEU 84 lone 6 99 - 6 - 4246/1.8=1 H GLU 38 - HB2 LEU 84 lone 6 71 - 8 - 411/4.3=1 H PHE 40 - HB2 LEU 21 lone 3 62 - 6 - 938/3.0=1 H SER 13 - HB2 LEU 21 lone 3 63 - 5 - 4.7/12=2 H LEU 77 - HB2 LEU 21 lone 3 55 - 5 - 3.0/6108=1 H GLU 38 - HB2 LEU 21 lone 2 38 - 6 - ~6420=2 H LYS 31 - HB2 LEU 21 lone 2 64 - 3 - H GLY 2 - HB2 LEU 21 lone 1 61 - 1 - Peak 4240 from cnoeabs.peaks (3.50, 1.90, 41.31 ppm; 4.13 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 84 + HB2 LEU 84 OK 100 100 - 100 - 3.0=100 HB2 PHE 96 + HB2 LEU 84 OK 65 92 - 71 - 4261/3.1=10, 7633=10...(21) HB2 PHE 83 + HB2 LEU 84 OK 52 90 - 57 - 406/4.0=9, 4247/1.8=8...(16) HA LEU 84 - HB2 LEU 21 OK 28 64 - 44 - 6417/3.1=7, 6150/4.6=6...(21) HA VAL 18 - HB2 LEU 21 OK 23 45 - 53 - 5973/3.8=14, 6417/3.1=12...(14) HA VAL 18 - HB2 LEU 84 OK 23 81 - 28 - 6357/1.8=5, 5974=2...(13) HB3 SER 44 - HB2 LEU 84 OK 15 100 - 14 - 4247/1.8=3, ~2872=2...(9) HB3 SER 44 - HB2 LEU 21 poor 7 63 - 11 - 6417/3.1=3, ~5977=1...(6) HB2 PHE 96 - HB2 LEU 21 lone 4 53 - 8 - ~6395=1, ~6559=1, 7633=1 HB2 PHE 83 - HB2 LEU 21 lone 2 52 - 4 - Peak 4241 from cnoeabs.peaks (1.90, 1.90, 41.31 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 84 + HB2 LEU 84 OK 100 100 - 100 HB2 LEU 21 - HB2 LEU 21 OK 41 41 - 100 Peak 4242 from cnoeabs.peaks (1.31, 1.90, 41.31 ppm; 3.56 A): 2 out of 18 assignments used, quality = 1.00: * HB3 LEU 84 + HB2 LEU 84 OK 100 100 - 100 - 1.8=100 HG CYS 87 + HB2 LEU 84 OK 49 100 - 50 - ~6153=7, ~6151=6...(16) QG2 THR 23 - HB2 LEU 84 OK 34 99 - 35 - 2190/4.3=6, 4.0/5764=4...(14) HG3 LYS 119 - HB2 LEU 84 OK 28 97 - 29 - 4256/3.0=3, 4263/3.1=2...(13) HB3 LEU 84 - HB2 LEU 21 OK 22 64 - 35 - 6413/3.1=4, 6407/3.0=4...(19) QG2 THR 17 - HB2 LEU 21 OK 22 48 - 45 - 6337/3.1=15, 8194/3.1=14...(8) QG2 THR 23 - HB2 LEU 21 OK 17 62 - 28 - 6454/3.1=8, 6450/4.6=5...(9) HG LEU 54 - HB2 LEU 21 OK 14 31 - 44 - ~2118=6, ~6991=6...(15) QG2 THR 17 - HB2 LEU 84 OK 13 85 - 15 - 6340/3.0=3, 6336/3.1=2...(7) HG3 LYS 46 - HB2 LEU 84 OK 10 85 - 12 - 4263/3.1=1 HG2 LYS 46 - HB2 LEU 84 OK 10 85 - 12 - 4263/3.1=1 HG3 LYS 119 - HB2 LEU 21 poor 7 59 - 12 - 6413/3.1=1, 6407/3.0=1...(5) QB ALA 43 - HB2 LEU 84 lone 5 73 - 7 - ~6802=1, 4235/3.0=1, 6816/4.0=1 HG3 LYS 46 - HB2 LEU 21 poor 5 48 - 10 - 6413/3.1=2, 6416/3.1=2...(5) HG2 LYS 46 - HB2 LEU 21 poor 5 48 - 10 - 6413/3.1=2, 6416/3.1=2...(5) HG LEU 54 - HB2 LEU 84 lone 3 60 - 5 - HG CYS 87 - HB2 LEU 21 lone 3 63 - 4 - QB ALA 43 - HB2 LEU 21 lone 1 40 - 3 - Peak 4243 from cnoeabs.peaks (1.89, 1.90, 41.31 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HB2 LEU 84 + HB2 LEU 84 OK 92 92 - 100 Reference assignment not found: HG LEU 84 - HB2 LEU 84 Peak 4244 from cnoeabs.peaks (0.14, 1.90, 41.31 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 84 + HB2 LEU 84 OK 100 100 - 100 - 3.1=100 QG1 VAL 110 + HB2 LEU 84 OK 57 100 - 57 - 4251/1.8=12, 4237/3.0=10...(14) QD2 LEU 51 - HB2 LEU 84 OK 27 83 - 33 - 4251/1.8=5, 4237/3.0=5...(11) QD2 LEU 84 - HB2 LEU 21 OK 19 64 - 30 - ~6407=3, 3.1/4248=2...(15) QG1 VAL 110 - HB2 LEU 21 lone 6 64 - 10 - 7878/3.0=2, ~6405=1 QD2 LEU 51 - HB2 LEU 21 lone 3 46 - 7 - ~6405=1 Peak 4245 from cnoeabs.peaks (0.75, 1.90, 41.31 ppm; 3.84 A): 1 out of 16 assignments used, quality = 1.00: * QD1 LEU 84 + HB2 LEU 84 OK 100 100 - 100 - 3.1=100 HG LEU 111 - HB2 LEU 84 OK 41 100 - 41 - 4252/1.8=6, 4266/3.1=5...(13) QD2 LEU 111 - HB2 LEU 84 OK 35 92 - 39 - 4252/1.8=5, ~8164=5...(13) QD1 LEU 114 - HB2 LEU 84 OK 28 73 - 38 - ~7946=5, 4252/1.8=4...(17) QG2 ILE 63 - HB2 LEU 84 OK 26 95 - 28 - 4252/1.8=4, 1189/4.0=3...(9) QD2 LEU 93 - HB2 LEU 84 OK 22 99 - 22 - 4252/1.8=3, 4238/3.0=3...(6) QD1 LEU 84 - HB2 LEU 21 OK 16 64 - 26 - 2.1/4244=3, ~6407=2...(12) QD1 LEU 91 - HB2 LEU 84 OK 16 100 - 16 - 4252/1.8=2, 4266/3.1=2...(6) QG2 ILE 63 - HB2 LEU 21 poor 9 56 - 16 - ~7154=3, ~2116=1, ~6404=1 QD1 LEU 114 - HB2 LEU 21 poor 5 40 - 13 - ~6411=3, ~5086=1 QG2 VAL 66 - HB2 LEU 84 lone 5 71 - 7 - QD1 LEU 91 - HB2 LEU 21 lone 4 63 - 7 - HG LEU 111 - HB2 LEU 21 lone 4 63 - 6 - ~6405=1 QD2 LEU 111 - HB2 LEU 21 lone 3 53 - 6 - ~6405=1 QD2 LEU 93 - HB2 LEU 21 lone 3 62 - 5 - QG2 VAL 66 - HB2 LEU 21 lone 1 38 - 2 - Peak 4246 from cnoeabs.peaks (8.49, 1.31, 41.31 ppm; 4.31 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 84 + HB3 LEU 84 OK 100 100 - 100 - 4.0=100 H GLU 28 - HB3 LEU 84 OK 35 100 - 35 - 4239/1.8=6, 4253/3.0=6...(12) H PHE 40 - HB3 LEU 84 OK 20 99 - 21 - 4232/3.0=4, 4260/3.1=3...(7) H LYS 31 - HB3 LEU 84 OK 19 100 - 19 - 4253/3.0=3, 4239/1.8=3...(6) H TYR 102 - HB3 LEU 84 OK 15 89 - 17 - 4260/3.1=4, 4232/3.0=2...(7) H LEU 77 - HB3 LEU 84 OK 14 93 - 15 - 4253/3.0=2, 4239/1.8=2...(8) H SER 13 - HB3 LEU 84 lone 9 100 - 9 - 4267/3.1=1, 4239/1.8=1...(6) H GLY 2 - HB3 LEU 84 lone 6 99 - 6 - H GLU 38 - HB3 LEU 84 lone 6 71 - 8 - 411/4.3=1 Peak 4247 from cnoeabs.peaks (3.50, 1.31, 41.31 ppm; 4.06 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 84 + HB3 LEU 84 OK 100 100 - 100 - 3.0=100 HB2 PHE 96 + HB3 LEU 84 OK 56 92 - 61 - 4261/3.1=10, 7633/1.8=9...(17) HB2 PHE 83 + HB3 LEU 84 OK 49 90 - 55 - 4.5/1186=10, 4261/3.1=7...(15) HA VAL 18 - HB3 LEU 84 OK 23 81 - 29 - 6357=5, 3.0/45=3...(13) HB3 SER 44 - HB3 LEU 84 OK 16 100 - 15 - 4240/1.8=2, ~2872=2...(9) Peak 4248 from cnoeabs.peaks (1.90, 1.31, 41.31 ppm; 3.35 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LEU 84 + HB3 LEU 84 OK 100 100 - 100 - 1.8=100 HG LEU 84 + HB3 LEU 84 OK 92 92 - 100 - 3.0=100 HB2 ARG 81 + HB3 LEU 84 OK 50 100 - 50 - 3.0/6136=12, ~6135=5...(21) HB ILE 80 - HB3 LEU 84 OK 32 85 - 38 - ~7404=5, ~7402=5...(16) HB ILE 22 - HB3 LEU 84 OK 30 99 - 30 - 2.1/6436=6, 5479/4.3=4...(15) HB2 LEU 21 - HB3 LEU 84 OK 25 76 - 33 - 3.0/6407=3, 3.1/6416=3...(16) HB2 LYS 119 - HB3 LEU 84 OK 20 87 - 24 - 5205=3, 1.8/5215=2...(10) HB2 GLU 28 - HB3 LEU 84 OK 19 100 - 19 - 2310/4.0=3, 3.8/4246=2...(7) HB3 LYS 31 - HB3 LEU 84 lone 7 87 - 8 - 4.0/4246=1, 2415/4.0=1 HB VAL 50 - HB3 LEU 84 lone 5 87 - 6 - 2.1/8283=1 HB3 GLU 73 - HB3 LEU 84 lone 4 99 - 4 - HG LEU 58 - HB3 LEU 84 lone 4 60 - 6 - HG LEU 55 - HB3 LEU 84 lone 3 85 - 4 - HB3 MET 11 - HB3 LEU 84 lone 3 95 - 3 - HB2 ARG 92 - HB3 LEU 84 lone 2 65 - 3 - Peak 4249 from cnoeabs.peaks (1.31, 1.31, 41.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 84 + HB3 LEU 84 OK 100 100 - 100 Peak 4250 from cnoeabs.peaks (1.89, 1.31, 41.31 ppm; 3.35 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 84 + HB3 LEU 84 OK 100 100 - 100 - 3.0=100 HB2 LEU 84 + HB3 LEU 84 OK 92 92 - 100 - 1.8=100 HB2 ARG 81 - HB3 LEU 84 OK 41 83 - 49 - 3.0/6136=12, ~6135=5...(21) HB2 LYS 119 - HB3 LEU 84 OK 24 100 - 24 - 5205=4, 1.8/5215=2...(12) HB ILE 22 - HB3 LEU 84 OK 23 81 - 28 - 2.1/6436=6, 4.4/5765=4...(14) HB3 GLU 28 - HB3 LEU 84 OK 17 87 - 20 - 2316/4.0=2, 3.8/4246=2...(7) HB2 GLU 28 - HB3 LEU 84 OK 16 90 - 18 - 2310/4.0=3, 3.8/4246=2...(7) HB3 LYS 31 - HB3 LEU 84 lone 9 100 - 9 - 4.0/4246=1, 2415/4.0=1 HG3 PRO 68 - HB3 LEU 84 lone 7 87 - 8 - ~7232=2 HB VAL 50 - HB3 LEU 84 lone 6 100 - 6 - 2.1/8283=1 HB2 LEU 58 - HB3 LEU 84 lone 5 90 - 6 - HG LEU 55 - HB3 LEU 84 lone 4 100 - 4 - HB2 ARG 92 - HB3 LEU 84 lone 4 96 - 4 - HB3 LYS 109 - HB3 LEU 84 lone 4 78 - 4 - 415/4.3=1 HB3 GLU 73 - HB3 LEU 84 lone 2 76 - 3 - HB3 MET 11 - HB3 LEU 84 lone 2 63 - 2 - Peak 4251 from cnoeabs.peaks (0.14, 1.31, 41.31 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 84 + HB3 LEU 84 OK 100 100 - 100 - 3.1=100 QG1 VAL 110 + HB3 LEU 84 OK 51 100 - 51 - 4237/3.0=9, 4244/1.8=9...(13) QD2 LEU 51 - HB3 LEU 84 OK 23 83 - 28 - 4244/1.8=4, 4237/3.0=4...(10) Peak 4252 from cnoeabs.peaks (0.75, 1.31, 41.31 ppm; 3.73 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 84 + HB3 LEU 84 OK 100 100 - 100 - 3.1=100 HG LEU 111 - HB3 LEU 84 OK 38 100 - 38 - 4266/3.1=5, 4245/1.8=5...(12) QD2 LEU 111 - HB3 LEU 84 OK 33 92 - 36 - ~8164=4, 4266/3.1=4...(12) QD1 LEU 114 - HB3 LEU 84 OK 28 73 - 39 - ~7946=4, ~7232=4, 4270=3...(18) QG2 ILE 63 - HB3 LEU 84 OK 25 95 - 26 - 4245/1.8=3, 1189/4.0=3...(8) QD2 LEU 93 - HB3 LEU 84 OK 21 99 - 21 - 4238/3.0=3, 4266/3.1=3...(6) QD1 LEU 91 - HB3 LEU 84 OK 16 100 - 16 - 4266/3.1=2, 4238/3.0=2...(6) QG2 VAL 66 - HB3 LEU 84 lone 5 71 - 7 - Peak 4253 from cnoeabs.peaks (8.49, 1.89, 26.06 ppm; 4.08 A): 3 out of 9 assignments used, quality = 0.93: * H LEU 84 + HG LEU 84 OK 86 100 - 86 - 5.2=48, 1188/2.1=22...(14) H GLU 28 + HG LEU 84 OK 35 100 - 35 - 4260/2.1=5, 4267/2.1=5...(12) H LYS 31 + HG LEU 84 OK 22 100 - 22 - 894=4, 4260/2.1=3...(8) H PHE 40 - HG LEU 84 OK 20 99 - 20 - 4260/2.1=4, 4.5/7476=3...(7) H TYR 102 - HG LEU 84 OK 14 89 - 16 - 4260/2.1=4, 4267/2.1=2...(7) H LEU 77 - HG LEU 84 OK 14 93 - 15 - 4260/2.1=2, 4267/2.1=2...(6) H SER 13 - HG LEU 84 lone 7 100 - 7 - 4267/2.1=2, 4260/2.1=1 H GLY 2 - HG LEU 84 lone 5 99 - 5 - 4260/2.1=1 H GLU 38 - HG LEU 84 lone 5 71 - 6 - 4267/2.1=1, ~6709=1 Peak 4254 from cnoeabs.peaks (3.50, 1.89, 26.06 ppm; 4.42 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 84 + HG LEU 84 OK 100 100 - 100 - 4.3=100 HB2 PHE 96 + HG LEU 84 OK 66 92 - 72 - 4261/2.1=13, ~7478=12...(17) HB2 PHE 83 + HG LEU 84 OK 51 90 - 56 - ~7479=12, 4.5/4253=10...(11) HA VAL 18 - HG LEU 84 OK 16 81 - 19 - 6357/3.0=4, 4261/2.1=3...(7) HB3 SER 44 - HG LEU 84 OK 11 100 - 11 - 4247/3.0=2, 4261/2.1=2...(5) Peak 4255 from cnoeabs.peaks (1.90, 1.89, 26.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HG LEU 84 + HG LEU 84 OK 92 92 - 100 Reference assignment not found: HB2 LEU 84 - HG LEU 84 Peak 4256 from cnoeabs.peaks (1.31, 1.89, 26.06 ppm; 4.45 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 84 + HG LEU 84 OK 100 100 - 100 - 3.0=100 HG CYS 87 + HG LEU 84 OK 51 100 - 51 - ~7548=10, ~7547=10...(11) HG3 LYS 119 - HG LEU 84 OK 38 97 - 39 - 4263/2.1=4, 4270/2.1=3...(19) QG2 THR 23 - HG LEU 84 OK 37 99 - 37 - 4.0/5766=7, 4263/2.1=5...(13) QG2 THR 17 - HG LEU 84 OK 15 85 - 17 - 6340/4.3=4, 6336/2.1=3...(7) HG2 LYS 46 - HG LEU 84 OK 13 85 - 15 - 4263/2.1=2, ~4263=1...(5) HG3 LYS 46 - HG LEU 84 OK 13 85 - 15 - 4263/2.1=2, ~4263=1...(5) QB ALA 43 - HG LEU 84 lone 6 73 - 9 - 6816/5.2=1, 4235/4.3=1 HG LEU 54 - HG LEU 84 lone 4 60 - 6 - Peak 4257 from cnoeabs.peaks (1.89, 1.89, 26.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 84 + HG LEU 84 OK 100 100 - 100 Peak 4258 from cnoeabs.peaks (0.14, 1.89, 26.06 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 84 + HG LEU 84 OK 100 100 - 100 - 2.1=100 QG1 VAL 110 + HG LEU 84 OK 49 100 - 49 - 4272/2.1=9, 4251/3.0=8...(10) QD2 LEU 51 - HG LEU 84 OK 23 83 - 28 - 4251/3.0=4, 4272/2.1=4...(11) Peak 4259 from cnoeabs.peaks (0.75, 1.89, 26.06 ppm; 3.41 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 84 + HG LEU 84 OK 100 100 - 100 - 2.1=100 HG LEU 111 - HG LEU 84 OK 32 100 - 32 - 4266/2.1=5, ~8164=4...(11) QD2 LEU 111 - HG LEU 84 OK 28 92 - 30 - 4266/2.1=5, ~8164=4...(11) QD1 LEU 114 - HG LEU 84 OK 24 73 - 33 - ~7946=5, ~7232=4...(16) QG2 ILE 63 - HG LEU 84 OK 19 95 - 20 - 4266/2.1=3, 4252/3.0=2...(10) QD2 LEU 93 - HG LEU 84 OK 17 99 - 18 - 4266/2.1=3, 4.7/7476=2...(7) QD1 LEU 91 - HG LEU 84 OK 12 100 - 12 - 4266/2.1=2, 4252/3.0=1...(4) QG2 VAL 66 - HG LEU 84 lone 4 71 - 5 - Peak 4260 from cnoeabs.peaks (8.49, 0.14, 20.83 ppm; 4.13 A): 2 out of 9 assignments used, quality = 0.97: * H LEU 84 + QD2 LEU 84 OK 95 100 - 95 - 4.6=74, 2.9/4237=24...(15) H GLU 28 + QD2 LEU 84 OK 36 100 - 36 - 4253/2.1=6, 4267/2.1=5...(12) H TYR 102 - QD2 LEU 84 OK 27 89 - 31 - 4.9/7708=5, 4.6/7699=4...(11) H PHE 40 - QD2 LEU 84 OK 26 99 - 26 - 4.5/7479=6, 4253/2.1=3...(9) H LYS 31 - QD2 LEU 84 OK 19 100 - 18 - 4253/2.1=4, 4267/2.1=3...(6) H LEU 77 - QD2 LEU 84 OK 14 93 - 15 - 4253/2.1=2, 4267/2.1=2...(5) H SER 13 - QD2 LEU 84 lone 9 100 - 9 - 4267/2.1=2, 4253/2.1=1 H GLY 2 - QD2 LEU 84 lone 7 99 - 7 - H GLU 38 - QD2 LEU 84 lone 6 71 - 9 - 3.6/7491=1, ~6709=1, 4267/2.1=1 Peak 4261 from cnoeabs.peaks (3.50, 0.14, 20.83 ppm; 3.27 A): 3 out of 5 assignments used, quality = 0.95: * HA LEU 84 + QD2 LEU 84 OK 82 100 - 82 - 3.9=61, 2.9/1188=12...(21) HB2 PHE 96 + QD2 LEU 84 OK 53 92 - 57 - 3.6/7477=16, 2.4/7478=11...(16) HB2 PHE 83 + QD2 LEU 84 OK 40 90 - 45 - 2.5/7479=11, 4.5/1188=8...(11) HA VAL 18 - QD2 LEU 84 OK 10 81 - 13 - 6357/3.1=2, 3.2/7486=2...(5) HB3 SER 44 - QD2 LEU 84 lone 8 100 - 7 - 4247/3.1=1 Peak 4262 from cnoeabs.peaks (1.90, 0.14, 20.83 ppm; 3.32 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LEU 84 + QD2 LEU 84 OK 100 100 - 100 - 3.1=100 HG LEU 84 + QD2 LEU 84 OK 92 92 - 100 - 2.1=100 HB2 ARG 81 + QD2 LEU 84 OK 48 100 - 48 - 3.0/7434=9, ~6136=4...(18) HB ILE 80 - QD2 LEU 84 OK 38 85 - 45 - 2.1/7404=11, 3.2/8356=7...(11) HB ILE 22 - QD2 LEU 84 OK 22 99 - 22 - 4.4/5767=4, ~6436=3...(8) HB2 GLU 28 - QD2 LEU 84 OK 18 100 - 18 - 3.8/4260=2, 2310/4.6=2...(9) HB2 LEU 21 - QD2 LEU 84 OK 15 76 - 20 - 4244=2, 5975/3.9=2...(10) HB2 LYS 119 - QD2 LEU 84 OK 14 87 - 17 - 2.9/4263=2, 5205/3.1=2...(4) HB3 LYS 31 - QD2 LEU 84 lone 8 87 - 9 - 4.0/4260=1 HB VAL 50 - QD2 LEU 84 lone 6 87 - 7 - 4.5/1003=1, 2.1/6842=1 HB2 ARG 92 - QD2 LEU 84 lone 5 65 - 7 - 4.2/7479=3, 5.1/7479=1 HB3 GLU 73 - QD2 LEU 84 lone 4 99 - 4 - HG LEU 55 - QD2 LEU 84 lone 4 85 - 5 - HG LEU 58 - QD2 LEU 84 lone 4 60 - 6 - 2.1/7486=1 HB3 MET 11 - QD2 LEU 84 lone 2 95 - 2 - Peak 4263 from cnoeabs.peaks (1.31, 0.14, 20.83 ppm; 3.65 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 84 + QD2 LEU 84 OK 100 100 - 100 - 3.1=100 HG CYS 87 + QD2 LEU 84 OK 45 100 - 46 - 3.4/7548=10, 3.4/7547=9...(13) QG2 THR 23 - QD2 LEU 84 OK 27 99 - 27 - 4.0/5767=5, 4256/2.1=3...(11) HG3 LYS 119 - QD2 LEU 84 OK 23 97 - 23 - 4256/2.1=3, 4270/2.1=3...(7) QG2 THR 17 - QD2 LEU 84 OK 13 85 - 15 - 6340/3.9=3, 6336/2.1=2...(4) HG2 LYS 46 - QD2 LEU 84 poor 9 85 - 11 - 4256/2.1=1, 4270/2.1=1 HG3 LYS 46 - QD2 LEU 84 poor 9 85 - 11 - 4256/2.1=1, 4270/2.1=1 QB ALA 43 - QD2 LEU 84 lone 6 73 - 7 - HG LEU 54 - QD2 LEU 84 lone 3 60 - 5 - Peak 4264 from cnoeabs.peaks (1.89, 0.14, 20.83 ppm; 3.32 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 84 + QD2 LEU 84 OK 100 100 - 100 - 2.1=100 HB2 LEU 84 + QD2 LEU 84 OK 92 92 - 100 - 3.1=100 HB2 ARG 81 - QD2 LEU 84 OK 39 83 - 47 - 3.0/7434=9, ~6136=4...(18) HB2 LYS 119 - QD2 LEU 84 OK 18 100 - 18 - 2.9/4263=2, 5205/3.1=2...(4) HB ILE 22 - QD2 LEU 84 OK 17 81 - 21 - 4.4/5767=4, ~6436=3...(7) HB3 GLU 28 - QD2 LEU 84 OK 17 87 - 19 - 3.8/4260=2, 2316/4.6=2...(10) HB2 GLU 28 - QD2 LEU 84 OK 15 90 - 17 - 3.8/4260=2, 2310/4.6=2...(9) HG3 PRO 68 - QD2 LEU 84 OK 12 87 - 13 - 1.8/7232=3, 2.3/7487=2 HB3 LYS 31 - QD2 LEU 84 lone 9 100 - 9 - 4.0/4260=1 HB VAL 50 - QD2 LEU 84 lone 8 100 - 8 - 4.5/1003=1, 2.1/6842=1 HB2 ARG 92 - QD2 LEU 84 lone 8 96 - 8 - 4.2/7479=3, 5.1/7479=1 HB3 LYS 109 - QD2 LEU 84 lone 6 78 - 8 - 4.6/1335=3, 8449/4988=1 HB2 LEU 58 - QD2 LEU 84 lone 6 90 - 6 - 3.1/7486=1 HG LEU 55 - QD2 LEU 84 lone 5 100 - 5 - HB3 GLU 73 - QD2 LEU 84 lone 3 76 - 3 - HB3 MET 11 - QD2 LEU 84 lone 1 63 - 2 - Peak 4265 from cnoeabs.peaks (0.14, 0.14, 20.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 84 + QD2 LEU 84 OK 100 100 - 100 Peak 4266 from cnoeabs.peaks (0.75, 0.14, 20.83 ppm; 3.03 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 84 + QD2 LEU 84 OK 100 100 - 100 - 2.1=100 HG LEU 111 - QD2 LEU 84 OK 34 100 - 34 - 2.1/8164=4, 4259/2.1=4...(12) QD2 LEU 111 - QD2 LEU 84 OK 31 92 - 33 - 2.1/8164=4, 4.0/7916=3...(13) QD1 LEU 114 - QD2 LEU 84 OK 26 73 - 35 - 2.1/7946=8, 4272=5...(11) QG2 ILE 63 - QD2 LEU 84 OK 19 95 - 20 - 4259/2.1=2, 4252/3.1=2...(6) QD2 LEU 93 - QD2 LEU 84 OK 19 99 - 19 - 4.7/7479=2, 4259/2.1=2...(7) QD1 LEU 91 - QD2 LEU 84 OK 14 100 - 14 - 4259/2.1=1, 4252/3.1=1, 7947=1 QG2 VAL 66 - QD2 LEU 84 lone 5 71 - 8 - Peak 4267 from cnoeabs.peaks (8.49, 0.75, 25.87 ppm; 3.95 A): 2 out of 18 assignments used, quality = 0.93: * H LEU 84 + QD1 LEU 84 OK 90 100 - 90 - 4.6=65, 1188/2.1=21...(16) H GLU 28 + QD1 LEU 84 OK 30 100 - 30 - 4253/2.1=6, 4260/2.1=5...(11) H PHE 40 - QD1 LEU 84 OK 18 99 - 18 - 4260/2.1=4, 4253/2.1=3...(5) H LYS 31 - QD1 LEU 84 OK 16 100 - 16 - 4253/2.1=4, 4260/2.1=3...(5) H TYR 102 - QD1 LEU 84 OK 15 89 - 17 - 4260/2.1=4, 4253/2.1=2...(7) H LEU 84 - QD1 LEU 114 OK 12 66 - 18 - 1189=3, 4.0/4252=3...(7) H LEU 77 - QD1 LEU 84 OK 11 93 - 12 - 4253/2.1=2, 4260/2.1=2...(5) H SER 13 - QD1 LEU 84 lone 10 100 - 10 - 4.6/6294=2, 4260/2.1=1...(4) H GLU 38 - QD1 LEU 84 lone 6 71 - 9 - 3.0/6709=2 H GLY 2 - QD1 LEU 84 lone 5 99 - 5 - H TYR 102 - QD1 LEU 114 lone 2 52 - 5 - H GLU 28 - QD1 LEU 114 lone 2 65 - 3 - H PHE 40 - QD1 LEU 114 lone 2 63 - 3 - H GLU 38 - QD1 LEU 114 lone 2 39 - 4 - H LEU 77 - QD1 LEU 114 lone 1 56 - 2 - H LYS 31 - QD1 LEU 114 lone 1 66 - 2 - H SER 13 - QD1 LEU 114 lone 1 64 - 2 - H GLY 2 - QD1 LEU 114 lone 1 62 - 1 - Peak 4268 from cnoeabs.peaks (3.50, 0.75, 25.87 ppm; 4.05 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 84 + QD1 LEU 84 OK 100 100 - 100 - 3.9=100 HB2 PHE 96 + QD1 LEU 84 OK 64 92 - 69 - 4261/2.1=12, 2.4/4713=12...(16) HB2 PHE 83 + QD1 LEU 84 OK 50 90 - 55 - ~7479=10, 4.5/1189=9...(12) HA LEU 84 - QD1 LEU 114 OK 18 66 - 27 - 4238=4, 3.0/4252=3...(10) HA VAL 18 - QD1 LEU 84 OK 14 81 - 17 - 6357/3.1=3, 4261/2.1=2...(7) HB3 SER 44 - QD1 LEU 84 OK 11 100 - 11 - 4247/3.1=2, 4261/2.1=2...(5) HB2 PHE 96 - QD1 LEU 114 poor 9 55 - 17 - 2.4/4713=5, 4.4/4724=4 HB2 PHE 83 - QD1 LEU 114 lone 3 53 - 6 - ~8354=1, 4.5/1189=1 HA VAL 18 - QD1 LEU 114 lone 2 46 - 4 - HB3 SER 44 - QD1 LEU 114 lone 1 65 - 2 - Peak 4269 from cnoeabs.peaks (1.90, 0.75, 25.87 ppm; 3.05 A): 2 out of 30 assignments used, quality = 1.00: * HB2 LEU 84 + QD1 LEU 84 OK 94 100 - 94 - 3.1=92, ~4237=6...(7) HG LEU 84 + QD1 LEU 84 OK 92 92 - 100 - 2.1=100 HB2 ARG 81 - QD1 LEU 84 OK 44 100 - 45 - 3.0/7433=7, ~7434=4...(19) HB ILE 80 - QD1 LEU 84 OK 35 85 - 41 - 2.1/7402=10, ~7404=5...(10) HB ILE 22 - QD1 LEU 84 OK 17 99 - 17 - 4.4/5768=2, ~6436=2...(6) HB2 LEU 84 - QD1 LEU 114 OK 17 66 - 25 - 1.8/4252=3, ~7946=3...(10) HB2 GLU 28 - QD1 LEU 84 OK 15 100 - 15 - 3.8/4267=2, 2310/4.6=2...(5) HG LEU 84 - QD1 LEU 114 OK 15 55 - 28 - ~7946=4, 4259=3...(10) HB2 LYS 119 - QD1 LEU 84 OK 14 87 - 16 - 2.9/4270=2, 5205/3.1=2...(6) HB2 LEU 21 - QD1 LEU 84 OK 12 76 - 16 - 4244/2.1=2, 5975/3.9=2...(5) HB ILE 80 - QD1 LEU 114 poor 9 49 - 19 - 2.1/8357=2, ~4081=2...(8) HG LEU 55 - QD1 LEU 114 poor 7 49 - 14 - 3246/2.1=1, ~5082=1...(4) HB3 LYS 31 - QD1 LEU 84 lone 6 87 - 7 - HB VAL 50 - QD1 LEU 84 lone 4 87 - 5 - HB2 ARG 92 - QD1 LEU 84 lone 4 65 - 6 - 4.2/7481=2 HB3 GLU 73 - QD1 LEU 84 lone 4 99 - 4 - HB ILE 22 - QD1 LEU 114 lone 3 64 - 5 - 2152/2.1=1 HB2 ARG 92 - QD1 LEU 114 lone 3 36 - 10 - 4.2/7481=1, 3.6/449=1 HG LEU 55 - QD1 LEU 84 lone 3 85 - 4 - HB2 LEU 21 - QD1 LEU 114 lone 3 42 - 7 - ~6411=1 HG LEU 58 - QD1 LEU 84 lone 3 60 - 4 - HB2 ARG 81 - QD1 LEU 114 lone 3 64 - 4 - HB3 MET 11 - QD1 LEU 84 lone 2 95 - 2 - HB2 LYS 119 - QD1 LEU 114 lone 2 51 - 4 - HG LEU 58 - QD1 LEU 114 lone 1 32 - 4 - HB3 MET 11 - QD1 LEU 114 lone 1 57 - 2 - HB3 GLU 73 - QD1 LEU 114 lone 1 62 - 2 - HB2 GLU 28 - QD1 LEU 114 lone 1 66 - 1 - HB VAL 50 - QD1 LEU 114 lone 1 51 - 2 - HB3 LYS 31 - QD1 LEU 114 lone 1 51 - 1 - Peak 4270 from cnoeabs.peaks (1.31, 0.75, 25.87 ppm; 3.27 A): 1 out of 18 assignments used, quality = 1.00: * HB3 LEU 84 + QD1 LEU 84 OK 100 100 - 100 - 3.1=100 HG CYS 87 - QD1 LEU 84 OK 36 100 - 36 - 4263/2.1=5, ~7548=5...(13) QG2 THR 23 - QD1 LEU 84 OK 20 99 - 21 - 4263/2.1=3, 4.0/5768=3...(10) HG3 LYS 119 - QD1 LEU 84 OK 20 97 - 21 - 4263/2.1=3, 4256/2.1=3...(7) HB3 LEU 84 - QD1 LEU 114 OK 20 66 - 30 - 4252=4, ~7946=3, ~7232=3...(12) HG2 LYS 46 - QD1 LEU 114 OK 14 49 - 28 - ~7959=4, 7942/3.1=3...(9) HG3 LYS 46 - QD1 LEU 114 OK 14 49 - 28 - ~7959=4, 7942/3.1=3...(9) QG2 THR 17 - QD1 LEU 84 poor 10 85 - 11 - 6340/3.9=2, 6336=2, 4263/2.1=2 QG2 THR 17 - QD1 LEU 114 poor 9 49 - 19 - 6336=6, 6338/2.1=4...(6) HG2 LYS 46 - QD1 LEU 84 lone 7 85 - 8 - 4263/2.1=1 HG3 LYS 46 - QD1 LEU 84 lone 7 85 - 8 - 4263/2.1=1 HG LEU 54 - QD1 LEU 114 poor 6 32 - 19 - ~6985=2, ~5090=2...(11) HG CYS 87 - QD1 LEU 114 lone 4 65 - 6 - QB ALA 43 - QD1 LEU 84 lone 3 73 - 4 - QB ALA 43 - QD1 LEU 114 lone 3 41 - 7 - 7942/3.1=1 HG3 LYS 119 - QD1 LEU 114 lone 3 61 - 4 - HG LEU 54 - QD1 LEU 84 lone 2 60 - 3 - QG2 THR 23 - QD1 LEU 114 lone 2 63 - 3 - Peak 4271 from cnoeabs.peaks (1.89, 0.75, 25.87 ppm; 3.05 A): 2 out of 32 assignments used, quality = 1.00: * HG LEU 84 + QD1 LEU 84 OK 100 100 - 100 - 2.1=100 HB2 LEU 84 + QD1 LEU 84 OK 86 92 - 94 - 3.1=92, ~4237=6...(7) HB2 ARG 81 - QD1 LEU 84 OK 36 83 - 44 - 3.0/7433=7, ~7434=4...(19) HG LEU 84 - QD1 LEU 114 OK 19 66 - 28 - ~7946=4, 4259=4...(11) HB2 LYS 119 - QD1 LEU 84 OK 17 100 - 17 - 5205/3.1=2, 2.9/4270=2...(6) HB3 GLU 28 - QD1 LEU 84 OK 14 87 - 17 - 3.8/4267=2, 2316/4.6=2...(6) HB2 LEU 84 - QD1 LEU 114 OK 14 55 - 25 - 1.8/4252=3, ~7946=3...(10) HB2 GLU 28 - QD1 LEU 84 OK 13 90 - 15 - 3.8/4267=2, 2310/4.6=2...(5) HB ILE 22 - QD1 LEU 84 OK 13 81 - 16 - 4.4/5768=2, ~6436=2...(6) HG3 PRO 68 - QD1 LEU 114 OK 11 51 - 21 - ~7958=3, 3246/2.1=2...(10) HG LEU 55 - QD1 LEU 114 poor 10 65 - 15 - 3246/2.1=2, ~5082=1...(4) HG3 PRO 68 - QD1 LEU 84 lone 8 87 - 9 - ~7232=2, ~7487=1 HB3 LYS 31 - QD1 LEU 84 lone 8 100 - 7 - HB2 ARG 92 - QD1 LEU 114 poor 6 59 - 11 - 4.2/7481=1, 3.6/449=1...(4) HB2 ARG 92 - QD1 LEU 84 lone 6 96 - 6 - 4.2/7481=2 HB VAL 50 - QD1 LEU 84 lone 5 100 - 5 - HB2 LEU 58 - QD1 LEU 84 lone 4 90 - 5 - HG LEU 55 - QD1 LEU 84 lone 4 100 - 4 - HB2 LEU 58 - QD1 LEU 114 lone 4 53 - 7 - 7056/2.1=2, ~5087=1 HB2 LYS 119 - QD1 LEU 114 lone 3 65 - 4 - HB3 GLU 73 - QD1 LEU 84 lone 2 76 - 3 - HB ILE 22 - QD1 LEU 114 lone 2 46 - 5 - HB3 LYS 109 - QD1 LEU 84 lone 2 78 - 2 - HB2 ARG 81 - QD1 LEU 114 lone 2 47 - 4 - HB VAL 50 - QD1 LEU 114 lone 1 65 - 2 - HB3 MET 11 - QD1 LEU 84 lone 1 63 - 2 - HB3 LYS 31 - QD1 LEU 114 lone 1 65 - 1 - HB3 GLU 28 - QD1 LEU 114 lone 1 51 - 1 - HB3 LYS 109 - QD1 LEU 114 lone 1 44 - 2 - HB2 GLU 28 - QD1 LEU 114 lone 1 53 - 1 - HB3 MET 11 - QD1 LEU 114 lone 1 34 - 2 - HB3 GLU 73 - QD1 LEU 114 lone 1 42 - 1 - Peak 4272 from cnoeabs.peaks (0.14, 0.75, 25.87 ppm; 3.03 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 84 + QD1 LEU 84 OK 100 100 - 100 - 2.1=100 QG1 VAL 110 - QD1 LEU 84 OK 42 100 - 42 - 7875=6, 4258/2.1=6...(12) QD2 LEU 84 - QD1 LEU 114 OK 22 66 - 34 - 7946/2.1=7, 4266=5...(11) QG1 VAL 110 - QD1 LEU 114 OK 22 66 - 33 - 7946/2.1=9, 7875=8...(7) QD2 LEU 51 - QD1 LEU 84 OK 17 83 - 21 - 4258/2.1=3, 4251/3.1=2...(7) QD2 LEU 51 - QD1 LEU 114 poor 9 47 - 20 - 7946/2.1=9, 6928=5...(4) Peak 4273 from cnoeabs.peaks (0.75, 0.75, 25.87 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 84 + QD1 LEU 84 OK 100 100 - 100 QD1 LEU 114 - QD1 LEU 114 OK 41 41 - 100 Peak 4274 from cnoeabs.peaks (8.75, 3.93, 58.86 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 85 + HA ARG 85 OK 100 100 - 100 - 3.0=100 H THR 23 + HA ARG 85 OK 48 100 - 48 - 856=11, 418/3.6=7...(15) H GLU 15 - HA ARG 85 lone 6 76 - 8 - 418/3.6=2, 5763/4.8=1 Peak 4275 from cnoeabs.peaks (3.93, 3.93, 58.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 85 + HA ARG 85 OK 100 100 - 100 Peak 4276 from cnoeabs.peaks (1.95, 3.93, 58.86 ppm; 3.19 A): 2 out of 15 assignments used, quality = 1.00: HB3 ARG 85 + HA ARG 85 OK 100 100 - 100 - 3.0=100 * HB2 ARG 85 + HA ARG 85 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 - HA ARG 85 OK 25 97 - 26 - 2.9/4278=3, 4.7/4280=2...(12) HB2 GLU 38 - HA ARG 85 lone 8 99 - 8 - HB3 GLU 94 - HA ARG 85 lone 8 99 - 8 - 4.0/5769=1 HB2 LEU 21 - HA ARG 85 lone 8 81 - 9 - 4.6/6156=3, 421/3.6=1...(4) HG LEU 58 - HA ARG 85 lone 7 92 - 8 - 3.0/4278=1 HB3 LYS 119 - HA ARG 85 lone 5 100 - 5 - 1193/3.0=1 HB3 PRO 30 - HA ARG 85 lone 4 100 - 4 - HB2 GLU 64 - HA ARG 85 lone 3 97 - 3 - HB3 GLU 64 - HA ARG 85 lone 3 96 - 3 - HB3 GLU 69 - HA ARG 85 lone 2 100 - 2 - HG LEU 45 - HA ARG 85 lone 2 73 - 2 - HB ILE 80 - HA ARG 85 lone 1 71 - 2 - HB2 ARG 71 - HA ARG 85 lone 1 68 - 1 - Peak 4277 from cnoeabs.peaks (1.95, 3.93, 58.86 ppm; 3.19 A): 2 out of 15 assignments used, quality = 1.00: * HB3 ARG 85 + HA ARG 85 OK 100 100 - 100 - 3.0=100 HB2 ARG 85 + HA ARG 85 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 - HA ARG 85 OK 25 97 - 26 - 2.9/4278=3, 4.7/4280=2...(12) HB2 GLU 38 - HA ARG 85 lone 8 99 - 8 - HB3 GLU 94 - HA ARG 85 lone 8 99 - 8 - 4.0/5769=1 HB2 LEU 21 - HA ARG 85 lone 8 81 - 9 - 4.6/6156=3, 421/3.6=1...(4) HG LEU 58 - HA ARG 85 lone 7 92 - 8 - 3.0/4278=1 HB3 LYS 119 - HA ARG 85 lone 5 100 - 5 - 1193/3.0=1 HB3 PRO 30 - HA ARG 85 lone 4 100 - 4 - HB2 GLU 64 - HA ARG 85 lone 3 97 - 3 - HB3 GLU 64 - HA ARG 85 lone 3 96 - 3 - HB3 GLU 69 - HA ARG 85 lone 2 100 - 2 - HG LEU 45 - HA ARG 85 lone 2 73 - 2 - HB ILE 80 - HA ARG 85 lone 1 71 - 2 - HB2 ARG 71 - HA ARG 85 lone 1 68 - 1 - Peak 4278 from cnoeabs.peaks (1.50, 3.93, 58.86 ppm; 3.82 A): 2 out of 9 assignments used, quality = 0.95: * HG2 ARG 85 + HA ARG 85 OK 93 100 - 93 - 4.1=79, 1.8/4279=20...(13) HG2 LYS 109 + HA ARG 85 OK 32 87 - 37 - 3.5/4280=5, 3.5/4280=5...(16) HB2 LEU 24 - HA ARG 85 OK 14 99 - 14 - 3.9/80=3, 1194/3.0=2...(5) HB3 LEU 114 - HA ARG 85 OK 14 100 - 14 - 4.0/6158=2, 1194/3.0=2...(4) HB3 LEU 58 - HA ARG 85 OK 13 97 - 13 - 1194/3.0=2, 4310/4.1=1...(5) HG LEU 93 - HA ARG 85 OK 10 99 - 10 - 422/3.6=3, ~417=2, 1194/3.0=1 HG3 ARG 92 - HA ARG 85 lone 9 97 - 9 - 4.9/6158=1, 1194/3.0=1 HG2 ARG 92 - HA ARG 85 lone 9 96 - 9 - 4.9/6158=1 HG LEU 91 - HA ARG 85 lone 7 98 - 8 - 422/3.6=2, ~417=1, 1194/3.0=1 Peak 4279 from cnoeabs.peaks (1.65, 3.93, 58.86 ppm; 3.65 A): 5 out of 11 assignments used, quality = 0.94: * HG3 ARG 85 + HA ARG 85 OK 87 100 - 87 - 4.1=69, 1.8/4278=16...(12) HB ILE 34 + HA ARG 85 OK 24 100 - 24 - 1195/3.0=3, 4303/4.1=2...(15) HG LEU 51 + HA ARG 85 OK 15 97 - 16 - 1195/3.0=2, ~416=2...(8) HB3 LEU 41 + HA ARG 85 OK 12 97 - 13 - 4.1/5769=2, 2791/3.6=2...(4) HG LEU 27 + HA ARG 85 OK 11 99 - 12 - 1195/3.0=2, 423/3.6=2 HB3 GLN 42 - HA ARG 85 lone 7 98 - 7 - 4.6/958=1 HB2 LEU 59 - HA ARG 85 lone 6 81 - 8 - 4.8/4281=2 HB3 LYS 32 - HA ARG 85 lone 3 99 - 3 - HD3 LYS 31 - HA ARG 85 lone 3 73 - 4 - HD2 LYS 31 - HA ARG 85 lone 3 73 - 4 - HG LEU 101 - HA ARG 85 lone 2 68 - 3 - Peak 4280 from cnoeabs.peaks (3.04, 3.93, 58.86 ppm; 4.55 A): 3 out of 4 assignments used, quality = 0.96: * HD2 ARG 85 + HA ARG 85 OK 89 100 - 89 - 5.4=59, 1.8/4281=25...(12) HE2 LYS 109 + HA ARG 85 OK 44 97 - 45 - 4312/4.1=7, 3.5/4278=5...(18) HE3 LYS 109 + HA ARG 85 OK 44 97 - 45 - 4312/4.1=7, 3.5/4278=5...(18) HB2 TYR 102 - HA ARG 85 lone 8 100 - 8 - 4312/4.1=1 Peak 4281 from cnoeabs.peaks (3.33, 3.93, 58.86 ppm; 4.65 A): 4 out of 4 assignments used, quality = 0.94: * HD3 ARG 85 + HA ARG 85 OK 90 100 - 90 - 5.4=63, 3.0/4279=21...(12) HD3 PRO 60 + HA ARG 85 OK 18 100 - 18 - 4305/4.1=3, 4313/4.1=3...(8) HB3 PHE 40 + HA ARG 85 OK 17 89 - 19 - 4313/4.1=3, 4.7/5769=3...(8) HD2 ARG 57 + HA ARG 85 OK 11 87 - 12 - 4305/4.1=3, 4313/4.1=3...(6) Peak 4282 from cnoeabs.peaks (8.75, 1.95, 29.17 ppm; 3.87 A): 2 out of 12 assignments used, quality = 1.00: * H ARG 85 + HB2 ARG 85 OK 95 100 - 95 - 4.0=89, 1192/1.8=16...(10) H ARG 85 + HB3 ARG 85 OK 95 100 - 95 - 4.0=89, 1192/1.8=16...(10) H THR 23 - HB2 ARG 85 OK 34 100 - 34 - 4274/3.0=10, 418/4.7=6...(11) H THR 23 - HB3 ARG 85 OK 34 100 - 34 - 4274/3.0=10, 418/4.7=6...(11) H GLU 15 - HB2 GLU 38 OK 10 74 - 14 - 3.7/6308=5, 809/3.0=2...(4) H ARG 85 - HB2 GLU 38 lone 9 99 - 9 - 1193=1, 3.0/4277=1 H GLU 15 - HB2 ARG 85 lone 6 76 - 7 - 418/4.7=1, 4274/3.0=1 H GLU 15 - HB3 ARG 85 lone 6 76 - 7 - 418/4.7=1, 4274/3.0=1 H THR 23 - HB2 GLU 38 lone 6 99 - 6 - 1438/4.4=2 H ARG 85 - HB3 GLU 94 lone 5 58 - 8 - 1488/4.0=2, 1193=1 H THR 23 - HB3 GLU 94 lone 1 57 - 1 - H GLU 15 - HB3 GLU 94 lone 1 37 - 2 - Peak 4283 from cnoeabs.peaks (3.93, 1.95, 29.17 ppm; 4.15 A): 4 out of 52 assignments used, quality = 1.00: * HA ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.0=100 HA ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.0=100 HA THR 23 + HB3 ARG 85 OK 45 100 - 46 - 2182/4.0=9, ~4274=5...(18) HA THR 23 + HB2 ARG 85 OK 45 100 - 46 - 2182/4.0=9, ~4274=5...(18) HA ILE 34 - HB2 ARG 85 OK 19 63 - 30 - 4.1/6648=3, 4307/3.0=2...(17) HA ILE 34 - HB3 ARG 85 OK 19 63 - 30 - 4.1/6648=3, 4307/3.0=2...(17) HA ARG 85 - HB2 GLU 38 OK 15 99 - 15 - 4276=1, 3.6/421=1...(7) HD3 PRO 68 - HB3 GLU 94 OK 13 45 - 28 - ~4522=2, ~4521=1...(9) HD2 PRO 68 - HB3 GLU 94 OK 12 43 - 28 - ~4522=2, ~4521=1...(9) HA2 GLY 25 - HB2 ARG 85 OK 12 100 - 12 - ~85=2, 1191/4.0=2...(7) HA2 GLY 25 - HB3 ARG 85 OK 12 100 - 12 - ~85=2, 1191/4.0=2...(7) HB THR 62 - HB3 ARG 85 OK 12 89 - 13 - 419/4.7=5, ~3496=2...(5) HB THR 62 - HB2 ARG 85 OK 12 89 - 13 - 419/4.7=5, ~3496=2...(5) HD3 PRO 68 - HB3 ARG 85 poor 10 89 - 11 - 4307/3.0=1, 4299/3.0=1 HD3 PRO 68 - HB2 ARG 85 poor 10 89 - 11 - 4307/3.0=1, 4299/3.0=1 HA ALA 43 - HB2 ARG 85 lone 9 97 - 9 - 4307/3.0=1, 4299/3.0=1 HA ALA 43 - HB3 ARG 85 lone 9 97 - 9 - 4307/3.0=1, 4299/3.0=1 HD2 PRO 68 - HB2 ARG 85 poor 9 85 - 11 - 4307/3.0=1, 4299/3.0=1 HD2 PRO 68 - HB3 ARG 85 poor 9 85 - 11 - 4307/3.0=1, 4299/3.0=1 HA ARG 85 - HB3 GLU 94 poor 8 58 - 14 - 5769/4.0=2, 3.6/420=1...(4) HA SER 74 - HB2 GLU 38 lone 8 87 - 9 - 6086/3.8=3, 6091/4.4=2 HD3 PRO 68 - HB2 GLU 38 lone 6 87 - 6 - HD2 PRO 68 - HB2 GLU 38 lone 5 83 - 6 - HA THR 23 - HB2 GLU 38 lone 5 99 - 5 - 5484/4.4=1, 3.6/5549=1 HA ILE 34 - HB2 GLU 38 lone 4 61 - 7 - ~6636=2, 4.1/6648=1, ~6007=1 HA3 GLY 125 - HB3 ARG 85 lone 4 81 - 5 - HA2 GLY 125 - HB2 ARG 85 lone 4 81 - 5 - HA2 GLY 125 - HB3 ARG 85 lone 4 81 - 5 - HA3 GLY 125 - HB2 ARG 85 lone 4 81 - 5 - HA SER 74 - HB2 ARG 85 lone 3 89 - 4 - HA SER 74 - HB3 ARG 85 lone 3 89 - 4 - HB THR 62 - HB2 GLU 38 lone 2 87 - 2 - HA2 GLY 25 - HB2 GLU 38 lone 2 99 - 2 - HA3 GLY 2 - HB2 ARG 85 lone 1 63 - 2 - HA2 GLY 2 - HB2 ARG 85 lone 1 63 - 2 - HA3 GLY 2 - HB3 ARG 85 lone 1 63 - 2 - HA2 GLY 2 - HB3 ARG 85 lone 1 63 - 2 - HA ALA 43 - HB2 GLU 38 lone 1 95 - 1 - HA ALA 43 - HB3 GLU 94 lone 1 52 - 2 - HA3 GLY 125 - HB2 GLU 38 lone 1 78 - 1 - HA2 GLY 125 - HB2 GLU 38 lone 1 78 - 1 - HB THR 62 - HB3 GLU 94 lone 1 45 - 2 - HA THR 23 - HB3 GLU 94 lone 1 57 - 1 - HA3 GLY 2 - HB2 GLU 38 lone 1 61 - 1 - HA2 GLY 2 - HB2 GLU 38 lone 1 61 - 1 - HA SER 74 - HB3 GLU 94 lone 0 45 - 1 - HA2 GLY 25 - HB3 GLU 94 lone 0 57 - 1 - HA ILE 34 - HB3 GLU 94 lone 0 29 - 2 - HA3 GLY 125 - HB3 GLU 94 lone 0 40 - 1 - HA2 GLY 125 - HB3 GLU 94 lone 0 40 - 1 - HA2 GLY 2 - HB3 GLU 94 lone 0 29 - 1 - HA3 GLY 2 - HB3 GLU 94 lone 0 29 - 1 - Peak 4284 from cnoeabs.peaks (1.95, 1.95, 29.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 * HB2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 HB2 GLU 38 + HB2 GLU 38 OK 98 98 - 100 HB3 GLU 94 + HB3 GLU 94 OK 56 56 - 100 Peak 4285 from cnoeabs.peaks (1.95, 1.95, 29.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 HB2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 HB2 GLU 38 + HB2 GLU 38 OK 98 98 - 100 HB3 GLU 94 + HB3 GLU 94 OK 56 56 - 100 Reference assignment not found: HB3 ARG 85 - HB2 ARG 85 Peak 4286 from cnoeabs.peaks (1.50, 1.95, 29.17 ppm; 3.81 A): 4 out of 36 assignments used, quality = 1.00: * HG2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.0=100 HG2 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 109 + HB2 ARG 85 OK 50 87 - 58 - 4310/3.0=6, 4326/3.9=5...(31) HG2 LYS 109 + HB3 ARG 85 OK 50 87 - 58 - 4310/3.0=6, 4326/3.9=5...(31) HB3 LEU 58 - HB3 ARG 85 OK 24 97 - 24 - 4310/3.0=2, 4278/3.0=2...(7) HB3 LEU 58 - HB2 ARG 85 OK 24 97 - 24 - 4310/3.0=2, 4278/3.0=2...(7) HB2 LEU 24 - HB2 ARG 85 OK 18 99 - 18 - 4278/3.0=2, 1194/4.0=2...(7) HB2 LEU 24 - HB3 ARG 85 OK 18 99 - 18 - 4278/3.0=2, 1194/4.0=2...(7) HG LEU 93 - HB2 GLU 38 OK 17 98 - 17 - ~6709=2, 5804/3.8=2...(5) HG2 ARG 85 - HB2 GLU 38 OK 16 99 - 16 - ~6007=2, 4301=1...(7) HB3 LEU 114 - HB2 ARG 85 OK 15 100 - 15 - 4278/3.0=2, 4310/3.0=2...(6) HB3 LEU 114 - HB3 ARG 85 OK 15 100 - 15 - 4278/3.0=2, 4310/3.0=2...(6) HB3 LEU 114 - HB3 GLU 94 OK 13 57 - 22 - 5074/1.8=2, 5071/2.9=2...(8) HG LEU 93 - HB3 GLU 94 OK 12 56 - 22 - 462/4.0=6, 4.3/7598=2...(9) HB3 LEU 58 - HB3 GLU 94 OK 11 52 - 22 - 462/4.0=2, 3362/2.9=2...(8) HG LEU 91 - HB2 GLU 38 OK 11 97 - 11 - ~6709=1, ~7588=1, ~7587=1 HG3 ARG 92 - HB3 ARG 85 OK 11 97 - 11 - 4326/3.9=1, 4278/3.0=1...(4) HG3 ARG 92 - HB2 ARG 85 OK 11 97 - 11 - 4326/3.9=1, 4278/3.0=1...(4) HG LEU 93 - HB3 ARG 85 OK 11 99 - 11 - 422/4.7=2, 4278/3.0=1 HG LEU 93 - HB2 ARG 85 OK 11 99 - 11 - 422/4.7=2, 4278/3.0=1 HG2 ARG 92 - HB3 ARG 85 OK 10 96 - 11 - 4326/3.9=1, 4310/3.0=1...(4) HG2 ARG 92 - HB2 ARG 85 OK 10 96 - 11 - 4326/3.9=1, 4310/3.0=1...(4) HB2 LEU 24 - HB2 GLU 38 lone 9 97 - 9 - 2201/4.4=2, ~6467=1 HB3 LEU 114 - HB2 GLU 38 lone 8 99 - 8 - 5072/1.8=1 HG LEU 91 - HB3 ARG 85 lone 8 98 - 8 - 422/4.7=1, 4278/3.0=1 HG LEU 91 - HB2 ARG 85 lone 8 98 - 8 - 422/4.7=1, 4278/3.0=1 HG2 ARG 85 - HB3 GLU 94 poor 7 58 - 12 - 5772/4.0=2, 4300=1 HB3 LEU 58 - HB2 GLU 38 lone 7 95 - 7 - HG2 LYS 109 - HB2 GLU 38 lone 5 85 - 6 - HG LEU 91 - HB3 GLU 94 lone 4 54 - 7 - 462/4.0=3 HG2 LYS 109 - HB3 GLU 94 lone 1 44 - 3 - HG3 ARG 92 - HB2 GLU 38 lone 1 96 - 1 - HG2 ARG 92 - HB2 GLU 38 lone 1 94 - 1 - HG3 ARG 92 - HB3 GLU 94 lone 1 53 - 2 - HG2 ARG 92 - HB3 GLU 94 lone 1 51 - 2 - HB2 LEU 24 - HB3 GLU 94 lone 1 55 - 2 - Peak 4287 from cnoeabs.peaks (1.65, 1.95, 29.17 ppm; 3.89 A): 2 out of 44 assignments used, quality = 1.00: * HG3 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.0=100 HG3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.0=100 HB ILE 34 - HB3 ARG 85 OK 39 100 - 39 - 4279/3.0=4, 4303/3.0=4...(19) HB ILE 34 - HB2 ARG 85 OK 39 100 - 39 - 4279/3.0=4, 4303/3.0=4...(19) HB3 LEU 41 - HB2 GLU 38 OK 29 95 - 31 - 6007/3.0=9, ~6005=7...(9) HG LEU 51 - HB2 ARG 85 OK 25 97 - 26 - 4279/3.0=3, 4303/3.0=3...(15) HG LEU 51 - HB3 ARG 85 OK 25 97 - 26 - 4279/3.0=3, 4303/3.0=3...(15) HG LEU 27 - HB3 ARG 85 OK 20 99 - 20 - 1195/4.0=2, 4279/3.0=2...(11) HG LEU 27 - HB2 ARG 85 OK 20 99 - 20 - 1195/4.0=2, 4279/3.0=2...(11) HB3 LEU 41 - HB2 ARG 85 OK 19 97 - 19 - 4279/3.0=2, 4303/3.0=2...(9) HB3 LEU 41 - HB3 ARG 85 OK 19 97 - 19 - 4279/3.0=2, 4303/3.0=2...(9) HG3 ARG 85 - HB2 GLU 38 OK 18 99 - 18 - 6007/3.0=3, 4308=2...(7) HG LEU 27 - HB2 GLU 38 OK 12 98 - 13 - 6007/3.0=4, ~6708=2, 5502/3.8=1 HB3 GLN 42 - HB2 GLU 38 OK 11 97 - 11 - 6007/3.0=3, ~6708=2, ~6007=1 HB3 GLN 42 - HB2 ARG 85 OK 10 98 - 11 - 4279/3.0=1 HB3 GLN 42 - HB3 ARG 85 OK 10 98 - 11 - 4279/3.0=1 HB ILE 34 - HB2 GLU 38 lone 9 99 - 10 - ~6636=2, 6007/3.0=2, 3.2/6648=1 HB2 LEU 59 - HB2 ARG 85 poor 9 81 - 11 - 4327/3.9=1, 4303/3.0=1...(4) HB2 LEU 59 - HB3 ARG 85 poor 9 81 - 11 - 4327/3.9=1, 4303/3.0=1...(4) HG3 ARG 85 - HB3 GLU 94 poor 7 58 - 13 - 4309=1, 5773/4.0=1, ~4521=1 HB3 LYS 32 - HB2 GLU 38 lone 7 98 - 7 - 5528/4.4=2, 6007/3.0=1 HB3 LYS 32 - HB2 ARG 85 lone 6 99 - 6 - HB3 LYS 32 - HB3 ARG 85 lone 6 99 - 6 - HB3 LEU 41 - HB3 GLU 94 poor 6 52 - 12 - 2791/4.0=2, 2793/1.8=1 HG LEU 101 - HB3 ARG 85 lone 5 68 - 7 - HG LEU 101 - HB2 ARG 85 lone 5 68 - 7 - HD2 LYS 31 - HB2 ARG 85 lone 4 73 - 5 - HD3 LYS 31 - HB3 ARG 85 lone 4 73 - 5 - HD2 LYS 31 - HB3 ARG 85 lone 4 73 - 5 - HD3 LYS 31 - HB2 ARG 85 lone 4 73 - 5 - HG LEU 51 - HB2 GLU 38 lone 3 95 - 3 - HB2 LEU 59 - HB2 GLU 38 lone 2 78 - 3 - HG LEU 101 - HB2 GLU 38 lone 2 66 - 4 - HG LEU 51 - HB3 GLU 94 lone 2 52 - 5 - 3088/4.7=2 HD3 LYS 31 - HB2 GLU 38 lone 2 71 - 3 - HD2 LYS 31 - HB2 GLU 38 lone 2 71 - 3 - HG LEU 27 - HB3 GLU 94 lone 1 55 - 2 - HB ILE 34 - HB3 GLU 94 lone 1 57 - 2 - HB3 GLN 42 - HB3 GLU 94 lone 1 54 - 2 - HG LEU 101 - HB3 GLU 94 lone 1 32 - 3 - HB2 LEU 59 - HB3 GLU 94 lone 1 40 - 2 - HB3 LYS 32 - HB3 GLU 94 lone 1 56 - 1 - HD3 LYS 31 - HB3 GLU 94 lone 0 35 - 1 - HD2 LYS 31 - HB3 GLU 94 lone 0 35 - 1 - Peak 4288 from cnoeabs.peaks (3.04, 1.95, 29.17 ppm; 4.53 A): 6 out of 16 assignments used, quality = 1.00: HD2 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.9=100 * HD2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.9=100 HE2 LYS 109 + HB2 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HE3 LYS 109 + HB3 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HE3 LYS 109 + HB2 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HE2 LYS 109 + HB3 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HB2 TYR 102 - HB3 ARG 85 OK 13 100 - 12 - 4312/3.0=2, 4328/3.9=1...(5) HB2 TYR 102 - HB2 ARG 85 OK 13 100 - 12 - 4312/3.0=2, 4328/3.9=1...(5) HD2 ARG 85 - HB2 GLU 38 OK 11 99 - 12 - ~6007=2, ~3305=2...(6) HE3 LYS 109 - HB2 GLU 38 lone 4 96 - 4 - HE2 LYS 109 - HB2 GLU 38 lone 4 96 - 4 - HB2 TYR 102 - HB2 GLU 38 lone 4 99 - 4 - HD2 ARG 85 - HB3 GLU 94 lone 3 58 - 6 - HB2 TYR 102 - HB3 GLU 94 lone 2 56 - 4 - HE3 LYS 109 - HB3 GLU 94 lone 1 53 - 3 - HE2 LYS 109 - HB3 GLU 94 lone 1 53 - 3 - Peak 4289 from cnoeabs.peaks (3.33, 1.95, 29.17 ppm; 5.09 A): 2 out of 16 assignments used, quality = 1.00: HD3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.9=100 * HD3 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.9=100 HD2 ARG 57 - HB2 GLU 38 OK 37 85 - 44 - ~6076=5, 3305/1.8=5...(17) HD3 PRO 60 - HB2 ARG 85 OK 26 100 - 26 - 4281/3.0=5, 4305/3.0=5...(7) HD3 PRO 60 - HB3 ARG 85 OK 26 100 - 26 - 4281/3.0=5, 4305/3.0=5...(7) HB3 PHE 40 - HB2 ARG 85 OK 23 89 - 26 - 4281/3.0=5, 4313/3.0=5...(10) HB3 PHE 40 - HB3 ARG 85 OK 23 89 - 26 - 4281/3.0=5, 4313/3.0=5...(10) HD2 ARG 57 - HB2 ARG 85 OK 17 87 - 20 - 4305/3.0=4, 4313/3.0=4...(6) HD2 ARG 57 - HB3 ARG 85 OK 17 87 - 20 - 4305/3.0=4, 4313/3.0=4...(6) HD3 PRO 60 - HB2 GLU 38 OK 17 99 - 17 - ~6005=3, ~6710=2...(6) HD3 ARG 85 - HB2 GLU 38 OK 15 99 - 15 - ~6007=3, 3305/1.8=2...(7) HB3 PHE 40 - HB2 GLU 38 OK 11 87 - 13 - 5557/3.8=6, 4.0/6738=3 HD3 ARG 85 - HB3 GLU 94 lone 4 58 - 7 - 3.0/4308=1, 3.0/4300=1 HD3 PRO 60 - HB3 GLU 94 lone 3 56 - 6 - HB3 PHE 40 - HB3 GLU 94 lone 3 45 - 6 - 5557/4.0=2 HD2 ARG 57 - HB3 GLU 94 lone 1 44 - 2 - Peak 4290 from cnoeabs.peaks (8.75, 1.95, 29.17 ppm; 3.87 A): 2 out of 12 assignments used, quality = 1.00: H ARG 85 + HB2 ARG 85 OK 95 100 - 95 - 4.0=89, 1192/1.8=16...(10) * H ARG 85 + HB3 ARG 85 OK 95 100 - 95 - 4.0=89, 1192/1.8=16...(10) H THR 23 - HB2 ARG 85 OK 34 100 - 34 - 4274/3.0=10, 418/4.7=6...(11) H THR 23 - HB3 ARG 85 OK 34 100 - 34 - 4274/3.0=10, 418/4.7=6...(11) H GLU 15 - HB2 GLU 38 OK 10 74 - 14 - 3.7/6308=5, 809/3.0=2...(4) H ARG 85 - HB2 GLU 38 lone 9 99 - 9 - 1193=1, 3.0/4277=1 H GLU 15 - HB2 ARG 85 lone 6 76 - 7 - 418/4.7=1, 4274/3.0=1 H GLU 15 - HB3 ARG 85 lone 6 76 - 7 - 418/4.7=1, 4274/3.0=1 H THR 23 - HB2 GLU 38 lone 6 99 - 6 - 1438/4.4=2 H ARG 85 - HB3 GLU 94 lone 5 58 - 8 - 1488/4.0=2, 1193=1 H THR 23 - HB3 GLU 94 lone 1 57 - 1 - H GLU 15 - HB3 GLU 94 lone 1 37 - 2 - Peak 4291 from cnoeabs.peaks (3.93, 1.95, 29.17 ppm; 4.15 A): 4 out of 52 assignments used, quality = 1.00: HA ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.0=100 * HA ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.0=100 HA THR 23 + HB3 ARG 85 OK 45 100 - 46 - 2182/4.0=9, ~4274=5...(18) HA THR 23 + HB2 ARG 85 OK 45 100 - 46 - 2182/4.0=9, ~4274=5...(18) HA ILE 34 - HB2 ARG 85 OK 19 63 - 30 - 4.1/6648=3, 4307/3.0=2...(17) HA ILE 34 - HB3 ARG 85 OK 19 63 - 30 - 4.1/6648=3, 4307/3.0=2...(17) HA ARG 85 - HB2 GLU 38 OK 15 99 - 15 - 4276=1, 3.6/421=1...(7) HD3 PRO 68 - HB3 GLU 94 OK 13 45 - 28 - ~4522=2, ~4521=1...(9) HD2 PRO 68 - HB3 GLU 94 OK 12 43 - 28 - ~4522=2, ~4521=1...(9) HA2 GLY 25 - HB2 ARG 85 OK 12 100 - 12 - ~85=2, 1191/4.0=2...(7) HA2 GLY 25 - HB3 ARG 85 OK 12 100 - 12 - ~85=2, 1191/4.0=2...(7) HB THR 62 - HB3 ARG 85 OK 12 89 - 13 - 419/4.7=5, ~3496=2...(5) HB THR 62 - HB2 ARG 85 OK 12 89 - 13 - 419/4.7=5, ~3496=2...(5) HD3 PRO 68 - HB3 ARG 85 poor 10 89 - 11 - 4307/3.0=1, 4299/3.0=1 HD3 PRO 68 - HB2 ARG 85 poor 10 89 - 11 - 4307/3.0=1, 4299/3.0=1 HA ALA 43 - HB2 ARG 85 lone 9 97 - 9 - 4307/3.0=1, 4299/3.0=1 HA ALA 43 - HB3 ARG 85 lone 9 97 - 9 - 4307/3.0=1, 4299/3.0=1 HD2 PRO 68 - HB2 ARG 85 poor 9 85 - 11 - 4307/3.0=1, 4299/3.0=1 HD2 PRO 68 - HB3 ARG 85 poor 9 85 - 11 - 4307/3.0=1, 4299/3.0=1 HA ARG 85 - HB3 GLU 94 poor 8 58 - 14 - 5769/4.0=2, 3.6/420=1...(4) HA SER 74 - HB2 GLU 38 lone 8 87 - 9 - 6086/3.8=3, 6091/4.4=2 HD3 PRO 68 - HB2 GLU 38 lone 6 87 - 6 - HD2 PRO 68 - HB2 GLU 38 lone 5 83 - 6 - HA THR 23 - HB2 GLU 38 lone 5 99 - 5 - 5484/4.4=1, 3.6/5549=1 HA ILE 34 - HB2 GLU 38 lone 4 61 - 7 - ~6636=2, 4.1/6648=1, ~6007=1 HA3 GLY 125 - HB3 ARG 85 lone 4 81 - 5 - HA2 GLY 125 - HB2 ARG 85 lone 4 81 - 5 - HA2 GLY 125 - HB3 ARG 85 lone 4 81 - 5 - HA3 GLY 125 - HB2 ARG 85 lone 4 81 - 5 - HA SER 74 - HB2 ARG 85 lone 3 89 - 4 - HA SER 74 - HB3 ARG 85 lone 3 89 - 4 - HB THR 62 - HB2 GLU 38 lone 2 87 - 2 - HA2 GLY 25 - HB2 GLU 38 lone 2 99 - 2 - HA3 GLY 2 - HB2 ARG 85 lone 1 63 - 2 - HA2 GLY 2 - HB2 ARG 85 lone 1 63 - 2 - HA3 GLY 2 - HB3 ARG 85 lone 1 63 - 2 - HA2 GLY 2 - HB3 ARG 85 lone 1 63 - 2 - HA ALA 43 - HB2 GLU 38 lone 1 95 - 1 - HA ALA 43 - HB3 GLU 94 lone 1 52 - 2 - HA3 GLY 125 - HB2 GLU 38 lone 1 78 - 1 - HA2 GLY 125 - HB2 GLU 38 lone 1 78 - 1 - HB THR 62 - HB3 GLU 94 lone 1 45 - 2 - HA THR 23 - HB3 GLU 94 lone 1 57 - 1 - HA3 GLY 2 - HB2 GLU 38 lone 1 61 - 1 - HA2 GLY 2 - HB2 GLU 38 lone 1 61 - 1 - HA SER 74 - HB3 GLU 94 lone 0 45 - 1 - HA2 GLY 25 - HB3 GLU 94 lone 0 57 - 1 - HA ILE 34 - HB3 GLU 94 lone 0 29 - 2 - HA3 GLY 125 - HB3 GLU 94 lone 0 40 - 1 - HA2 GLY 125 - HB3 GLU 94 lone 0 40 - 1 - HA2 GLY 2 - HB3 GLU 94 lone 0 29 - 1 - HA3 GLY 2 - HB3 GLU 94 lone 0 29 - 1 - Peak 4292 from cnoeabs.peaks (1.95, 1.95, 29.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 HB2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 HB2 GLU 38 + HB2 GLU 38 OK 98 98 - 100 HB3 GLU 94 + HB3 GLU 94 OK 56 56 - 100 Reference assignment not found: HB2 ARG 85 - HB3 ARG 85 Peak 4293 from cnoeabs.peaks (1.95, 1.95, 29.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 HB2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 HB2 GLU 38 + HB2 GLU 38 OK 98 98 - 100 HB3 GLU 94 + HB3 GLU 94 OK 56 56 - 100 Peak 4294 from cnoeabs.peaks (1.50, 1.95, 29.17 ppm; 3.81 A): 4 out of 36 assignments used, quality = 1.00: HG2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.0=100 * HG2 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 109 + HB2 ARG 85 OK 50 87 - 58 - 4310/3.0=6, 4326/3.9=5...(31) HG2 LYS 109 + HB3 ARG 85 OK 50 87 - 58 - 4310/3.0=6, 4326/3.9=5...(31) HB3 LEU 58 - HB3 ARG 85 OK 24 97 - 24 - 4310/3.0=2, 4278/3.0=2...(7) HB3 LEU 58 - HB2 ARG 85 OK 24 97 - 24 - 4310/3.0=2, 4278/3.0=2...(7) HB2 LEU 24 - HB2 ARG 85 OK 18 99 - 18 - 4278/3.0=2, 1194/4.0=2...(7) HB2 LEU 24 - HB3 ARG 85 OK 18 99 - 18 - 4278/3.0=2, 1194/4.0=2...(7) HG LEU 93 - HB2 GLU 38 OK 17 98 - 17 - ~6709=2, 5804/3.8=2...(5) HG2 ARG 85 - HB2 GLU 38 OK 16 99 - 16 - ~6007=2, 4301=1...(7) HB3 LEU 114 - HB2 ARG 85 OK 15 100 - 15 - 4278/3.0=2, 4310/3.0=2...(6) HB3 LEU 114 - HB3 ARG 85 OK 15 100 - 15 - 4278/3.0=2, 4310/3.0=2...(6) HB3 LEU 114 - HB3 GLU 94 OK 13 57 - 22 - 5074/1.8=2, 5071/2.9=2...(8) HG LEU 93 - HB3 GLU 94 OK 12 56 - 22 - 462/4.0=6, 4.3/7598=2...(9) HB3 LEU 58 - HB3 GLU 94 OK 11 52 - 22 - 462/4.0=2, 3362/2.9=2...(8) HG LEU 91 - HB2 GLU 38 OK 11 97 - 11 - ~6709=1, ~7588=1, ~7587=1 HG3 ARG 92 - HB3 ARG 85 OK 11 97 - 11 - 4326/3.9=1, 4278/3.0=1...(4) HG3 ARG 92 - HB2 ARG 85 OK 11 97 - 11 - 4326/3.9=1, 4278/3.0=1...(4) HG LEU 93 - HB3 ARG 85 OK 11 99 - 11 - 422/4.7=2, 4278/3.0=1 HG LEU 93 - HB2 ARG 85 OK 11 99 - 11 - 422/4.7=2, 4278/3.0=1 HG2 ARG 92 - HB3 ARG 85 OK 10 96 - 11 - 4326/3.9=1, 4310/3.0=1...(4) HG2 ARG 92 - HB2 ARG 85 OK 10 96 - 11 - 4326/3.9=1, 4310/3.0=1...(4) HB2 LEU 24 - HB2 GLU 38 lone 9 97 - 9 - 2201/4.4=2, ~6467=1 HB3 LEU 114 - HB2 GLU 38 lone 8 99 - 8 - 5072/1.8=1 HG LEU 91 - HB3 ARG 85 lone 8 98 - 8 - 422/4.7=1, 4278/3.0=1 HG LEU 91 - HB2 ARG 85 lone 8 98 - 8 - 422/4.7=1, 4278/3.0=1 HG2 ARG 85 - HB3 GLU 94 poor 7 58 - 12 - 5772/4.0=2, 4300=1 HB3 LEU 58 - HB2 GLU 38 lone 7 95 - 7 - HG2 LYS 109 - HB2 GLU 38 lone 5 85 - 6 - HG LEU 91 - HB3 GLU 94 lone 4 54 - 7 - 462/4.0=3 HG2 LYS 109 - HB3 GLU 94 lone 1 44 - 3 - HG3 ARG 92 - HB2 GLU 38 lone 1 96 - 1 - HG2 ARG 92 - HB2 GLU 38 lone 1 94 - 1 - HG3 ARG 92 - HB3 GLU 94 lone 1 53 - 2 - HG2 ARG 92 - HB3 GLU 94 lone 1 51 - 2 - HB2 LEU 24 - HB3 GLU 94 lone 1 55 - 2 - Peak 4295 from cnoeabs.peaks (1.65, 1.95, 29.17 ppm; 3.89 A): 2 out of 44 assignments used, quality = 1.00: HG3 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.0=100 * HG3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.0=100 HB ILE 34 - HB3 ARG 85 OK 39 100 - 39 - 4279/3.0=4, 4303/3.0=4...(19) HB ILE 34 - HB2 ARG 85 OK 39 100 - 39 - 4279/3.0=4, 4303/3.0=4...(19) HB3 LEU 41 - HB2 GLU 38 OK 29 95 - 31 - 6007/3.0=9, ~6005=7...(9) HG LEU 51 - HB2 ARG 85 OK 25 97 - 26 - 4279/3.0=3, 4303/3.0=3...(15) HG LEU 51 - HB3 ARG 85 OK 25 97 - 26 - 4279/3.0=3, 4303/3.0=3...(15) HG LEU 27 - HB3 ARG 85 OK 20 99 - 20 - 1195/4.0=2, 4279/3.0=2...(11) HG LEU 27 - HB2 ARG 85 OK 20 99 - 20 - 1195/4.0=2, 4279/3.0=2...(11) HB3 LEU 41 - HB2 ARG 85 OK 19 97 - 19 - 4279/3.0=2, 4303/3.0=2...(9) HB3 LEU 41 - HB3 ARG 85 OK 19 97 - 19 - 4279/3.0=2, 4303/3.0=2...(9) HG3 ARG 85 - HB2 GLU 38 OK 18 99 - 18 - 6007/3.0=3, 4308=2...(7) HG LEU 27 - HB2 GLU 38 OK 12 98 - 13 - 6007/3.0=4, ~6708=2, 5502/3.8=1 HB3 GLN 42 - HB2 GLU 38 OK 11 97 - 11 - 6007/3.0=3, ~6708=2, ~6007=1 HB3 GLN 42 - HB2 ARG 85 OK 10 98 - 11 - 4279/3.0=1 HB3 GLN 42 - HB3 ARG 85 OK 10 98 - 11 - 4279/3.0=1 HB ILE 34 - HB2 GLU 38 lone 9 99 - 10 - ~6636=2, 6007/3.0=2, 3.2/6648=1 HB2 LEU 59 - HB2 ARG 85 poor 9 81 - 11 - 4327/3.9=1, 4303/3.0=1...(4) HB2 LEU 59 - HB3 ARG 85 poor 9 81 - 11 - 4327/3.9=1, 4303/3.0=1...(4) HG3 ARG 85 - HB3 GLU 94 poor 7 58 - 13 - 4309=1, 5773/4.0=1, ~4521=1 HB3 LYS 32 - HB2 GLU 38 lone 7 98 - 7 - 5528/4.4=2, 6007/3.0=1 HB3 LYS 32 - HB2 ARG 85 lone 6 99 - 6 - HB3 LYS 32 - HB3 ARG 85 lone 6 99 - 6 - HB3 LEU 41 - HB3 GLU 94 poor 6 52 - 12 - 2791/4.0=2, 2793/1.8=1 HG LEU 101 - HB3 ARG 85 lone 5 68 - 7 - HG LEU 101 - HB2 ARG 85 lone 5 68 - 7 - HD2 LYS 31 - HB2 ARG 85 lone 4 73 - 5 - HD3 LYS 31 - HB3 ARG 85 lone 4 73 - 5 - HD2 LYS 31 - HB3 ARG 85 lone 4 73 - 5 - HD3 LYS 31 - HB2 ARG 85 lone 4 73 - 5 - HG LEU 51 - HB2 GLU 38 lone 3 95 - 3 - HB2 LEU 59 - HB2 GLU 38 lone 2 78 - 3 - HG LEU 101 - HB2 GLU 38 lone 2 66 - 4 - HG LEU 51 - HB3 GLU 94 lone 2 52 - 5 - 3088/4.7=2 HD3 LYS 31 - HB2 GLU 38 lone 2 71 - 3 - HD2 LYS 31 - HB2 GLU 38 lone 2 71 - 3 - HG LEU 27 - HB3 GLU 94 lone 1 55 - 2 - HB ILE 34 - HB3 GLU 94 lone 1 57 - 2 - HB3 GLN 42 - HB3 GLU 94 lone 1 54 - 2 - HG LEU 101 - HB3 GLU 94 lone 1 32 - 3 - HB2 LEU 59 - HB3 GLU 94 lone 1 40 - 2 - HB3 LYS 32 - HB3 GLU 94 lone 1 56 - 1 - HD3 LYS 31 - HB3 GLU 94 lone 0 35 - 1 - HD2 LYS 31 - HB3 GLU 94 lone 0 35 - 1 - Peak 4296 from cnoeabs.peaks (3.04, 1.95, 29.17 ppm; 4.53 A): 6 out of 16 assignments used, quality = 1.00: * HD2 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.9=100 HD2 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.9=100 HE2 LYS 109 + HB2 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HE3 LYS 109 + HB3 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HE3 LYS 109 + HB2 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HE2 LYS 109 + HB3 ARG 85 OK 67 97 - 69 - 4312/3.0=9, 4328/3.9=8...(33) HB2 TYR 102 - HB3 ARG 85 OK 13 100 - 12 - 4312/3.0=2, 4328/3.9=1...(5) HB2 TYR 102 - HB2 ARG 85 OK 13 100 - 12 - 4312/3.0=2, 4328/3.9=1...(5) HD2 ARG 85 - HB2 GLU 38 OK 11 99 - 12 - ~6007=2, ~3305=2...(6) HE3 LYS 109 - HB2 GLU 38 lone 4 96 - 4 - HE2 LYS 109 - HB2 GLU 38 lone 4 96 - 4 - HB2 TYR 102 - HB2 GLU 38 lone 4 99 - 4 - HD2 ARG 85 - HB3 GLU 94 lone 3 58 - 6 - HB2 TYR 102 - HB3 GLU 94 lone 2 56 - 4 - HE3 LYS 109 - HB3 GLU 94 lone 1 53 - 3 - HE2 LYS 109 - HB3 GLU 94 lone 1 53 - 3 - Peak 4297 from cnoeabs.peaks (3.33, 1.95, 29.17 ppm; 5.09 A): 2 out of 16 assignments used, quality = 1.00: * HD3 ARG 85 + HB3 ARG 85 OK 100 100 - 100 - 3.9=100 HD3 ARG 85 + HB2 ARG 85 OK 100 100 - 100 - 3.9=100 HD2 ARG 57 - HB2 GLU 38 OK 37 85 - 44 - ~6076=5, 3305/1.8=5...(17) HD3 PRO 60 - HB2 ARG 85 OK 26 100 - 26 - 4281/3.0=5, 4305/3.0=5...(7) HD3 PRO 60 - HB3 ARG 85 OK 26 100 - 26 - 4281/3.0=5, 4305/3.0=5...(7) HB3 PHE 40 - HB2 ARG 85 OK 23 89 - 26 - 4281/3.0=5, 4313/3.0=5...(10) HB3 PHE 40 - HB3 ARG 85 OK 23 89 - 26 - 4281/3.0=5, 4313/3.0=5...(10) HD2 ARG 57 - HB2 ARG 85 OK 17 87 - 20 - 4305/3.0=4, 4313/3.0=4...(6) HD2 ARG 57 - HB3 ARG 85 OK 17 87 - 20 - 4305/3.0=4, 4313/3.0=4...(6) HD3 PRO 60 - HB2 GLU 38 OK 17 99 - 17 - ~6005=3, ~6710=2...(6) HD3 ARG 85 - HB2 GLU 38 OK 15 99 - 15 - ~6007=3, 3305/1.8=2...(7) HB3 PHE 40 - HB2 GLU 38 OK 11 87 - 13 - 5557/3.8=6, 4.0/6738=3 HD3 ARG 85 - HB3 GLU 94 lone 4 58 - 7 - 3.0/4308=1, 3.0/4300=1 HD3 PRO 60 - HB3 GLU 94 lone 3 56 - 6 - HB3 PHE 40 - HB3 GLU 94 lone 3 45 - 6 - 5557/4.0=2 HD2 ARG 57 - HB3 GLU 94 lone 1 44 - 2 - Peak 4298 from cnoeabs.peaks (8.75, 1.50, 25.37 ppm; 5.03 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 5.0=100 H THR 23 + HG2 ARG 85 OK 49 100 - 50 - 4274/4.1=11, 4306/1.8=11...(13) H ARG 85 - HG2 LYS 109 OK 19 47 - 41 - 3.0/4278=7, 1194=6...(13) H GLU 15 - HG2 ARG 85 lone 8 76 - 10 - 418/5.0=2, 4306/1.8=2...(4) H THR 23 - HG2 LYS 109 lone 3 47 - 7 - 76/2.9=1 H GLU 15 - HG2 LYS 109 lone 2 29 - 7 - Peak 4299 from cnoeabs.peaks (3.93, 1.50, 25.37 ppm; 4.15 A): 1 out of 26 assignments used, quality = 1.00: * HA ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 4.1=100 HA THR 23 - HG2 ARG 85 OK 37 100 - 37 - 2182/5.0=7, 3.0/4298=6...(13) HA ARG 85 - HG2 LYS 109 OK 21 47 - 45 - 4278=8, 4280/3.5=6...(18) HA ILE 34 - HG2 ARG 85 OK 16 63 - 26 - 3.0/4303=4, 4307/1.8=3...(13) HA2 GLY 25 - HG2 ARG 85 OK 13 100 - 13 - 3.0/85=4, 4307/1.8=2...(5) HA ALA 43 - HG2 LYS 109 OK 12 42 - 29 - 6803/1.8=6, ~4920=4...(11) HA ALA 43 - HG2 ARG 85 poor 10 97 - 10 - 4307/1.8=2, ~178=1, 3.6/7497=1 HD3 PRO 68 - HG2 ARG 85 poor 10 89 - 11 - 4307/1.8=1, 4323/3.0=1 HD2 PRO 68 - HG2 ARG 85 poor 9 85 - 11 - 4307/1.8=1, 4323/3.0=1, ~4307=1 HB THR 62 - HG2 ARG 85 poor 9 89 - 10 - 419/5.0=4, 4307/1.8=1 HA2 GLY 125 - HG2 ARG 85 lone 4 81 - 5 - HA3 GLY 125 - HG2 ARG 85 lone 4 81 - 5 - HD3 PRO 68 - HG2 LYS 109 lone 3 37 - 9 - ~4923=1 HD2 PRO 68 - HG2 LYS 109 lone 3 34 - 9 - ~4923=1 HA SER 74 - HG2 ARG 85 lone 3 89 - 3 - HA THR 23 - HG2 LYS 109 lone 2 47 - 4 - HA2 GLY 2 - HG2 ARG 85 lone 1 63 - 2 - HA3 GLY 2 - HG2 ARG 85 lone 1 63 - 2 - HA2 GLY 25 - HG2 LYS 109 lone 1 47 - 2 - HB THR 62 - HG2 LYS 109 lone 1 37 - 2 - HA3 GLY 125 - HG2 LYS 109 lone 1 32 - 2 - HA2 GLY 125 - HG2 LYS 109 lone 1 32 - 2 - HA SER 74 - HG2 LYS 109 lone 1 37 - 1 - HA ILE 34 - HG2 LYS 109 lone 0 23 - 2 - HA3 GLY 2 - HG2 LYS 109 lone 0 23 - 1 - HA2 GLY 2 - HG2 LYS 109 lone 0 23 - 1 - Peak 4300 from cnoeabs.peaks (1.95, 1.50, 25.37 ppm; 3.55 A): 3 out of 30 assignments used, quality = 1.00: HB3 ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 3.0=100 * HB2 ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 + HG2 ARG 85 OK 57 97 - 59 - 4894=6, 4324/3.0=5...(33) HB2 LYS 109 - HG2 LYS 109 OK 43 43 - 100 - 2.9=100 HB2 ARG 85 - HG2 LYS 109 OK 24 47 - 51 - 3.0/4310=6, 3.9/4326=5...(27) HB3 ARG 85 - HG2 LYS 109 OK 24 47 - 51 - 3.0/4310=6, 3.9/4326=5...(27) HG LEU 58 - HG2 LYS 109 OK 20 39 - 51 - 4902/2.9=5, 4922/1.8=5...(27) HG LEU 58 - HG2 ARG 85 OK 15 92 - 16 - 3371=1, 2.1/3385=1...(4) HB2 GLU 38 - HG2 ARG 85 OK 14 99 - 14 - ~6007=2, 4309/1.8=1, 4294=1 HB3 LYS 119 - HG2 LYS 109 OK 13 46 - 29 - 4922/1.8=3, 4902/2.9=3...(11) HB3 GLU 94 - HG2 ARG 85 OK 10 99 - 10 - 4.0/5772=1 HB3 PRO 30 - HG2 LYS 109 poor 10 47 - 21 - 4922/1.8=2, 4902/2.9=2...(5) HB3 PRO 30 - HG2 ARG 85 lone 6 100 - 6 - HB2 LEU 21 - HG2 ARG 85 lone 5 81 - 7 - 3.0/5991=1, 421/5.0=1 HB2 GLU 64 - HG2 ARG 85 lone 5 97 - 5 - HB3 GLU 64 - HG2 ARG 85 lone 5 96 - 5 - HB3 LYS 119 - HG2 ARG 85 lone 5 100 - 5 - HG LEU 45 - HG2 ARG 85 lone 3 73 - 3 - HB2 GLU 38 - HG2 LYS 109 lone 2 45 - 5 - HB ILE 80 - HG2 ARG 85 lone 2 71 - 3 - HB3 GLU 69 - HG2 ARG 85 lone 2 100 - 2 - HB2 GLU 64 - HG2 LYS 109 lone 2 43 - 4 - HB3 GLU 64 - HG2 LYS 109 lone 2 41 - 4 - HB ILE 80 - HG2 LYS 109 lone 1 27 - 5 - HB3 GLU 94 - HG2 LYS 109 lone 1 45 - 3 - HB2 LEU 21 - HG2 LYS 109 lone 1 32 - 4 - HB3 GLU 69 - HG2 LYS 109 lone 1 46 - 2 - HG LEU 45 - HG2 LYS 109 lone 1 28 - 3 - HB2 ARG 71 - HG2 ARG 85 lone 1 68 - 1 - HB2 ARG 71 - HG2 LYS 109 lone 1 26 - 2 - Peak 4301 from cnoeabs.peaks (1.95, 1.50, 25.37 ppm; 3.55 A): 3 out of 30 assignments used, quality = 1.00: * HB3 ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 3.0=100 HB2 ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 + HG2 ARG 85 OK 57 97 - 59 - 4894=6, 4324/3.0=5...(33) HB2 LYS 109 - HG2 LYS 109 OK 43 43 - 100 - 2.9=100 HB2 ARG 85 - HG2 LYS 109 OK 24 47 - 51 - 3.0/4310=6, 3.9/4326=5...(27) HB3 ARG 85 - HG2 LYS 109 OK 24 47 - 51 - 3.0/4310=6, 3.9/4326=5...(27) HG LEU 58 - HG2 LYS 109 OK 20 39 - 51 - 4902/2.9=5, 4922/1.8=5...(27) HG LEU 58 - HG2 ARG 85 OK 15 92 - 16 - 3371=1, 2.1/3385=1...(4) HB2 GLU 38 - HG2 ARG 85 OK 14 99 - 14 - ~6007=2, 4309/1.8=1, 4294=1 HB3 LYS 119 - HG2 LYS 109 OK 13 46 - 29 - 4922/1.8=3, 4902/2.9=3...(11) HB3 GLU 94 - HG2 ARG 85 OK 10 99 - 10 - 4.0/5772=1 HB3 PRO 30 - HG2 LYS 109 poor 10 47 - 21 - 4922/1.8=2, 4902/2.9=2...(5) HB3 PRO 30 - HG2 ARG 85 lone 6 100 - 6 - HB2 LEU 21 - HG2 ARG 85 lone 5 81 - 7 - 3.0/5991=1, 421/5.0=1 HB2 GLU 64 - HG2 ARG 85 lone 5 97 - 5 - HB3 GLU 64 - HG2 ARG 85 lone 5 96 - 5 - HB3 LYS 119 - HG2 ARG 85 lone 5 100 - 5 - HG LEU 45 - HG2 ARG 85 lone 3 73 - 3 - HB2 GLU 38 - HG2 LYS 109 lone 2 45 - 5 - HB ILE 80 - HG2 ARG 85 lone 2 71 - 3 - HB3 GLU 69 - HG2 ARG 85 lone 2 100 - 2 - HB2 GLU 64 - HG2 LYS 109 lone 2 43 - 4 - HB3 GLU 64 - HG2 LYS 109 lone 2 41 - 4 - HB ILE 80 - HG2 LYS 109 lone 1 27 - 5 - HB3 GLU 94 - HG2 LYS 109 lone 1 45 - 3 - HB2 LEU 21 - HG2 LYS 109 lone 1 32 - 4 - HB3 GLU 69 - HG2 LYS 109 lone 1 46 - 2 - HG LEU 45 - HG2 LYS 109 lone 1 28 - 3 - HB2 ARG 71 - HG2 ARG 85 lone 1 68 - 1 - HB2 ARG 71 - HG2 LYS 109 lone 1 26 - 2 - Peak 4302 from cnoeabs.peaks (1.50, 1.50, 25.37 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 85 + HG2 ARG 85 OK 100 100 - 100 HG2 LYS 109 - HG2 LYS 109 OK 35 35 - 100 Peak 4303 from cnoeabs.peaks (1.65, 1.50, 25.37 ppm; 3.11 A): 1 out of 22 assignments used, quality = 1.00: * HG3 ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 1.8=100 HG3 ARG 85 - HG2 LYS 109 OK 25 47 - 53 - 4310=9, 3.0/4326=5...(28) HB ILE 34 - HG2 ARG 85 OK 24 100 - 24 - 4327/3.0=3, 4279/4.1=2...(14) HG LEU 51 - HG2 ARG 85 OK 17 97 - 17 - 4310=2, 4327/3.0=2...(5) HB3 LEU 41 - HG2 ARG 85 OK 12 97 - 12 - 4327/3.0=1, 4.1/5772=1...(4) HG LEU 27 - HG2 ARG 85 OK 10 99 - 10 - 4327/3.0=1 HB2 LEU 59 - HG2 ARG 85 lone 7 81 - 9 - 4327/3.0=1, 4.8/4305=1 HB3 GLN 42 - HG2 ARG 85 lone 6 98 - 6 - HB3 GLN 42 - HG2 LYS 109 lone 4 44 - 8 - 5569/4.7=2 HB3 LYS 32 - HG2 ARG 85 lone 3 99 - 3 - HG LEU 101 - HG2 ARG 85 lone 3 68 - 5 - 4.9/7498=1 HD3 LYS 31 - HG2 LYS 109 poor 3 28 - 10 - HD2 LYS 31 - HG2 LYS 109 poor 3 28 - 10 - HB3 LYS 32 - HG2 LYS 109 lone 2 45 - 5 - HD2 LYS 31 - HG2 ARG 85 lone 2 73 - 3 - HD3 LYS 31 - HG2 ARG 85 lone 2 73 - 3 - HB ILE 34 - HG2 LYS 109 lone 1 47 - 2 - HB2 LEU 59 - HG2 LYS 109 lone 1 32 - 3 - 3.7/274=1 HG LEU 27 - HG2 LYS 109 lone 1 45 - 2 - HB3 LEU 41 - HG2 LYS 109 lone 1 42 - 2 - HG LEU 101 - HG2 LYS 109 lone 1 26 - 3 - HG LEU 51 - HG2 LYS 109 lone 1 42 - 1 - Peak 4304 from cnoeabs.peaks (3.04, 1.50, 25.37 ppm; 3.72 A): 3 out of 8 assignments used, quality = 1.00: * HD2 ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 3.0=100 HE2 LYS 109 + HG2 ARG 85 OK 55 97 - 56 - 4312/1.8=8, 4328/3.0=7...(22) HE3 LYS 109 + HG2 ARG 85 OK 55 97 - 56 - 4312/1.8=8, 4328/3.0=7...(22) HE2 LYS 109 - HG2 LYS 109 OK 43 43 - 100 - 3.5=100 HE3 LYS 109 - HG2 LYS 109 OK 43 43 - 100 - 3.5=100 HD2 ARG 85 - HG2 LYS 109 OK 26 47 - 56 - 1.8/4326=9, 3.0/4310=6...(26) HB2 TYR 102 - HG2 LYS 109 OK 22 46 - 48 - 4929/1.8=5, ~4825=4...(22) HB2 TYR 102 - HG2 ARG 85 OK 11 100 - 11 - 4312/1.8=2, 4328/3.0=1 Peak 4305 from cnoeabs.peaks (3.33, 1.50, 25.37 ppm; 3.91 A): 1 out of 8 assignments used, quality = 1.00: * HD3 ARG 85 + HG2 ARG 85 OK 100 100 - 100 - 3.0=100 HD3 ARG 85 - HG2 LYS 109 OK 33 47 - 71 - 4326=11, 4328/3.5=7...(38) HD3 PRO 60 - HG2 ARG 85 OK 22 100 - 22 - 4313/1.8=4, 8710/4.0=3...(12) HB3 PHE 40 - HG2 ARG 85 OK 20 89 - 22 - 4313/1.8=4, 4281/4.1=2...(13) HD2 ARG 57 - HG2 ARG 85 OK 18 87 - 21 - 4313/1.8=3, 8710/4.0=2...(11) HD3 PRO 60 - HG2 LYS 109 lone 2 46 - 5 - 4.8/274=1, ~7847=1 HB3 PHE 40 - HG2 LYS 109 lone 2 37 - 6 - ~7842=1, ~7839=1 HD2 ARG 57 - HG2 LYS 109 lone 2 35 - 5 - Peak 4306 from cnoeabs.peaks (8.75, 1.65, 25.37 ppm; 4.91 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 85 + HG3 ARG 85 OK 99 100 - 99 - 5.0=96, 3.0/4279=22...(11) H THR 23 + HG3 ARG 85 OK 46 100 - 46 - 4274/4.1=11, 4298/1.8=10...(11) H ARG 85 - HG LEU 51 OK 18 64 - 27 - 416/2.1=7, 1195=5...(10) H GLU 15 - HG3 ARG 85 lone 7 76 - 10 - 418/5.0=2, 4298/1.8=2...(4) H THR 23 - HG LEU 51 lone 3 64 - 4 - H GLU 15 - HG LEU 51 lone 1 42 - 3 - Peak 4307 from cnoeabs.peaks (3.93, 1.65, 25.37 ppm; 3.97 A): 1 out of 26 assignments used, quality = 0.96: * HA ARG 85 + HG3 ARG 85 OK 96 100 - 96 - 4.1=88, 4278/1.8=18...(12) HA THR 23 - HG3 ARG 85 OK 32 100 - 32 - 2182/5.0=6, 3.0/4306=6...(11) HA ILE 34 - HG3 ARG 85 OK 19 63 - 31 - 2589=3, 3.2/2603=3...(14) HA ILE 34 - HG LEU 51 OK 15 33 - 44 - 2593/2.1=6, ~2600=6...(14) HA ARG 85 - HG LEU 51 OK 13 64 - 20 - 4279=4, 3.0/1195=3...(10) HA2 GLY 25 - HG3 ARG 85 OK 10 100 - 10 - ~85=2, 4299/1.8=2...(4) HA ALA 43 - HG3 ARG 85 lone 9 97 - 10 - 3.0/178=2, 3.6/6823=1 HB THR 62 - HG3 ARG 85 poor 9 89 - 10 - 419/5.0=4, 4299/1.8=1 HD3 PRO 68 - HG3 ARG 85 lone 9 89 - 10 - 4299/1.8=1, 4323/3.0=1 HD2 PRO 68 - HG3 ARG 85 lone 8 85 - 10 - 4299/1.8=1 HA2 GLY 125 - HG3 ARG 85 lone 3 81 - 4 - HA3 GLY 125 - HG3 ARG 85 lone 3 81 - 4 - HA2 GLY 25 - HG LEU 51 lone 3 64 - 5 - 6486/2.1=2 HB THR 62 - HG LEU 51 lone 2 51 - 5 - 5661/5.1=2, 4.4/3088=1 HA SER 74 - HG3 ARG 85 lone 2 89 - 3 - HA THR 23 - HG LEU 51 lone 2 64 - 2 - HA ALA 43 - HG LEU 51 lone 1 58 - 2 - HA3 GLY 2 - HG3 ARG 85 lone 1 63 - 2 - HA2 GLY 2 - HG3 ARG 85 lone 1 63 - 2 - HD3 PRO 68 - HG LEU 51 lone 1 51 - 2 - HD2 PRO 68 - HG LEU 51 lone 1 48 - 2 - HA SER 74 - HG LEU 51 lone 1 51 - 1 - HA3 GLY 125 - HG LEU 51 lone 0 45 - 1 - HA2 GLY 125 - HG LEU 51 lone 0 45 - 1 - HA2 GLY 2 - HG LEU 51 lone 0 33 - 1 - HA3 GLY 2 - HG LEU 51 lone 0 33 - 1 - Peak 4308 from cnoeabs.peaks (1.95, 1.65, 25.37 ppm; 3.61 A): 3 out of 30 assignments used, quality = 1.00: * HB2 ARG 85 + HG3 ARG 85 OK 100 100 - 100 - 3.0=100 HB3 ARG 85 + HG3 ARG 85 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 + HG3 ARG 85 OK 56 97 - 57 - 2.9/4310=6, 4894/1.8=5...(31) HB3 PRO 30 - HG LEU 51 OK 22 64 - 35 - 6604/2.1=7, ~6603=5...(10) HB2 GLU 38 - HG3 ARG 85 OK 15 99 - 15 - 3.0/6007=3, 4295=1, 4300/1.8=1 HB3 ARG 85 - HG LEU 51 OK 15 64 - 23 - 3.0/4279=2, 3.0/4303=2...(10) HB2 ARG 85 - HG LEU 51 OK 15 64 - 23 - 3.0/4279=2, 3.0/4303=2...(10) HG LEU 45 - HG LEU 51 OK 14 40 - 36 - 6841/2.1=10, ~6842=6...(11) HB ILE 80 - HG LEU 51 OK 13 38 - 35 - ~7403=8, ~7423=6...(11) HG LEU 58 - HG3 ARG 85 OK 13 92 - 14 - 3.0/4310=2, 4301/1.8=1 HB3 GLU 94 - HG3 ARG 85 OK 10 99 - 10 - HB3 PRO 30 - HG3 ARG 85 lone 7 100 - 7 - HB2 LEU 21 - HG3 ARG 85 lone 5 81 - 6 - 421/5.0=1 HB2 GLU 64 - HG3 ARG 85 lone 5 97 - 5 - HB3 GLU 64 - HG3 ARG 85 lone 5 96 - 5 - HB3 LYS 119 - HG3 ARG 85 lone 5 100 - 5 - HG LEU 58 - HG LEU 51 lone 3 54 - 6 - 8506/2.1=1, ~6930=1 HG LEU 45 - HG3 ARG 85 lone 3 73 - 4 - HB3 GLU 94 - HG LEU 51 lone 2 63 - 4 - HB3 LYS 119 - HG LEU 51 lone 2 64 - 3 - 6604/2.1=1 HB3 GLU 69 - HG3 ARG 85 lone 2 100 - 2 - HB ILE 80 - HG3 ARG 85 lone 2 71 - 3 - HB2 LEU 21 - HG LEU 51 lone 2 45 - 4 - HB2 GLU 38 - HG LEU 51 lone 2 63 - 3 - HB2 LYS 109 - HG LEU 51 lone 1 59 - 2 - HB2 ARG 71 - HG3 ARG 85 lone 1 68 - 1 - HB2 ARG 71 - HG LEU 51 lone 1 37 - 2 - HB3 GLU 69 - HG LEU 51 lone 1 64 - 1 - HB2 GLU 64 - HG LEU 51 lone 0 59 - 1 - HB3 GLU 64 - HG LEU 51 lone 0 57 - 1 - Peak 4309 from cnoeabs.peaks (1.95, 1.65, 25.37 ppm; 3.61 A): 3 out of 30 assignments used, quality = 1.00: HB2 ARG 85 + HG3 ARG 85 OK 100 100 - 100 - 3.0=100 * HB3 ARG 85 + HG3 ARG 85 OK 100 100 - 100 - 3.0=100 HB2 LYS 109 + HG3 ARG 85 OK 56 97 - 57 - 2.9/4310=6, 4894/1.8=5...(31) HB3 PRO 30 - HG LEU 51 OK 22 64 - 35 - 6604/2.1=7, ~6603=5...(10) HB2 GLU 38 - HG3 ARG 85 OK 15 99 - 15 - 3.0/6007=3, 4295=1, 4300/1.8=1 HB3 ARG 85 - HG LEU 51 OK 15 64 - 23 - 3.0/4279=2, 3.0/4303=2...(10) HB2 ARG 85 - HG LEU 51 OK 15 64 - 23 - 3.0/4279=2, 3.0/4303=2...(10) HG LEU 45 - HG LEU 51 OK 14 40 - 36 - 6841/2.1=10, ~6842=6...(11) HB ILE 80 - HG LEU 51 OK 13 38 - 35 - ~7403=8, ~7423=6...(11) HG LEU 58 - HG3 ARG 85 OK 13 92 - 14 - 3.0/4310=2, 4301/1.8=1 HB3 GLU 94 - HG3 ARG 85 OK 10 99 - 10 - HB3 PRO 30 - HG3 ARG 85 lone 7 100 - 7 - HB2 LEU 21 - HG3 ARG 85 lone 5 81 - 6 - 421/5.0=1 HB2 GLU 64 - HG3 ARG 85 lone 5 97 - 5 - HB3 GLU 64 - HG3 ARG 85 lone 5 96 - 5 - HB3 LYS 119 - HG3 ARG 85 lone 5 100 - 5 - HG LEU 58 - HG LEU 51 lone 3 54 - 6 - 8506/2.1=1, ~6930=1 HG LEU 45 - HG3 ARG 85 lone 3 73 - 4 - HB3 GLU 94 - HG LEU 51 lone 2 63 - 4 - HB3 LYS 119 - HG LEU 51 lone 2 64 - 3 - 6604/2.1=1 HB3 GLU 69 - HG3 ARG 85 lone 2 100 - 2 - HB ILE 80 - HG3 ARG 85 lone 2 71 - 3 - HB2 LEU 21 - HG LEU 51 lone 2 45 - 4 - HB2 GLU 38 - HG LEU 51 lone 2 63 - 3 - HB2 LYS 109 - HG LEU 51 lone 1 59 - 2 - HB2 ARG 71 - HG3 ARG 85 lone 1 68 - 1 - HB2 ARG 71 - HG LEU 51 lone 1 37 - 2 - HB3 GLU 69 - HG LEU 51 lone 1 64 - 1 - HB2 GLU 64 - HG LEU 51 lone 0 59 - 1 - HB3 GLU 64 - HG LEU 51 lone 0 57 - 1 - Peak 4310 from cnoeabs.peaks (1.50, 1.65, 25.37 ppm; 3.21 A): 2 out of 18 assignments used, quality = 1.00: * HG2 ARG 85 + HG3 ARG 85 OK 100 100 - 100 - 1.8=100 HG2 LYS 109 + HG3 ARG 85 OK 46 87 - 54 - 4303=5, 4326/3.0=5...(30) HB3 LEU 58 - HG3 ARG 85 OK 14 97 - 14 - 4326/3.0=1 HG2 ARG 85 - HG LEU 51 OK 13 64 - 20 - 4303=4, 3.0/4327=2...(8) HB2 LEU 24 - HG3 ARG 85 OK 12 99 - 12 - ~6469=1, 4326/3.0=1...(5) HB3 LEU 114 - HG3 ARG 85 OK 11 100 - 11 - 4326/3.0=1, 5070/4.0=1 HB3 LEU 114 - HG LEU 51 poor 9 64 - 15 - ~7946=4, ~6929=4...(4) HG3 ARG 92 - HG3 ARG 85 lone 9 97 - 9 - 4326/3.0=1 HG2 ARG 92 - HG3 ARG 85 lone 9 96 - 9 - 4326/3.0=1 HG LEU 93 - HG3 ARG 85 lone 6 99 - 6 - 422/5.0=1 HG LEU 91 - HG3 ARG 85 lone 6 98 - 6 - HB3 LEU 58 - HG LEU 51 lone 2 58 - 4 - HG LEU 91 - HG LEU 51 lone 2 60 - 3 - HG LEU 93 - HG LEU 51 lone 1 63 - 2 - ~6929=1 HB2 LEU 24 - HG LEU 51 lone 1 61 - 2 - HG2 LYS 109 - HG LEU 51 lone 1 50 - 1 - HG3 ARG 92 - HG LEU 51 lone 1 59 - 1 - HG2 ARG 92 - HG LEU 51 lone 1 57 - 1 - Peak 4311 from cnoeabs.peaks (1.65, 1.65, 25.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 85 + HG3 ARG 85 OK 100 100 - 100 HG LEU 51 + HG LEU 51 OK 58 58 - 100 Peak 4312 from cnoeabs.peaks (3.04, 1.65, 25.37 ppm; 3.97 A): 3 out of 8 assignments used, quality = 1.00: * HD2 ARG 85 + HG3 ARG 85 OK 100 100 - 100 - 3.0=100 HE2 LYS 109 + HG3 ARG 85 OK 60 97 - 62 - 4328/3.0=8, 4304/1.8=6...(30) HE3 LYS 109 + HG3 ARG 85 OK 60 97 - 62 - 4328/3.0=8, 4304/1.8=6...(30) HD2 ARG 85 - HG LEU 51 OK 15 64 - 23 - 1.8/4327=4, 4319=3...(12) HB2 TYR 102 - HG3 ARG 85 OK 12 100 - 12 - 4328/3.0=1, 8711/4.0=1...(5) HB2 TYR 102 - HG LEU 51 lone 5 63 - 8 - ~6939=3, ~6941=2, ~4744=1 HE3 LYS 109 - HG LEU 51 lone 1 59 - 2 - HE2 LYS 109 - HG LEU 51 lone 1 59 - 2 - Peak 4313 from cnoeabs.peaks (3.33, 1.65, 25.37 ppm; 3.87 A): 1 out of 8 assignments used, quality = 1.00: * HD3 ARG 85 + HG3 ARG 85 OK 100 100 - 100 - 3.0=100 HB3 PHE 40 - HG3 ARG 85 OK 22 89 - 25 - 4305/1.8=4, 4281/4.1=2...(14) HD3 PRO 60 - HG3 ARG 85 OK 22 100 - 21 - 4305/1.8=4, 8710/4.0=3...(10) HD2 ARG 57 - HG3 ARG 85 OK 17 87 - 20 - 4305/1.8=3, 8710/4.0=2...(11) HD3 ARG 85 - HG LEU 51 OK 15 64 - 23 - 4327=5, 3.0/4303=3...(10) HD3 PRO 60 - HG LEU 51 OK 14 63 - 23 - ~3096=4, ~3103=3...(8) HB3 PHE 40 - HG LEU 51 OK 10 51 - 21 - ~6938=4, ~4672=4...(7) HD2 ARG 57 - HG LEU 51 poor 7 50 - 14 - 7042/2.1=3, ~7043=3...(7) Peak 4315 from cnoeabs.peaks (3.93, 3.04, 42.24 ppm; 5.20 A): 1 out of 39 assignments used, quality = 0.98: * HA ARG 85 + HD2 ARG 85 OK 98 100 - 98 - 5.4=89, 4281/1.8=30...(10) HA THR 23 - HD2 ARG 85 OK 37 100 - 37 - 2182/6.2=8, 4323/1.8=6...(8) HA ARG 85 - HE3 LYS 109 OK 33 55 - 61 - 4280=12, 4280/1.8=11...(18) HA ARG 85 - HE2 LYS 109 OK 33 55 - 61 - 4280=12, 4280/1.8=11...(18) HA ILE 34 - HD2 ARG 85 OK 21 63 - 34 - ~6639=5, ~4327=4...(14) HA ALA 43 - HE3 LYS 109 OK 14 50 - 28 - 6803/3.5=6, 6804/3.0=4...(9) HA ALA 43 - HE2 LYS 109 OK 14 50 - 28 - 6803/3.5=6, 6804/3.0=4...(9) HA2 GLY 25 - HD2 ARG 85 OK 13 100 - 13 - ~85=3, 4323/1.8=2...(5) HD3 PRO 68 - HD2 ARG 85 OK 12 89 - 14 - 4323/1.8=2, 4307/3.0=2...(6) HD2 PRO 68 - HD2 ARG 85 OK 12 85 - 14 - 4323/1.8=2, ~4323=2...(6) HA ALA 43 - HD2 ARG 85 OK 11 97 - 11 - 4323/1.8=2, 4307/3.0=2...(4) HB THR 62 - HD2 ARG 85 lone 8 89 - 9 - 4307/3.0=2, 1191/6.2=1...(4) HA3 GLY 125 - HD2 ARG 85 lone 5 81 - 6 - HA2 GLY 125 - HD2 ARG 85 lone 5 81 - 6 - HA SER 74 - HD2 ARG 85 lone 3 89 - 3 - HD3 PRO 68 - HE3 LYS 109 lone 3 43 - 7 - HD3 PRO 68 - HE2 LYS 109 lone 3 43 - 7 - HD2 PRO 68 - HE3 LYS 109 lone 3 41 - 7 - HD2 PRO 68 - HE2 LYS 109 lone 3 41 - 7 - HA THR 23 - HE2 LYS 109 lone 2 55 - 4 - HA THR 23 - HE3 LYS 109 lone 2 55 - 4 - HA2 GLY 25 - HE2 LYS 109 lone 2 55 - 4 - HA2 GLY 25 - HE3 LYS 109 lone 2 55 - 4 - HA3 GLY 2 - HD2 ARG 85 lone 2 63 - 3 - HA2 GLY 2 - HD2 ARG 85 lone 2 63 - 3 - HB THR 62 - HE2 LYS 109 lone 1 43 - 3 - HB THR 62 - HE3 LYS 109 lone 1 43 - 3 - HA ILE 34 - HE2 LYS 109 lone 1 28 - 3 - HA ILE 34 - HE3 LYS 109 lone 1 28 - 3 - HA SER 74 - HE2 LYS 109 lone 1 43 - 2 - HA SER 74 - HE3 LYS 109 lone 1 43 - 2 - HA2 GLY 125 - HE2 LYS 109 lone 1 38 - 2 - HA2 GLY 125 - HE3 LYS 109 lone 1 38 - 2 - HA3 GLY 125 - HE3 LYS 109 lone 1 38 - 2 - HA3 GLY 125 - HE2 LYS 109 lone 1 38 - 2 - HA2 GLY 2 - HE2 LYS 109 lone 0 28 - 1 - HA3 GLY 2 - HE3 LYS 109 lone 0 28 - 1 - HA3 GLY 2 - HE2 LYS 109 lone 0 28 - 1 - HA2 GLY 2 - HE3 LYS 109 lone 0 28 - 1 - Peak 4316 from cnoeabs.peaks (1.95, 3.04, 42.24 ppm; 3.91 A): 5 out of 45 assignments used, quality = 1.00: * HB2 ARG 85 + HD2 ARG 85 OK 100 100 - 100 - 3.9=100 HB3 ARG 85 + HD2 ARG 85 OK 100 100 - 100 - 3.9=100 HB2 LYS 109 + HD2 ARG 85 OK 55 97 - 57 - 4324/1.8=7, 4898=6...(26) HB2 LYS 109 + HE3 LYS 109 OK 46 51 - 91 - 4.7=58, 1.8/4909=9...(29) HB2 LYS 109 + HE2 LYS 109 OK 46 51 - 91 - 4.7=58, 1.8/4909=9...(29) HB2 ARG 85 - HE3 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HB2 ARG 85 - HE2 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HB3 ARG 85 - HE2 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HB3 ARG 85 - HE3 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HG LEU 58 - HE2 LYS 109 OK 13 46 - 29 - 4922/3.5=4, 3370/4.7=4...(12) HG LEU 58 - HE3 LYS 109 OK 13 46 - 29 - 4922/3.5=4, 3370/4.7=4...(12) HG LEU 58 - HD2 ARG 85 OK 12 92 - 13 - 4324/1.8=2, ~4326=1...(5) HB3 LYS 119 - HE3 LYS 109 poor 9 55 - 17 - 4922/3.5=3, 4902/4.7=2...(10) HB3 LYS 119 - HE2 LYS 109 poor 9 55 - 17 - 4922/3.5=3, 4902/4.7=2...(10) HB2 GLU 38 - HD2 ARG 85 lone 9 99 - 9 - ~6007=2, ~3305=1...(4) HB3 PRO 30 - HE2 LYS 109 poor 7 55 - 13 - 4922/3.5=2, 4902/4.7=1...(5) HB3 PRO 30 - HE3 LYS 109 poor 7 55 - 13 - 4922/3.5=2, 4902/4.7=1...(5) HB2 GLU 64 - HD2 ARG 85 lone 5 97 - 5 - HB3 GLU 64 - HD2 ARG 85 lone 5 96 - 5 - HB3 GLU 94 - HD2 ARG 85 lone 5 99 - 5 - HB3 LYS 119 - HD2 ARG 85 lone 4 100 - 4 - HB3 PRO 30 - HD2 ARG 85 lone 4 100 - 4 - HB2 LEU 21 - HD2 ARG 85 lone 3 81 - 4 - HB ILE 80 - HE2 LYS 109 lone 3 32 - 8 - 3.2/7414=3, ~7414=2 HB ILE 80 - HE3 LYS 109 lone 3 32 - 8 - 3.2/7414=3, ~7414=2 HB ILE 80 - HD2 ARG 85 lone 2 71 - 3 - 3.2/7414=1 HG LEU 45 - HD2 ARG 85 lone 2 73 - 3 - HB2 GLU 38 - HE3 LYS 109 lone 2 54 - 3 - HB2 GLU 38 - HE2 LYS 109 lone 2 54 - 3 - HB3 GLU 69 - HD2 ARG 85 lone 2 100 - 2 - HB2 GLU 64 - HE2 LYS 109 lone 1 51 - 3 - HB2 GLU 64 - HE3 LYS 109 lone 1 51 - 3 - HB3 GLU 64 - HE3 LYS 109 lone 1 49 - 3 - HB3 GLU 64 - HE2 LYS 109 lone 1 49 - 3 - HG LEU 45 - HE3 LYS 109 lone 1 34 - 3 - HG LEU 45 - HE2 LYS 109 lone 1 34 - 3 - HB3 GLU 94 - HE2 LYS 109 lone 1 54 - 2 - HB3 GLU 94 - HE3 LYS 109 lone 1 54 - 2 - HB3 GLU 69 - HE3 LYS 109 lone 1 55 - 2 - HB3 GLU 69 - HE2 LYS 109 lone 1 55 - 2 - HB2 LEU 21 - HE3 LYS 109 lone 1 38 - 2 - HB2 LEU 21 - HE2 LYS 109 lone 1 38 - 2 - HB2 ARG 71 - HD2 ARG 85 lone 1 68 - 1 - HB2 ARG 71 - HE2 LYS 109 lone 0 31 - 1 - HB2 ARG 71 - HE3 LYS 109 lone 0 31 - 1 - Peak 4317 from cnoeabs.peaks (1.95, 3.04, 42.24 ppm; 3.91 A): 5 out of 45 assignments used, quality = 1.00: HB2 ARG 85 + HD2 ARG 85 OK 100 100 - 100 - 3.9=100 * HB3 ARG 85 + HD2 ARG 85 OK 100 100 - 100 - 3.9=100 HB2 LYS 109 + HD2 ARG 85 OK 55 97 - 57 - 4324/1.8=7, 4898=6...(26) HB2 LYS 109 + HE3 LYS 109 OK 46 51 - 91 - 4.7=58, 1.8/4909=9...(29) HB2 LYS 109 + HE2 LYS 109 OK 46 51 - 91 - 4.7=58, 1.8/4909=9...(29) HB2 ARG 85 - HE3 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HB2 ARG 85 - HE2 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HB3 ARG 85 - HE2 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HB3 ARG 85 - HE3 LYS 109 OK 33 55 - 59 - 3.0/4312=7, 3.9/4328=6...(30) HG LEU 58 - HE2 LYS 109 OK 13 46 - 29 - 4922/3.5=4, 3370/4.7=4...(12) HG LEU 58 - HE3 LYS 109 OK 13 46 - 29 - 4922/3.5=4, 3370/4.7=4...(12) HG LEU 58 - HD2 ARG 85 OK 12 92 - 13 - 4324/1.8=2, ~4326=1...(5) HB3 LYS 119 - HE3 LYS 109 poor 9 55 - 17 - 4922/3.5=3, 4902/4.7=2...(10) HB3 LYS 119 - HE2 LYS 109 poor 9 55 - 17 - 4922/3.5=3, 4902/4.7=2...(10) HB2 GLU 38 - HD2 ARG 85 lone 9 99 - 9 - ~6007=2, ~3305=1...(4) HB3 PRO 30 - HE2 LYS 109 poor 7 55 - 13 - 4922/3.5=2, 4902/4.7=1...(5) HB3 PRO 30 - HE3 LYS 109 poor 7 55 - 13 - 4922/3.5=2, 4902/4.7=1...(5) HB2 GLU 64 - HD2 ARG 85 lone 5 97 - 5 - HB3 GLU 64 - HD2 ARG 85 lone 5 96 - 5 - HB3 GLU 94 - HD2 ARG 85 lone 5 99 - 5 - HB3 LYS 119 - HD2 ARG 85 lone 4 100 - 4 - HB3 PRO 30 - HD2 ARG 85 lone 4 100 - 4 - HB2 LEU 21 - HD2 ARG 85 lone 3 81 - 4 - HB ILE 80 - HE2 LYS 109 lone 3 32 - 8 - 3.2/7414=3, ~7414=2 HB ILE 80 - HE3 LYS 109 lone 3 32 - 8 - 3.2/7414=3, ~7414=2 HB ILE 80 - HD2 ARG 85 lone 2 71 - 3 - 3.2/7414=1 HG LEU 45 - HD2 ARG 85 lone 2 73 - 3 - HB2 GLU 38 - HE3 LYS 109 lone 2 54 - 3 - HB2 GLU 38 - HE2 LYS 109 lone 2 54 - 3 - HB3 GLU 69 - HD2 ARG 85 lone 2 100 - 2 - HB2 GLU 64 - HE2 LYS 109 lone 1 51 - 3 - HB2 GLU 64 - HE3 LYS 109 lone 1 51 - 3 - HB3 GLU 64 - HE3 LYS 109 lone 1 49 - 3 - HB3 GLU 64 - HE2 LYS 109 lone 1 49 - 3 - HG LEU 45 - HE3 LYS 109 lone 1 34 - 3 - HG LEU 45 - HE2 LYS 109 lone 1 34 - 3 - HB3 GLU 94 - HE2 LYS 109 lone 1 54 - 2 - HB3 GLU 94 - HE3 LYS 109 lone 1 54 - 2 - HB3 GLU 69 - HE3 LYS 109 lone 1 55 - 2 - HB3 GLU 69 - HE2 LYS 109 lone 1 55 - 2 - HB2 LEU 21 - HE3 LYS 109 lone 1 38 - 2 - HB2 LEU 21 - HE2 LYS 109 lone 1 38 - 2 - HB2 ARG 71 - HD2 ARG 85 lone 1 68 - 1 - HB2 ARG 71 - HE2 LYS 109 lone 0 31 - 1 - HB2 ARG 71 - HE3 LYS 109 lone 0 31 - 1 - Peak 4318 from cnoeabs.peaks (1.50, 3.04, 42.24 ppm; 4.01 A): 2 out of 27 assignments used, quality = 1.00: * HG2 ARG 85 + HD2 ARG 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 109 + HD2 ARG 85 OK 53 87 - 62 - 4326/1.8=10, 4310/3.0=7...(28) HG2 LYS 109 - HE2 LYS 109 OK 42 42 - 100 - 3.5=100 HG2 LYS 109 - HE3 LYS 109 OK 42 42 - 100 - 3.5=100 HG2 ARG 85 - HE3 LYS 109 OK 35 55 - 63 - 1.8/4312=9, 3.0/4328=8...(26) HG2 ARG 85 - HE2 LYS 109 OK 35 55 - 63 - 1.8/4312=9, 3.0/4328=8...(26) HB3 LEU 58 - HD2 ARG 85 OK 18 97 - 19 - 4326/1.8=3, 4310/3.0=2...(4) HB3 LEU 114 - HD2 ARG 85 OK 18 100 - 18 - 4326/1.8=3, 5070/2.9=2...(7) HB2 LEU 24 - HD2 ARG 85 OK 17 99 - 17 - ~6469=3, 4326/1.8=2...(7) HG3 ARG 92 - HD2 ARG 85 OK 17 97 - 17 - 4326/1.8=2, 8714/2.9=2...(5) HG2 ARG 92 - HD2 ARG 85 OK 16 96 - 17 - 4326/1.8=2, 8714/2.9=2...(5) HB3 LEU 58 - HE2 LYS 109 OK 15 50 - 31 - 4924/3.5=3, 3363/4.7=3...(12) HB3 LEU 58 - HE3 LYS 109 OK 15 50 - 31 - 4924/3.5=3, 3363/4.7=3...(12) HG LEU 91 - HD2 ARG 85 lone 9 98 - 9 - 4326/1.8=1, 8714/2.9=1 HG LEU 93 - HD2 ARG 85 lone 8 99 - 8 - 4326/1.8=1 HB3 LEU 114 - HE3 LYS 109 lone 2 55 - 3 - HB3 LEU 114 - HE2 LYS 109 lone 2 55 - 3 - HG LEU 93 - HE2 LYS 109 lone 2 54 - 3 - HG LEU 93 - HE3 LYS 109 lone 2 54 - 3 - HG LEU 91 - HE2 LYS 109 lone 2 52 - 3 - HG LEU 91 - HE3 LYS 109 lone 2 52 - 3 - HG3 ARG 92 - HE2 LYS 109 lone 2 51 - 3 - HG3 ARG 92 - HE3 LYS 109 lone 2 51 - 3 - HB2 LEU 24 - HE2 LYS 109 lone 1 52 - 3 - HB2 LEU 24 - HE3 LYS 109 lone 1 52 - 3 - HG2 ARG 92 - HE2 LYS 109 lone 1 49 - 3 - HG2 ARG 92 - HE3 LYS 109 lone 1 49 - 3 - Peak 4319 from cnoeabs.peaks (1.65, 3.04, 42.24 ppm; 3.80 A): 1 out of 33 assignments used, quality = 1.00: * HG3 ARG 85 + HD2 ARG 85 OK 100 100 - 100 - 3.0=100 HG3 ARG 85 - HE3 LYS 109 OK 35 55 - 63 - 4312=10, 4312/1.8=8...(25) HG3 ARG 85 - HE2 LYS 109 OK 35 55 - 63 - 4312=10, 4312/1.8=8...(25) HB ILE 34 - HD2 ARG 85 OK 28 100 - 28 - 4327/1.8=5, 4303/3.0=4...(15) HG LEU 51 - HD2 ARG 85 OK 20 97 - 21 - 4327/1.8=4, 4303/3.0=3...(8) HG LEU 27 - HD2 ARG 85 OK 13 99 - 13 - 4327/1.8=2, 8713/2.9=2...(4) HB3 LEU 41 - HD2 ARG 85 OK 13 97 - 13 - 4327/1.8=3, 4303/3.0=2...(4) HB2 LEU 59 - HD2 ARG 85 OK 10 81 - 13 - 4327/1.8=2, ~7075=2...(6) HB3 GLN 42 - HD2 ARG 85 lone 7 98 - 7 - 4327/1.8=1 HB3 LYS 32 - HD2 ARG 85 lone 4 99 - 4 - HB3 GLN 42 - HE3 LYS 109 lone 4 52 - 7 - 5569/6.9=1 HB3 GLN 42 - HE2 LYS 109 lone 4 52 - 7 - 5569/6.9=1 HD2 LYS 31 - HD2 ARG 85 lone 3 73 - 4 - HD3 LYS 31 - HD2 ARG 85 lone 3 73 - 4 - HG LEU 101 - HD2 ARG 85 lone 3 68 - 4 - HB3 LYS 32 - HE2 LYS 109 lone 2 54 - 4 - HB3 LYS 32 - HE3 LYS 109 lone 2 54 - 4 - HD2 LYS 31 - HE3 LYS 109 lone 2 34 - 6 - HD2 LYS 31 - HE2 LYS 109 lone 2 34 - 6 - HD3 LYS 31 - HE3 LYS 109 lone 2 34 - 6 - HD3 LYS 31 - HE2 LYS 109 lone 2 34 - 6 - HB ILE 34 - HE3 LYS 109 lone 2 55 - 3 - HB ILE 34 - HE2 LYS 109 lone 2 55 - 3 - HG LEU 51 - HE3 LYS 109 lone 1 50 - 2 - HG LEU 51 - HE2 LYS 109 lone 1 50 - 2 - HG LEU 27 - HE2 LYS 109 lone 1 53 - 2 - HG LEU 27 - HE3 LYS 109 lone 1 53 - 2 - HG LEU 101 - HE2 LYS 109 lone 1 31 - 3 - HG LEU 101 - HE3 LYS 109 lone 1 31 - 3 - HB3 LEU 41 - HE3 LYS 109 lone 1 50 - 1 - HB3 LEU 41 - HE2 LYS 109 lone 1 50 - 1 - HB2 LEU 59 - HE3 LYS 109 lone 1 38 - 1 - HB2 LEU 59 - HE2 LYS 109 lone 1 38 - 1 - Peak 4320 from cnoeabs.peaks (3.04, 3.04, 42.24 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 85 + HD2 ARG 85 OK 100 100 - 100 HE3 LYS 109 + HE3 LYS 109 OK 51 51 - 100 HE2 LYS 109 + HE2 LYS 109 OK 51 51 - 100 Peak 4321 from cnoeabs.peaks (3.33, 3.04, 42.24 ppm; 2.99 A): 1 out of 12 assignments used, quality = 1.00: * HD3 ARG 85 + HD2 ARG 85 OK 100 100 - 100 - 1.8=100 HD3 ARG 85 - HE2 LYS 109 OK 24 55 - 44 - 4328=10, 4328/1.8=7...(15) HD3 ARG 85 - HE3 LYS 109 OK 24 55 - 44 - 4328=10, 4328/1.8=7...(15) HD3 PRO 60 - HD2 ARG 85 OK 13 100 - 13 - 8710/2.9=2, 4305/3.0=2...(5) HD2 ARG 57 - HD2 ARG 85 OK 11 87 - 13 - 8710/2.9=2, 4305/3.0=2...(7) HB3 PHE 40 - HD2 ARG 85 OK 11 89 - 12 - 4313/3.0=2, 4305/3.0=2...(7) HB3 PHE 40 - HE2 LYS 109 lone 1 43 - 2 - HB3 PHE 40 - HE3 LYS 109 lone 1 43 - 2 - HD2 ARG 57 - HE3 LYS 109 lone 1 42 - 1 - HD2 ARG 57 - HE2 LYS 109 lone 1 42 - 1 - HD3 PRO 60 - HE3 LYS 109 lone 1 54 - 1 - HD3 PRO 60 - HE2 LYS 109 lone 1 54 - 1 - Peak 4323 from cnoeabs.peaks (3.93, 3.33, 42.24 ppm; 5.19 A): 1 out of 13 assignments used, quality = 0.97: * HA ARG 85 + HD3 ARG 85 OK 97 100 - 97 - 5.4=88, 4279/3.0=23...(12) HA THR 23 - HD3 ARG 85 OK 35 100 - 35 - 2182/6.2=8, 4299/3.0=6...(8) HA ILE 34 - HD3 ARG 85 OK 21 63 - 34 - 3.0/4327=6, 3.2/6639=6...(14) HA2 GLY 25 - HD3 ARG 85 OK 14 100 - 14 - ~85=3, 4299/3.0=2...(6) HD3 PRO 68 - HD3 ARG 85 OK 12 89 - 13 - 4307/3.0=2, 4299/3.0=2...(7) HD2 PRO 68 - HD3 ARG 85 OK 11 85 - 13 - 4307/3.0=2, 4299/3.0=2...(7) HA ALA 43 - HD3 ARG 85 poor 10 97 - 10 - 4307/3.0=2, 4299/3.0=2...(4) HB THR 62 - HD3 ARG 85 lone 7 89 - 8 - 4307/3.0=2, 1191/6.2=1 HA2 GLY 125 - HD3 ARG 85 lone 4 81 - 5 - HA3 GLY 125 - HD3 ARG 85 lone 4 81 - 5 - HA SER 74 - HD3 ARG 85 lone 3 89 - 4 - HA3 GLY 2 - HD3 ARG 85 lone 2 63 - 3 - HA2 GLY 2 - HD3 ARG 85 lone 2 63 - 3 - Peak 4324 from cnoeabs.peaks (1.95, 3.33, 42.24 ppm; 3.96 A): 3 out of 15 assignments used, quality = 1.00: * HB2 ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 3.9=100 HB3 ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 3.9=100 HB2 LYS 109 + HD3 ARG 85 OK 63 97 - 65 - 2.9/4326=7, 8712/2.9=6...(36) HG LEU 58 - HD3 ARG 85 OK 13 92 - 14 - 3.0/4326=2, 3371/3.0=1...(4) HB2 GLU 38 - HD3 ARG 85 lone 10 99 - 10 - ~6007=2, 1.8/3305=1, 4309/3.0=1 HB2 GLU 64 - HD3 ARG 85 lone 5 97 - 5 - HB3 GLU 94 - HD3 ARG 85 lone 5 99 - 5 - HB3 GLU 64 - HD3 ARG 85 lone 5 96 - 5 - HB3 LYS 119 - HD3 ARG 85 lone 4 100 - 4 - HB3 PRO 30 - HD3 ARG 85 lone 4 100 - 4 - HB2 LEU 21 - HD3 ARG 85 lone 4 81 - 4 - HG LEU 45 - HD3 ARG 85 lone 2 73 - 3 - HB ILE 80 - HD3 ARG 85 lone 2 71 - 3 - HB3 GLU 69 - HD3 ARG 85 lone 2 100 - 2 - HB2 ARG 71 - HD3 ARG 85 lone 1 68 - 1 - Peak 4325 from cnoeabs.peaks (1.95, 3.33, 42.24 ppm; 3.96 A): 3 out of 15 assignments used, quality = 1.00: HB2 ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 3.9=100 * HB3 ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 3.9=100 HB2 LYS 109 + HD3 ARG 85 OK 63 97 - 65 - 2.9/4326=7, 8712/2.9=6...(36) HG LEU 58 - HD3 ARG 85 OK 13 92 - 14 - 3.0/4326=2, 3371/3.0=1...(4) HB2 GLU 38 - HD3 ARG 85 lone 10 99 - 10 - ~6007=2, 1.8/3305=1, 4309/3.0=1 HB2 GLU 64 - HD3 ARG 85 lone 5 97 - 5 - HB3 GLU 94 - HD3 ARG 85 lone 5 99 - 5 - HB3 GLU 64 - HD3 ARG 85 lone 5 96 - 5 - HB3 LYS 119 - HD3 ARG 85 lone 4 100 - 4 - HB3 PRO 30 - HD3 ARG 85 lone 4 100 - 4 - HB2 LEU 21 - HD3 ARG 85 lone 4 81 - 4 - HG LEU 45 - HD3 ARG 85 lone 2 73 - 3 - HB ILE 80 - HD3 ARG 85 lone 2 71 - 3 - HB3 GLU 69 - HD3 ARG 85 lone 2 100 - 2 - HB2 ARG 71 - HD3 ARG 85 lone 1 68 - 1 - Peak 4326 from cnoeabs.peaks (1.50, 3.33, 42.24 ppm; 3.69 A): 2 out of 9 assignments used, quality = 1.00: * HG2 ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 109 + HD3 ARG 85 OK 57 87 - 66 - 4305=7, 3.5/4328=6...(36) HB3 LEU 58 - HD3 ARG 85 OK 17 97 - 18 - 4.6/7073=2, 4310/3.0=2...(5) HB3 LEU 114 - HD3 ARG 85 OK 15 100 - 15 - 5070/2.9=2, 4.0/7504=2...(5) HB2 LEU 24 - HD3 ARG 85 OK 15 99 - 15 - 3.1/6469=4, 4310/3.0=2...(6) HG3 ARG 92 - HD3 ARG 85 OK 14 97 - 14 - 8714/2.9=1, 4310/3.0=1...(4) HG2 ARG 92 - HD3 ARG 85 OK 14 96 - 14 - 8714/2.9=2, 4310/3.0=1...(4) HG LEU 91 - HD3 ARG 85 lone 8 98 - 8 - HG LEU 93 - HD3 ARG 85 lone 7 99 - 7 - Peak 4327 from cnoeabs.peaks (1.65, 3.33, 42.24 ppm; 3.72 A): 1 out of 11 assignments used, quality = 1.00: * HG3 ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 3.0=100 HB ILE 34 - HD3 ARG 85 OK 28 100 - 28 - 2.1/6639=5, 4303/3.0=4...(14) HG LEU 51 - HD3 ARG 85 OK 20 97 - 21 - 4313=3, 4303/3.0=2...(8) HB3 LEU 41 - HD3 ARG 85 OK 16 97 - 16 - 4.1/164=3, 4303/3.0=2...(5) HG LEU 27 - HD3 ARG 85 OK 13 99 - 13 - 8713/2.9=2, 4303/3.0=2...(4) HB2 LEU 59 - HD3 ARG 85 OK 13 81 - 16 - 3.0/7075=3, 3.7/7073=3...(7) HB3 GLN 42 - HD3 ARG 85 lone 8 98 - 8 - HG LEU 101 - HD3 ARG 85 lone 5 68 - 7 - 4.9/7503=3 HB3 LYS 32 - HD3 ARG 85 lone 4 99 - 4 - HD3 LYS 31 - HD3 ARG 85 lone 3 73 - 4 - HD2 LYS 31 - HD3 ARG 85 lone 3 73 - 4 - Peak 4328 from cnoeabs.peaks (3.04, 3.33, 42.24 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 1.8=100 HE2 LYS 109 - HD3 ARG 85 OK 38 97 - 40 - 4321=6, 1.8/4321=4...(15) HE3 LYS 109 - HD3 ARG 85 OK 38 97 - 40 - 4321=6, 1.8/4321=4...(15) HB2 TYR 102 - HD3 ARG 85 lone 6 100 - 6 - Peak 4329 from cnoeabs.peaks (3.33, 3.33, 42.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 85 + HD3 ARG 85 OK 100 100 - 100 Peak 4330 from cnoeabs.peaks (8.56, 3.40, 47.05 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: * H GLY 86 + HA2 GLY 86 OK 100 100 - 100 - 3.0=100 H ARG 53 - HA2 GLY 86 OK 30 90 - 33 - 1620=7, 4333/1.8=4...(11) H LEU 41 - HA2 GLY 86 OK 11 87 - 13 - 426/3.6=3, 4333/1.8=3...(4) H GLU 94 - HA2 GLY 86 OK 10 83 - 12 - 426/3.6=3, 4333/1.8=2 H VAL 18 - HA2 GLY 86 lone 6 65 - 9 - 4333/1.8=3, 426/3.6=2...(4) H ILE 34 - HA2 GLY 86 lone 3 63 - 5 - 4.0/6640=2 Peak 4331 from cnoeabs.peaks (3.40, 3.40, 47.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 86 + HA2 GLY 86 OK 100 100 - 100 Peak 4332 from cnoeabs.peaks (3.72, 3.40, 47.05 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 86 + HA2 GLY 86 OK 100 100 - 100 - 1.8=100 HB3 SER 90 - HA2 GLY 86 OK 23 96 - 24 - 3.8/1720=6, 7578/7509=5...(8) HB2 TRP 20 - HA2 GLY 86 lone 7 90 - 8 - ~2040=2, 428/3.6=1...(4) HA LEU 54 - HA2 GLY 86 lone 6 68 - 8 - 3.0/1626=2, 1200/3.0=1, ~235=1 HA GLU 73 - HA2 GLY 86 lone 2 78 - 3 - HA2 GLY 104 - HA2 GLY 86 lone 2 99 - 2 - Peak 4333 from cnoeabs.peaks (8.56, 3.72, 47.05 ppm; 3.96 A): 1 out of 6 assignments used, quality = 1.00: * H GLY 86 + HA3 GLY 86 OK 100 100 - 100 - 3.0=100 H ARG 53 - HA3 GLY 86 OK 16 90 - 18 - 1620/1.8=7, 426/3.6=4...(4) H VAL 18 - HA3 GLY 86 OK 10 65 - 15 - 3.5/5967=4, 4.4/8459=3...(7) H LEU 41 - HA3 GLY 86 poor 10 87 - 11 - 426/3.6=3, 4330/1.8=3...(4) H GLU 94 - HA3 GLY 86 lone 8 83 - 10 - 426/3.6=3, 4330/1.8=2 H ILE 34 - HA3 GLY 86 lone 2 63 - 4 - Peak 4334 from cnoeabs.peaks (3.40, 3.72, 47.05 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 86 + HA3 GLY 86 OK 100 100 - 100 - 1.8=100 HA LEU 21 - HA3 GLY 86 OK 12 65 - 19 - 3.0/57=3, 427/3.6=3...(7) HA VAL 50 - HA3 GLY 86 OK 11 85 - 13 - 1199/3.0=3, 427/3.6=2...(6) HD2 PRO 37 - HA3 GLY 86 poor 8 76 - 10 - ~2662=2, ~2690=2...(6) Peak 4335 from cnoeabs.peaks (3.72, 3.72, 47.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 86 + HA3 GLY 86 OK 100 100 - 100 Peak 4336 from cnoeabs.peaks (8.30, 3.76, 63.81 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 87 + HA CYS 87 OK 100 100 - 100 - 3.0=100 H ILE 22 - HA CYS 87 OK 23 100 - 23 - 429/3.6=4, 4344/3.0=4...(7) H GLY 125 - HA CYS 87 poor 9 85 - 10 - 429/3.6=2, 4.4/7534=2...(5) H THR 62 - HA CYS 87 lone 6 76 - 8 - 429/3.6=2, ~3486=1...(4) H TRP 20 - HA CYS 87 lone 2 65 - 3 - Peak 4337 from cnoeabs.peaks (3.76, 3.76, 63.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 87 + HA CYS 87 OK 100 100 - 100 Peak 4338 from cnoeabs.peaks (2.27, 3.76, 63.81 ppm; 3.48 A): 1 out of 11 assignments used, quality = 1.00: * HB2 CYS 87 + HA CYS 87 OK 100 100 - 100 - 3.0=100 HG3 GLU 38 - HA CYS 87 poor 8 63 - 13 - 1.8/2724=2, 2724=1...(5) HG3 GLU 94 - HA CYS 87 lone 7 100 - 8 - 1203/3.0=2, 4346/3.0=1 HG2 GLU 38 - HA CYS 87 poor 7 60 - 12 - 1.8/2724=2, 2724=1...(5) HB VAL 120 - HA CYS 87 lone 5 60 - 8 - ~7526=3, 1203/3.0=1 HG3 GLN 105 - HA CYS 87 lone 4 95 - 4 - HG2 GLN 105 - HA CYS 87 lone 4 93 - 4 - HG2 GLU 56 - HA CYS 87 lone 3 76 - 5 - HG2 GLU 94 - HA CYS 87 lone 3 57 - 5 - HG3 GLU 15 - HA CYS 87 lone 3 87 - 3 - HB2 PRO 70 - HA CYS 87 lone 2 71 - 3 - Peak 4339 from cnoeabs.peaks (2.46, 3.76, 63.81 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 87 + HA CYS 87 OK 100 100 - 100 - 3.0=100 HB2 CYS 52 - HA CYS 87 OK 14 90 - 15 - 1204/3.0=4, 4343/3.0=3...(6) Peak 4340 from cnoeabs.peaks (8.30, 2.27, 26.74 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 87 + HB2 CYS 87 OK 100 100 - 100 - 3.6=100 H ILE 22 - HB2 CYS 87 OK 20 100 - 20 - 4344/1.8=5, 4336/3.0=5...(5) H GLY 125 - HB2 CYS 87 poor 9 85 - 10 - 4344/1.8=2, 4336/3.0=2...(5) H THR 62 - HB2 CYS 87 lone 6 76 - 7 - 4344/1.8=1, 429/4.2=1 H TRP 20 - HB2 CYS 87 lone 2 65 - 3 - Peak 4341 from cnoeabs.peaks (3.76, 2.27, 26.74 ppm; 3.53 A): 1 out of 11 assignments used, quality = 1.00: * HA CYS 87 + HB2 CYS 87 OK 100 100 - 100 - 3.0=100 HB3 SER 90 - HB2 CYS 87 OK 22 73 - 30 - ~6166=5, 4.4/7519=5...(9) HA GLU 38 - HB2 CYS 87 OK 11 100 - 11 - 4345/1.8=3, 1202/3.6=2 HD2 PRO 30 - HB2 CYS 87 lone 9 98 - 9 - 4345/1.8=2, 1202/3.6=1 HB3 SER 35 - HB2 CYS 87 lone 6 100 - 5 - 4345/1.8=1 HA LEU 54 - HB2 CYS 87 lone 6 97 - 6 - 4345/1.8=1 HB3 SER 13 - HB2 CYS 87 lone 5 99 - 5 - 4345/1.8=1 HA GLU 73 - HB2 CYS 87 lone 3 93 - 4 - HB3 SER 74 - HB2 CYS 87 lone 2 73 - 2 - HB2 SER 74 - HB2 CYS 87 lone 2 71 - 2 - HB2 SER 72 - HB2 CYS 87 lone 2 85 - 2 - Peak 4342 from cnoeabs.peaks (2.27, 2.27, 26.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 87 + HB2 CYS 87 OK 100 100 - 100 Peak 4343 from cnoeabs.peaks (2.46, 2.27, 26.74 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 87 + HB2 CYS 87 OK 100 100 - 100 - 1.8=100 HB2 CYS 52 - HB2 CYS 87 lone 9 90 - 10 - 4339/3.0=2, 1204/3.6=2...(5) Peak 4344 from cnoeabs.peaks (8.30, 2.46, 26.74 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 87 + HB3 CYS 87 OK 100 100 - 100 - 3.6=100 H ILE 22 - HB3 CYS 87 OK 18 100 - 18 - 4340/1.8=5, 4336/3.0=5...(5) H GLY 125 - HB3 CYS 87 lone 7 85 - 8 - 4340/1.8=2, 4336/3.0=2...(4) H THR 62 - HB3 CYS 87 lone 5 76 - 6 - 4340/1.8=1, 429/4.2=1 H TRP 20 - HB3 CYS 87 lone 2 65 - 3 - Peak 4345 from cnoeabs.peaks (3.76, 2.46, 26.74 ppm; 3.61 A): 1 out of 11 assignments used, quality = 1.00: * HA CYS 87 + HB3 CYS 87 OK 100 100 - 100 - 3.0=100 HB3 SER 90 - HB3 CYS 87 OK 18 73 - 25 - ~6166=5, 4341/1.8=5...(8) HA GLU 38 - HB3 CYS 87 OK 12 100 - 12 - 4341/1.8=3, 1202/3.6=2 HD2 PRO 30 - HB3 CYS 87 lone 9 98 - 9 - 4341/1.8=2, 1202/3.6=1 HB3 SER 35 - HB3 CYS 87 lone 6 100 - 6 - 4341/1.8=1 HB3 SER 13 - HB3 CYS 87 lone 5 99 - 5 - 4341/1.8=1 HA LEU 54 - HB3 CYS 87 lone 5 97 - 5 - 4341/1.8=1 HA GLU 73 - HB3 CYS 87 lone 3 93 - 3 - HB3 SER 74 - HB3 CYS 87 lone 2 73 - 2 - HB2 SER 74 - HB3 CYS 87 lone 2 71 - 2 - HB2 SER 72 - HB3 CYS 87 lone 2 85 - 2 - Peak 4346 from cnoeabs.peaks (2.27, 2.46, 26.74 ppm; 2.84 A): 1 out of 11 assignments used, quality = 1.00: * HB2 CYS 87 + HB3 CYS 87 OK 100 100 - 100 - 1.8=100 HG3 GLU 94 - HB3 CYS 87 lone 5 100 - 5 - HG3 GLU 38 - HB3 CYS 87 lone 4 63 - 6 - HG2 GLU 38 - HB3 CYS 87 lone 4 60 - 6 - HB VAL 120 - HB3 CYS 87 lone 3 60 - 4 - HG2 GLU 56 - HB3 CYS 87 lone 2 76 - 3 - HG3 GLN 105 - HB3 CYS 87 lone 2 95 - 2 - HG2 GLN 105 - HB3 CYS 87 lone 2 93 - 2 - HG2 GLU 94 - HB3 CYS 87 lone 2 57 - 3 - HG3 GLU 15 - HB3 CYS 87 lone 2 87 - 2 - HB2 PRO 70 - HB3 CYS 87 lone 1 71 - 2 - Peak 4347 from cnoeabs.peaks (2.46, 2.46, 26.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 87 + HB3 CYS 87 OK 100 100 - 100 Peak 4348 from cnoeabs.peaks (7.86, 3.81, 46.68 ppm; 3.47 A): 2 out of 12 assignments used, quality = 1.00: * H GLY 88 + HA2 GLY 88 OK 100 100 - 100 - 3.0=100 H GLY 88 + HA3 GLY 88 OK 100 100 - 100 - 3.0=100 H ASN 79 - HA3 GLY 39 poor 5 39 - 13 - 1663/1.8=3, 1154/2.9=3...(5) H PHE 83 - HA3 GLY 88 lone 5 93 - 6 - ~4190=2, 433/3.6=1 H PHE 83 - HA2 GLY 88 lone 5 93 - 5 - ~4190=2, 433/3.6=1 H ASN 79 - HA3 GLY 88 lone 3 77 - 4 - H ASN 79 - HA2 GLY 88 lone 3 78 - 4 - H GLY 88 - HA3 GLY 39 lone 3 59 - 5 - H PHE 83 - HA3 GLY 39 lone 2 50 - 5 - 1486/3.6=3 H ASP 36 - HA2 GLY 88 lone 1 87 - 1 - H ASP 36 - HA3 GLY 88 lone 1 86 - 1 - H ASP 36 - HA3 GLY 39 lone 0 45 - 0 - Peak 4349 from cnoeabs.peaks (3.81, 3.81, 46.68 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA2 GLY 88 + HA2 GLY 88 OK 100 100 - 100 HA3 GLY 88 + HA3 GLY 88 OK 100 100 - 100 HA3 GLY 39 + HA3 GLY 39 OK 58 58 - 100 Peak 4350 from cnoeabs.peaks (3.81, 3.81, 46.68 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 88 + HA3 GLY 88 OK 100 100 - 100 HA2 GLY 88 + HA2 GLY 88 OK 100 100 - 100 HA3 GLY 39 + HA3 GLY 39 OK 57 57 - 100 Reference assignment not found: HA3 GLY 88 - HA2 GLY 88 Peak 4351 from cnoeabs.peaks (7.86, 3.81, 46.68 ppm; 3.47 A): 2 out of 12 assignments used, quality = 1.00: * H GLY 88 + HA3 GLY 88 OK 100 100 - 100 - 3.0=100 H GLY 88 + HA2 GLY 88 OK 100 100 - 100 - 3.0=100 H PHE 83 - HA3 GLY 88 lone 5 93 - 6 - ~4190=2, 433/3.6=1 H PHE 83 - HA2 GLY 88 lone 5 93 - 5 - ~4190=2, 433/3.6=1 H ASN 79 - HA3 GLY 39 poor 5 38 - 13 - 1663/1.8=3, 1154/2.9=3...(5) H ASN 79 - HA3 GLY 88 lone 3 78 - 4 - H ASN 79 - HA2 GLY 88 lone 3 77 - 4 - H GLY 88 - HA3 GLY 39 lone 3 57 - 5 - H PHE 83 - HA3 GLY 39 lone 2 49 - 5 - 1486/3.6=3 H ASP 36 - HA3 GLY 88 lone 1 87 - 1 - H ASP 36 - HA2 GLY 88 lone 1 86 - 1 - H ASP 36 - HA3 GLY 39 lone 0 44 - 0 - Peak 4352 from cnoeabs.peaks (3.81, 3.81, 46.68 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 88 + HA3 GLY 88 OK 100 100 - 100 HA2 GLY 88 + HA2 GLY 88 OK 100 100 - 100 HA3 GLY 39 + HA3 GLY 39 OK 57 57 - 100 Reference assignment not found: HA2 GLY 88 - HA3 GLY 88 Peak 4353 from cnoeabs.peaks (3.81, 3.81, 46.68 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA3 GLY 88 + HA3 GLY 88 OK 100 100 - 100 HA2 GLY 88 + HA2 GLY 88 OK 100 100 - 100 HA3 GLY 39 + HA3 GLY 39 OK 55 55 - 100 Peak 4354 from cnoeabs.peaks (7.96, 4.24, 53.63 ppm; 3.47 A): 1 out of 12 assignments used, quality = 1.00: * H ALA 89 + HA ALA 89 OK 100 100 - 100 - 2.9=100 H ARG 92 - HA ALA 89 OK 19 100 - 19 - 436/3.6=7, 4357/2.1=6...(5) H LEU 114 - HA ALA 89 OK 12 92 - 13 - 436/3.6=3, 4357/2.1=3...(4) H VAL 66 - HA ALA 89 OK 10 100 - 10 - 4357/2.1=2, 436/3.6=2, 1090=1 H SER 44 - HA ALA 89 lone 3 98 - 3 - HE ARG 85 - HA ALA 89 lone 1 71 - 1 - H ALA 89 - HA ALA 122 lone 1 34 - 3 - H SER 44 - HA ALA 122 lone 0 31 - 1 - H ARG 92 - HA ALA 122 lone 0 33 - 1 - H LEU 114 - HA ALA 122 lone 0 28 - 1 - H VAL 66 - HA ALA 122 lone 0 33 - 1 - HE ARG 85 - HA ALA 122 lone 0 19 - 0 - Peak 4355 from cnoeabs.peaks (4.24, 4.24, 53.63 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ALA 89 + HA ALA 89 OK 100 100 - 100 HA ALA 122 - HA ALA 122 OK 16 16 - 100 Peak 4356 from cnoeabs.peaks (1.44, 4.24, 53.63 ppm; 2.73 A): 1 out of 34 assignments used, quality = 1.00: * QB ALA 89 + HA ALA 89 OK 100 100 - 100 - 2.1=100 HB3 LEU 91 - HA ALA 89 OK 18 97 - 19 - 438/3.6=3, 5790/2.9=2...(8) QB ALA 122 - HA ALA 122 OK 17 17 - 100 - 2.1=100 HD2 LYS 65 - HA ALA 89 lone 6 100 - 6 - 5680/2.9=1 HD3 LYS 65 - HA ALA 89 lone 6 100 - 6 - 5680/2.9=1 HB2 LEU 93 - HA ALA 89 lone 4 71 - 6 - 438/3.6=1 QB ALA 98 - HA ALA 89 lone 3 89 - 3 - HB3 LEU 101 - HA ALA 89 lone 2 100 - 2 - HG LEU 24 - HA ALA 89 lone 2 97 - 2 - HB3 GLU 75 - HA ALA 89 lone 1 97 - 1 - HB3 LEU 45 - HA ALA 89 lone 1 97 - 1 - HG2 LYS 119 - HA ALA 89 lone 1 83 - 2 - HB2 LEU 51 - HA ALA 89 lone 1 83 - 2 - QB ALA 122 - HA ALA 89 lone 1 65 - 2 - HD2 LYS 46 - HA ALA 89 lone 1 87 - 1 - QB ALA 98 - HA ALA 122 lone 1 26 - 4 - HG3 ARG 57 - HA ALA 89 lone 1 65 - 1 - QB ALA 89 - HA ALA 122 lone 1 34 - 2 - HG3 LYS 31 - HA ALA 89 lone 1 76 - 1 - QB ALA 14 - HA ALA 89 lone 1 71 - 1 - HB2 LEU 51 - HA ALA 122 lone 1 24 - 2 - HB3 LEU 91 - HA ALA 122 lone 0 30 - 1 - HB3 LEU 101 - HA ALA 122 lone 0 34 - 1 - HB2 LEU 93 - HA ALA 122 lone 0 19 - 1 - HG2 LYS 119 - HA ALA 122 lone 0 24 - 1 - HB3 LEU 45 - HA ALA 122 lone 0 31 - 1 - HG3 LYS 31 - HA ALA 122 lone 0 21 - 1 - HD2 LYS 65 - HA ALA 122 lone 0 34 - 0 - HD3 LYS 65 - HA ALA 122 lone 0 34 - 0 - HG LEU 24 - HA ALA 122 lone 0 31 - 0 - HD2 LYS 46 - HA ALA 122 lone 0 25 - 0 - HB3 GLU 75 - HA ALA 122 lone 0 31 - 0 - QB ALA 14 - HA ALA 122 lone 0 19 - 0 - HG3 ARG 57 - HA ALA 122 lone 0 17 - 0 - Peak 4357 from cnoeabs.peaks (7.96, 1.44, 18.69 ppm; 2.94 A): 1 out of 18 assignments used, quality = 1.00: * H ALA 89 + QB ALA 89 OK 100 100 - 100 - 2.9=100 H ARG 92 - QB ALA 89 OK 26 100 - 27 - 436/3.6=5, 446=4...(11) H LEU 114 - QB ALA 89 OK 14 92 - 15 - 1210=2, 436/3.6=2...(5) H VAL 66 - QB ALA 89 lone 10 100 - 10 - 4354/2.1=2, 311=2, 436/3.6=1 H SER 44 - QB ALA 89 lone 3 98 - 3 - H ARG 92 - QB ALA 98 lone 3 65 - 5 - H ALA 89 - QB ALA 98 lone 3 67 - 4 - H LEU 114 - QB ALA 98 lone 2 56 - 3 - HE ARG 85 - QB ALA 89 lone 2 71 - 2 - H ALA 89 - QB ALA 122 lone 2 63 - 2 - H ARG 92 - QB ALA 122 lone 1 61 - 2 - H VAL 66 - QB ALA 98 lone 1 65 - 2 - HE ARG 85 - QB ALA 98 lone 1 40 - 2 - 8745/4.5=1 H LEU 114 - QB ALA 122 lone 1 52 - 1 - H SER 44 - QB ALA 122 lone 1 59 - 1 - H SER 44 - QB ALA 98 lone 0 63 - 1 - H VAL 66 - QB ALA 122 lone 0 61 - 1 - HE ARG 85 - QB ALA 122 lone 0 37 - 0 - Peak 4358 from cnoeabs.peaks (4.24, 1.44, 18.69 ppm; 2.76 A): 1 out of 39 assignments used, quality = 1.00: * HA ALA 89 + QB ALA 89 OK 100 100 - 100 - 2.1=100 HA ALA 122 - QB ALA 122 OK 31 31 - 100 - 2.1=100 HA LEU 58 - QB ALA 89 lone 7 97 - 7 - 437/3.6=2, 3.0/5784=1 HA VAL 66 - QB ALA 89 lone 4 63 - 6 - 3.0/4357=1 HA ILE 22 - QB ALA 89 lone 3 65 - 4 - HA ALA 89 - QB ALA 98 lone 2 67 - 3 - HA THR 17 - QB ALA 89 lone 2 99 - 2 - HA GLU 64 - QB ALA 89 lone 2 89 - 2 - HA LEU 58 - QB ALA 122 lone 2 57 - 3 - HB THR 19 - QB ALA 89 lone 2 99 - 2 - HA3 GLY 48 - QB ALA 89 lone 2 100 - 1 - HA CYS 52 - QB ALA 89 lone 1 81 - 2 - HA ALA 122 - QB ALA 98 lone 1 33 - 4 - HA ALA 89 - QB ALA 122 lone 1 63 - 2 - HB THR 19 - QB ALA 98 lone 1 65 - 2 - HA VAL 26 - QB ALA 98 lone 1 45 - 3 - HA3 GLY 48 - QB ALA 122 lone 1 61 - 2 - HA ALA 122 - QB ALA 89 lone 1 60 - 2 - HA3 GLY 48 - QB ALA 98 lone 1 65 - 2 - HB THR 19 - QB ALA 122 lone 1 61 - 2 - HA LEU 58 - QB ALA 98 lone 1 61 - 2 - HA VAL 26 - QB ALA 89 lone 1 78 - 1 - HA GLU 64 - QB ALA 98 lone 1 53 - 1 - HA GLU 94 - QB ALA 89 lone 1 60 - 1 - HA SER 13 - QB ALA 89 lone 1 65 - 1 - HA CYS 52 - QB ALA 98 lone 0 47 - 1 - HA THR 17 - QB ALA 98 lone 0 63 - 1 - HA GLU 64 - QB ALA 122 lone 0 50 - 1 - HA ILE 22 - QB ALA 98 lone 0 36 - 1 - HA ILE 22 - QB ALA 122 lone 0 34 - 1 - HA VAL 66 - QB ALA 98 lone 0 35 - 1 - HA VAL 26 - QB ALA 122 lone 0 42 - 1 - HA CYS 52 - QB ALA 122 lone 0 44 - 0 - HA THR 17 - QB ALA 122 lone 0 60 - 0 - HA GLU 94 - QB ALA 122 lone 0 31 - 1 - HA VAL 66 - QB ALA 122 lone 0 32 - 1 - HA SER 13 - QB ALA 98 lone 0 36 - 0 - HA GLU 94 - QB ALA 98 lone 0 33 - 0 - HA SER 13 - QB ALA 122 lone 0 34 - 0 - Peak 4359 from cnoeabs.peaks (1.44, 1.44, 18.69 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * QB ALA 89 + QB ALA 89 OK 100 100 - 100 QB ALA 98 + QB ALA 98 OK 53 53 - 100 QB ALA 122 - QB ALA 122 OK 34 34 - 100 Peak 4360 from cnoeabs.peaks (7.72, 4.46, 59.75 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * H SER 90 + HA SER 90 OK 100 100 - 100 - 3.0=100 H LEU 91 + HA SER 90 OK 64 73 - 87 - 3.6=82, 442/3.0=9...(7) H ASN 118 - HA SER 90 lone 6 93 - 7 - 4.0/7572=1, 4364/3.0=1 H LEU 58 - HA SER 90 lone 6 100 - 6 - 4368/3.0=1, ~437=1 H LEU 111 - HA SER 90 lone 3 76 - 4 - H LEU 126 - HA SER 90 lone 3 100 - 3 - HE21 GLN 103 - HA SER 90 lone 1 95 - 1 - Peak 4361 from cnoeabs.peaks (4.46, 4.46, 59.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 90 + HA SER 90 OK 100 100 - 100 Peak 4362 from cnoeabs.peaks (3.80, 4.46, 59.75 ppm; 3.10 A): 1 out of 10 assignments used, quality = 1.00: * HB2 SER 90 + HA SER 90 OK 100 100 - 100 - 3.0=100 HA2 GLY 88 - HA SER 90 OK 36 96 - 38 - ~1718=6, 1213/3.0=5...(14) HA3 GLY 88 - HA SER 90 OK 34 90 - 37 - ~1718=6, 1213/3.0=5...(14) HA2 GLY 61 - HA SER 90 lone 6 100 - 6 - 3.6/7100=2, 3.0/278=2 HB2 SER 29 - HA SER 90 lone 5 93 - 5 - HB3 SER 29 - HA SER 90 lone 5 92 - 5 - HA3 GLY 39 - HA SER 90 lone 2 98 - 2 - HB2 SER 74 - HA SER 90 lone 1 89 - 1 - HB3 SER 74 - HA SER 90 lone 1 87 - 2 - HB2 SER 72 - HA SER 90 lone 1 76 - 1 - Peak 4363 from cnoeabs.peaks (3.73, 4.46, 59.75 ppm; 3.22 A): 1 out of 9 assignments used, quality = 1.00: * HB3 SER 90 + HA SER 90 OK 100 100 - 100 - 3.0=100 HA3 GLY 86 - HA SER 90 OK 21 96 - 23 - 1721/3.0=6, ~1720=5...(6) HA CYS 87 - HA SER 90 OK 18 73 - 24 - 6166/3.0=6, 1719/3.0=6...(6) HA LEU 54 - HA SER 90 lone 3 93 - 3 - HA GLU 73 - HA SER 90 lone 3 97 - 3 - HA GLU 38 - HA SER 90 lone 2 71 - 3 - HB3 SER 35 - HA SER 90 lone 2 71 - 2 - HA2 GLY 104 - HA SER 90 lone 1 85 - 1 - HB2 TRP 20 - HA SER 90 lone 1 63 - 2 - Peak 4364 from cnoeabs.peaks (7.72, 3.80, 64.49 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.95: * H SER 90 + HB2 SER 90 OK 89 100 - 89 - 3.8=80, 1721/1.8=26...(9) H LEU 91 + HB2 SER 90 OK 53 73 - 72 - 4.4=50, 440/3.0=15...(9) H ASN 118 - HB2 SER 90 lone 7 93 - 8 - 4368/1.8=2, 4.0/7575=1 H LEU 58 - HB2 SER 90 lone 6 100 - 6 - 4368/1.8=2 H LEU 126 - HB2 SER 90 lone 4 100 - 4 - H LEU 111 - HB2 SER 90 lone 4 76 - 5 - HE21 GLN 103 - HB2 SER 90 lone 1 95 - 1 - Peak 4365 from cnoeabs.peaks (4.46, 3.80, 64.49 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 90 + HB2 SER 90 OK 100 100 - 100 - 3.0=100 HA PRO 60 - HB2 SER 90 lone 5 100 - 5 - 3.5/1060=1, 4369/1.8=1 HA SER 113 - HB2 SER 90 lone 5 73 - 7 - 4369/1.8=2, 1212/3.8=1 HA LEU 101 - HB2 SER 90 lone 4 63 - 6 - 4369/1.8=1, 440/4.4=1 HA SER 29 - HB2 SER 90 lone 3 60 - 5 - HA ARG 71 - HB2 SER 90 lone 3 83 - 3 - HA PRO 70 - HB2 SER 90 lone 1 83 - 2 - Peak 4366 from cnoeabs.peaks (3.80, 3.80, 64.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 90 + HB2 SER 90 OK 100 100 - 100 Peak 4367 from cnoeabs.peaks (3.73, 3.80, 64.49 ppm; 2.58 A): 1 out of 9 assignments used, quality = 1.00: * HB3 SER 90 + HB2 SER 90 OK 100 100 - 100 - 1.8=100 HA CYS 87 - HB2 SER 90 OK 16 73 - 22 - 6166=10, 1719/3.8=3...(6) HA3 GLY 86 - HB2 SER 90 OK 12 96 - 13 - 1721/3.8=3, 7513/7574=3...(4) HA LEU 54 - HB2 SER 90 lone 2 93 - 2 - HA GLU 73 - HB2 SER 90 lone 2 97 - 2 - HA GLU 38 - HB2 SER 90 lone 2 71 - 2 - HB3 SER 35 - HB2 SER 90 lone 1 71 - 1 - HA2 GLY 104 - HB2 SER 90 lone 1 85 - 1 - HB2 TRP 20 - HB2 SER 90 lone 1 63 - 1 - Peak 4368 from cnoeabs.peaks (7.72, 3.73, 64.49 ppm; 3.44 A): 2 out of 7 assignments used, quality = 0.92: * H SER 90 + HB3 SER 90 OK 85 100 - 85 - 3.8=74, 4364/1.8=19...(7) H LEU 91 + HB3 SER 90 OK 50 73 - 68 - 4.4=46, 440/3.0=14...(9) H LEU 58 - HB3 SER 90 lone 8 100 - 8 - 4364/1.8=1 H ASN 118 - HB3 SER 90 lone 7 93 - 7 - 4364/1.8=1, 4.0/7579=1 H LEU 126 - HB3 SER 90 lone 4 100 - 4 - H LEU 111 - HB3 SER 90 lone 3 76 - 3 - HE21 GLN 103 - HB3 SER 90 lone 1 95 - 1 - Peak 4369 from cnoeabs.peaks (4.46, 3.73, 64.49 ppm; 3.29 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 90 + HB3 SER 90 OK 100 100 - 100 - 3.0=100 HA SER 113 - HB3 SER 90 lone 5 73 - 7 - 3.6/1714=1, 4365/1.8=1 HA PRO 60 - HB3 SER 90 lone 4 100 - 4 - 4365/1.8=2 HA LEU 101 - HB3 SER 90 lone 4 63 - 6 - 440/4.4=1, 4365/1.8=1 HA SER 29 - HB3 SER 90 lone 3 60 - 5 - HA ARG 71 - HB3 SER 90 lone 3 83 - 3 - HA PRO 70 - HB3 SER 90 lone 1 83 - 2 - Peak 4370 from cnoeabs.peaks (3.80, 3.73, 64.49 ppm; 2.51 A): 1 out of 10 assignments used, quality = 1.00: * HB2 SER 90 + HB3 SER 90 OK 100 100 - 100 - 1.8=100 HA2 GLY 88 - HB3 SER 90 OK 19 96 - 20 - 3.0/1706=5, 4.3/7561=3...(7) HA3 GLY 88 - HB3 SER 90 OK 18 90 - 20 - 3.0/1706=5, 4.3/7561=3...(7) HA2 GLY 61 - HB3 SER 90 lone 3 100 - 3 - HB2 SER 29 - HB3 SER 90 lone 2 93 - 2 - HB3 SER 29 - HB3 SER 90 lone 2 92 - 2 - HA3 GLY 39 - HB3 SER 90 lone 1 98 - 1 - HB2 SER 74 - HB3 SER 90 lone 1 89 - 1 - HB3 SER 74 - HB3 SER 90 lone 1 87 - 1 - HB2 SER 72 - HB3 SER 90 lone 1 76 - 1 - Peak 4371 from cnoeabs.peaks (3.73, 3.73, 64.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 90 + HB3 SER 90 OK 100 100 - 100 Peak 4372 from cnoeabs.peaks (7.75, 4.51, 54.41 ppm; 3.68 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 91 + HA LEU 91 OK 100 100 - 100 - 3.0=100 H SER 90 - HA LEU 91 OK 34 73 - 47 - ~440=9, 7570/3.0=8...(12) H ASN 118 - HA LEU 91 OK 24 97 - 24 - 4400/3.9=5, 4379/3.0=4...(8) H LEU 58 - HA LEU 91 poor 9 73 - 12 - 443/3.6=2, 4400/3.9=2...(7) H LEU 126 - HA LEU 91 lone 5 78 - 6 - H GLY 48 - HA LEU 91 lone 4 81 - 5 - Peak 4373 from cnoeabs.peaks (4.51, 4.51, 54.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 91 + HA LEU 91 OK 100 100 - 100 Peak 4374 from cnoeabs.peaks (1.74, 4.51, 54.41 ppm; 3.52 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 91 + HA LEU 91 OK 100 100 - 100 - 3.0=100 HB VAL 66 - HA LEU 91 OK 26 95 - 27 - 3.0/7176=5, 3665/3.6=3...(12) HB3 ARG 71 - HA LEU 91 OK 20 99 - 20 - 3855=2, 4388/3.0=2...(6) HG3 PRO 30 - HA LEU 91 OK 19 60 - 31 - 2.3/2367=5, 2.3/2346=4...(11) HG LEU 117 - HA LEU 91 OK 15 63 - 25 - ~8365=3, ~5910=3...(10) HG2 ARG 71 - HA LEU 91 OK 15 98 - 15 - 4388/3.0=2, 1217/3.0=2...(5) HB2 LYS 31 - HA LEU 91 OK 14 97 - 15 - 4388/3.0=2, 4.0/111=1...(6) HG3 ARG 71 - HA LEU 91 OK 11 78 - 14 - 3.0/3855=1, 4388/3.0=1 HB3 LEU 55 - HA LEU 91 poor 10 89 - 11 - 1217/3.0=1, 445/3.6=1 HB2 LEU 45 - HA LEU 91 lone 8 85 - 10 - 1.8/4375=1, 4388/3.0=1 HB2 ARG 53 - HA LEU 91 lone 8 99 - 8 - 445/3.6=2 HB3 LYS 46 - HA LEU 91 lone 6 89 - 7 - HB3 LEU 77 - HA LEU 91 lone 5 73 - 7 - HD2 LYS 109 - HA LEU 91 lone 2 63 - 3 - HG2 GLN 42 - HA LEU 91 lone 2 71 - 3 - Peak 4375 from cnoeabs.peaks (1.43, 4.51, 54.41 ppm; 3.44 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LEU 91 + HA LEU 91 OK 100 100 - 100 - 3.0=100 HB3 LEU 101 - HA LEU 91 OK 42 97 - 43 - 4382/3.0=5, 3.1/4673=4...(21) QB ALA 89 - HA LEU 91 OK 36 97 - 37 - 1218/3.0=7, 2.9/5788=5...(15) QB ALA 98 - HA LEU 91 OK 11 99 - 11 - 7666/3.9=2, 4382/3.0=1...(4) HG LEU 24 - HA LEU 91 poor 9 81 - 11 - 4382/3.0=1, 4403/3.9=1 HD3 LYS 65 - HA LEU 91 lone 8 93 - 8 - 446/3.6=1 HD2 LYS 65 - HA LEU 91 lone 8 93 - 8 - 446/3.6=1 HB3 LEU 45 - HA LEU 91 lone 8 81 - 9 - 1.8/4374=1, 4382/3.0=1 HB2 LEU 51 - HA LEU 91 lone 5 98 - 6 - HG LEU 59 - HA LEU 91 lone 5 65 - 8 - HB3 GLU 75 - HA LEU 91 lone 4 81 - 5 - QB ALA 122 - HA LEU 91 lone 4 90 - 4 - HD2 LYS 46 - HA LEU 91 lone 3 60 - 5 - Peak 4376 from cnoeabs.peaks (1.49, 4.51, 54.41 ppm; 3.43 A): 2 out of 14 assignments used, quality = 0.97: * HG LEU 91 + HA LEU 91 OK 93 100 - 93 - 3.7=80, 2.1/4401=21...(15) HG LEU 93 + HA LEU 91 OK 55 100 - 55 - 2.1/4377=10, 2.1/4378=6...(20) HB2 LEU 93 - HA LEU 91 OK 36 73 - 49 - 3.1/4377=7, 3.8/7597=7...(23) HB3 LEU 114 - HA LEU 91 OK 20 97 - 21 - 5070/3.6=3, 4.0/5788=2...(9) HG3 ARG 92 - HA LEU 91 OK 15 85 - 18 - 1227/3.6=4, 1219/3.0=2...(6) HB3 LEU 58 - HA LEU 91 OK 14 100 - 14 - 1219/3.0=2, 4390/3.0=2...(6) HG2 ARG 92 - HA LEU 91 OK 14 81 - 18 - 1227/3.6=4, 1219/3.0=2...(5) HB2 LEU 24 - HA LEU 91 poor 9 89 - 10 - 3.9/81=2, 4390/3.0=1...(4) HG3 LYS 31 - HA LEU 91 lone 7 68 - 10 - 2.9/4374=1, 4.7/111=1, ~2427=1 HG2 ARG 85 - HA LEU 91 lone 5 98 - 5 - 7497/3.6=1 HG2 LYS 109 - HA LEU 91 lone 4 98 - 4 - QB ALA 14 - HA LEU 91 lone 3 73 - 4 - HG3 ARG 57 - HA LEU 91 lone 2 78 - 3 - HG2 LYS 119 - HA LEU 91 lone 2 60 - 4 - Peak 4377 from cnoeabs.peaks (0.82, 4.51, 54.41 ppm; 2.99 A): 4 out of 8 assignments used, quality = 0.89: * QD2 LEU 91 + HA LEU 91 OK 73 100 - 73 - 3.9=44, 4403/3.0=10...(16) QD1 LEU 93 + HA LEU 91 OK 43 95 - 46 - 2.1/4376=5, 4391/3.0=5...(21) QD1 LEU 111 + HA LEU 91 OK 17 85 - 20 - 4391/3.0=3, 4384/3.0=3...(10) HB2 ASN 118 + HA LEU 91 OK 11 99 - 11 - 5178/3.0=3, 4.0/4372=2...(4) QD1 ILE 22 - HA LEU 91 lone 8 92 - 9 - 4391/3.0=1, 4384/3.0=1 HG13 ILE 22 - HA LEU 91 lone 7 78 - 8 - 2174/3.9=1, 4391/3.0=1 QG1 VAL 115 - HA LEU 91 lone 6 93 - 6 - QD1 LEU 59 - HA LEU 91 lone 4 68 - 6 - Peak 4378 from cnoeabs.peaks (0.74, 4.51, 54.41 ppm; 3.89 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 91 + HA LEU 91 OK 99 100 - 99 - 3.9=97, 2.1/4401=24...(18) QD2 LEU 93 + HA LEU 91 OK 62 97 - 64 - 2.1/4377=11, 4.7/7597=8...(20) HG LEU 111 - HA LEU 91 OK 36 99 - 36 - 4385/3.0=5, 4392/3.0=5...(14) QD2 LEU 111 - HA LEU 91 OK 35 97 - 36 - 4385/3.0=5, 2.1/4377=4...(14) QD1 LEU 114 - HA LEU 91 OK 18 83 - 22 - 4.4/5788=3, 4392/3.0=2...(9) QG2 VAL 66 - HA LEU 91 OK 17 60 - 28 - 3.2/7176=6, 2.1/4374=4...(12) QG2 ILE 63 - HA LEU 91 OK 14 89 - 15 - 7123/3.6=3, 7138/3.0=3...(5) QD1 LEU 84 - HA LEU 91 lone 9 100 - 9 - 4392/3.0=1, 449/3.6=1...(5) Peak 4379 from cnoeabs.peaks (7.75, 1.74, 44.63 ppm; 3.79 A): 2 out of 6 assignments used, quality = 0.97: * H LEU 91 + HB2 LEU 91 OK 94 100 - 94 - 4.0=84, 1218/1.8=17...(13) H SER 90 + HB2 LEU 91 OK 39 73 - 54 - 7570=11, 4.6/1217=8...(13) H ASN 118 - HB2 LEU 91 OK 30 97 - 31 - 4400/3.1=6, 4386/1.8=5...(9) H LEU 58 - HB2 LEU 91 OK 12 73 - 16 - 4400/3.1=2, 4386/1.8=2...(8) H GLY 48 - HB2 LEU 91 lone 5 81 - 6 - H LEU 126 - HB2 LEU 91 lone 5 78 - 6 - Peak 4380 from cnoeabs.peaks (4.51, 1.74, 44.63 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 91 + HB2 LEU 91 OK 100 100 - 100 - 3.0=100 HA LEU 101 - HB2 LEU 91 OK 43 93 - 46 - 4387/1.8=7, 3.0/4382=6...(19) HA PRO 30 - HB2 LEU 91 OK 40 100 - 40 - 8245/1.8=9, 4401/3.1=6...(14) HA ARG 71 - HB2 LEU 91 OK 18 78 - 23 - 4387/1.8=3, 4401/3.1=2...(10) HA LEU 27 - HB2 LEU 91 poor 9 57 - 15 - 3.0/8362=2, 4401/3.1=2...(6) HA PRO 70 - HB2 LEU 91 poor 8 78 - 10 - 4387/1.8=1, ~7257=1 HB THR 23 - HB2 LEU 91 lone 7 98 - 7 - 4387/1.8=1, 4401/3.1=1 Peak 4381 from cnoeabs.peaks (1.74, 1.74, 44.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 91 + HB2 LEU 91 OK 100 100 - 100 Peak 4382 from cnoeabs.peaks (1.43, 1.74, 44.63 ppm; 3.05 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LEU 91 + HB2 LEU 91 OK 100 100 - 100 - 1.8=100 HB3 LEU 101 - HB2 LEU 91 OK 38 97 - 39 - 4403/3.1=4, 4375/3.0=4...(20) QB ALA 89 - HB2 LEU 91 OK 31 97 - 33 - 3.6/7570=6, 1218/4.0=4...(13) QB ALA 98 - HB2 LEU 91 OK 11 99 - 11 - 7666/3.1=2, 4403/3.1=1 HG LEU 24 - HB2 LEU 91 poor 9 81 - 11 - 4403/3.1=1 HB3 LEU 45 - HB2 LEU 91 lone 8 81 - 9 - HD3 LYS 65 - HB2 LEU 91 lone 7 93 - 8 - HD2 LYS 65 - HB2 LEU 91 lone 7 93 - 8 - HB2 LEU 51 - HB2 LEU 91 lone 5 98 - 5 - HG LEU 59 - HB2 LEU 91 lone 5 65 - 8 - HD2 LYS 46 - HB2 LEU 91 lone 3 60 - 6 - HB3 GLU 75 - HB2 LEU 91 lone 3 81 - 4 - QB ALA 122 - HB2 LEU 91 lone 3 90 - 3 - Peak 4383 from cnoeabs.peaks (1.49, 1.74, 44.63 ppm; 3.26 A): 3 out of 14 assignments used, quality = 1.00: * HG LEU 91 + HB2 LEU 91 OK 100 100 - 100 - 3.0=100 HG LEU 93 + HB2 LEU 91 OK 65 100 - 66 - 2.1/4384=7, 4396/1.8=7...(36) HB2 LEU 93 + HB2 LEU 91 OK 46 73 - 63 - 3.8/7581=6, 3.1/4384=6...(37) HB3 LEU 114 - HB2 LEU 91 OK 26 97 - 27 - 4390/1.8=3, 5076/3.1=2...(11) HB3 LEU 58 - HB2 LEU 91 OK 19 100 - 19 - 4390/1.8=2, 4404/3.1=2...(9) HG3 ARG 92 - HB2 LEU 91 OK 19 85 - 22 - 1227/4.2=3, 4.0/7581=2...(8) HG2 ARG 92 - HB2 LEU 91 OK 18 81 - 22 - 1227/4.2=3, 4.0/7581=2...(7) HB2 LEU 24 - HB2 LEU 91 OK 12 89 - 13 - ~8368=2, 4390/1.8=1, 3.0/4382=1 HG3 LYS 31 - HB2 LEU 91 OK 11 68 - 16 - 1.8/2427=2, 2.9/2417=1...(4) HG2 ARG 85 - HB2 LEU 91 lone 6 98 - 6 - 7497/4.2=1 HG2 LYS 109 - HB2 LEU 91 lone 5 98 - 5 - HG2 LYS 119 - HB2 LEU 91 lone 4 60 - 7 - QB ALA 14 - HB2 LEU 91 lone 4 73 - 5 - HG3 ARG 57 - HB2 LEU 91 lone 2 78 - 2 - Peak 4384 from cnoeabs.peaks (0.82, 1.74, 44.63 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 91 + HB2 LEU 91 OK 100 100 - 100 - 3.1=100 QD1 LEU 93 + HB2 LEU 91 OK 69 95 - 73 - 4391/1.8=9, 4377/3.0=8...(37) QD1 LEU 111 - HB2 LEU 91 OK 36 85 - 42 - 2.1/4385=5, 2.1/4385=5...(20) QD1 ILE 22 - HB2 LEU 91 OK 17 92 - 18 - 4391/1.8=2, 4377/3.0=2...(6) HB2 ASN 118 - HB2 LEU 91 OK 16 99 - 17 - 4.0/4379=3, 5178/4.0=3...(8) HG13 ILE 22 - HB2 LEU 91 OK 14 78 - 17 - 2174/3.1=2, 4391/1.8=2...(7) QG1 VAL 115 - HB2 LEU 91 OK 11 93 - 11 - 4391/1.8=2, 4377/3.0=1 QD1 LEU 59 - HB2 LEU 91 poor 9 68 - 13 - 4391/1.8=1 Peak 4385 from cnoeabs.peaks (0.74, 1.74, 44.63 ppm; 3.41 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 91 + HB2 LEU 91 OK 100 100 - 100 - 3.1=100 QD2 LEU 93 + HB2 LEU 91 OK 67 97 - 70 - 2.1/4384=8, 4392/1.8=7...(34) HG LEU 111 + HB2 LEU 91 OK 46 99 - 47 - 4392/1.8=5, 4406/3.1=4...(24) QD2 LEU 111 - HB2 LEU 91 OK 45 97 - 46 - 4392/1.8=5, 2.1/4384=4...(23) QD1 LEU 114 - HB2 LEU 91 OK 22 83 - 27 - 4392/1.8=3, 4409=2...(14) QG2 ILE 63 - HB2 LEU 91 OK 16 89 - 18 - 7138=4, 7123/4.2=2...(6) QG2 VAL 66 - HB2 LEU 91 OK 16 60 - 26 - 3.2/3662=3, 4.0/1091=3...(12) QD1 LEU 84 - HB2 LEU 91 OK 11 100 - 11 - 4392/1.8=1, 4406/3.1=1 Peak 4386 from cnoeabs.peaks (7.75, 1.43, 44.63 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 91 + HB3 LEU 91 OK 100 100 - 100 - 4.0=100 H SER 90 - HB3 LEU 91 OK 45 73 - 61 - 7570/1.8=11, 3.0/7571=10...(15) H ASN 118 - HB3 LEU 91 OK 33 97 - 34 - 4400/3.1=7, 4379/1.8=7...(9) H LEU 58 - HB3 LEU 91 OK 13 73 - 18 - 4400/3.1=3, 4379/1.8=3...(7) H GLY 48 - HB3 LEU 91 lone 6 81 - 7 - 4379/1.8=1 H LEU 126 - HB3 LEU 91 lone 6 78 - 7 - 4379/1.8=1 Peak 4387 from cnoeabs.peaks (4.51, 1.43, 44.63 ppm; 3.81 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 91 + HB3 LEU 91 OK 100 100 - 100 - 3.0=100 HA LEU 101 + HB3 LEU 91 OK 45 93 - 49 - 4380/1.8=7, 4.0/8364=6...(21) HA PRO 30 - HB3 LEU 91 OK 43 100 - 43 - 8245=10, 4380/1.8=6...(13) HA ARG 71 - HB3 LEU 91 OK 19 78 - 24 - 4380/1.8=3, 3.0/4388=2...(10) HA LEU 27 - HB3 LEU 91 poor 9 57 - 15 - 3.0/8364=2, 4401/3.1=2...(6) HA PRO 70 - HB3 LEU 91 poor 8 78 - 11 - 2.3/7257=1, 4380/1.8=1 HB THR 23 - HB3 LEU 91 lone 7 98 - 7 - 4380/1.8=1 Peak 4388 from cnoeabs.peaks (1.74, 1.43, 44.63 ppm; 3.20 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 91 + HB3 LEU 91 OK 100 100 - 100 - 1.8=100 HB VAL 66 - HB3 LEU 91 OK 22 95 - 23 - 3665/4.2=2, ~7176=2...(11) HG3 PRO 30 - HB3 LEU 91 OK 20 60 - 33 - 3.8/8245=4, 2.3/7585=3...(15) HB3 ARG 71 - HB3 LEU 91 OK 17 99 - 17 - 4374/3.0=2, 3.0/4387=2...(4) HG LEU 117 - HB3 LEU 91 OK 17 63 - 26 - 2.1/8365=3, ~8369=3...(12) HB2 LYS 31 - HB3 LEU 91 OK 14 97 - 14 - 4402/3.1=1, 4374/3.0=1...(4) HG2 ARG 71 - HB3 LEU 91 OK 14 98 - 14 - 4374/3.0=1, 4.0/4387=1 HG3 ARG 71 - HB3 LEU 91 OK 10 78 - 13 - 4.0/4387=1 HB2 LEU 45 - HB3 LEU 91 poor 9 85 - 10 - HB3 LEU 55 - HB3 LEU 91 lone 9 89 - 10 - HB2 ARG 53 - HB3 LEU 91 lone 7 99 - 7 - 445/4.2=1 HB3 LEU 77 - HB3 LEU 91 lone 6 73 - 8 - 3.1/7345=1, 3.0/7343=1 HB3 LYS 46 - HB3 LEU 91 lone 6 89 - 7 - HD2 LYS 109 - HB3 LEU 91 lone 2 63 - 3 - HG2 GLN 42 - HB3 LEU 91 lone 2 71 - 2 - Peak 4389 from cnoeabs.peaks (1.43, 1.43, 44.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 91 + HB3 LEU 91 OK 100 100 - 100 Peak 4390 from cnoeabs.peaks (1.49, 1.43, 44.63 ppm; 3.25 A): 3 out of 14 assignments used, quality = 1.00: * HG LEU 91 + HB3 LEU 91 OK 100 100 - 100 - 3.0=100 HG LEU 93 + HB3 LEU 91 OK 67 100 - 67 - 4396=8, 2.1/4391=7...(37) HB2 LEU 93 + HB3 LEU 91 OK 47 73 - 64 - 3.8/7582=6, 3.1/4391=6...(37) HB3 LEU 114 - HB3 LEU 91 OK 26 97 - 27 - 4383/1.8=3, 5076/3.1=2...(11) HB3 LEU 58 - HB3 LEU 91 OK 20 100 - 20 - 4383/1.8=2, 4404/3.1=2...(9) HG3 ARG 92 - HB3 LEU 91 OK 19 85 - 22 - 4.9/446=4, 4.0/7582=2...(8) HG2 ARG 92 - HB3 LEU 91 OK 18 81 - 22 - 4.9/446=4, 4.0/7582=2...(9) HB2 LEU 24 - HB3 LEU 91 OK 14 89 - 15 - ~8368=2, 4383/1.8=1...(4) HG3 LYS 31 - HB3 LEU 91 poor 9 68 - 12 - 2.9/4388=1, ~2427=1...(4) HG2 ARG 85 - HB3 LEU 91 lone 7 98 - 7 - 7497/4.2=1 HG2 LYS 109 - HB3 LEU 91 lone 4 98 - 4 - HG2 LYS 119 - HB3 LEU 91 lone 4 60 - 7 - QB ALA 14 - HB3 LEU 91 lone 4 73 - 5 - HG3 ARG 57 - HB3 LEU 91 lone 2 78 - 3 - Peak 4391 from cnoeabs.peaks (0.82, 1.43, 44.63 ppm; 3.51 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 91 + HB3 LEU 91 OK 100 100 - 100 - 3.1=100 QD1 LEU 93 + HB3 LEU 91 OK 70 95 - 74 - 4384/1.8=9, 4377/3.0=8...(38) QD1 LEU 111 - HB3 LEU 91 OK 36 85 - 42 - 2.1/4392=5, 4384/1.8=5...(21) HB2 ASN 118 - HB3 LEU 91 OK 18 99 - 18 - 4.0/4386=3, 5178/4.0=3...(9) QD1 ILE 22 - HB3 LEU 91 OK 17 92 - 18 - 4384/1.8=2, 4377/3.0=2...(6) HG13 ILE 22 - HB3 LEU 91 OK 14 78 - 18 - 2174/3.1=2, 4384/1.8=2...(7) QG1 VAL 115 - HB3 LEU 91 OK 12 93 - 12 - 4384/1.8=1, 4377/3.0=1...(4) QD1 LEU 59 - HB3 LEU 91 poor 9 68 - 14 - 4384/1.8=1 Peak 4392 from cnoeabs.peaks (0.74, 1.43, 44.63 ppm; 3.46 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 91 + HB3 LEU 91 OK 100 100 - 100 - 3.1=100 QD2 LEU 93 + HB3 LEU 91 OK 67 97 - 69 - 2.1/4391=8, 4385/1.8=8...(33) HG LEU 111 + HB3 LEU 91 OK 46 99 - 46 - 4385/1.8=5, 4406/3.1=4...(23) QD2 LEU 111 - HB3 LEU 91 OK 44 97 - 46 - 4385/1.8=5, 2.1/4391=4...(24) QD1 LEU 114 - HB3 LEU 91 OK 23 83 - 28 - 4385/1.8=3, 3.1/4390=2...(14) QG2 ILE 63 - HB3 LEU 91 OK 15 89 - 17 - 7138/1.8=3, 7123/4.2=2...(5) QG2 VAL 66 - HB3 LEU 91 OK 14 60 - 24 - 2.1/4388=3, ~7176=3...(11) QD1 LEU 84 - HB3 LEU 91 OK 13 100 - 13 - 4385/1.8=1, 4406/3.1=1 Peak 4393 from cnoeabs.peaks (7.75, 1.49, 26.38 ppm; 4.10 A): 3 out of 24 assignments used, quality = 0.96: * H LEU 91 + HG LEU 91 OK 85 100 - 85 - 5.2=48, 4400/2.1=17...(12) H LEU 91 + HG LEU 93 OK 55 91 - 61 - 7612/5.3=11, 1220/2.1=10...(15) H SER 90 + HG LEU 91 OK 35 73 - 48 - 7570/3.0=10, 4400/2.1=8...(11) H ASN 118 - HG LEU 91 OK 31 97 - 32 - 4400/2.1=8, 4407/2.1=6...(6) H SER 90 - HG LEU 93 OK 21 61 - 35 - ~8525=9, 7568/2.1=6...(8) H LEU 58 - HG LEU 91 OK 18 73 - 24 - 4400/2.1=4, 4407/2.1=2...(12) H LEU 91 - HG3 ARG 92 OK 18 46 - 38 - 443/4.9=11, 7583/3.9=10...(11) H LEU 91 - HG2 ARG 92 OK 16 43 - 38 - 443/4.9=11, 7583/3.9=10...(11) H ASN 118 - HG LEU 93 OK 14 86 - 17 - 1377/2.1=5, 7612/5.3=3...(4) H LEU 58 - HG LEU 93 OK 14 61 - 23 - 4.8/7601=3, 3.9/3357=2...(10) H LEU 126 - HG LEU 91 lone 5 78 - 6 - 4400/2.1=1 H GLY 48 - HG LEU 91 lone 5 81 - 6 - H LEU 58 - HG3 ARG 92 poor 4 28 - 15 - 266/3.0=2, 1047/3.0=2...(5) H LEU 58 - HG2 ARG 92 poor 4 26 - 15 - 266/3.0=2, 1047/3.0=2...(6) H SER 90 - HG3 ARG 92 poor 3 28 - 11 - 436/4.9=5, 4.6/1219=2 H SER 90 - HG2 ARG 92 poor 3 26 - 10 - 436/4.9=5, 4.6/1219=2 H ASN 118 - HG3 ARG 92 lone 2 43 - 6 - 443/4.9=3 H LEU 126 - HG3 ARG 92 lone 2 30 - 7 - H ASN 118 - HG2 ARG 92 lone 2 40 - 6 - 443/4.9=3 H LEU 126 - HG2 ARG 92 lone 2 28 - 7 - H LEU 126 - HG LEU 93 lone 2 65 - 3 - H GLY 48 - HG LEU 93 lone 2 68 - 3 - H GLY 48 - HG3 ARG 92 lone 0 32 - 1 - H GLY 48 - HG2 ARG 92 lone 0 29 - 1 - Peak 4394 from cnoeabs.peaks (4.51, 1.49, 26.38 ppm; 4.25 A): 2 out of 28 assignments used, quality = 1.00: * HA LEU 91 + HG LEU 91 OK 100 100 - 100 - 3.7=100 HA LEU 91 + HG LEU 93 OK 66 91 - 73 - 4377/2.1=12, 4376=10...(21) HA LEU 101 - HG LEU 91 OK 40 93 - 43 - 4401/2.1=8, 4387/3.0=7...(13) HA PRO 30 - HG LEU 91 OK 38 100 - 38 - 8245/3.0=9, 4401/2.1=8...(9) HA ARG 71 - HG LEU 91 OK 17 78 - 22 - 4401/2.1=3, 4387/3.0=3...(9) HA LEU 91 - HG3 ARG 92 OK 13 46 - 28 - 3.6/1227=7, 3.0/1219=3...(12) HA LEU 91 - HG2 ARG 92 OK 12 43 - 28 - 3.6/1227=7, 3.0/1219=3...(12) HA LEU 27 - HG LEU 91 OK 11 57 - 18 - ~8370=2, 4401/2.1=2...(11) HA LEU 101 - HG LEU 93 OK 10 80 - 13 - 7597/5.3=3, 4.0/7601=2 HA LEU 27 - HG LEU 93 poor 9 47 - 19 - ~8482=2, ~8481=2...(8) HB THR 23 - HG LEU 91 lone 7 98 - 7 - 4401/2.1=1, 4387/3.0=1...(5) HA PRO 70 - HG LEU 91 lone 7 78 - 9 - 4387/3.0=1, 4380/3.0=1...(4) HA PRO 30 - HG LEU 93 lone 7 90 - 8 - 7597/5.3=2 HA PRO 70 - HG LEU 93 lone 5 65 - 7 - ~8524=1 HA ARG 71 - HG LEU 93 lone 3 65 - 4 - HB THR 23 - HG LEU 93 lone 3 87 - 3 - HA PRO 30 - HG3 ARG 92 lone 2 46 - 4 - 444/4.9=3 HA LEU 101 - HG3 ARG 92 lone 2 39 - 5 - 444/4.9=3 HA PRO 30 - HG2 ARG 92 lone 2 43 - 4 - 444/4.9=3 HA LEU 101 - HG2 ARG 92 lone 2 37 - 5 - 444/4.9=3 HB THR 23 - HG3 ARG 92 lone 1 43 - 2 - HB THR 23 - HG2 ARG 92 lone 1 40 - 2 - HA ARG 71 - HG3 ARG 92 lone 1 30 - 3 - 444/4.9=1 HA ARG 71 - HG2 ARG 92 lone 1 28 - 3 - 444/4.9=1 HA LEU 27 - HG3 ARG 92 lone 1 21 - 3 - HA LEU 27 - HG2 ARG 92 lone 1 19 - 3 - HA PRO 70 - HG3 ARG 92 lone 0 30 - 2 - HA PRO 70 - HG2 ARG 92 lone 0 28 - 2 - Peak 4395 from cnoeabs.peaks (1.74, 1.49, 26.38 ppm; 3.50 A): 2 out of 60 assignments used, quality = 1.00: * HB2 LEU 91 + HG LEU 91 OK 100 100 - 100 - 3.0=100 HB2 LEU 91 + HG LEU 93 OK 67 91 - 74 - 4383=10, 4384/2.1=8...(40) HB2 LYS 31 - HG LEU 93 OK 28 86 - 32 - 2409/3.0=4, ~2419=3...(15) HG LEU 117 - HG LEU 91 OK 21 63 - 33 - ~8369=6, ~8372=4...(13) HG3 PRO 30 - HG LEU 91 OK 20 60 - 33 - ~6596=4, ~7587=3...(13) HB VAL 66 - HG LEU 91 OK 19 95 - 20 - 4402/2.1=3, 4388/3.0=2...(10) HB3 ARG 71 - HG LEU 91 OK 18 99 - 18 - 4402/2.1=2, 4388/3.0=2...(4) HB2 LYS 31 - HG LEU 91 OK 17 97 - 17 - 4402/2.1=2, 4409/2.1=2...(5) HG LEU 117 - HG LEU 93 OK 16 51 - 30 - ~8378=6, ~8554=4...(14) HB2 LEU 91 - HG3 ARG 92 OK 13 46 - 27 - 4.2/1227=4, 7581/4.0=3...(11) HB3 LEU 55 - HG LEU 93 OK 12 75 - 17 - 3.0/7012=2, 7002/5.3=2...(6) HB2 ARG 53 - HG3 ARG 92 OK 12 45 - 28 - 3134/3.0=3, 3135/3.0=2...(14) HG2 ARG 71 - HG LEU 91 OK 12 98 - 12 - 4402/2.1=2, 4388/3.0=2...(4) HB2 LEU 91 - HG2 ARG 92 OK 12 43 - 27 - 4.2/1227=4, 7581/4.0=3...(10) HB2 ARG 53 - HG2 ARG 92 OK 11 42 - 28 - 3134/3.0=3, 3135/3.0=2...(14) HB3 LEU 55 - HG LEU 91 poor 10 89 - 11 - 3.0/7012=1, 4402/2.1=1...(4) HG3 ARG 71 - HG LEU 91 poor 9 78 - 11 - 4388/3.0=1, 4402/2.1=1, ~4402=1 HB2 LEU 45 - HG LEU 91 lone 8 85 - 10 - 4402/2.1=1, 4388/3.0=1 HB2 ARG 53 - HG LEU 91 lone 7 99 - 7 - HB VAL 66 - HG LEU 93 lone 7 82 - 8 - 3669/2.1=2 HB3 LEU 77 - HG LEU 91 lone 7 73 - 9 - ~8368=1 HB3 LYS 46 - HG LEU 91 lone 6 89 - 7 - HB2 ARG 53 - HG LEU 93 lone 5 88 - 6 - 4.0/5804=2 HB3 LEU 55 - HG3 ARG 92 poor 4 36 - 11 - 7002/4.0=2 HB3 LEU 55 - HG2 ARG 92 poor 4 34 - 11 - 7002/4.0=2 HD2 LYS 109 - HG LEU 91 lone 3 63 - 5 - HB VAL 66 - HG3 ARG 92 lone 3 40 - 8 - 3665/4.9=2 HG3 PRO 30 - HG LEU 93 lone 3 49 - 6 - HB VAL 66 - HG2 ARG 92 lone 3 37 - 8 - 3665/4.9=2 HB3 ARG 71 - HG LEU 93 lone 3 89 - 3 - HB3 LYS 46 - HG LEU 93 lone 3 75 - 4 - HD2 LYS 109 - HG LEU 93 lone 3 51 - 5 - HB2 LEU 45 - HG LEU 93 lone 2 72 - 3 - HG2 ARG 71 - HG LEU 93 lone 2 87 - 3 - HB3 LYS 46 - HG3 ARG 92 lone 2 36 - 5 - HG2 GLN 42 - HG LEU 91 lone 2 71 - 2 - HB2 LYS 31 - HG3 ARG 92 lone 2 43 - 4 - HB3 LYS 46 - HG2 ARG 92 lone 2 34 - 5 - HB2 LYS 31 - HG2 ARG 92 lone 2 40 - 4 - HG3 ARG 71 - HG LEU 93 lone 1 65 - 2 - HB3 LEU 77 - HG LEU 93 lone 1 61 - 2 - HG2 GLN 42 - HG LEU 93 lone 1 59 - 2 - HD2 LYS 109 - HG3 ARG 92 lone 1 23 - 4 - HB3 ARG 71 - HG3 ARG 92 lone 1 45 - 2 - HB3 ARG 71 - HG2 ARG 92 lone 1 42 - 2 - HD2 LYS 109 - HG2 ARG 92 lone 1 21 - 3 - HG2 ARG 71 - HG3 ARG 92 lone 1 43 - 2 - HG2 ARG 71 - HG2 ARG 92 lone 1 40 - 2 - HB2 LEU 45 - HG3 ARG 92 lone 0 34 - 1 - HG LEU 117 - HG3 ARG 92 lone 0 23 - 2 - HB2 LEU 45 - HG2 ARG 92 lone 0 32 - 1 - HG LEU 117 - HG2 ARG 92 lone 0 21 - 2 - HB3 LEU 77 - HG3 ARG 92 lone 0 28 - 1 - HG3 ARG 71 - HG3 ARG 92 lone 0 30 - 1 - HB3 LEU 77 - HG2 ARG 92 lone 0 26 - 1 - HG3 ARG 71 - HG2 ARG 92 lone 0 28 - 1 - HG3 PRO 30 - HG3 ARG 92 lone 0 22 - 1 - HG2 GLN 42 - HG3 ARG 92 lone 0 27 - 1 - HG3 PRO 30 - HG2 ARG 92 lone 0 20 - 1 - HG2 GLN 42 - HG2 ARG 92 lone 0 25 - 1 - Peak 4396 from cnoeabs.peaks (1.43, 1.49, 26.38 ppm; 2.71 A): 4 out of 52 assignments used, quality = 0.95: * HB3 LEU 91 + HG LEU 91 OK 84 100 - 84 - 3.0=74, 4403/2.1=11...(11) HB3 LEU 91 + HG LEU 93 OK 47 91 - 52 - 4390=6, 4391/2.1=5...(22) HB3 LEU 101 + HG LEU 91 OK 26 97 - 27 - 4403/2.1=4, 4410/2.1=3...(12) QB ALA 89 + HG LEU 91 OK 19 97 - 20 - 4403/2.1=4, 4410/2.1=3...(9) QB ALA 98 - HG LEU 91 lone 9 99 - 9 - 7666/2.1=2, 4403/2.1=1 HG LEU 24 - HG LEU 91 lone 8 81 - 10 - 4403/2.1=1 HB3 LEU 91 - HG3 ARG 92 poor 7 46 - 16 - 446/4.9=3, 4390=2...(5) QB ALA 89 - HG LEU 93 lone 7 84 - 8 - ~8528=1, 7565/2.1=1 HB3 LEU 91 - HG2 ARG 92 poor 7 43 - 15 - 446/4.9=3, 4390=2...(5) HB3 LEU 101 - HG LEU 93 lone 5 86 - 6 - HD2 LYS 65 - HG LEU 91 lone 5 93 - 5 - HD3 LYS 65 - HG LEU 91 lone 5 93 - 5 - HB3 LEU 45 - HG LEU 91 lone 5 81 - 6 - HG LEU 59 - HG LEU 93 lone 4 54 - 7 - 3415/2.1=1 HG LEU 59 - HG LEU 91 lone 4 65 - 6 - HG LEU 24 - HG LEU 93 lone 4 68 - 5 - HB2 LEU 51 - HG LEU 91 lone 3 98 - 3 - HD2 LYS 65 - HG LEU 93 lone 3 80 - 4 - HD3 LYS 65 - HG LEU 93 lone 3 80 - 4 - QB ALA 98 - HG LEU 93 lone 3 89 - 3 - QB ALA 122 - HG LEU 91 lone 2 90 - 2 - QB ALA 89 - HG3 ARG 92 lone 2 42 - 5 - 446/4.9=1 HD2 LYS 46 - HG LEU 91 lone 2 60 - 3 - QB ALA 89 - HG2 ARG 92 lone 2 39 - 5 - 446/4.9=1 HG LEU 24 - HG3 ARG 92 lone 2 32 - 5 - HB3 GLU 75 - HG LEU 91 lone 2 81 - 2 - HG LEU 24 - HG2 ARG 92 lone 2 29 - 5 - HB2 LEU 51 - HG LEU 93 lone 1 87 - 1 - HB3 LEU 45 - HG LEU 93 lone 1 68 - 1 - QB ALA 122 - HG LEU 93 lone 1 77 - 1 - HB3 GLU 75 - HG LEU 93 lone 1 68 - 1 - HD2 LYS 46 - HG LEU 93 lone 1 49 - 1 - HB3 LEU 101 - HG3 ARG 92 lone 1 43 - 1 - HB3 LEU 101 - HG2 ARG 92 lone 1 40 - 1 - HD2 LYS 46 - HG3 ARG 92 lone 0 22 - 2 - QB ALA 98 - HG3 ARG 92 lone 0 45 - 1 - HD2 LYS 46 - HG2 ARG 92 lone 0 20 - 2 - HD2 LYS 65 - HG3 ARG 92 lone 0 39 - 1 - HD3 LYS 65 - HG3 ARG 92 lone 0 39 - 1 - QB ALA 98 - HG2 ARG 92 lone 0 42 - 1 - HD3 LYS 65 - HG2 ARG 92 lone 0 37 - 1 - HD2 LYS 65 - HG2 ARG 92 lone 0 37 - 1 - HB3 GLU 75 - HG3 ARG 92 lone 0 32 - 1 - HB3 GLU 75 - HG2 ARG 92 lone 0 29 - 1 - HB2 LEU 51 - HG3 ARG 92 lone 0 43 - 1 - HB2 LEU 51 - HG2 ARG 92 lone 0 40 - 1 - HB3 LEU 45 - HG3 ARG 92 lone 0 32 - 1 - HG LEU 59 - HG3 ARG 92 lone 0 24 - 1 - HB3 LEU 45 - HG2 ARG 92 lone 0 29 - 1 - HG LEU 59 - HG2 ARG 92 lone 0 23 - 1 - QB ALA 122 - HG3 ARG 92 lone 0 37 - 0 - QB ALA 122 - HG2 ARG 92 lone 0 35 - 0 - Peak 4397 from cnoeabs.peaks (1.49, 1.49, 26.38 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HG LEU 91 + HG LEU 91 OK 100 100 - 100 HG LEU 93 + HG LEU 93 OK 90 90 - 100 HG3 ARG 92 - HG3 ARG 92 OK 34 34 - 100 HG2 ARG 92 - HG2 ARG 92 OK 29 29 - 100 Peak 4398 from cnoeabs.peaks (0.82, 1.49, 26.38 ppm; 3.31 A): 4 out of 32 assignments used, quality = 1.00: * QD2 LEU 91 + HG LEU 91 OK 100 100 - 100 - 2.1=100 QD1 LEU 93 + HG LEU 93 OK 82 82 - 100 - 2.1=100 QD2 LEU 91 + HG LEU 93 OK 63 91 - 69 - 4404=9, 4406/2.1=8...(34) QD1 LEU 93 + HG LEU 91 OK 62 95 - 66 - 4509=9, 4412/2.1=9...(31) QD1 LEU 111 - HG LEU 91 OK 34 85 - 40 - 4412/2.1=4, 7911=3...(23) QD1 LEU 111 - HG LEU 93 OK 28 72 - 39 - 7911/3.0=4, 5020/3.0=4...(19) QD1 ILE 22 - HG LEU 91 OK 15 92 - 16 - 4412/2.1=2, ~2174=2...(7) QD1 ILE 22 - HG LEU 93 OK 14 79 - 18 - 2180/2.1=2, 6442/3.0=2...(6) HB2 ASN 118 - HG LEU 91 OK 13 99 - 13 - 5178/5.2=2, 4391/3.0=2...(8) HG13 ILE 22 - HG LEU 91 OK 12 78 - 16 - 2174/2.1=2, ~2167=1...(5) QG1 VAL 115 - HG LEU 93 OK 12 80 - 15 - 7965/3.0=2, 2.1/8169=1...(5) HG13 ILE 22 - HG LEU 93 OK 12 65 - 19 - 4490/3.0=2, 2174/2.1=2...(8) QD2 LEU 91 - HG3 ARG 92 OK 11 46 - 24 - 5792/4.9=5, 7589/4.0=2...(9) QG1 VAL 115 - HG LEU 91 OK 11 93 - 11 - 4.0/583=1, 4412/2.1=1...(4) QD2 LEU 91 - HG2 ARG 92 OK 10 43 - 24 - 5792/4.9=5, 7589/4.0=2...(8) QD1 LEU 59 - HG LEU 93 poor 10 56 - 17 - 4490/3.0=2, ~3415=2...(7) QD1 LEU 59 - HG LEU 91 poor 7 68 - 11 - HB2 ASN 118 - HG LEU 93 lone 7 89 - 8 - QD1 LEU 93 - HG3 ARG 92 poor 7 40 - 17 - 8528/4.9=3, 4.7/455=2...(6) QD1 LEU 93 - HG2 ARG 92 poor 6 37 - 17 - 8528/4.9=3, 4.7/455=2...(6) QD1 LEU 111 - HG3 ARG 92 lone 1 34 - 3 - 448/4.9=1 QD1 LEU 111 - HG2 ARG 92 lone 1 32 - 3 - 448/4.9=1 QD1 ILE 22 - HG3 ARG 92 lone 1 38 - 2 - QG1 VAL 115 - HG3 ARG 92 lone 1 39 - 2 - HB2 ASN 118 - HG3 ARG 92 lone 1 45 - 2 - QD1 ILE 22 - HG2 ARG 92 lone 1 36 - 2 - QG1 VAL 115 - HG2 ARG 92 lone 1 37 - 2 - HB2 ASN 118 - HG2 ARG 92 lone 1 42 - 2 - HG13 ILE 22 - HG3 ARG 92 lone 1 30 - 2 - HG13 ILE 22 - HG2 ARG 92 lone 1 28 - 2 - QD1 LEU 59 - HG3 ARG 92 lone 0 25 - 2 - QD1 LEU 59 - HG2 ARG 92 lone 0 24 - 2 - Peak 4399 from cnoeabs.peaks (0.74, 1.49, 26.38 ppm; 2.96 A): 4 out of 32 assignments used, quality = 1.00: * QD1 LEU 91 + HG LEU 91 OK 100 100 - 100 - 2.1=100 QD2 LEU 93 + HG LEU 93 OK 84 84 - 100 - 2.1=100 QD1 LEU 91 + HG LEU 93 OK 53 91 - 59 - 4411=7, 4412/2.1=7...(32) QD2 LEU 93 + HG LEU 91 OK 52 97 - 54 - 4406/2.1=7, 2.1/4509=6...(27) HG LEU 111 - HG LEU 91 OK 38 99 - 38 - 4406/2.1=5, 4385/3.0=3...(23) QD2 LEU 111 - HG LEU 91 OK 36 97 - 38 - 4406/2.1=4, 4385/3.0=3...(23) HG LEU 111 - HG LEU 93 OK 34 88 - 39 - 4510/2.1=4, 4489/3.0=3...(18) QD2 LEU 111 - HG LEU 93 OK 31 84 - 37 - 4510/2.1=3, 4.0/6222=2...(19) QD1 LEU 114 - HG LEU 91 OK 19 83 - 24 - 2.1/5087=3, 3.1/5066=2...(10) QD1 LEU 114 - HG LEU 93 OK 12 70 - 17 - 2.1/5087=3, 3.1/5066=2...(5) QD1 LEU 84 - HG LEU 93 OK 11 90 - 12 - 4510/2.1=2, 7481/5.3=1, ~4266=1 QD1 LEU 84 - HG LEU 91 lone 8 100 - 8 - 4406/2.1=1 QG2 ILE 63 - HG LEU 91 lone 8 89 - 9 - 7138/3.0=2, 4406/2.1=1 QD1 LEU 91 - HG3 ARG 92 poor 8 46 - 17 - 449/4.9=2, 4411=2...(7) QG2 ILE 63 - HG LEU 93 lone 8 75 - 10 - 4510/2.1=1 QG2 VAL 66 - HG LEU 91 poor 7 60 - 12 - 3677/3.0=1, ~4402=1 QD1 LEU 91 - HG2 ARG 92 poor 7 43 - 17 - 449/4.9=2, 4411=2...(6) QD2 LEU 93 - HG3 ARG 92 poor 5 42 - 12 - 4.7/455=2, 449/4.9=1...(4) QD2 LEU 93 - HG2 ARG 92 poor 5 39 - 12 - 4.7/455=2, 449/4.9=1...(4) QD1 LEU 114 - HG3 ARG 92 poor 4 33 - 13 - 2.1/5087=2, 3.1/5066=1, ~5087=1 QD1 LEU 114 - HG2 ARG 92 poor 4 30 - 13 - 2.1/5087=2, 3.1/5066=1, ~5087=1 QG2 VAL 66 - HG LEU 93 lone 3 49 - 6 - QD1 LEU 84 - HG3 ARG 92 lone 2 46 - 4 - QD1 LEU 84 - HG2 ARG 92 lone 2 43 - 4 - QG2 ILE 63 - HG3 ARG 92 lone 1 36 - 4 - 7123/4.9=1 HG LEU 111 - HG3 ARG 92 lone 1 45 - 3 - QG2 ILE 63 - HG2 ARG 92 lone 1 34 - 4 - 7123/4.9=1 HG LEU 111 - HG2 ARG 92 lone 1 42 - 3 - QD2 LEU 111 - HG3 ARG 92 lone 1 42 - 3 - QD2 LEU 111 - HG2 ARG 92 lone 1 39 - 3 - QG2 VAL 66 - HG3 ARG 92 lone 1 22 - 4 - QG2 VAL 66 - HG2 ARG 92 lone 1 20 - 4 - Peak 4400 from cnoeabs.peaks (7.75, 0.82, 22.64 ppm; 3.79 A): 3 out of 6 assignments used, quality = 0.97: * H LEU 91 + QD2 LEU 91 OK 89 100 - 89 - 4.5=61, 3.0/4401=19...(15) H ASN 118 + QD2 LEU 91 OK 44 97 - 46 - 1377=8, 4.7/7590=5...(18) H SER 90 + QD2 LEU 91 OK 42 73 - 57 - 7570/3.1=8, 7568=7...(14) H LEU 58 - QD2 LEU 91 OK 18 73 - 25 - 4.6/7590=3, 4.8/8370=3...(10) H LEU 126 - QD2 LEU 91 lone 6 78 - 7 - H GLY 48 - QD2 LEU 91 lone 5 81 - 6 - Peak 4401 from cnoeabs.peaks (4.51, 0.82, 22.64 ppm; 2.87 A): 3 out of 7 assignments used, quality = 0.81: * HA LEU 91 + QD2 LEU 91 OK 68 100 - 68 - 3.9=39, 3.0/4403=10...(16) HA PRO 30 + QD2 LEU 91 OK 22 100 - 22 - 8245/3.1=4, 3.6/6596=3...(10) HA LEU 101 + QD2 LEU 91 OK 21 93 - 22 - 3.0/4403=3, 4.0/8370=3...(9) HA ARG 71 - QD2 LEU 91 poor 8 78 - 11 - 4387/3.1=1, 4380/3.1=1...(4) HA LEU 27 - QD2 LEU 91 lone 5 57 - 10 - 3.0/8370=2 HB THR 23 - QD2 LEU 91 lone 4 98 - 3 - HA PRO 70 - QD2 LEU 91 lone 3 78 - 4 - Peak 4402 from cnoeabs.peaks (1.74, 0.82, 22.64 ppm; 3.39 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 91 + QD2 LEU 91 OK 100 100 - 100 - 3.1=100 HG LEU 117 - QD2 LEU 91 OK 24 63 - 38 - 2.1/8369=10, 4.8/7590=4...(15) HB VAL 66 - QD2 LEU 91 OK 20 95 - 22 - 3669/2.1=2, 4.0/5792=2...(11) HG3 PRO 30 - QD2 LEU 91 OK 20 60 - 34 - 2.3/6596=6, 2.3/6599=5...(13) HB3 ARG 71 - QD2 LEU 91 OK 16 99 - 16 - 3.0/4401=2, 4388/3.1=2...(5) HB2 LYS 31 - QD2 LEU 91 OK 15 97 - 15 - 4409/2.1=2, 4388/3.1=1...(5) HG2 ARG 71 - QD2 LEU 91 OK 12 98 - 12 - 4388/3.1=1, 4.0/4401=1...(4) HB3 LEU 55 - QD2 LEU 91 poor 10 89 - 11 - 4409/2.1=1 HG3 ARG 71 - QD2 LEU 91 poor 9 78 - 11 - 4.0/4401=1, 4388/3.1=1 HB2 LEU 45 - QD2 LEU 91 lone 8 85 - 10 - 1.8/4403=1 HB2 ARG 53 - QD2 LEU 91 lone 7 99 - 7 - 445/5.0=1 HB3 LEU 77 - QD2 LEU 91 lone 7 73 - 9 - 3.0/8368=2 HB3 LYS 46 - QD2 LEU 91 lone 6 89 - 7 - HD2 LYS 109 - QD2 LEU 91 lone 3 63 - 4 - HG2 GLN 42 - QD2 LEU 91 lone 2 71 - 2 - Peak 4403 from cnoeabs.peaks (1.43, 0.82, 22.64 ppm; 2.90 A): 3 out of 13 assignments used, quality = 0.95: * HB3 LEU 91 + QD2 LEU 91 OK 89 100 - 89 - 3.1=79, 3.0/4401=12...(11) HB3 LEU 101 + QD2 LEU 91 OK 32 97 - 34 - 3.1/8370=4, 3.0/4401=4...(13) QB ALA 89 + QD2 LEU 91 OK 28 97 - 30 - 3.6/7568=3, 2.9/5792=3...(12) QB ALA 98 - QD2 LEU 91 OK 11 99 - 11 - 7666/2.1=2, 4382/3.1=1 HG LEU 24 - QD2 LEU 91 poor 9 81 - 11 - 3.0/8368=2, 2217/2.1=1 HD3 LYS 65 - QD2 LEU 91 lone 6 93 - 7 - HD2 LYS 65 - QD2 LEU 91 lone 6 93 - 7 - HG LEU 59 - QD2 LEU 91 lone 6 65 - 9 - 5.1/7590=1 HB3 LEU 45 - QD2 LEU 91 lone 6 81 - 7 - HB2 LEU 51 - QD2 LEU 91 lone 4 98 - 5 - QB ALA 122 - QD2 LEU 91 lone 4 90 - 4 - HD2 LYS 46 - QD2 LEU 91 lone 3 60 - 4 - HB3 GLU 75 - QD2 LEU 91 lone 2 81 - 3 - Peak 4404 from cnoeabs.peaks (1.49, 0.82, 22.64 ppm; 2.84 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 91 + QD2 LEU 91 OK 100 100 - 100 - 2.1=100 HG LEU 93 + QD2 LEU 91 OK 56 100 - 56 - 2.1/4406=6, 4411/2.1=4...(31) HB2 LEU 93 - QD2 LEU 91 OK 40 73 - 55 - 3.0/8376=5, 3.1/4406=4...(28) HB3 LEU 114 - QD2 LEU 91 OK 21 97 - 22 - 5076/2.1=2, 4.0/5792=2...(9) HB3 LEU 58 - QD2 LEU 91 OK 21 100 - 21 - 3.1/8370=3, 3.1/8420=3...(7) HG3 ARG 92 - QD2 LEU 91 OK 14 85 - 16 - 4.9/5792=3, 4.0/7589=2...(4) HG2 ARG 92 - QD2 LEU 91 OK 13 81 - 16 - 4.9/5792=3, 4.0/7589=2 HB2 LEU 24 - QD2 LEU 91 OK 10 89 - 11 - 1.8/8368=3 HG3 LYS 31 - QD2 LEU 91 lone 7 68 - 10 - 2.9/4402=1, ~8371=1 HG2 LYS 119 - QD2 LEU 91 lone 5 60 - 9 - 2.9/8030=1 HG2 ARG 85 - QD2 LEU 91 lone 5 98 - 5 - QB ALA 14 - QD2 LEU 91 lone 4 73 - 5 - HG2 LYS 109 - QD2 LEU 91 lone 4 98 - 4 - HG3 ARG 57 - QD2 LEU 91 lone 2 78 - 2 - Peak 4405 from cnoeabs.peaks (0.82, 0.82, 22.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 91 + QD2 LEU 91 OK 100 100 - 100 Peak 4406 from cnoeabs.peaks (0.74, 0.82, 22.64 ppm; 2.66 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 91 + QD2 LEU 91 OK 100 100 - 100 - 2.1=100 QD2 LEU 93 + QD2 LEU 91 OK 50 97 - 52 - 4504=5, 2.1/4404=5...(31) HG LEU 111 - QD2 LEU 91 OK 34 99 - 35 - 5016=3, 3.0/5002=3...(12) QD2 LEU 111 - QD2 LEU 91 OK 33 97 - 34 - 5030=3, 3.1/5002=2...(13) QD1 LEU 114 - QD2 LEU 91 OK 15 83 - 18 - 4412=2, 4.4/5792=1...(6) QD1 LEU 84 - QD2 LEU 91 lone 8 100 - 8 - QG2 ILE 63 - QD2 LEU 91 lone 8 89 - 9 - 7138/3.1=1 QG2 VAL 66 - QD2 LEU 91 poor 7 60 - 11 - 2.1/4402=2, 4.0/5792=1 Peak 4407 from cnoeabs.peaks (7.75, 0.74, 26.35 ppm; 3.98 A): 2 out of 12 assignments used, quality = 0.96: * H LEU 91 + QD1 LEU 91 OK 93 100 - 93 - 4.5=71, 4400/2.1=16...(15) H SER 90 + QD1 LEU 91 OK 41 73 - 57 - 7570/3.1=9, 4400/2.1=8...(14) H ASN 118 - QD1 LEU 91 OK 38 97 - 40 - 4400/2.1=8, 4379/3.1=5...(13) H LEU 58 - QD1 LEU 91 OK 15 73 - 20 - 4400/2.1=3, 4.8/8373=2...(8) H LEU 91 - QD1 LEU 114 OK 14 54 - 25 - 1221=4, 1494/4.4=4...(10) H ASN 118 - QD1 LEU 114 OK 11 50 - 22 - 1786/4.0=8, 3.6/8004=3...(5) H LEU 126 - QD1 LEU 91 lone 6 78 - 7 - 4400/2.1=1 H GLY 48 - QD1 LEU 91 lone 5 81 - 6 - H LEU 58 - QD1 LEU 114 poor 5 33 - 15 - 7052/2.1=3, 6241/4.0=3...(4) H SER 90 - QD1 LEU 114 poor 5 33 - 14 - 436/4.4=3, 6241/4.0=2...(7) H LEU 126 - QD1 LEU 114 lone 2 36 - 7 - 8128/2.1=2, 1425/2.1=1 H GLY 48 - QD1 LEU 114 lone 1 37 - 2 - Peak 4408 from cnoeabs.peaks (4.51, 0.74, 26.35 ppm; 4.06 A): 1 out of 14 assignments used, quality = 1.00: * HA LEU 91 + QD1 LEU 91 OK 100 100 - 100 - 3.9=100 HA LEU 101 - QD1 LEU 91 OK 39 93 - 42 - 4401/2.1=7, 4387/3.1=6...(13) HA PRO 30 - QD1 LEU 91 OK 37 100 - 38 - 8245/3.1=8, 4401/2.1=8...(9) HA ARG 71 - QD1 LEU 91 OK 17 78 - 21 - 4401/2.1=3, 4387/3.1=3...(9) HA LEU 91 - QD1 LEU 114 OK 13 54 - 24 - 4378=3, 5788/4.4=3...(12) HA LEU 27 - QD1 LEU 91 OK 10 57 - 18 - 3.0/8373=3, ~8370=2...(9) HA PRO 70 - QD1 LEU 91 lone 7 78 - 9 - 4401/2.1=1, 4387/3.1=1 HB THR 23 - QD1 LEU 91 lone 6 98 - 6 - 4401/2.1=1, 4387/3.1=1 HA PRO 70 - QD1 LEU 114 poor 5 36 - 13 - ~7958=3, ~5086=2...(6) HA LEU 101 - QD1 LEU 114 lone 4 46 - 10 - 4.0/8373=1, 4646/3.1=1, ~5086=1 HA ARG 71 - QD1 LEU 114 lone 2 36 - 5 - HB THR 23 - QD1 LEU 114 lone 1 50 - 3 - HA PRO 30 - QD1 LEU 114 lone 1 53 - 3 - HA LEU 27 - QD1 LEU 114 lone 1 24 - 4 - Peak 4409 from cnoeabs.peaks (1.74, 0.74, 26.35 ppm; 3.35 A): 1 out of 30 assignments used, quality = 1.00: * HB2 LEU 91 + QD1 LEU 91 OK 100 100 - 100 - 3.1=100 HG LEU 117 - QD1 LEU 91 OK 23 63 - 36 - 2.1/8372=6, ~8369=5...(16) HB VAL 66 - QD1 LEU 91 OK 21 95 - 22 - 4402/2.1=3, 4388/3.1=2...(12) HG3 PRO 30 - QD1 LEU 91 OK 19 60 - 32 - 2.3/7588=4, ~6596=4...(13) HB2 LYS 31 - QD1 LEU 91 OK 16 97 - 16 - 2.9/8371=2, 4402/2.1=2...(5) HB3 ARG 71 - QD1 LEU 91 OK 15 99 - 15 - 4402/2.1=2, 4388/3.1=2...(5) HB2 LEU 91 - QD1 LEU 114 OK 14 54 - 26 - 4385=3, 1.8/4392=2...(13) HG2 ARG 71 - QD1 LEU 91 OK 11 98 - 12 - 4402/2.1=2, 4388/3.1=1...(4) HB3 LYS 46 - QD1 LEU 114 OK 11 42 - 27 - ~7959=3, ~5088=2...(12) HB3 LEU 55 - QD1 LEU 91 poor 10 89 - 11 - 4402/2.1=1 HB3 LEU 55 - QD1 LEU 114 poor 9 42 - 22 - 3239/2.1=2, 3.0/7007=2...(8) HG LEU 117 - QD1 LEU 114 poor 9 27 - 33 - ~7960=9, 2.1/8012=4...(13) HB2 ARG 53 - QD1 LEU 91 lone 9 99 - 9 - 4.0/6962=1, 445/5.0=1 HG3 ARG 71 - QD1 LEU 91 poor 8 78 - 10 - 4.0/4408=1, 4402/2.1=1 HB2 LEU 45 - QD1 LEU 91 lone 8 85 - 9 - 4402/2.1=1 HB3 LYS 46 - QD1 LEU 91 lone 6 89 - 7 - HB3 LEU 77 - QD1 LEU 91 lone 6 73 - 8 - ~8368=1 HB VAL 66 - QD1 LEU 114 lone 4 47 - 9 - 3665/4.4=2, ~7180=1 HD2 LYS 109 - QD1 LEU 91 lone 3 63 - 4 - HG2 GLN 42 - QD1 LEU 91 lone 2 71 - 2 - HB3 ARG 71 - QD1 LEU 114 lone 1 52 - 3 - HB2 LEU 45 - QD1 LEU 114 lone 1 40 - 3 - HG2 ARG 71 - QD1 LEU 114 lone 1 50 - 2 - HB2 ARG 53 - QD1 LEU 114 lone 1 52 - 2 - HG3 ARG 71 - QD1 LEU 114 lone 1 36 - 2 - HB2 LYS 31 - QD1 LEU 114 lone 1 50 - 2 - HG3 PRO 30 - QD1 LEU 114 lone 0 26 - 2 - HD2 LYS 109 - QD1 LEU 114 lone 0 27 - 2 - HB3 LEU 77 - QD1 LEU 114 lone 0 33 - 1 - HG2 GLN 42 - QD1 LEU 114 lone 0 31 - 1 - Peak 4410 from cnoeabs.peaks (1.43, 0.74, 26.35 ppm; 3.04 A): 1 out of 26 assignments used, quality = 0.96: * HB3 LEU 91 + QD1 LEU 91 OK 96 100 - 96 - 3.1=91, 4403/2.1=14...(11) HB3 LEU 101 - QD1 LEU 91 OK 35 97 - 36 - 4403/2.1=5, 3.1/8373=4...(15) QB ALA 89 - QD1 LEU 91 OK 31 97 - 32 - 7666=5, 4403/2.1=4...(12) QB ALA 98 - QD1 LEU 91 OK 17 99 - 17 - 7666=4, 2.9/7661=2...(7) HB3 LEU 91 - QD1 LEU 114 OK 12 54 - 22 - 4392=2, 1.8/4385=2...(9) HG LEU 24 - QD1 LEU 91 poor 9 81 - 11 - 4403/2.1=1, ~8368=1, 2217/2.1=1 HD2 LYS 65 - QD1 LEU 91 lone 9 93 - 9 - 4403/2.1=1 HD3 LYS 65 - QD1 LEU 91 lone 9 93 - 9 - 4403/2.1=1 HB2 LEU 51 - QD1 LEU 114 poor 7 50 - 13 - ~7946=4, 3.1/6928=4, ~6929=3 HB3 LEU 45 - QD1 LEU 91 lone 6 81 - 7 - QB ALA 89 - QD1 LEU 114 poor 6 49 - 12 - 7565/2.1=2, 7666=1...(5) HB2 LEU 51 - QD1 LEU 91 lone 5 98 - 5 - HG LEU 59 - QD1 LEU 91 lone 5 65 - 8 - 3.0/8371=1 HD2 LYS 46 - QD1 LEU 114 poor 5 26 - 18 - ~7959=2, ~5087=1...(5) HB3 LEU 101 - QD1 LEU 114 lone 5 50 - 10 - ~7713=2 QB ALA 122 - QD1 LEU 91 lone 4 90 - 4 - QB ALA 98 - QD1 LEU 114 lone 4 52 - 7 - 7666=1, 2.9/7661=1 HD2 LYS 46 - QD1 LEU 91 lone 3 60 - 5 - HB3 GLU 75 - QD1 LEU 114 lone 3 37 - 8 - 7315/3.1=1 HB3 GLU 75 - QD1 LEU 91 lone 3 81 - 3 - HG LEU 59 - QD1 LEU 114 lone 3 29 - 10 - 3415/2.1=1, ~7959=1 HD2 LYS 65 - QD1 LEU 114 lone 1 46 - 3 - 5680/4.4=1 HD3 LYS 65 - QD1 LEU 114 lone 1 46 - 3 - 5680/4.4=1 HG LEU 24 - QD1 LEU 114 lone 1 37 - 3 - HB3 LEU 45 - QD1 LEU 114 lone 1 37 - 3 - QB ALA 122 - QD1 LEU 114 lone 1 44 - 2 - Peak 4411 from cnoeabs.peaks (1.49, 0.74, 26.35 ppm; 2.92 A): 2 out of 28 assignments used, quality = 1.00: * HG LEU 91 + QD1 LEU 91 OK 100 100 - 100 - 2.1=100 HG LEU 93 + QD1 LEU 91 OK 58 100 - 58 - 2.1/4510=7, 4404/2.1=6...(34) HB2 LEU 93 - QD1 LEU 91 OK 42 73 - 57 - 1.8/8371=7, 3.1/4510=5...(34) HB3 LEU 114 - QD1 LEU 114 OK 41 49 - 85 - 3.1=82, ~5085=4, ~5061=4...(6) HB3 LEU 114 - QD1 LEU 91 OK 24 97 - 24 - 5076=3, 4404/2.1=2...(13) HB3 LEU 58 - QD1 LEU 91 OK 18 100 - 18 - 4404/2.1=2, 3.1/8373=2...(6) HG3 ARG 92 - QD1 LEU 91 OK 13 85 - 15 - 4.9/449=2, 4404/2.1=1...(4) HG2 ARG 92 - QD1 LEU 91 OK 12 81 - 15 - 4.9/449=2, 4404/2.1=1...(4) HG LEU 91 - QD1 LEU 114 OK 12 54 - 22 - 5087/2.1=3, 5066/3.1=2...(10) HB2 LEU 24 - QD1 LEU 91 poor 10 89 - 11 - ~8368=2, 4404/2.1=1 HG LEU 93 - QD1 LEU 114 poor 8 54 - 15 - 5087/2.1=2, 5066/3.1=1...(5) HG3 LYS 31 - QD1 LEU 91 poor 7 68 - 10 - 1.8/8371=2, 2.9/4409=1 HG2 ARG 85 - QD1 LEU 91 lone 5 98 - 5 - HB3 LEU 58 - QD1 LEU 114 lone 4 54 - 8 - 5087/2.1=2, ~7056=1 HG3 ARG 92 - QD1 LEU 114 poor 4 40 - 11 - 5087/2.1=2, 5066/3.1=1, ~5087=1 QB ALA 14 - QD1 LEU 91 lone 4 73 - 6 - HG2 ARG 92 - QD1 LEU 114 poor 4 37 - 11 - 5087/2.1=2, 5066/3.1=1, ~5087=1 HB2 LEU 93 - QD1 LEU 114 poor 4 33 - 12 - ~7598=1 HG2 LYS 109 - QD1 LEU 91 lone 4 98 - 3 - HG2 LYS 119 - QD1 LEU 91 lone 3 60 - 6 - HG2 ARG 85 - QD1 LEU 114 lone 3 50 - 6 - 5087/2.1=1 HG3 ARG 57 - QD1 LEU 91 lone 2 78 - 2 - HB2 LEU 24 - QD1 LEU 114 lone 2 42 - 4 - HG2 LYS 109 - QD1 LEU 114 lone 1 50 - 2 - HG3 ARG 57 - QD1 LEU 114 lone 1 36 - 3 - QB ALA 14 - QD1 LEU 114 lone 1 33 - 2 - HG2 LYS 119 - QD1 LEU 114 lone 1 26 - 2 - HG3 LYS 31 - QD1 LEU 114 lone 0 30 - 1 - Peak 4412 from cnoeabs.peaks (0.82, 0.74, 26.35 ppm; 2.52 A): 2 out of 16 assignments used, quality = 1.00: * QD2 LEU 91 + QD1 LEU 91 OK 100 100 - 100 - 2.1=100 QD1 LEU 93 + QD1 LEU 91 OK 47 95 - 50 - 4510=10, 4509/2.1=4...(23) QD1 LEU 111 - QD1 LEU 91 OK 21 85 - 25 - 5022=3, 7911/2.1=2...(10) QD2 LEU 91 - QD1 LEU 114 poor 9 54 - 17 - 4406=3, 5792/4.4=1, 4404/3.1=1 QD1 ILE 22 - QD1 LEU 91 lone 9 92 - 10 - HB2 ASN 118 - QD1 LEU 91 lone 8 99 - 8 - 4.0/4407=1, 5178/4.5=1 HG13 ILE 22 - QD1 LEU 91 lone 7 78 - 9 - 2174/2.1=1 QG1 VAL 115 - QD1 LEU 91 lone 6 93 - 7 - QD1 LEU 111 - QD1 LEU 114 poor 6 40 - 14 - 5024=2, 4.0/4996=1...(5) QG1 VAL 115 - QD1 LEU 114 poor 5 46 - 11 - 4.0/586=2, ~8168=1...(4) QD1 LEU 59 - QD1 LEU 91 lone 4 68 - 6 - QD1 LEU 93 - QD1 LEU 114 lone 4 47 - 9 - 8528/4.4=1 QD1 ILE 22 - QD1 LEU 114 lone 2 45 - 4 - QD1 LEU 59 - QD1 LEU 114 lone 1 30 - 5 - HG13 ILE 22 - QD1 LEU 114 lone 1 36 - 2 - HB2 ASN 118 - QD1 LEU 114 lone 1 52 - 1 - Peak 4413 from cnoeabs.peaks (0.74, 0.74, 26.35 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 91 + QD1 LEU 91 OK 100 100 - 100 QD1 LEU 114 - QD1 LEU 114 OK 38 38 - 100 Peak 4414 from cnoeabs.peaks (7.96, 4.18, 56.14 ppm; 3.13 A): 1 out of 12 assignments used, quality = 1.00: * H ARG 92 + HA ARG 92 OK 100 100 - 100 - 3.0=100 H ALA 89 - HA ARG 92 OK 19 100 - 20 - 3.6/7592=4, 3.6/7592=4...(7) H LEU 114 - HA ARG 92 OK 12 97 - 13 - 450/3.6=3, 4422/3.0=2...(4) H VAL 66 - HA ARG 92 OK 12 100 - 12 - 450/3.6=2, 4422/3.0=2...(5) H ARG 92 - HA LEU 126 lone 5 75 - 7 - 1223=2 HE ARG 85 - HA ARG 92 lone 5 83 - 6 - H SER 44 - HA ARG 92 lone 3 93 - 3 - H ALA 89 - HA LEU 126 lone 2 74 - 3 - H LEU 114 - HA LEU 126 lone 2 70 - 2 - H VAL 66 - HA LEU 126 lone 2 75 - 2 - H SER 44 - HA LEU 126 lone 1 65 - 1 - HE ARG 85 - HA LEU 126 lone 0 55 - 0 - Peak 4415 from cnoeabs.peaks (4.18, 4.18, 56.14 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 92 + HA ARG 92 OK 100 100 - 100 HA LEU 126 + HA LEU 126 OK 49 49 - 100 Peak 4416 from cnoeabs.peaks (1.88, 4.18, 56.14 ppm; 3.01 A): 1 out of 26 assignments used, quality = 1.00: * HB2 ARG 92 + HA ARG 92 OK 100 100 - 100 - 3.0=100 HG3 PRO 68 - HA ARG 92 OK 21 99 - 21 - 2.3/3731=3, 2.3/3738=3...(6) HB2 LEU 58 - HA ARG 92 OK 15 100 - 15 - 4432/3.0=2, 1224/3.0=1...(4) HG LEU 55 - HA ARG 92 OK 14 99 - 14 - 8640/3.6=3, 3752=2...(5) HG LEU 84 - HA ARG 92 lone 6 96 - 6 - 7476/3.6=2 HG LEU 55 - HA LEU 126 lone 6 71 - 9 - ~8128=1 HB3 GLU 28 - HA ARG 92 lone 6 99 - 6 - HB3 LYS 31 - HA ARG 92 lone 5 98 - 5 - 452/3.6=1 HB2 ARG 92 - HA LEU 126 lone 4 75 - 6 - HB2 LEU 58 - HA LEU 126 lone 4 74 - 5 - 3354/2.9=1 HB3 LYS 109 - HA ARG 92 lone 4 97 - 4 - HB2 LYS 119 - HA ARG 92 lone 4 98 - 4 - HB2 GLU 28 - HA ARG 92 lone 3 63 - 5 - HG3 PRO 68 - HA LEU 126 lone 3 73 - 4 - HB2 LEU 84 - HA ARG 92 lone 2 65 - 4 - HG12 ILE 22 - HA LEU 126 lone 2 42 - 5 - HB VAL 50 - HA ARG 92 lone 2 98 - 2 - HG12 ILE 22 - HA ARG 92 lone 2 65 - 3 - HB2 LYS 119 - HA LEU 126 lone 2 71 - 2 - HB3 LYS 31 - HA LEU 126 lone 1 71 - 2 - HB VAL 50 - HA LEU 126 lone 0 71 - 1 - HB3 GLU 28 - HA LEU 126 lone 0 73 - 1 - HB3 LYS 109 - HA LEU 126 lone 0 70 - 1 - HG LEU 84 - HA LEU 126 lone 0 67 - 1 - HB2 GLU 28 - HA LEU 126 lone 0 40 - 1 - HB2 LEU 84 - HA LEU 126 lone 0 42 - 0 - Peak 4417 from cnoeabs.peaks (1.81, 4.18, 56.14 ppm; 3.35 A): 1 out of 24 assignments used, quality = 1.00: * HB3 ARG 92 + HA ARG 92 OK 100 100 - 100 - 3.0=100 HG3 ARG 53 - HA ARG 92 OK 28 81 - 35 - 8430=5, 4425/3.0=4...(14) HB3 GLU 56 - HA ARG 92 OK 15 93 - 16 - 4425/3.0=2, 3274=2, 1225/3.0=1 HB3 ARG 57 - HA ARG 92 OK 14 99 - 14 - 4425/3.0=2, 1225/3.0=2 HG13 ILE 63 - HA ARG 92 lone 9 93 - 10 - 453/3.6=2, ~7123=1, 1225/3.0=1 HG3 ARG 53 - HA LEU 126 poor 7 53 - 14 - 3.0/8429=2, 8430=1...(5) HB3 ARG 57 - HA LEU 126 lone 7 73 - 9 - 5640/2.9=1 HB3 ARG 92 - HA LEU 126 lone 6 75 - 7 - 1.8/4423=1 HB2 PRO 60 - HA ARG 92 lone 5 100 - 5 - HB3 GLN 105 - HA ARG 92 lone 4 96 - 4 - 453/3.6=2 HG13 ILE 63 - HA LEU 126 lone 3 65 - 5 - HG LEU 41 - HA ARG 92 lone 3 68 - 4 - HG2 GLU 75 - HA ARG 92 lone 3 99 - 3 - HG LEU 41 - HA LEU 126 lone 3 44 - 6 - HB2 PRO 37 - HA ARG 92 lone 2 83 - 3 - HB2 GLU 69 - HA ARG 92 lone 2 65 - 3 - 3.6/320=1 HB2 LYS 32 - HA ARG 92 lone 1 83 - 2 - HB2 PRO 60 - HA LEU 126 lone 1 74 - 1 - HB3 GLU 56 - HA LEU 126 lone 1 65 - 1 - HB2 LYS 32 - HA LEU 126 lone 1 55 - 1 - HB2 GLU 69 - HA LEU 126 lone 0 42 - 1 - HG2 GLU 75 - HA LEU 126 lone 0 72 - 1 - HB3 GLN 105 - HA LEU 126 lone 0 67 - 1 - HB2 PRO 37 - HA LEU 126 lone 0 55 - 1 - Peak 4418 from cnoeabs.peaks (1.51, 4.18, 56.14 ppm; 3.25 A): 2 out of 18 assignments used, quality = 0.95: * HG2 ARG 92 + HA ARG 92 OK 78 100 - 79 - 3.9=60, 3.0/4420=7...(18) HG3 ARG 92 + HA ARG 92 OK 78 100 - 78 - 3.9=60, 3.0/4420=7...(18) HG LEU 91 - HA ARG 92 OK 23 81 - 29 - 5.2/7583=4, ~5792=4...(10) HG LEU 93 - HA ARG 92 OK 19 87 - 22 - 5.3/451=8, ~8528=3...(7) HB3 LEU 114 - HA ARG 92 OK 17 97 - 18 - 5070/3.0=3, 454/3.6=2...(9) HB3 LEU 58 - HA ARG 92 OK 10 76 - 13 - 1.8/4416=3, 4427/3.0=1...(6) HG2 ARG 85 - HA ARG 92 lone 6 96 - 6 - 7497/3.0=1 HB2 LEU 24 - HA ARG 92 lone 4 100 - 4 - HG2 ARG 92 - HA LEU 126 lone 4 75 - 5 - HG3 ARG 92 - HA LEU 126 lone 4 75 - 5 - HB3 LEU 58 - HA LEU 126 lone 3 49 - 5 - HD3 LYS 46 - HA ARG 92 lone 2 87 - 2 - HB3 LEU 114 - HA LEU 126 lone 2 70 - 3 - HG LEU 91 - HA LEU 126 lone 1 53 - 3 - HB2 LEU 24 - HA LEU 126 lone 1 74 - 1 - HG LEU 93 - HA LEU 126 lone 1 59 - 1 - HD3 LYS 46 - HA LEU 126 lone 0 59 - 1 - HG2 ARG 85 - HA LEU 126 lone 0 67 - 1 - Peak 4419 from cnoeabs.peaks (1.51, 4.18, 56.14 ppm; 3.25 A): 2 out of 20 assignments used, quality = 0.95: HG2 ARG 92 + HA ARG 92 OK 78 100 - 79 - 3.9=60, 3.0/4420=7...(18) * HG3 ARG 92 + HA ARG 92 OK 78 100 - 78 - 3.9=60, 3.0/4420=7...(18) HG LEU 91 - HA ARG 92 OK 25 85 - 29 - 5.2/7583=4, ~5792=4...(10) HG LEU 93 - HA ARG 92 OK 20 90 - 22 - 5.3/451=8, ~8528=3...(7) HB3 LEU 114 - HA ARG 92 OK 17 99 - 18 - 5070/3.0=3, 454/3.6=2...(9) HB3 LEU 58 - HA ARG 92 OK 11 81 - 13 - 1.8/4416=3, 4427/3.0=1...(6) HG2 ARG 85 - HA ARG 92 lone 6 97 - 6 - 7497/3.0=1 HB2 LEU 24 - HA ARG 92 lone 4 100 - 4 - HG3 ARG 92 - HA LEU 126 lone 4 75 - 5 - HG2 ARG 92 - HA LEU 126 lone 4 75 - 5 - HB3 LEU 58 - HA LEU 126 lone 3 53 - 5 - HG2 LYS 109 - HA ARG 92 lone 2 63 - 3 - HB3 LEU 114 - HA LEU 126 lone 2 71 - 3 - HD3 LYS 46 - HA ARG 92 lone 2 83 - 2 - HG LEU 91 - HA LEU 126 lone 2 57 - 3 - HB2 LEU 24 - HA LEU 126 lone 1 75 - 1 - HG LEU 93 - HA LEU 126 lone 1 62 - 1 - HD3 LYS 46 - HA LEU 126 lone 0 55 - 1 - HG2 ARG 85 - HA LEU 126 lone 0 70 - 1 - HG2 LYS 109 - HA LEU 126 lone 0 40 - 0 - Peak 4420 from cnoeabs.peaks (3.15, 4.18, 56.14 ppm; 4.07 A): 2 out of 12 assignments used, quality = 0.99: * HD2 ARG 92 + HA ARG 92 OK 91 100 - 91 - 5.0=54, 2.9/5794=12...(24) HD3 ARG 92 + HA ARG 92 OK 91 100 - 91 - 5.0=54, 2.9/5794=12...(24) HD2 ARG 53 - HA ARG 92 OK 23 63 - 37 - 3.0/8430=6, 1.8/8429=4...(18) HD3 ARG 81 - HA ARG 92 OK 12 87 - 13 - 1.8/7443=2, 3.5/6114=1...(5) HD3 ARG 57 - HA ARG 92 poor 10 73 - 13 - 3.5/4417=2, 4428/3.0=1...(4) HD2 ARG 53 - HA LEU 126 poor 8 40 - 20 - 1.8/8429=3, 8428=2...(10) HD2 ARG 92 - HA LEU 126 lone 5 75 - 7 - 3.5/4423=1 HD3 ARG 92 - HA LEU 126 lone 5 75 - 7 - 3.5/4423=1 HD3 ARG 57 - HA LEU 126 poor 5 48 - 11 - 3.5/4417=1 HD3 ARG 81 - HA LEU 126 lone 3 59 - 5 - HB2 HIS 10 - HA ARG 92 lone 2 100 - 2 - HB2 HIS 10 - HA LEU 126 lone 1 74 - 1 - Peak 4421 from cnoeabs.peaks (3.15, 4.18, 56.14 ppm; 4.07 A): 2 out of 12 assignments used, quality = 0.99: * HD3 ARG 92 + HA ARG 92 OK 91 100 - 91 - 5.0=54, 2.9/5794=12...(24) HD2 ARG 92 + HA ARG 92 OK 91 100 - 91 - 5.0=54, 2.9/5794=12...(24) HD2 ARG 53 - HA ARG 92 OK 24 65 - 37 - 3.0/8430=6, 1.8/8429=4...(18) HD3 ARG 81 - HA ARG 92 OK 11 85 - 13 - 1.8/7443=2, 3.5/6114=1...(5) HD3 ARG 57 - HA ARG 92 poor 9 71 - 13 - 3.5/4417=2, 4428/3.0=1...(4) HD2 ARG 53 - HA LEU 126 poor 8 42 - 20 - 1.8/8429=3, 8428=2...(10) HD3 ARG 92 - HA LEU 126 lone 5 75 - 7 - 3.5/4423=1 HD2 ARG 92 - HA LEU 126 lone 5 75 - 7 - 3.5/4423=1 HD3 ARG 57 - HA LEU 126 poor 5 46 - 11 - 3.5/4417=1 HD3 ARG 81 - HA LEU 126 lone 3 57 - 4 - HB2 HIS 10 - HA ARG 92 lone 2 100 - 2 - HB2 HIS 10 - HA LEU 126 lone 1 74 - 1 - Peak 4422 from cnoeabs.peaks (7.96, 1.88, 27.57 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.6=100 H LEU 114 - HB2 ARG 92 OK 23 97 - 24 - 450/4.2=5, 4430/1.8=4...(9) H VAL 66 - HB2 ARG 92 OK 21 100 - 21 - 450/4.2=4, 4414/3.0=3...(10) H ALA 89 - HB2 ARG 92 OK 20 100 - 20 - 450/4.2=6, 4414/3.0=5...(8) HE ARG 85 - HB2 ARG 92 OK 12 83 - 14 - 4430/1.8=2, 8714/3.0=2...(6) H SER 44 - HB2 ARG 92 lone 5 93 - 6 - 450/4.2=1 Peak 4423 from cnoeabs.peaks (4.18, 1.88, 27.57 ppm; 3.88 A): 1 out of 8 assignments used, quality = 1.00: * HA ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.0=100 HA PRO 68 - HB2 ARG 92 OK 29 100 - 30 - 3728=6, 2.3/3735=4...(13) HA GLU 56 - HB2 ARG 92 OK 18 89 - 20 - 3.0/4425=3, 3264/1.8=2...(7) HA VAL 66 - HB2 ARG 92 OK 11 60 - 18 - 1223/3.6=3, 3.0/4422=3...(6) HA LEU 126 - HB2 ARG 92 lone 7 76 - 9 - 4417/1.8=1, 1223/3.6=1, 4416=1 HA3 GLY 61 - HB2 ARG 92 lone 7 99 - 6 - 1223/3.6=1 HA GLU 28 - HB2 ARG 92 lone 6 63 - 9 - HA SER 78 - HB2 ARG 92 lone 2 87 - 2 - Peak 4424 from cnoeabs.peaks (1.88, 1.88, 27.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 92 + HB2 ARG 92 OK 100 100 - 100 Peak 4425 from cnoeabs.peaks (1.81, 1.88, 27.57 ppm; 2.83 A): 1 out of 12 assignments used, quality = 1.00: * HB3 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 1.8=100 HG3 ARG 53 - HB2 ARG 92 OK 23 81 - 28 - 4432=5, 4417/3.0=2...(9) HB3 GLU 56 - HB2 ARG 92 OK 11 93 - 12 - 3.0/4423=1, 4417/3.0=1 HB3 ARG 57 - HB2 ARG 92 OK 10 99 - 10 - 4417/3.0=1 HG13 ILE 63 - HB2 ARG 92 lone 5 93 - 5 - HB2 PRO 60 - HB2 ARG 92 lone 3 100 - 3 - HB3 GLN 105 - HB2 ARG 92 lone 3 96 - 3 - HG2 GLU 75 - HB2 ARG 92 lone 2 99 - 2 - HG LEU 41 - HB2 ARG 92 lone 2 68 - 3 - HB2 PRO 37 - HB2 ARG 92 lone 2 83 - 2 - HB2 GLU 69 - HB2 ARG 92 lone 1 65 - 2 - 3.6/324=1 HB2 LYS 32 - HB2 ARG 92 lone 1 83 - 2 - Peak 4426 from cnoeabs.peaks (1.51, 1.88, 27.57 ppm; 3.60 A): 2 out of 9 assignments used, quality = 1.00: * HG2 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.0=100 HG3 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.0=100 HB3 LEU 58 - HB2 ARG 92 OK 17 76 - 23 - ~4432=2, 3363=2...(13) HB3 LEU 114 - HB2 ARG 92 OK 17 97 - 18 - 5070/3.6=3, 454/4.2=2...(6) HG LEU 91 - HB2 ARG 92 OK 15 81 - 18 - 4491/4.2=4, 1227/3.6=3...(5) HG LEU 93 - HB2 ARG 92 OK 13 87 - 15 - 4491/4.2=5, 1227/3.6=3...(4) HG2 ARG 85 - HB2 ARG 92 lone 8 96 - 8 - 7497/3.6=1, 4.0/4422=1 HB2 LEU 24 - HB2 ARG 92 lone 7 100 - 7 - HD3 LYS 46 - HB2 ARG 92 lone 3 87 - 4 - Peak 4427 from cnoeabs.peaks (1.51, 1.88, 27.57 ppm; 3.60 A): 2 out of 10 assignments used, quality = 1.00: * HG3 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.0=100 HG2 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.0=100 HB3 LEU 58 - HB2 ARG 92 OK 19 81 - 23 - 3363=2, ~4432=2...(13) HB3 LEU 114 - HB2 ARG 92 OK 18 99 - 18 - 5070/3.6=3, 454/4.2=2...(6) HG LEU 91 - HB2 ARG 92 OK 16 85 - 18 - 4491/4.2=4, 1227/3.6=3...(5) HG LEU 93 - HB2 ARG 92 OK 14 90 - 16 - 4491/4.2=5, 1227/3.6=3...(4) HG2 ARG 85 - HB2 ARG 92 lone 8 97 - 8 - 7497/3.6=1, 4.0/4422=1 HB2 LEU 24 - HB2 ARG 92 lone 7 100 - 7 - HG2 LYS 109 - HB2 ARG 92 lone 5 63 - 7 - HD3 LYS 46 - HB2 ARG 92 lone 3 83 - 4 - Peak 4428 from cnoeabs.peaks (3.15, 1.88, 27.57 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.5=100 HD3 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.5=100 HD2 ARG 53 - HB2 ARG 92 OK 24 63 - 39 - 3.0/4425=6, ~3160=4...(20) HD3 ARG 57 - HB2 ARG 92 OK 11 73 - 15 - 3.5/4425=2, ~3334=1...(5) HD3 ARG 81 - HB2 ARG 92 OK 11 87 - 12 - 4420/3.0=1, ~7443=1...(4) HB2 HIS 10 - HB2 ARG 92 lone 2 100 - 2 - Peak 4429 from cnoeabs.peaks (3.15, 1.88, 27.57 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.5=100 HD2 ARG 92 + HB2 ARG 92 OK 100 100 - 100 - 3.5=100 HD2 ARG 53 - HB2 ARG 92 OK 25 65 - 39 - 3.0/4425=6, ~3160=4...(21) HD3 ARG 57 - HB2 ARG 92 OK 11 71 - 15 - 3.5/4425=2, ~3334=1...(5) HD3 ARG 81 - HB2 ARG 92 OK 10 85 - 12 - 4420/3.0=1, ~7443=1...(4) HB2 HIS 10 - HB2 ARG 92 lone 2 100 - 2 - Peak 4430 from cnoeabs.peaks (7.96, 1.81, 27.57 ppm; 4.74 A): 1 out of 12 assignments used, quality = 1.00: * H ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.6=100 H ARG 92 - HG3 ARG 53 OK 36 81 - 45 - 1225=7, 3.6/4425=6...(20) H LEU 114 - HB3 ARG 92 OK 24 97 - 25 - 450/4.2=5, 4422/1.8=5...(9) H VAL 66 - HB3 ARG 92 OK 22 100 - 22 - 4422/1.8=5, 450/4.2=4...(9) H ALA 89 - HB3 ARG 92 OK 22 100 - 22 - 450/4.2=6, 4414/3.0=5...(7) H VAL 66 - HG3 ARG 53 OK 13 81 - 16 - 1091/3.0=2, ~8427=2...(8) HE ARG 85 - HB3 ARG 92 OK 13 83 - 15 - 4422/1.8=3, 8714/3.0=2...(6) H SER 44 - HB3 ARG 92 lone 6 93 - 6 - 4422/1.8=1, 450/4.2=1 H LEU 114 - HG3 ARG 53 lone 4 75 - 5 - H SER 44 - HG3 ARG 53 lone 3 70 - 5 - H ALA 89 - HG3 ARG 53 lone 3 79 - 4 - HE ARG 85 - HG3 ARG 53 lone 1 60 - 2 - Peak 4431 from cnoeabs.peaks (4.18, 1.81, 27.57 ppm; 4.02 A): 1 out of 16 assignments used, quality = 1.00: * HA ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.0=100 HA ARG 92 - HG3 ARG 53 OK 37 81 - 46 - 4417=6, 3.0/4425=6...(27) HA PRO 68 - HB3 ARG 92 OK 27 100 - 27 - 3728/1.8=5, ~3735=3...(13) HA GLU 56 - HG3 ARG 53 OK 24 65 - 36 - 7022/1.8=4, 7023/3.9=4...(18) HA GLU 56 - HB3 ARG 92 OK 19 89 - 22 - 3264=2, 1223/3.6=2...(12) HA VAL 66 - HB3 ARG 92 OK 11 60 - 18 - 1223/3.6=3, 3.0/4430=2...(6) HA LEU 126 - HG3 ARG 53 poor 9 54 - 18 - 8429/3.0=2, 4417=2...(8) HA VAL 66 - HG3 ARG 53 poor 8 42 - 20 - 8429/3.0=2, 3662/3.0=2...(10) HA LEU 126 - HB3 ARG 92 poor 8 76 - 10 - 4417=1, 1223/3.6=1, 4416/1.8=1 HA3 GLY 61 - HB3 ARG 92 lone 7 99 - 7 - 1223/3.6=1 HA PRO 68 - HG3 ARG 53 lone 6 80 - 8 - HA GLU 28 - HB3 ARG 92 lone 5 63 - 8 - HA3 GLY 61 - HG3 ARG 53 lone 3 77 - 4 - 3.6/7097=1 HA SER 78 - HB3 ARG 92 lone 2 87 - 2 - HA SER 78 - HG3 ARG 53 lone 1 64 - 1 - HA GLU 28 - HG3 ARG 53 lone 1 44 - 2 - Peak 4432 from cnoeabs.peaks (1.88, 1.81, 27.57 ppm; 2.75 A): 1 out of 26 assignments used, quality = 1.00: * HB2 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 1.8=100 HB2 ARG 92 - HG3 ARG 53 OK 23 81 - 28 - 4425=6, 3.0/4417=2...(9) HB VAL 50 - HG3 ARG 53 OK 17 76 - 23 - ~6970=3, ~6916=2...(12) HG3 PRO 68 - HB3 ARG 92 OK 15 99 - 16 - 4416/3.0=2, ~3735=1...(6) HB2 LEU 58 - HB3 ARG 92 OK 14 100 - 14 - 4416/3.0=1, 3.1/8404=1 HG LEU 55 - HB3 ARG 92 OK 10 99 - 10 - 8640/4.2=2, 4416/3.0=1 HG LEU 55 - HG3 ARG 53 poor 10 77 - 12 - HB3 LYS 31 - HG3 ARG 53 lone 7 76 - 9 - HG LEU 84 - HB3 ARG 92 lone 5 96 - 5 - 7476/4.2=1 HB3 GLU 28 - HB3 ARG 92 lone 5 99 - 5 - HB3 LYS 31 - HB3 ARG 92 lone 4 98 - 4 - HB3 LYS 109 - HB3 ARG 92 lone 3 97 - 3 - HG3 PRO 68 - HG3 ARG 53 lone 3 79 - 4 - HB2 LYS 119 - HB3 ARG 92 lone 3 98 - 3 - HB2 GLU 28 - HB3 ARG 92 lone 3 63 - 4 - HB2 LEU 84 - HB3 ARG 92 lone 2 65 - 3 - HB VAL 50 - HB3 ARG 92 lone 2 98 - 2 - HB2 LEU 58 - HG3 ARG 53 lone 1 80 - 2 - HB2 LYS 119 - HG3 ARG 53 lone 1 76 - 2 - HG12 ILE 22 - HB3 ARG 92 lone 1 65 - 2 - HB3 LYS 109 - HG3 ARG 53 lone 1 75 - 1 - HG LEU 84 - HG3 ARG 53 lone 1 73 - 1 - HG12 ILE 22 - HG3 ARG 53 lone 1 46 - 1 - HB3 GLU 28 - HG3 ARG 53 lone 0 79 - 1 - HB2 LEU 84 - HG3 ARG 53 lone 0 46 - 1 - HB2 GLU 28 - HG3 ARG 53 lone 0 44 - 0 - Peak 4433 from cnoeabs.peaks (1.81, 1.81, 27.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 92 + HB3 ARG 92 OK 100 100 - 100 HG3 ARG 53 + HG3 ARG 53 OK 58 58 - 100 Peak 4434 from cnoeabs.peaks (1.51, 1.81, 27.57 ppm; 3.71 A): 2 out of 18 assignments used, quality = 1.00: * HG2 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.0=100 HG3 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.0=100 HG2 ARG 92 - HG3 ARG 53 OK 30 81 - 38 - 3.0/4425=5, 4441=4...(18) HG3 ARG 92 - HG3 ARG 53 OK 30 80 - 38 - 3.0/4425=5, 4441=4...(18) HB3 LEU 114 - HB3 ARG 92 OK 18 97 - 18 - 5070/3.6=3, 454/4.2=2...(6) HB3 LEU 58 - HB3 ARG 92 OK 17 76 - 23 - 1.8/4432=3, 3.1/8404=3...(10) HG LEU 91 - HB3 ARG 92 OK 16 81 - 20 - 4491/4.2=4, 1227/3.6=3...(5) HG LEU 93 - HB3 ARG 92 OK 15 87 - 18 - 5.3/453=7, 1227/3.6=3...(4) HG2 ARG 85 - HB3 ARG 92 lone 8 96 - 9 - 7497/3.6=1, 4426/1.8=1 HB2 LEU 24 - HB3 ARG 92 lone 8 100 - 8 - HD3 LYS 46 - HG3 ARG 53 poor 8 64 - 12 - HB2 LEU 24 - HG3 ARG 53 lone 4 80 - 5 - HG LEU 93 - HG3 ARG 53 lone 3 64 - 5 - 5804/5.0=2, 5.3/453=1 HD3 LYS 46 - HB3 ARG 92 lone 3 87 - 4 - HG LEU 91 - HG3 ARG 53 lone 3 58 - 6 - HG2 ARG 85 - HG3 ARG 53 lone 2 73 - 3 - 5.0/3153=1 HB3 LEU 58 - HG3 ARG 53 lone 2 54 - 4 - HB3 LEU 114 - HG3 ARG 53 lone 2 75 - 2 - Peak 4435 from cnoeabs.peaks (1.51, 1.81, 27.57 ppm; 3.71 A): 2 out of 20 assignments used, quality = 1.00: * HG3 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.0=100 HG2 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.0=100 HG3 ARG 92 - HG3 ARG 53 OK 30 81 - 38 - 3.0/4425=5, 4449=4...(18) HG2 ARG 92 - HG3 ARG 53 OK 30 80 - 38 - 3.0/4425=5, 4441=4...(18) HB3 LEU 58 - HB3 ARG 92 OK 18 81 - 23 - 1.8/4432=3, 3.1/8404=3...(10) HB3 LEU 114 - HB3 ARG 92 OK 18 99 - 18 - 5070/3.6=4, 454/4.2=2...(6) HG LEU 91 - HB3 ARG 92 OK 17 85 - 20 - 4491/4.2=4, 1227/3.6=3...(5) HG LEU 93 - HB3 ARG 92 OK 16 90 - 18 - 5.3/453=7, 1227/3.6=3...(5) HG2 ARG 85 - HB3 ARG 92 lone 9 97 - 9 - 7497/3.6=2, 4426/1.8=1 HB2 LEU 24 - HB3 ARG 92 lone 8 100 - 8 - HD3 LYS 46 - HG3 ARG 53 poor 7 60 - 12 - HB2 LEU 24 - HG3 ARG 53 lone 4 80 - 5 - HG2 LYS 109 - HB3 ARG 92 lone 4 63 - 6 - HG LEU 93 - HG3 ARG 53 lone 3 67 - 5 - 5804/5.0=2, 5.3/453=1 HG LEU 91 - HG3 ARG 53 lone 3 62 - 6 - HD3 LYS 46 - HB3 ARG 92 lone 3 83 - 4 - HB3 LEU 58 - HG3 ARG 53 lone 2 58 - 4 - HG2 ARG 85 - HG3 ARG 53 lone 2 75 - 3 - 5.0/3153=1 HB3 LEU 114 - HG3 ARG 53 lone 2 77 - 2 - HG2 LYS 109 - HG3 ARG 53 lone 1 44 - 2 - Peak 4436 from cnoeabs.peaks (3.15, 1.81, 27.57 ppm; 3.79 A): 2 out of 12 assignments used, quality = 1.00: * HD2 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.5=100 HD3 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.5=100 HD2 ARG 53 - HG3 ARG 53 OK 44 44 - 100 - 3.0=100 HD2 ARG 92 - HG3 ARG 53 OK 26 81 - 32 - 3.5/4425=4, 4465=3...(15) HD3 ARG 92 - HG3 ARG 53 OK 26 80 - 32 - 3.5/4425=4, 4465=3...(14) HD2 ARG 53 - HB3 ARG 92 OK 22 63 - 36 - 1.8/3174=4, 4429/1.8=3...(18) HB2 HIS 10 - HG3 ARG 53 OK 20 80 - 25 - 1828/3.0=5, ~3152=3...(10) HD3 ARG 57 - HB3 ARG 92 OK 12 73 - 16 - 1.8/3334=2, 3342=1...(7) HD3 ARG 57 - HG3 ARG 53 poor 10 52 - 18 - 3342=2, 1.8/3334=2...(4) HD3 ARG 81 - HB3 ARG 92 poor 9 87 - 10 - 4428/1.8=1, 4420/3.0=1, ~7443=1 HD3 ARG 81 - HG3 ARG 53 poor 8 64 - 13 - ~3151=1 HB2 HIS 10 - HB3 ARG 92 lone 2 100 - 2 - Peak 4437 from cnoeabs.peaks (3.15, 1.81, 27.57 ppm; 3.79 A): 3 out of 12 assignments used, quality = 1.00: * HD3 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.5=100 HD2 ARG 92 + HB3 ARG 92 OK 100 100 - 100 - 3.5=100 HD2 ARG 53 + HG3 ARG 53 OK 46 46 - 100 - 3.0=100 HD2 ARG 92 - HG3 ARG 53 OK 26 80 - 32 - 3.5/4425=4, 4465=3...(16) HD3 ARG 92 - HG3 ARG 53 OK 26 81 - 32 - 3.5/4425=4, 4465=3...(15) HD2 ARG 53 - HB3 ARG 92 OK 23 65 - 36 - 1.8/3174=4, 4429/1.8=3...(18) HB2 HIS 10 - HG3 ARG 53 OK 20 80 - 25 - 1828/3.0=5, ~3152=3...(11) HD3 ARG 57 - HB3 ARG 92 OK 11 71 - 16 - 1.8/3334=2, 4428/1.8=1...(7) HD3 ARG 57 - HG3 ARG 53 poor 9 50 - 18 - 3342=2, 1.8/3334=2...(4) HD3 ARG 81 - HB3 ARG 92 poor 9 85 - 10 - 4428/1.8=1, 4420/3.0=1, ~7443=1 HD3 ARG 81 - HG3 ARG 53 poor 8 62 - 13 - ~3151=1 HB2 HIS 10 - HB3 ARG 92 lone 2 100 - 2 - Peak 4438 from cnoeabs.peaks (7.96, 1.51, 26.76 ppm; 4.11 A): 2 out of 18 assignments used, quality = 0.98: H ARG 92 + HG3 ARG 92 OK 85 100 - 85 - 4.9=58, 3.0/4418=12...(17) * H ARG 92 + HG2 ARG 92 OK 85 100 - 85 - 4.9=58, 3.0/4418=12...(17) H LEU 114 - HG3 ARG 92 OK 25 97 - 25 - 4422/3.0=3, 1355=3...(11) H LEU 114 - HG2 ARG 92 OK 25 97 - 25 - 4422/3.0=3, 1355=3...(11) H ARG 92 - HG LEU 91 OK 24 43 - 54 - 5792/2.1=14, 446/3.0=12...(10) H ALA 89 - HG LEU 91 OK 18 42 - 44 - 5792/2.1=8, 5790/3.0=6...(12) H LEU 114 - HG LEU 91 OK 16 40 - 41 - 5792/2.1=6, 1355=4...(15) H ALA 89 - HG3 ARG 92 OK 16 100 - 16 - 4414/3.9=4, 4422/3.0=3...(7) H ALA 89 - HG2 ARG 92 OK 16 100 - 16 - 4414/3.9=4, 4422/3.0=3...(7) H VAL 66 - HG3 ARG 92 OK 15 100 - 15 - 4422/3.0=3, 4414/3.9=2...(5) H VAL 66 - HG2 ARG 92 OK 15 100 - 15 - 4422/3.0=3, 4414/3.9=2...(5) HE ARG 85 - HG2 ARG 92 OK 15 83 - 18 - 8714=2, 8714/1.8=2...(8) HE ARG 85 - HG3 ARG 92 OK 15 83 - 17 - 8714=2, 8714/1.8=2...(8) H VAL 66 - HG LEU 91 OK 13 43 - 29 - 1091/3.0=5, 5792/2.1=5...(8) H SER 44 - HG2 ARG 92 lone 4 93 - 4 - H SER 44 - HG3 ARG 92 lone 4 93 - 4 - HE ARG 85 - HG LEU 91 poor 4 30 - 11 - 8714=1, 5792/2.1=1, 2.9/4326=1 H SER 44 - HG LEU 91 lone 2 37 - 7 - 5792/2.1=1, 5789/3.0=1 Peak 4439 from cnoeabs.peaks (4.18, 1.51, 26.76 ppm; 3.93 A): 2 out of 24 assignments used, quality = 1.00: * HA ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.9=100 HA ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.9=100 HA ARG 92 - HG LEU 91 OK 18 43 - 42 - 7583/5.2=7, ~5792=6...(12) HA PRO 68 - HG3 ARG 92 OK 17 100 - 17 - 4423/3.0=5, 4431/3.0=3...(8) HA PRO 68 - HG2 ARG 92 OK 17 100 - 17 - 4423/3.0=5, 4431/3.0=3...(8) HA GLU 56 - HG2 ARG 92 OK 14 89 - 16 - 4423/3.0=3, 4431/3.0=2...(6) HA GLU 56 - HG3 ARG 92 OK 14 88 - 16 - 4423/3.0=3, 4431/3.0=2...(6) HA VAL 66 - HG2 ARG 92 poor 8 60 - 14 - 1223/4.9=2, 4423/3.0=2...(6) HA VAL 66 - HG3 ARG 92 poor 8 60 - 14 - 1223/4.9=2, 4423/3.0=2...(6) HA VAL 66 - HG LEU 91 poor 7 20 - 33 - 7176/3.7=4, 7583/5.2=3...(17) HA LEU 126 - HG2 ARG 92 lone 5 76 - 7 - 4423/3.0=1 HA LEU 126 - HG3 ARG 92 lone 5 76 - 7 - 4423/3.0=1 HA3 GLY 61 - HG2 ARG 92 lone 5 99 - 4 - 4423/3.0=1 HA3 GLY 61 - HG3 ARG 92 lone 5 99 - 4 - 4423/3.0=1 HA GLU 28 - HG2 ARG 92 lone 4 63 - 6 - HA GLU 28 - HG3 ARG 92 lone 4 63 - 6 - HA SER 78 - HG3 ARG 92 lone 2 87 - 2 - HA SER 78 - HG2 ARG 92 lone 2 87 - 2 - HA GLU 56 - HG LEU 91 lone 1 34 - 4 - ~7030=1 HA LEU 126 - HG LEU 91 lone 1 27 - 4 - HA PRO 68 - HG LEU 91 lone 1 43 - 2 - HA3 GLY 61 - HG LEU 91 lone 1 41 - 2 - HA SER 78 - HG LEU 91 lone 0 33 - 1 - HA GLU 28 - HG LEU 91 lone 0 21 - 2 - Peak 4440 from cnoeabs.peaks (1.88, 1.51, 26.76 ppm; 3.53 A): 2 out of 39 assignments used, quality = 1.00: * HB2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HB2 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HB2 LEU 58 - HG3 ARG 92 OK 22 100 - 22 - 4432/3.0=2, 4416/3.9=2...(6) HB2 LEU 58 - HG2 ARG 92 OK 22 100 - 22 - 4432/3.0=2, 4416/3.9=2...(6) HG3 PRO 68 - HG3 ARG 92 OK 16 99 - 16 - 4416/3.9=2, 4432/3.0=2...(5) HG3 PRO 68 - HG2 ARG 92 OK 16 99 - 16 - 4416/3.9=2, 4432/3.0=2...(5) HG LEU 55 - HG3 ARG 92 OK 12 99 - 12 - 8640/4.0=2, 4416/3.9=2...(6) HG LEU 55 - HG2 ARG 92 OK 12 99 - 12 - 8640/4.0=2, 4416/3.9=2...(6) HB2 LEU 58 - HG LEU 91 poor 10 43 - 22 - ~8370=2, ~8420=2, 3357=2...(9) HB2 ARG 92 - HG LEU 91 poor 8 43 - 18 - 4.2/455=4, 3.6/1227=3...(5) HG LEU 84 - HG2 ARG 92 lone 7 96 - 7 - 7476/4.0=1 HG LEU 84 - HG3 ARG 92 lone 7 95 - 7 - 7476/4.0=1 HB3 GLU 28 - HG3 ARG 92 lone 7 99 - 6 - HB3 GLU 28 - HG2 ARG 92 lone 7 99 - 6 - HB3 LYS 109 - HG3 ARG 92 lone 5 97 - 5 - HB3 LYS 109 - HG2 ARG 92 lone 5 97 - 5 - HB3 LYS 31 - HG LEU 91 poor 5 40 - 11 - 2417/3.0=2, ~4402=1...(4) HB3 LYS 31 - HG3 ARG 92 lone 4 98 - 4 - HB3 LYS 31 - HG2 ARG 92 lone 4 98 - 4 - HB2 GLU 28 - HG2 ARG 92 lone 3 63 - 5 - HB2 GLU 28 - HG3 ARG 92 lone 3 63 - 5 - HB2 LYS 119 - HG LEU 91 lone 3 40 - 8 - 8030/2.1=2, ~8033=2 HG LEU 84 - HG LEU 91 lone 3 38 - 8 - 4259/2.1=2, ~4266=1 HB2 LEU 84 - HG3 ARG 92 lone 3 65 - 5 - HB2 LEU 84 - HG2 ARG 92 lone 3 65 - 5 - HB2 LYS 119 - HG3 ARG 92 lone 3 98 - 3 - HB2 LYS 119 - HG2 ARG 92 lone 3 98 - 3 - HG LEU 55 - HG LEU 91 lone 3 41 - 7 - HG12 ILE 22 - HG LEU 91 poor 2 23 - 11 - ~2174=2, 2167/2.1=2, ~2153=1 HB VAL 50 - HG2 ARG 92 lone 2 98 - 2 - HB VAL 50 - HG3 ARG 92 lone 2 98 - 2 - HB3 LYS 109 - HG LEU 91 lone 2 40 - 4 - HB2 LEU 84 - HG LEU 91 lone 2 23 - 8 - ~4252=1 HB VAL 50 - HG LEU 91 lone 2 40 - 4 - HG12 ILE 22 - HG3 ARG 92 lone 1 65 - 2 - HG12 ILE 22 - HG2 ARG 92 lone 1 65 - 2 - HG3 PRO 68 - HG LEU 91 lone 1 42 - 2 - HB3 GLU 28 - HG LEU 91 lone 1 42 - 1 - HB2 GLU 28 - HG LEU 91 lone 0 21 - 1 - Peak 4441 from cnoeabs.peaks (1.81, 1.51, 26.76 ppm; 3.61 A): 2 out of 36 assignments used, quality = 1.00: * HB3 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HB3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HG3 ARG 53 - HG2 ARG 92 OK 29 81 - 36 - 4425/3.0=5, 4434=4...(16) HG3 ARG 53 - HG3 ARG 92 OK 29 80 - 36 - 4425/3.0=5, 4434=4...(16) HB3 ARG 57 - HG3 ARG 92 OK 16 99 - 16 - 4425/3.0=2, 4417/3.9=2...(5) HB3 ARG 57 - HG2 ARG 92 OK 16 99 - 16 - 4425/3.0=2, 4417/3.9=2...(5) HB3 GLU 56 - HG2 ARG 92 OK 14 93 - 15 - 4425/3.0=2, 4417/3.9=2...(4) HB3 GLU 56 - HG3 ARG 92 OK 14 93 - 15 - 4425/3.0=2, 4417/3.9=2...(4) HB3 ARG 92 - HG LEU 91 poor 8 43 - 19 - 4.2/455=4, 3.6/1227=3...(5) HG13 ILE 63 - HG2 ARG 92 lone 6 93 - 6 - 4425/3.0=1 HG13 ILE 63 - HG3 ARG 92 lone 6 93 - 6 - 4425/3.0=1 HB2 PRO 60 - HG3 ARG 92 lone 4 100 - 4 - HB2 PRO 60 - HG2 ARG 92 lone 4 100 - 4 - HG13 ILE 63 - HG LEU 91 lone 3 37 - 9 - 3529/2.1=2, ~8310=1...(5) HB3 GLN 105 - HG2 ARG 92 lone 3 96 - 3 - HB3 GLN 105 - HG3 ARG 92 lone 3 95 - 3 - HG2 GLU 75 - HG2 ARG 92 lone 2 99 - 2 - HG2 GLU 75 - HG3 ARG 92 lone 2 99 - 2 - HG LEU 41 - HG2 ARG 92 lone 2 68 - 3 - HG LEU 41 - HG3 ARG 92 lone 2 68 - 3 - HB2 PRO 37 - HG2 ARG 92 lone 2 83 - 2 - HB2 PRO 37 - HG3 ARG 92 lone 2 83 - 2 - HB2 LYS 32 - HG2 ARG 92 lone 1 83 - 2 - HB2 LYS 32 - HG3 ARG 92 lone 1 83 - 2 - HB3 ARG 57 - HG LEU 91 lone 1 42 - 3 - HG3 ARG 53 - HG LEU 91 lone 1 29 - 5 - HB3 GLU 56 - HG LEU 91 lone 1 37 - 3 - HB3 GLN 105 - HG LEU 91 lone 1 38 - 3 - HB2 GLU 69 - HG2 ARG 92 lone 1 65 - 1 - HB2 GLU 69 - HG3 ARG 92 lone 1 65 - 1 - HG2 GLU 75 - HG LEU 91 lone 1 42 - 2 - HB2 LYS 32 - HG LEU 91 lone 1 30 - 2 - HB2 PRO 60 - HG LEU 91 lone 0 43 - 1 - HB2 PRO 37 - HG LEU 91 lone 0 30 - 1 - HG LEU 41 - HG LEU 91 lone 0 24 - 1 - HB2 GLU 69 - HG LEU 91 lone 0 23 - 1 - Peak 4442 from cnoeabs.peaks (1.51, 1.51, 26.76 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 HG3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 HG LEU 91 - HG LEU 91 OK 29 29 - 100 Peak 4443 from cnoeabs.peaks (1.51, 1.51, 26.76 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 HG2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 HG LEU 91 - HG LEU 91 OK 32 32 - 100 Reference assignment not found: HG3 ARG 92 - HG2 ARG 92 Peak 4444 from cnoeabs.peaks (3.15, 1.51, 26.76 ppm; 3.58 A): 4 out of 18 assignments used, quality = 1.00: * HD2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD3 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 53 - HG2 ARG 92 OK 16 63 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD2 ARG 53 - HG3 ARG 92 OK 16 63 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD3 ARG 57 - HG2 ARG 92 poor 9 73 - 13 - 4428/3.0=1 HD3 ARG 57 - HG3 ARG 92 poor 9 73 - 13 - 4428/3.0=1 HD3 ARG 81 - HG2 ARG 92 lone 9 87 - 10 - HD3 ARG 81 - HG3 ARG 92 lone 9 87 - 10 - HD2 ARG 92 - HG LEU 91 poor 7 43 - 17 - ~7589=2, ~7581=2...(7) HD3 ARG 92 - HG LEU 91 poor 7 43 - 17 - ~7589=2, ~7581=2...(7) HB2 HIS 10 - HG2 ARG 92 lone 2 100 - 2 - HB2 HIS 10 - HG3 ARG 92 lone 2 100 - 2 - HD3 ARG 81 - HG LEU 91 lone 1 33 - 2 - HD2 ARG 53 - HG LEU 91 lone 0 21 - 2 - HD3 ARG 57 - HG LEU 91 lone 0 26 - 2 - HB2 HIS 10 - HG LEU 91 lone 0 43 - 0 - Peak 4445 from cnoeabs.peaks (3.15, 1.51, 26.76 ppm; 3.58 A): 4 out of 18 assignments used, quality = 1.00: * HD3 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 53 - HG2 ARG 92 OK 17 65 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD2 ARG 53 - HG3 ARG 92 OK 17 65 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD3 ARG 57 - HG2 ARG 92 poor 9 71 - 13 - 4428/3.0=1 HD3 ARG 57 - HG3 ARG 92 poor 9 71 - 13 - 4428/3.0=1 HD3 ARG 81 - HG2 ARG 92 lone 8 85 - 10 - HD3 ARG 81 - HG3 ARG 92 lone 8 85 - 10 - HD3 ARG 92 - HG LEU 91 poor 7 43 - 17 - ~7589=2, ~7581=2...(7) HD2 ARG 92 - HG LEU 91 poor 7 43 - 17 - ~7589=2, ~7581=2...(7) HB2 HIS 10 - HG2 ARG 92 lone 2 100 - 2 - HB2 HIS 10 - HG3 ARG 92 lone 2 100 - 2 - HD3 ARG 81 - HG LEU 91 lone 1 32 - 2 - HD2 ARG 53 - HG LEU 91 lone 1 23 - 2 - HD3 ARG 57 - HG LEU 91 lone 0 25 - 2 - HB2 HIS 10 - HG LEU 91 lone 0 43 - 0 - Peak 4446 from cnoeabs.peaks (7.96, 1.51, 26.76 ppm; 4.11 A): 2 out of 18 assignments used, quality = 0.98: * H ARG 92 + HG3 ARG 92 OK 85 100 - 85 - 4.9=58, 3.0/4418=12...(17) H ARG 92 + HG2 ARG 92 OK 85 100 - 85 - 4.9=58, 3.0/4418=12...(17) H ARG 92 - HG LEU 91 OK 25 46 - 55 - 5792/2.1=14, 446/3.0=12...(10) H LEU 114 - HG3 ARG 92 OK 25 97 - 25 - 4422/3.0=3, 1355=3...(11) H LEU 114 - HG2 ARG 92 OK 25 97 - 25 - 4422/3.0=3, 1355=3...(11) H ALA 89 - HG LEU 91 OK 20 45 - 44 - 5792/2.1=8, 5790/3.0=6...(12) H LEU 114 - HG LEU 91 OK 18 43 - 41 - 5792/2.1=6, 1355=4...(15) H ALA 89 - HG3 ARG 92 OK 16 100 - 16 - 4414/3.9=4, 4422/3.0=3...(7) H ALA 89 - HG2 ARG 92 OK 16 100 - 16 - 4414/3.9=4, 4422/3.0=3...(7) H VAL 66 - HG3 ARG 92 OK 15 100 - 15 - 4422/3.0=3, 4414/3.9=2...(5) H VAL 66 - HG2 ARG 92 OK 15 100 - 15 - 4422/3.0=3, 4414/3.9=2...(5) HE ARG 85 - HG2 ARG 92 OK 15 83 - 18 - 8714=2, 2.9/4326=2...(8) HE ARG 85 - HG3 ARG 92 OK 15 83 - 17 - 8714=2, 2.9/4326=2...(8) H VAL 66 - HG LEU 91 OK 13 46 - 29 - 1091/3.0=5, 5792/2.1=5...(8) H SER 44 - HG3 ARG 92 lone 4 93 - 4 - H SER 44 - HG2 ARG 92 lone 4 93 - 4 - HE ARG 85 - HG LEU 91 poor 4 33 - 11 - 8714=1, 5792/2.1=1, 2.9/4326=1 H SER 44 - HG LEU 91 lone 3 39 - 7 - 5792/2.1=1, 5789/3.0=1 Peak 4447 from cnoeabs.peaks (4.18, 1.51, 26.76 ppm; 3.93 A): 2 out of 24 assignments used, quality = 1.00: * HA ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.9=100 HA ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.9=100 HA ARG 92 - HG LEU 91 OK 20 46 - 42 - 7583/5.2=7, ~5792=6...(12) HA PRO 68 - HG3 ARG 92 OK 17 100 - 17 - 4423/3.0=5, 4431/3.0=3...(8) HA PRO 68 - HG2 ARG 92 OK 17 100 - 17 - 4423/3.0=5, 4431/3.0=3...(8) HA GLU 56 - HG3 ARG 92 OK 14 89 - 16 - 4423/3.0=3, 4431/3.0=2...(6) HA GLU 56 - HG2 ARG 92 OK 14 88 - 16 - 4423/3.0=3, 4431/3.0=2...(6) HA VAL 66 - HG3 ARG 92 poor 8 60 - 14 - 1223/4.9=2, 4423/3.0=2...(6) HA VAL 66 - HG2 ARG 92 poor 8 60 - 14 - 1223/4.9=2, 4423/3.0=2...(6) HA VAL 66 - HG LEU 91 poor 7 22 - 33 - 7176/3.7=4, 7583/5.2=3...(17) HA LEU 126 - HG3 ARG 92 lone 5 76 - 7 - 4423/3.0=1 HA LEU 126 - HG2 ARG 92 lone 5 76 - 7 - 4423/3.0=1 HA3 GLY 61 - HG3 ARG 92 lone 5 99 - 4 - 4423/3.0=1 HA3 GLY 61 - HG2 ARG 92 lone 5 99 - 4 - 4423/3.0=1 HA GLU 28 - HG3 ARG 92 lone 4 63 - 6 - HA GLU 28 - HG2 ARG 92 lone 4 63 - 6 - HA SER 78 - HG3 ARG 92 lone 2 87 - 2 - HA SER 78 - HG2 ARG 92 lone 2 87 - 2 - HA GLU 56 - HG LEU 91 lone 2 36 - 4 - ~7030=1 HA LEU 126 - HG LEU 91 lone 1 29 - 4 - HA PRO 68 - HG LEU 91 lone 1 46 - 2 - HA3 GLY 61 - HG LEU 91 lone 1 44 - 2 - HA SER 78 - HG LEU 91 lone 1 35 - 1 - HA GLU 28 - HG LEU 91 lone 0 23 - 2 - Peak 4448 from cnoeabs.peaks (1.88, 1.51, 26.76 ppm; 3.53 A): 2 out of 39 assignments used, quality = 1.00: * HB2 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HB2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HB2 LEU 58 - HG3 ARG 92 OK 22 100 - 22 - 4432/3.0=2, 4416/3.9=2...(6) HB2 LEU 58 - HG2 ARG 92 OK 22 100 - 22 - 4432/3.0=2, 4416/3.9=2...(6) HG3 PRO 68 - HG3 ARG 92 OK 16 99 - 16 - 4416/3.9=2, 4432/3.0=2...(5) HG3 PRO 68 - HG2 ARG 92 OK 16 99 - 16 - 4416/3.9=2, 4432/3.0=2...(5) HG LEU 55 - HG3 ARG 92 OK 12 99 - 12 - 8640/4.0=2, 4416/3.9=2...(6) HG LEU 55 - HG2 ARG 92 OK 12 99 - 12 - 8640/4.0=2, 4416/3.9=2...(6) HB2 LEU 58 - HG LEU 91 OK 10 46 - 23 - ~8370=2, 3357=2, ~8420=2...(9) HB2 ARG 92 - HG LEU 91 poor 9 46 - 18 - 4.2/455=4, 3.6/1227=3...(5) HG LEU 84 - HG3 ARG 92 lone 7 96 - 7 - 7476/4.0=1 HG LEU 84 - HG2 ARG 92 lone 7 95 - 7 - 7476/4.0=1 HB3 GLU 28 - HG3 ARG 92 lone 7 99 - 6 - HB3 GLU 28 - HG2 ARG 92 lone 7 99 - 6 - HB3 LYS 109 - HG3 ARG 92 lone 5 97 - 5 - HB3 LYS 31 - HG LEU 91 poor 5 43 - 11 - 2417/3.0=2, ~4402=1...(4) HB3 LYS 109 - HG2 ARG 92 lone 5 97 - 5 - HB3 LYS 31 - HG3 ARG 92 lone 4 98 - 4 - HB3 LYS 31 - HG2 ARG 92 lone 4 98 - 4 - HB2 LYS 119 - HG LEU 91 lone 4 43 - 9 - 8030/2.1=2, ~8033=2 HG LEU 84 - HG LEU 91 lone 3 41 - 8 - 4259/2.1=2, ~4266=1 HB2 GLU 28 - HG3 ARG 92 lone 3 63 - 5 - HB2 GLU 28 - HG2 ARG 92 lone 3 63 - 5 - HB2 LEU 84 - HG3 ARG 92 lone 3 65 - 5 - HB2 LYS 119 - HG3 ARG 92 lone 3 98 - 3 - HB2 LEU 84 - HG2 ARG 92 lone 3 65 - 5 - HB2 LYS 119 - HG2 ARG 92 lone 3 98 - 3 - HG LEU 55 - HG LEU 91 lone 3 44 - 7 - HG12 ILE 22 - HG LEU 91 poor 3 24 - 11 - ~2174=2, 2167/2.1=2, ~2153=1 HB VAL 50 - HG3 ARG 92 lone 2 98 - 2 - HB VAL 50 - HG2 ARG 92 lone 2 98 - 2 - HB3 LYS 109 - HG LEU 91 lone 2 43 - 5 - HB2 LEU 84 - HG LEU 91 lone 2 24 - 8 - ~4252=1 HB VAL 50 - HG LEU 91 lone 2 43 - 4 - HG12 ILE 22 - HG3 ARG 92 lone 1 65 - 2 - HG12 ILE 22 - HG2 ARG 92 lone 1 65 - 2 - HG3 PRO 68 - HG LEU 91 lone 1 45 - 2 - HB3 GLU 28 - HG LEU 91 lone 1 45 - 1 - HB2 GLU 28 - HG LEU 91 lone 0 23 - 1 - Peak 4449 from cnoeabs.peaks (1.81, 1.51, 26.76 ppm; 3.61 A): 2 out of 36 assignments used, quality = 1.00: * HB3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HB3 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HG3 ARG 53 - HG3 ARG 92 OK 29 81 - 36 - 4425/3.0=5, 4434=4...(16) HG3 ARG 53 - HG2 ARG 92 OK 29 80 - 36 - 4425/3.0=5, 4434=4...(16) HB3 ARG 57 - HG3 ARG 92 OK 16 99 - 16 - 4425/3.0=2, 4417/3.9=2...(5) HB3 ARG 57 - HG2 ARG 92 OK 16 99 - 16 - 4425/3.0=2, 4417/3.9=2...(5) HB3 GLU 56 - HG3 ARG 92 OK 14 93 - 15 - 4425/3.0=2, 4417/3.9=2...(4) HB3 GLU 56 - HG2 ARG 92 OK 14 93 - 15 - 4425/3.0=2, 4417/3.9=2...(4) HB3 ARG 92 - HG LEU 91 poor 9 46 - 19 - 4.2/455=4, 3.6/1227=3...(5) HG13 ILE 63 - HG3 ARG 92 lone 6 93 - 6 - 4425/3.0=1 HG13 ILE 63 - HG2 ARG 92 lone 6 93 - 6 - 4425/3.0=1 HB2 PRO 60 - HG3 ARG 92 lone 4 100 - 4 - HB2 PRO 60 - HG2 ARG 92 lone 4 100 - 4 - HG13 ILE 63 - HG LEU 91 lone 4 39 - 9 - 3529/2.1=2, ~8310=1...(5) HB3 GLN 105 - HG3 ARG 92 lone 3 96 - 3 - HB3 GLN 105 - HG2 ARG 92 lone 3 95 - 3 - HG2 GLU 75 - HG3 ARG 92 lone 2 99 - 2 - HG2 GLU 75 - HG2 ARG 92 lone 2 99 - 2 - HG LEU 41 - HG3 ARG 92 lone 2 68 - 3 - HG LEU 41 - HG2 ARG 92 lone 2 68 - 3 - HB2 PRO 37 - HG3 ARG 92 lone 2 83 - 2 - HB2 PRO 37 - HG2 ARG 92 lone 2 83 - 2 - HB3 ARG 57 - HG LEU 91 lone 2 45 - 4 - HB2 LYS 32 - HG3 ARG 92 lone 1 83 - 2 - HB2 LYS 32 - HG2 ARG 92 lone 1 83 - 2 - HG3 ARG 53 - HG LEU 91 lone 2 32 - 5 - HB3 GLU 56 - HG LEU 91 lone 1 39 - 3 - HB3 GLN 105 - HG LEU 91 lone 1 41 - 3 - HB2 GLU 69 - HG3 ARG 92 lone 1 65 - 2 - HB2 GLU 69 - HG2 ARG 92 lone 1 65 - 1 - HG2 GLU 75 - HG LEU 91 lone 1 45 - 2 - HB2 LYS 32 - HG LEU 91 lone 1 33 - 2 - HB2 PRO 60 - HG LEU 91 lone 1 46 - 1 - HB2 PRO 37 - HG LEU 91 lone 0 33 - 1 - HG LEU 41 - HG LEU 91 lone 0 25 - 1 - HB2 GLU 69 - HG LEU 91 lone 0 24 - 1 - Peak 4450 from cnoeabs.peaks (1.51, 1.51, 26.76 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 HG2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 HG LEU 91 - HG LEU 91 OK 32 32 - 100 Reference assignment not found: HG2 ARG 92 - HG3 ARG 92 Peak 4451 from cnoeabs.peaks (1.51, 1.51, 26.76 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 HG2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 HG LEU 91 - HG LEU 91 OK 34 34 - 100 Peak 4452 from cnoeabs.peaks (3.15, 1.51, 26.76 ppm; 3.58 A): 4 out of 18 assignments used, quality = 1.00: * HD2 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD3 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 53 - HG3 ARG 92 OK 16 63 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD2 ARG 53 - HG2 ARG 92 OK 16 63 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD3 ARG 57 - HG3 ARG 92 poor 9 73 - 13 - 4428/3.0=1 HD3 ARG 57 - HG2 ARG 92 poor 9 73 - 13 - 4428/3.0=1 HD3 ARG 81 - HG3 ARG 92 lone 9 87 - 10 - HD3 ARG 81 - HG2 ARG 92 lone 9 87 - 10 - HD2 ARG 92 - HG LEU 91 poor 8 46 - 17 - ~7589=2, ~7581=2...(7) HD3 ARG 92 - HG LEU 91 poor 8 46 - 17 - ~7589=2, ~7581=2...(7) HB2 HIS 10 - HG3 ARG 92 lone 2 100 - 2 - HB2 HIS 10 - HG2 ARG 92 lone 2 100 - 2 - HD3 ARG 81 - HG LEU 91 lone 1 35 - 2 - HD2 ARG 53 - HG LEU 91 lone 1 23 - 2 - HD3 ARG 57 - HG LEU 91 lone 1 28 - 2 - HB2 HIS 10 - HG LEU 91 lone 0 46 - 0 - Peak 4453 from cnoeabs.peaks (3.15, 1.51, 26.76 ppm; 3.58 A): 4 out of 18 assignments used, quality = 1.00: * HD3 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 92 + HG3 ARG 92 OK 100 100 - 100 - 3.0=100 HD3 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 92 + HG2 ARG 92 OK 100 100 - 100 - 3.0=100 HD2 ARG 53 - HG3 ARG 92 OK 17 65 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD2 ARG 53 - HG2 ARG 92 OK 17 65 - 26 - 4429/3.0=2, 3.0/4434=2...(13) HD3 ARG 57 - HG3 ARG 92 poor 9 71 - 13 - 4428/3.0=1 HD3 ARG 57 - HG2 ARG 92 poor 9 71 - 13 - 4428/3.0=1 HD3 ARG 81 - HG3 ARG 92 lone 8 85 - 10 - HD3 ARG 81 - HG2 ARG 92 lone 8 85 - 10 - HD3 ARG 92 - HG LEU 91 poor 8 46 - 17 - ~7589=2, ~7581=2...(7) HD2 ARG 92 - HG LEU 91 poor 8 46 - 17 - ~7589=2, ~7581=2...(7) HB2 HIS 10 - HG3 ARG 92 lone 2 100 - 2 - HB2 HIS 10 - HG2 ARG 92 lone 2 100 - 2 - HD3 ARG 81 - HG LEU 91 lone 1 34 - 2 - HD2 ARG 53 - HG LEU 91 lone 1 24 - 2 - HD3 ARG 57 - HG LEU 91 lone 1 27 - 2 - HB2 HIS 10 - HG LEU 91 lone 0 46 - 0 - Peak 4454 from cnoeabs.peaks (7.96, 3.15, 42.96 ppm; 4.37 A): 2 out of 18 assignments used, quality = 0.97: * H ARG 92 + HD2 ARG 92 OK 83 100 - 83 - 6.1=36, 1228/1.8=13...(16) H ARG 92 + HD3 ARG 92 OK 83 100 - 83 - 6.1=36, 1228/1.8=13...(16) H LEU 114 - HD2 ARG 92 OK 14 97 - 14 - 4422/3.5=3, 4430/3.5=2...(6) H LEU 114 - HD3 ARG 92 OK 14 97 - 14 - 4422/3.5=3, 4430/3.5=2...(6) H VAL 66 - HD3 ARG 92 OK 13 100 - 13 - 4422/3.5=3, 4430/3.5=2...(5) H VAL 66 - HD2 ARG 92 OK 13 100 - 13 - 4422/3.5=3, 4430/3.5=2...(5) H ALA 89 - HD2 ARG 92 OK 11 100 - 12 - 4414/5.0=3, 4422/3.5=3...(5) H ALA 89 - HD3 ARG 92 OK 11 100 - 12 - 4414/5.0=3, 4422/3.5=3...(5) HE ARG 85 - HD2 ARG 92 lone 8 83 - 10 - 8714/3.0=2, 8714/3.0=2...(5) HE ARG 85 - HD3 ARG 92 lone 8 83 - 10 - 8714/3.0=2, 8714/3.0=2...(5) H ARG 92 - HD3 ARG 81 poor 6 52 - 12 - 1228=2, 3.0/4420=2...(4) H SER 44 - HD2 ARG 92 lone 3 93 - 4 - H SER 44 - HD3 ARG 92 lone 3 93 - 4 - H VAL 66 - HD3 ARG 81 lone 3 52 - 6 - 4.0/7189=1 H ALA 89 - HD3 ARG 81 lone 2 50 - 4 - ~8361=1 H SER 44 - HD3 ARG 81 lone 1 44 - 3 - 1601/1.8=2 H LEU 114 - HD3 ARG 81 lone 1 47 - 2 - HE ARG 85 - HD3 ARG 81 lone 0 37 - 1 - Peak 4455 from cnoeabs.peaks (4.18, 3.15, 42.96 ppm; 3.96 A): 2 out of 24 assignments used, quality = 0.99: * HA ARG 92 + HD2 ARG 92 OK 89 100 - 89 - 5.0=50, 4420/1.8=13...(24) HA ARG 92 + HD3 ARG 92 OK 89 100 - 89 - 5.0=50, 4420/1.8=13...(24) HA GLU 56 - HD3 ARG 81 OK 13 40 - 33 - 6114/3.5=4, 7443/1.8=4...(10) HA PRO 68 - HD3 ARG 92 OK 12 100 - 12 - 4423/3.5=4, 4431/3.5=3...(5) HA PRO 68 - HD2 ARG 92 OK 12 100 - 12 - 4423/3.5=4, 4431/3.5=3...(5) HA GLU 56 - HD2 ARG 92 OK 12 89 - 13 - 4423/3.5=3, 4431/3.5=2...(4) HA GLU 56 - HD3 ARG 92 OK 12 89 - 13 - 4423/3.5=3, 4431/3.5=2...(4) HA SER 78 - HD3 ARG 81 poor 8 39 - 21 - 8658/5.9=8, 7450/3.5=4...(5) HA ARG 92 - HD3 ARG 81 poor 7 52 - 13 - 7443/1.8=2, 4420=2...(5) HA VAL 66 - HD2 ARG 92 lone 6 60 - 9 - 4423/3.5=2, 1223/6.1=1...(4) HA VAL 66 - HD3 ARG 92 lone 6 60 - 9 - 4423/3.5=2, 1223/6.1=1...(4) HA LEU 126 - HD3 ARG 92 lone 5 76 - 7 - 4423/3.5=1 HA LEU 126 - HD2 ARG 92 lone 5 76 - 7 - 4423/3.5=1 HA3 GLY 61 - HD2 ARG 92 lone 4 99 - 4 - HA3 GLY 61 - HD3 ARG 92 lone 4 99 - 4 - HA GLU 28 - HD2 ARG 92 lone 3 63 - 5 - HA GLU 28 - HD3 ARG 92 lone 3 63 - 5 - HA VAL 66 - HD3 ARG 81 lone 2 25 - 9 - 7443/1.8=1, 3.2/7189=1 HA SER 78 - HD2 ARG 92 lone 2 87 - 2 - HA SER 78 - HD3 ARG 92 lone 2 87 - 2 - HA GLU 28 - HD3 ARG 81 lone 2 26 - 7 - 6114/3.5=2 HA LEU 126 - HD3 ARG 81 lone 1 33 - 4 - HA PRO 68 - HD3 ARG 81 lone 1 51 - 2 - HA3 GLY 61 - HD3 ARG 81 lone 1 49 - 2 - Peak 4456 from cnoeabs.peaks (1.88, 3.15, 42.96 ppm; 3.21 A): 2 out of 39 assignments used, quality = 0.99: * HB2 ARG 92 + HD2 ARG 92 OK 89 100 - 89 - 3.5=76, 1.8/4465=8...(21) HB2 ARG 92 + HD3 ARG 92 OK 89 100 - 89 - 3.5=76, 1.8/4465=8...(21) HG LEU 55 - HD2 ARG 92 OK 11 99 - 12 - 8640/2.9=2, ~7004=2...(6) HG LEU 55 - HD3 ARG 92 OK 11 99 - 12 - 8640/2.9=2, ~7004=2...(6) HG LEU 84 - HD3 ARG 81 poor 9 46 - 19 - 7492/4.7=3, ~8518=2...(7) HB2 LEU 58 - HD2 ARG 92 lone 9 100 - 9 - 4432/3.5=1, 4448/3.0=1 HB2 LEU 58 - HD3 ARG 92 lone 9 100 - 9 - 4432/3.5=1, 4448/3.0=1 HG3 PRO 68 - HD2 ARG 92 lone 7 99 - 7 - 4432/3.5=2, 4416/5.0=1 HG3 PRO 68 - HD3 ARG 92 lone 7 99 - 7 - 4432/3.5=2, 4416/5.0=1 HG LEU 84 - HD2 ARG 92 lone 5 96 - 6 - 7476/2.9=1, ~7479=1 HG LEU 84 - HD3 ARG 92 lone 5 96 - 6 - 7476/2.9=1, ~7479=1 HB2 LEU 84 - HD3 ARG 81 poor 5 27 - 18 - 6135/4.7=3, ~4248=1...(5) HB2 ARG 92 - HD3 ARG 81 lone 4 52 - 7 - HB3 GLU 28 - HD2 ARG 92 lone 3 99 - 3 - HB3 GLU 28 - HD3 ARG 92 lone 3 99 - 3 - HB2 LEU 84 - HD2 ARG 92 lone 3 65 - 4 - HB2 LEU 84 - HD3 ARG 92 lone 3 65 - 4 - HB2 LYS 119 - HD3 ARG 81 lone 2 48 - 5 - HB3 LYS 109 - HD2 ARG 92 lone 2 97 - 2 - HB3 LYS 109 - HD3 ARG 92 lone 2 97 - 2 - HB3 GLU 28 - HD3 ARG 81 lone 2 50 - 4 - HB3 LYS 31 - HD3 ARG 92 lone 2 98 - 2 - HB3 LYS 31 - HD2 ARG 92 lone 2 98 - 2 - HG LEU 55 - HD3 ARG 81 lone 2 49 - 4 - HB2 GLU 28 - HD2 ARG 92 lone 2 63 - 3 - HB2 GLU 28 - HD3 ARG 92 lone 2 63 - 3 - HB2 LYS 119 - HD2 ARG 92 lone 2 98 - 2 - HB2 LYS 119 - HD3 ARG 92 lone 2 98 - 2 - HB VAL 50 - HD2 ARG 92 lone 1 98 - 1 - HB VAL 50 - HD3 ARG 92 lone 1 98 - 1 - HB3 LYS 31 - HD3 ARG 81 lone 1 48 - 2 - HB2 GLU 28 - HD3 ARG 81 lone 1 26 - 3 - HB VAL 50 - HD3 ARG 81 lone 1 48 - 2 - HG12 ILE 22 - HD2 ARG 92 lone 1 65 - 1 - HG12 ILE 22 - HD3 ARG 92 lone 1 65 - 1 - HG3 PRO 68 - HD3 ARG 81 lone 1 50 - 1 - HB2 LEU 58 - HD3 ARG 81 lone 0 51 - 1 - HB3 LYS 109 - HD3 ARG 81 lone 0 47 - 1 - HG12 ILE 22 - HD3 ARG 81 lone 1 27 - 2 - Peak 4457 from cnoeabs.peaks (1.81, 3.15, 42.96 ppm; 3.44 A): 2 out of 36 assignments used, quality = 1.00: * HB3 ARG 92 + HD2 ARG 92 OK 98 100 - 98 - 3.5=93, 1.8/4464=12...(21) HB3 ARG 92 + HD3 ARG 92 OK 98 100 - 98 - 3.5=93, 1.8/4464=12...(21) HB3 ARG 57 - HD3 ARG 81 OK 26 50 - 52 - 3.0/3330=4, 3.5/3338=4...(27) HG3 ARG 53 - HD3 ARG 92 OK 23 81 - 29 - 4425/3.5=4, 4437=3...(15) HG3 ARG 53 - HD2 ARG 92 OK 23 81 - 29 - 4425/3.5=4, 4437=3...(13) HB3 ARG 57 - HD2 ARG 92 OK 16 99 - 16 - 4425/3.5=2, 3314/1.8=1...(4) HB3 ARG 57 - HD3 ARG 92 OK 16 99 - 16 - 4425/3.5=2, 3314/1.8=1...(4) HG13 ILE 63 - HD3 ARG 81 OK 15 44 - 34 - ~8647=4, 3530/3.0=2...(16) HB3 GLU 56 - HD3 ARG 81 OK 11 44 - 25 - ~4126=2, 4.6/1044=2...(8) HB3 GLU 56 - HD2 ARG 92 poor 9 93 - 10 - 4425/3.5=2 HB3 GLU 56 - HD3 ARG 92 poor 9 93 - 10 - 4425/3.5=2 HG13 ILE 63 - HD3 ARG 92 lone 5 93 - 5 - HG13 ILE 63 - HD2 ARG 92 lone 5 93 - 5 - HB3 ARG 92 - HD3 ARG 81 lone 5 52 - 9 - 1.8/4428=1 HG3 ARG 53 - HD3 ARG 81 poor 4 35 - 11 - HB2 PRO 60 - HD2 ARG 92 lone 3 100 - 3 - HB2 PRO 60 - HD3 ARG 92 lone 3 100 - 3 - HB2 PRO 60 - HD3 ARG 81 lone 3 51 - 5 - HG LEU 41 - HD3 ARG 92 lone 3 68 - 4 - HG LEU 41 - HD2 ARG 92 lone 2 68 - 4 - HB3 GLN 105 - HD2 ARG 92 lone 2 96 - 2 - HB3 GLN 105 - HD3 ARG 92 lone 2 96 - 2 - HB2 PRO 37 - HD2 ARG 92 lone 2 83 - 2 - HB2 PRO 37 - HD3 ARG 92 lone 2 83 - 2 - HB2 PRO 37 - HD3 ARG 81 lone 2 37 - 5 - HG2 GLU 75 - HD2 ARG 92 lone 2 99 - 2 - HG2 GLU 75 - HD3 ARG 92 lone 2 99 - 2 - HG2 GLU 75 - HD3 ARG 81 lone 2 49 - 3 - HB3 GLN 105 - HD3 ARG 81 lone 1 46 - 2 - HB2 LYS 32 - HD2 ARG 92 lone 1 83 - 1 - HB2 LYS 32 - HD3 ARG 92 lone 1 83 - 1 - HG LEU 41 - HD3 ARG 81 lone 1 29 - 2 - HB2 GLU 69 - HD2 ARG 92 lone 1 65 - 1 - HB2 GLU 69 - HD3 ARG 92 lone 1 65 - 1 - HB2 LYS 32 - HD3 ARG 81 lone 0 37 - 1 - HB2 GLU 69 - HD3 ARG 81 lone 0 27 - 1 - Peak 4458 from cnoeabs.peaks (1.51, 3.15, 42.96 ppm; 2.86 A): 4 out of 27 assignments used, quality = 1.00: * HG2 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG2 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG3 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG3 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG LEU 91 - HD2 ARG 92 lone 8 81 - 10 - ~7589=1, ~7581=1 HG LEU 91 - HD3 ARG 92 lone 8 81 - 10 - ~7589=1, ~7581=1 HG LEU 93 - HD2 ARG 92 lone 7 87 - 8 - ~4505=1, 5.3/8704=1, 4491/2.9=1 HG LEU 93 - HD3 ARG 92 lone 7 87 - 8 - ~4505=1, 5.3/8704=1, 4491/2.9=1 HB3 LEU 114 - HD2 ARG 92 lone 6 97 - 7 - HB3 LEU 114 - HD3 ARG 92 lone 6 97 - 7 - HB3 LEU 58 - HD2 ARG 92 lone 5 76 - 7 - HB3 LEU 58 - HD3 ARG 92 lone 5 76 - 7 - HG2 ARG 85 - HD2 ARG 92 lone 3 96 - 3 - HG2 ARG 85 - HD3 ARG 92 lone 3 96 - 3 - HG2 ARG 92 - HD3 ARG 81 lone 3 52 - 6 - HG3 ARG 92 - HD3 ARG 81 lone 3 51 - 6 - HB2 LEU 24 - HD2 ARG 92 lone 3 100 - 3 - HB2 LEU 24 - HD3 ARG 92 lone 3 100 - 3 - HD3 LYS 46 - HD2 ARG 92 lone 1 87 - 1 - HD3 LYS 46 - HD3 ARG 92 lone 1 87 - 1 - HB3 LEU 114 - HD3 ARG 81 lone 1 47 - 1 - HB2 LEU 24 - HD3 ARG 81 lone 1 51 - 1 - HG LEU 93 - HD3 ARG 81 lone 0 39 - 1 - HD3 LYS 46 - HD3 ARG 81 lone 0 39 - 1 - HG LEU 91 - HD3 ARG 81 lone 0 35 - 1 - HB3 LEU 58 - HD3 ARG 81 lone 0 33 - 1 - HG2 ARG 85 - HD3 ARG 81 lone 0 46 - 1 - Peak 4459 from cnoeabs.peaks (1.51, 3.15, 42.96 ppm; 2.86 A): 4 out of 30 assignments used, quality = 1.00: * HG3 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG3 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG2 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG2 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG LEU 91 - HD2 ARG 92 poor 8 85 - 10 - ~7589=1, ~7581=1 HG LEU 91 - HD3 ARG 92 poor 8 85 - 10 - ~7589=1, ~7581=1 HG LEU 93 - HD2 ARG 92 lone 8 90 - 8 - 4491/2.9=1, ~4505=1, 5.3/8704=1 HG LEU 93 - HD3 ARG 92 lone 8 90 - 8 - 4491/2.9=1, ~4505=1, 5.3/8704=1 HB3 LEU 114 - HD3 ARG 92 lone 6 99 - 7 - HB3 LEU 114 - HD2 ARG 92 lone 6 99 - 7 - HB3 LEU 58 - HD2 ARG 92 lone 5 81 - 7 - HB3 LEU 58 - HD3 ARG 92 lone 5 81 - 7 - HG2 ARG 85 - HD2 ARG 92 lone 3 97 - 3 - HG2 ARG 85 - HD3 ARG 92 lone 3 97 - 3 - HG3 ARG 92 - HD3 ARG 81 lone 3 52 - 6 - HG2 ARG 92 - HD3 ARG 81 lone 3 51 - 6 - HB2 LEU 24 - HD2 ARG 92 lone 3 100 - 3 - HB2 LEU 24 - HD3 ARG 92 lone 3 100 - 3 - HD3 LYS 46 - HD2 ARG 92 lone 1 83 - 1 - HD3 LYS 46 - HD3 ARG 92 lone 1 83 - 1 - HG2 LYS 109 - HD2 ARG 92 lone 1 63 - 1 - HG2 LYS 109 - HD3 ARG 92 lone 1 63 - 1 - HB3 LEU 114 - HD3 ARG 81 lone 1 49 - 1 - HB2 LEU 24 - HD3 ARG 81 lone 1 51 - 1 - HG LEU 93 - HD3 ARG 81 lone 0 41 - 1 - HG LEU 91 - HD3 ARG 81 lone 0 38 - 1 - HD3 LYS 46 - HD3 ARG 81 lone 0 37 - 1 - HB3 LEU 58 - HD3 ARG 81 lone 0 35 - 1 - HG2 ARG 85 - HD3 ARG 81 lone 0 47 - 1 - HG2 LYS 109 - HD3 ARG 81 lone 0 26 - 1 - Peak 4460 from cnoeabs.peaks (3.15, 3.15, 42.96 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 92 + HD2 ARG 92 OK 100 100 - 100 HD3 ARG 92 + HD3 ARG 92 OK 100 100 - 100 HD3 ARG 81 - HD3 ARG 81 OK 39 39 - 100 Peak 4461 from cnoeabs.peaks (3.15, 3.15, 42.96 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 92 + HD3 ARG 92 OK 100 100 - 100 HD2 ARG 92 + HD2 ARG 92 OK 100 100 - 100 HD3 ARG 81 - HD3 ARG 81 OK 38 38 - 100 Reference assignment not found: HD3 ARG 92 - HD2 ARG 92 Peak 4463 from cnoeabs.peaks (4.18, 3.15, 42.96 ppm; 3.96 A): 2 out of 24 assignments used, quality = 0.99: * HA ARG 92 + HD3 ARG 92 OK 89 100 - 89 - 5.0=50, 4420/1.8=13...(24) HA ARG 92 + HD2 ARG 92 OK 89 100 - 89 - 5.0=50, 4420/1.8=13...(24) HA GLU 56 - HD3 ARG 81 OK 13 39 - 33 - 6114/3.5=4, 7443/1.8=4...(10) HA PRO 68 - HD3 ARG 92 OK 12 100 - 12 - 4423/3.5=4, 4431/3.5=3...(5) HA PRO 68 - HD2 ARG 92 OK 12 100 - 12 - 4423/3.5=4, 4431/3.5=3...(5) HA GLU 56 - HD2 ARG 92 OK 12 89 - 13 - 4423/3.5=3, 4431/3.5=2...(4) HA GLU 56 - HD3 ARG 92 OK 12 89 - 13 - 4423/3.5=3, 4431/3.5=2...(4) HA SER 78 - HD3 ARG 81 poor 8 38 - 21 - 8658/5.9=8, 7450/3.5=4...(5) HA ARG 92 - HD3 ARG 81 poor 7 50 - 13 - 7443/1.8=2, 4420=2...(5) HA VAL 66 - HD3 ARG 92 lone 6 60 - 9 - 4423/3.5=2, 1223/6.1=1...(4) HA VAL 66 - HD2 ARG 92 lone 6 60 - 9 - 4423/3.5=2, 1223/6.1=1...(4) HA LEU 126 - HD2 ARG 92 lone 5 76 - 7 - 4423/3.5=1 HA LEU 126 - HD3 ARG 92 lone 5 76 - 7 - 4423/3.5=1 HA3 GLY 61 - HD3 ARG 92 lone 4 99 - 4 - HA3 GLY 61 - HD2 ARG 92 lone 4 99 - 4 - HA GLU 28 - HD3 ARG 92 lone 3 63 - 5 - HA GLU 28 - HD2 ARG 92 lone 3 63 - 5 - HA VAL 66 - HD3 ARG 81 lone 2 24 - 9 - 7443/1.8=1, 3.2/7189=1 HA SER 78 - HD2 ARG 92 lone 2 87 - 2 - HA SER 78 - HD3 ARG 92 lone 2 87 - 2 - HA GLU 28 - HD3 ARG 81 lone 2 25 - 7 - 6114/3.5=2 HA LEU 126 - HD3 ARG 81 lone 1 32 - 4 - HA PRO 68 - HD3 ARG 81 lone 1 50 - 2 - HA3 GLY 61 - HD3 ARG 81 lone 1 47 - 2 - Peak 4464 from cnoeabs.peaks (1.88, 3.15, 42.96 ppm; 3.21 A): 2 out of 39 assignments used, quality = 0.99: * HB2 ARG 92 + HD3 ARG 92 OK 89 100 - 89 - 3.5=76, 1.8/4465=8...(21) HB2 ARG 92 + HD2 ARG 92 OK 89 100 - 89 - 3.5=76, 1.8/4465=8...(21) HG LEU 55 - HD3 ARG 92 OK 11 99 - 12 - 8640/2.9=2, ~7004=2...(6) HG LEU 55 - HD2 ARG 92 OK 11 99 - 12 - 8640/2.9=2, ~7004=2...(6) HB2 LEU 58 - HD3 ARG 92 lone 9 100 - 9 - 4432/3.5=1, 4448/3.0=1 HB2 LEU 58 - HD2 ARG 92 lone 9 100 - 9 - 4432/3.5=1, 4448/3.0=1 HG LEU 84 - HD3 ARG 81 poor 9 44 - 19 - 7492/4.7=3, ~8518=2...(7) HG3 PRO 68 - HD3 ARG 92 lone 7 99 - 7 - 4432/3.5=2, 4416/5.0=1 HG3 PRO 68 - HD2 ARG 92 lone 7 99 - 7 - 4432/3.5=2, 4416/5.0=1 HG LEU 84 - HD2 ARG 92 lone 5 96 - 6 - 7476/2.9=1, ~7479=1 HG LEU 84 - HD3 ARG 92 lone 5 96 - 6 - 7476/2.9=1, ~7479=1 HB2 LEU 84 - HD3 ARG 81 poor 5 26 - 18 - 6135/4.7=3, ~4248=1...(5) HB2 ARG 92 - HD3 ARG 81 lone 4 50 - 7 - HB3 GLU 28 - HD3 ARG 92 lone 3 99 - 3 - HB3 GLU 28 - HD2 ARG 92 lone 3 99 - 3 - HB2 LEU 84 - HD2 ARG 92 lone 3 65 - 4 - HB2 LEU 84 - HD3 ARG 92 lone 3 65 - 4 - HB3 LYS 109 - HD3 ARG 92 lone 2 97 - 2 - HB3 LYS 109 - HD2 ARG 92 lone 2 97 - 2 - HB2 LYS 119 - HD3 ARG 81 lone 2 47 - 5 - HB3 LYS 31 - HD3 ARG 92 lone 2 98 - 2 - HB3 LYS 31 - HD2 ARG 92 lone 2 98 - 2 - HB3 GLU 28 - HD3 ARG 81 lone 2 48 - 4 - HG LEU 55 - HD3 ARG 81 lone 2 47 - 4 - HB2 GLU 28 - HD3 ARG 92 lone 2 63 - 3 - HB2 GLU 28 - HD2 ARG 92 lone 2 63 - 3 - HB2 LYS 119 - HD2 ARG 92 lone 2 98 - 2 - HB2 LYS 119 - HD3 ARG 92 lone 2 98 - 2 - HB VAL 50 - HD3 ARG 92 lone 1 98 - 1 - HB VAL 50 - HD2 ARG 92 lone 1 98 - 1 - HB3 LYS 31 - HD3 ARG 81 lone 1 47 - 2 - HB2 GLU 28 - HD3 ARG 81 lone 1 25 - 3 - HB VAL 50 - HD3 ARG 81 lone 1 47 - 2 - HG12 ILE 22 - HD3 ARG 92 lone 1 65 - 1 - HG12 ILE 22 - HD2 ARG 92 lone 1 65 - 1 - HG3 PRO 68 - HD3 ARG 81 lone 1 48 - 1 - HB2 LEU 58 - HD3 ARG 81 lone 0 49 - 1 - HG12 ILE 22 - HD3 ARG 81 lone 0 26 - 2 - HB3 LYS 109 - HD3 ARG 81 lone 0 46 - 1 - Peak 4465 from cnoeabs.peaks (1.81, 3.15, 42.96 ppm; 3.44 A): 2 out of 36 assignments used, quality = 1.00: * HB3 ARG 92 + HD3 ARG 92 OK 98 100 - 98 - 3.5=93, 1.8/4464=12...(21) HB3 ARG 92 + HD2 ARG 92 OK 98 100 - 98 - 3.5=93, 1.8/4464=12...(21) HB3 ARG 57 - HD3 ARG 81 OK 25 48 - 51 - 3.0/3330=4, 3.5/3338=4...(27) HG3 ARG 53 - HD3 ARG 92 OK 23 81 - 29 - 4425/3.5=4, 4437=3...(15) HG3 ARG 53 - HD2 ARG 92 OK 23 81 - 29 - 4425/3.5=4, 4437=3...(15) HB3 ARG 57 - HD2 ARG 92 OK 16 99 - 16 - 4425/3.5=2, 3314/1.8=1...(4) HB3 ARG 57 - HD3 ARG 92 OK 16 99 - 16 - 4425/3.5=2, 3314/1.8=1...(4) HG13 ILE 63 - HD3 ARG 81 OK 14 42 - 34 - ~8647=4, 3530/3.0=2...(16) HB3 GLU 56 - HD3 ARG 81 OK 10 42 - 25 - ~4126=2, 4.6/1044=2...(8) HB3 GLU 56 - HD2 ARG 92 poor 9 93 - 10 - 4425/3.5=2 HB3 GLU 56 - HD3 ARG 92 poor 9 93 - 10 - 4425/3.5=2 HG13 ILE 63 - HD2 ARG 92 lone 5 93 - 5 - HG13 ILE 63 - HD3 ARG 92 lone 5 93 - 5 - HB3 ARG 92 - HD3 ARG 81 lone 4 50 - 9 - 1.8/4428=1 HG3 ARG 53 - HD3 ARG 81 poor 4 34 - 11 - HB2 PRO 60 - HD2 ARG 92 lone 3 100 - 3 - HB2 PRO 60 - HD3 ARG 92 lone 3 100 - 3 - HG LEU 41 - HD3 ARG 92 lone 3 68 - 4 - HG LEU 41 - HD2 ARG 92 lone 3 68 - 4 - HB2 PRO 60 - HD3 ARG 81 lone 2 50 - 5 - HB3 GLN 105 - HD2 ARG 92 lone 2 96 - 2 - HB3 GLN 105 - HD3 ARG 92 lone 2 96 - 2 - HB2 PRO 37 - HD3 ARG 92 lone 2 83 - 2 - HB2 PRO 37 - HD2 ARG 92 lone 2 83 - 2 - HB2 PRO 37 - HD3 ARG 81 lone 2 35 - 5 - HG2 GLU 75 - HD2 ARG 92 lone 2 99 - 2 - HG2 GLU 75 - HD3 ARG 92 lone 2 99 - 2 - HG2 GLU 75 - HD3 ARG 81 lone 2 48 - 3 - HB3 GLN 105 - HD3 ARG 81 lone 1 44 - 2 - HB2 LYS 32 - HD3 ARG 92 lone 1 83 - 1 - HB2 LYS 32 - HD2 ARG 92 lone 1 83 - 1 - HB2 GLU 69 - HD3 ARG 92 lone 1 65 - 1 - HB2 GLU 69 - HD2 ARG 92 lone 1 65 - 1 - HG LEU 41 - HD3 ARG 81 lone 1 28 - 2 - HB2 LYS 32 - HD3 ARG 81 lone 0 35 - 1 - HB2 GLU 69 - HD3 ARG 81 lone 0 26 - 1 - Peak 4466 from cnoeabs.peaks (1.51, 3.15, 42.96 ppm; 2.86 A): 4 out of 27 assignments used, quality = 1.00: * HG2 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG2 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG3 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG3 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG LEU 91 - HD3 ARG 92 lone 8 81 - 10 - ~7589=1, ~7581=1 HG LEU 91 - HD2 ARG 92 lone 8 81 - 10 - ~7589=1, ~7581=1 HG LEU 93 - HD3 ARG 92 lone 7 87 - 8 - ~4505=1, 5.3/8704=1, 4491/2.9=1 HG LEU 93 - HD2 ARG 92 lone 7 87 - 8 - ~4505=1, 5.3/8704=1, 4491/2.9=1 HB3 LEU 114 - HD3 ARG 92 lone 6 97 - 7 - HB3 LEU 114 - HD2 ARG 92 lone 6 97 - 7 - HB3 LEU 58 - HD3 ARG 92 lone 5 76 - 7 - HB3 LEU 58 - HD2 ARG 92 lone 5 76 - 7 - HG2 ARG 85 - HD3 ARG 92 lone 3 96 - 3 - HG2 ARG 85 - HD2 ARG 92 lone 3 96 - 3 - HG2 ARG 92 - HD3 ARG 81 lone 3 50 - 6 - HG3 ARG 92 - HD3 ARG 81 lone 3 50 - 6 - HB2 LEU 24 - HD2 ARG 92 lone 3 100 - 3 - HB2 LEU 24 - HD3 ARG 92 lone 3 100 - 3 - HD3 LYS 46 - HD3 ARG 92 lone 1 87 - 1 - HD3 LYS 46 - HD2 ARG 92 lone 1 87 - 1 - HB3 LEU 114 - HD3 ARG 81 lone 1 46 - 1 - HB2 LEU 24 - HD3 ARG 81 lone 1 49 - 1 - HG LEU 93 - HD3 ARG 81 lone 0 38 - 1 - HD3 LYS 46 - HD3 ARG 81 lone 0 38 - 1 - HG LEU 91 - HD3 ARG 81 lone 0 34 - 1 - HB3 LEU 58 - HD3 ARG 81 lone 0 32 - 1 - HG2 ARG 85 - HD3 ARG 81 lone 0 44 - 1 - Peak 4467 from cnoeabs.peaks (1.51, 3.15, 42.96 ppm; 2.86 A): 4 out of 30 assignments used, quality = 1.00: * HG3 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG3 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG2 ARG 92 + HD3 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG2 ARG 92 + HD2 ARG 92 OK 93 100 - 93 - 3.0=90, 3.0/4464=6...(10) HG LEU 91 - HD3 ARG 92 poor 8 85 - 10 - ~7589=1, ~7581=1 HG LEU 91 - HD2 ARG 92 poor 8 85 - 10 - ~7589=1, ~7581=1 HG LEU 93 - HD3 ARG 92 lone 8 90 - 8 - 4491/2.9=1, ~4505=1, 5.3/8704=1 HG LEU 93 - HD2 ARG 92 lone 8 90 - 8 - 4491/2.9=1, ~4505=1, 5.3/8704=1 HB3 LEU 114 - HD3 ARG 92 lone 6 99 - 7 - HB3 LEU 114 - HD2 ARG 92 lone 6 99 - 7 - HB3 LEU 58 - HD3 ARG 92 lone 5 81 - 7 - HB3 LEU 58 - HD2 ARG 92 lone 5 81 - 7 - HG2 ARG 85 - HD3 ARG 92 lone 3 97 - 3 - HG2 ARG 85 - HD2 ARG 92 lone 3 97 - 3 - HG3 ARG 92 - HD3 ARG 81 lone 3 50 - 6 - HG2 ARG 92 - HD3 ARG 81 lone 3 50 - 6 - HB2 LEU 24 - HD2 ARG 92 lone 3 100 - 3 - HB2 LEU 24 - HD3 ARG 92 lone 3 100 - 3 - HD3 LYS 46 - HD3 ARG 92 lone 1 83 - 1 - HD3 LYS 46 - HD2 ARG 92 lone 1 83 - 1 - HG2 LYS 109 - HD2 ARG 92 lone 1 63 - 1 - HG2 LYS 109 - HD3 ARG 92 lone 1 63 - 1 - HB3 LEU 114 - HD3 ARG 81 lone 1 47 - 1 - HB2 LEU 24 - HD3 ARG 81 lone 1 50 - 1 - HG LEU 93 - HD3 ARG 81 lone 0 40 - 1 - HG LEU 91 - HD3 ARG 81 lone 0 37 - 1 - HD3 LYS 46 - HD3 ARG 81 lone 0 35 - 1 - HB3 LEU 58 - HD3 ARG 81 lone 0 34 - 1 - HG2 ARG 85 - HD3 ARG 81 lone 0 46 - 1 - HG2 LYS 109 - HD3 ARG 81 lone 0 25 - 1 - Peak 4468 from cnoeabs.peaks (3.15, 3.15, 42.96 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 92 + HD3 ARG 92 OK 100 100 - 100 HD2 ARG 92 + HD2 ARG 92 OK 100 100 - 100 HD3 ARG 81 - HD3 ARG 81 OK 38 38 - 100 Reference assignment not found: HD2 ARG 92 - HD3 ARG 92 Peak 4469 from cnoeabs.peaks (3.15, 3.15, 42.96 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 92 + HD3 ARG 92 OK 100 100 - 100 HD2 ARG 92 + HD2 ARG 92 OK 100 100 - 100 HD3 ARG 81 - HD3 ARG 81 OK 37 37 - 100 Peak 4470 from cnoeabs.peaks (7.09, 4.38, 53.97 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 93 + HA LEU 93 OK 100 100 - 100 - 3.0=100 HZ PHE 96 - HA LEU 93 OK 20 96 - 22 - 4484/3.0=4, 4505/3.8=4...(8) HE ARG 92 - HA LEU 93 OK 16 92 - 18 - 4484/3.0=3, 4505/3.8=3...(9) QD PHE 83 - HA LEU 93 lone 7 78 - 9 - 458/3.6=1, 4505/3.8=1...(4) QD PHE 40 - HA LEU 93 lone 6 63 - 9 - 4.5/5801=2, 458/3.6=2 Peak 4471 from cnoeabs.peaks (4.38, 4.38, 53.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 93 + HA LEU 93 OK 100 100 - 100 Peak 4472 from cnoeabs.peaks (1.47, 4.38, 53.97 ppm; 3.30 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LEU 93 + HA LEU 93 OK 100 100 - 100 - 3.0=100 HG LEU 93 + HA LEU 93 OK 50 65 - 77 - 4.3=46, 2.1/4506=15...(18) HG LEU 91 - HA LEU 93 OK 37 73 - 51 - 2.1/8376=7, 2.1/4475=7...(23) HG3 LYS 31 - HA LEU 93 OK 23 100 - 24 - 1.8/4473=4, 2439/3.0=3...(10) HB3 LEU 58 - HA LEU 93 OK 19 78 - 24 - 8306/3.0=2, ~8304=2...(11) HB3 LEU 101 - HA LEU 93 poor 9 68 - 14 - ~8743=2, ~7726=2...(5) QB ALA 14 - HA LEU 93 lone 9 100 - 9 - 6305/3.8=2, 4486/3.0=1 HG2 LYS 119 - HA LEU 93 lone 8 100 - 8 - HD3 LYS 65 - HA LEU 93 lone 6 78 - 8 - HD2 LYS 65 - HA LEU 93 lone 6 78 - 8 - HG LEU 24 - HA LEU 93 lone 6 92 - 6 - QB ALA 89 - HA LEU 93 lone 5 71 - 7 - ~450=2, 1232/3.0=2, 4507/3.8=1 HD2 LYS 46 - HA LEU 93 lone 4 99 - 4 - HG3 ARG 57 - HA LEU 93 lone 4 100 - 4 - HB3 LEU 45 - HA LEU 93 lone 3 92 - 4 - HG2 LYS 109 - HA LEU 93 lone 3 92 - 3 - HB3 GLU 75 - HA LEU 93 lone 3 92 - 3 - Peak 4473 from cnoeabs.peaks (1.38, 4.38, 53.97 ppm; 3.45 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 93 + HA LEU 93 OK 100 100 - 100 - 3.0=100 HB2 LEU 111 - HA LEU 93 OK 37 99 - 37 - 3.0/4475=4, 4508/3.8=4...(16) QG2 THR 121 - HA LEU 93 OK 30 99 - 30 - 8085/3.8=5, 5309=3...(13) HG2 LYS 31 - HA LEU 93 OK 26 96 - 27 - 2430/3.0=3, 1.8/4472=3...(11) HB2 LEU 27 - HA LEU 93 OK 18 93 - 20 - 1233/3.0=2, 8482/3.8=2...(8) HB VAL 110 - HA LEU 93 OK 15 97 - 16 - ~7857=3, 1233/3.0=2...(6) HG LEU 59 - HA LEU 93 OK 12 85 - 15 - 4508/3.8=2, 2.1/4476=2...(5) Peak 4474 from cnoeabs.peaks (1.49, 4.38, 53.97 ppm; 3.39 A): 3 out of 13 assignments used, quality = 0.97: * HG LEU 93 + HA LEU 93 OK 80 100 - 80 - 4.3=50, 2.1/4506=16...(18) HB2 LEU 93 + HA LEU 93 OK 65 65 - 100 - 3.0=100 HG LEU 91 + HA LEU 93 OK 56 100 - 56 - 2.1/8376=8, 2.1/4475=7...(23) HB3 LEU 58 - HA LEU 93 OK 26 100 - 27 - 8306/3.0=3, 462/3.6=2...(15) HG3 ARG 92 - HA LEU 93 OK 23 90 - 25 - 455/3.0=4, ~453=4...(9) HG2 ARG 92 - HA LEU 93 OK 22 87 - 25 - 455/3.0=4, ~453=4...(9) HB3 LEU 114 - HA LEU 93 OK 21 99 - 21 - ~7948=4, 3.0/7598=3...(8) HG3 LYS 31 - HA LEU 93 OK 13 60 - 22 - 1.8/4473=4, 2439/3.0=2...(10) HG2 ARG 85 - HA LEU 93 lone 6 99 - 6 - 5772/3.6=1, 5.0/5801=1 HB2 LEU 24 - HA LEU 93 lone 6 93 - 6 - QB ALA 14 - HA LEU 93 lone 4 65 - 6 - 6305/3.8=1 HG2 LYS 109 - HA LEU 93 lone 3 96 - 3 - HG3 ARG 57 - HA LEU 93 lone 2 71 - 3 - Peak 4475 from cnoeabs.peaks (0.76, 4.38, 53.97 ppm; 3.43 A): 2 out of 7 assignments used, quality = 0.96: * QD2 LEU 93 + HA LEU 93 OK 91 100 - 91 - 3.8=76, 2.1/4506=16...(18) QD1 LEU 91 + HA LEU 93 OK 59 97 - 62 - 2.1/8376=8, 8371/3.0=7...(26) HG LEU 111 - HA LEU 93 OK 42 100 - 43 - 4499=6, 4489/3.0=4...(19) QD2 LEU 111 - HA LEU 93 OK 31 78 - 40 - 4499=5, 3.1/4473=4...(19) QD1 LEU 84 - HA LEU 93 OK 17 99 - 17 - 7481/3.0=4, ~7479=2...(8) QG2 ILE 63 - HA LEU 93 OK 13 99 - 13 - 1235/3.0=2, 463/3.6=2...(7) QG2 VAL 66 - HA LEU 93 lone 6 87 - 7 - 1235/3.0=1, 463/3.6=1, ~7594=1 Peak 4476 from cnoeabs.peaks (0.83, 4.38, 53.97 ppm; 3.70 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 93 + HA LEU 93 OK 99 100 - 99 - 3.8=95, 4508/3.0=16...(20) QD2 LEU 91 + HA LEU 93 OK 67 95 - 71 - 8376=10, 2.1/4475=9...(30) QD2 LEU 114 - HA LEU 93 OK 24 76 - 32 - 7948/3.0=9, 2.1/7598=4...(11) QD2 LEU 55 - HA LEU 93 OK 24 85 - 28 - ~7003=4, ~8640=3...(11) HG13 ILE 22 - HA LEU 93 OK 18 98 - 18 - 8476/3.0=3, 1236/3.0=2...(7) QG1 VAL 115 - HA LEU 93 OK 16 100 - 16 - 7965/3.0=3, 4.3/1366=3...(7) QD1 LEU 59 - HA LEU 93 OK 15 95 - 16 - 4490/3.0=2, 2.1/4473=2...(5) QD1 ILE 22 - HA LEU 93 poor 9 63 - 14 - ~8476=2, ~4490=1...(7) HB2 ASN 118 - HA LEU 93 lone 7 99 - 7 - 1236/3.0=1 Peak 4477 from cnoeabs.peaks (7.09, 1.47, 43.83 ppm; 4.18 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 93 + HB2 LEU 93 OK 100 100 - 100 - 3.8=100 HZ PHE 96 - HB2 LEU 93 OK 30 96 - 31 - 4484/1.8=7, 4505/3.1=6...(7) HE ARG 92 - HB2 LEU 93 OK 21 92 - 22 - 4484/1.8=5, 4505/3.1=4...(6) H LEU 93 - HB3 LEU 58 OK 12 50 - 24 - 452/1.8=4, 7595/3.1=4...(8) QD PHE 83 - HB2 LEU 93 poor 9 78 - 12 - 4484/1.8=2, 4505/3.1=2...(5) QD PHE 40 - HB2 LEU 93 poor 8 63 - 12 - 4.5/5802=2, 4484/1.8=2...(5) HZ PHE 96 - HB3 LEU 58 poor 7 45 - 16 - 4729/3.1=4, 4729/3.1=3...(5) QD PHE 40 - HB3 LEU 58 poor 3 25 - 12 - 6349/3.1=3, ~6348=2...(4) HE ARG 92 - HB3 LEU 58 lone 2 42 - 5 - QD PHE 83 - HB3 LEU 58 lone 1 33 - 2 - Peak 4478 from cnoeabs.peaks (4.38, 1.47, 43.83 ppm; 4.10 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 93 + HB2 LEU 93 OK 100 100 - 100 - 3.0=100 HB THR 116 + HB2 LEU 93 OK 66 97 - 68 - 4485/1.8=11, 2.1/7609=11...(19) HA THR 121 - HB2 LEU 93 OK 19 60 - 31 - 4485/1.8=4, ~8085=3...(14) HA GLN 105 - HB2 LEU 93 OK 18 100 - 18 - 4485/1.8=3, 1231/3.8=2...(9) HA LEU 93 - HB3 LEU 58 OK 18 50 - 35 - ~8304=3, 4472=3...(19) HA SER 35 - HB2 LEU 93 OK 15 99 - 15 - 4485/1.8=3, 4506/3.1=2...(6) HB THR 116 - HB3 LEU 58 poor 9 46 - 20 - 2.1/7992=3, ~7063=2...(9) HA THR 121 - HB3 LEU 58 poor 7 24 - 30 - ~8090=4, ~8749=4...(13) HA MET 11 - HB2 LEU 93 lone 6 90 - 6 - HA CYS 76 - HB2 LEU 93 lone 3 71 - 5 - HA MET 11 - HB3 LEU 58 lone 2 41 - 5 - 1841/3.0=1 HA GLN 105 - HB3 LEU 58 lone 1 50 - 2 - HA SER 35 - HB3 LEU 58 lone 1 49 - 2 - HA CYS 76 - HB3 LEU 58 lone 0 29 - 1 - Peak 4479 from cnoeabs.peaks (1.47, 1.47, 43.83 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 93 + HB2 LEU 93 OK 100 100 - 100 HB3 LEU 58 - HB3 LEU 58 OK 33 33 - 100 Peak 4480 from cnoeabs.peaks (1.38, 1.47, 43.83 ppm; 3.04 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 93 + HB2 LEU 93 OK 100 100 - 100 - 1.8=100 HB2 LEU 111 - HB2 LEU 93 OK 40 99 - 41 - 4508/3.1=4, 3.1/7911=4...(16) HG2 LYS 31 - HB2 LEU 93 OK 33 96 - 35 - 2430=5, 2.9/2420=2...(15) QG2 THR 121 - HB2 LEU 93 OK 22 99 - 23 - 8085/3.1=5, 5309/3.0=3...(10) HB2 LEU 27 - HB2 LEU 93 OK 15 93 - 16 - 4508/3.1=2, 4473/3.0=2...(4) HB3 LEU 93 - HB3 LEU 58 OK 14 50 - 28 - 4486=3, 7062/3.1=3...(11) HG LEU 59 - HB2 LEU 93 OK 13 85 - 15 - 4508/3.1=2, 2.1/4483=1...(5) HB2 LEU 27 - HB3 LEU 58 OK 12 43 - 28 - 7062/3.1=4, 8304/1.8=3...(13) HG2 LYS 31 - HB3 LEU 58 OK 12 45 - 27 - 2428/1.8=3, 2430=3...(8) QG2 THR 121 - HB3 LEU 58 OK 12 49 - 24 - 8086/3.1=5, 8090/1.8=4...(8) HB VAL 110 - HB2 LEU 93 OK 12 97 - 12 - 1233/3.8=1, 4473/3.0=1...(6) HB2 LEU 111 - HB3 LEU 58 poor 6 48 - 13 - 7062/3.1=2, 8304/1.8=2...(6) HB VAL 110 - HB3 LEU 58 poor 6 46 - 12 - 7062/3.1=2, 4.0/554=2...(8) HG LEU 59 - HB3 LEU 58 poor 5 37 - 14 - 3410/4.6=4, 8304/1.8=2...(5) Peak 4481 from cnoeabs.peaks (1.49, 1.47, 43.83 ppm; diagonal): 2 out of 2 assignments used, quality = 0.83: HB2 LEU 93 + HB2 LEU 93 OK 65 65 - 100 HB3 LEU 58 + HB3 LEU 58 OK 49 49 - 100 Reference assignment not found: HG LEU 93 - HB2 LEU 93 Peak 4482 from cnoeabs.peaks (0.76, 1.47, 43.83 ppm; 4.04 A): 4 out of 14 assignments used, quality = 1.00: * QD2 LEU 93 + HB2 LEU 93 OK 100 100 - 100 - 3.1=100 QD1 LEU 91 + HB2 LEU 93 OK 80 97 - 83 - 8371/1.8=12, 4510/3.1=9...(45) HG LEU 111 + HB2 LEU 93 OK 66 100 - 66 - 2.1/7911=8, 4489/1.8=7...(38) QD2 LEU 111 + HB2 LEU 93 OK 50 78 - 64 - 2.1/7911=8, 4489/1.8=6...(37) QD1 LEU 84 - HB2 LEU 93 OK 24 99 - 24 - 7481/3.8=4, 4489/1.8=3...(9) QG2 ILE 63 - HB2 LEU 93 OK 22 99 - 22 - 1235/3.8=2, 4489/1.8=2...(7) QD2 LEU 93 - HB3 LEU 58 OK 19 50 - 38 - ~8304=3, ~7601=3...(21) QD1 LEU 91 - HB3 LEU 58 OK 14 46 - 31 - 8373/3.1=3, ~8370=3...(17) QG2 VAL 66 - HB2 LEU 93 OK 11 87 - 12 - 1235/3.8=1, 463/4.4=1 HG LEU 111 - HB3 LEU 58 OK 10 50 - 20 - 2.1/7911=2, ~8304=2...(8) QD2 LEU 111 - HB3 LEU 58 poor 6 33 - 19 - 2.1/7911=2, ~8420=2...(7) QG2 ILE 63 - HB3 LEU 58 poor 5 49 - 11 - 7145/3.0=3 QD1 LEU 84 - HB3 LEU 58 lone 4 48 - 8 - QG2 VAL 66 - HB3 LEU 58 lone 1 38 - 4 - Peak 4483 from cnoeabs.peaks (0.83, 1.47, 43.83 ppm; 3.86 A): 2 out of 18 assignments used, quality = 1.00: * QD1 LEU 93 + HB2 LEU 93 OK 100 100 - 100 - 3.1=100 QD2 LEU 91 + HB2 LEU 93 OK 77 95 - 81 - 8376/3.0=10, 7589/3.8=8...(44) HG13 ILE 22 - HB2 LEU 93 OK 27 98 - 28 - 4490/1.8=3, ~6442=2...(12) QG1 VAL 115 - HB2 LEU 93 OK 25 100 - 25 - 7965=4, 2.1/8169=3...(9) QD2 LEU 114 - HB2 LEU 93 OK 25 76 - 33 - 7948/3.8=8, 4490/1.8=3...(10) QD1 LEU 59 - HB2 LEU 93 OK 24 95 - 26 - 4490/1.8=3, 2.1/4480=2...(14) QD2 LEU 55 - HB2 LEU 93 OK 19 85 - 23 - 1236/3.8=3, 4476/3.0=3...(7) QD1 LEU 93 - HB3 LEU 58 OK 18 50 - 36 - ~8304=3, 4507=3, ~7601=2...(20) QD2 LEU 91 - HB3 LEU 58 OK 15 44 - 34 - 8370/3.1=5, 8370/3.1=3...(14) QD1 ILE 22 - HB2 LEU 93 OK 14 63 - 23 - ~8476=3, ~4490=2...(7) HB2 ASN 118 - HB2 LEU 93 OK 11 99 - 11 - ~8023=1, 4490/1.8=1, 4.6/1385=1 HG13 ILE 22 - HB3 LEU 58 OK 11 47 - 24 - 2172/1.8=3, ~8477=3...(10) QD1 LEU 59 - HB3 LEU 58 OK 10 44 - 24 - 3417/4.6=6, ~8414=3...(8) QD2 LEU 55 - HB3 LEU 58 poor 7 37 - 18 - 1057/4.6=3, 4.0/7012=3...(5) HB2 ASN 118 - HB3 LEU 58 poor 7 48 - 14 - 5178/3.9=3, ~8021=3...(5) QD1 ILE 22 - HB3 LEU 58 poor 5 25 - 21 - ~8477=2, ~7056=2...(10) QD2 LEU 114 - HB3 LEU 58 poor 5 32 - 15 - 7955/4.6=3, 7052/3.9=2, 5087=1 QG1 VAL 115 - HB3 LEU 58 lone 4 50 - 8 - 1057/4.6=1 Peak 4484 from cnoeabs.peaks (7.09, 1.38, 43.83 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 93 + HB3 LEU 93 OK 100 100 - 100 - 3.8=100 HZ PHE 96 - HB3 LEU 93 OK 30 96 - 32 - 4505/3.1=6, 4477/1.8=6...(7) HE ARG 92 - HB3 LEU 93 OK 21 92 - 22 - 4505/3.1=4, 4477/1.8=4...(6) QD PHE 83 - HB3 LEU 93 poor 9 78 - 12 - 4505/3.1=2, 4477/1.8=2...(5) QD PHE 40 - HB3 LEU 93 poor 8 63 - 13 - 4.5/5803=2, 458/4.4=2...(5) Peak 4485 from cnoeabs.peaks (4.38, 1.38, 43.83 ppm; 4.05 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 93 + HB3 LEU 93 OK 100 100 - 100 - 3.0=100 HB THR 116 + HB3 LEU 93 OK 64 97 - 66 - 4506/3.1=10, ~8377=10...(17) HA THR 121 - HB3 LEU 93 OK 22 60 - 37 - 3.0/1399=4, 3.0/5307=3...(17) HA GLN 105 - HB3 LEU 93 OK 17 100 - 17 - 4478/1.8=3, 1231/3.8=2...(9) HA SER 35 - HB3 LEU 93 OK 15 99 - 15 - 4478/1.8=2, 4506/3.1=2...(6) HA MET 11 - HB3 LEU 93 lone 5 90 - 6 - HA CYS 76 - HB3 LEU 93 lone 3 71 - 4 - Peak 4486 from cnoeabs.peaks (1.47, 1.38, 43.83 ppm; 2.94 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LEU 93 + HB3 LEU 93 OK 100 100 - 100 - 1.8=100 HG LEU 93 + HB3 LEU 93 OK 64 65 - 98 - 3.0=96, 2.1/4508=14...(14) HG LEU 91 - HB3 LEU 93 OK 35 73 - 48 - 2.1/8371=5, 2.1/4490=4...(27) HG3 LYS 31 - HB3 LEU 93 OK 32 100 - 33 - 2439=5, 2.9/2419=3...(14) HB3 LEU 58 - HB3 LEU 93 OK 21 78 - 27 - 8306=4, 3.1/7062=3...(9) QB ALA 14 - HB3 LEU 93 OK 11 100 - 11 - 6305/3.1=2, ~1900=1 HG2 LYS 119 - HB3 LEU 93 lone 9 100 - 9 - 2439=1 HG LEU 24 - HB3 LEU 93 lone 7 92 - 8 - HB3 LEU 101 - HB3 LEU 93 lone 7 68 - 10 - 3.1/8445=2 HD3 LYS 65 - HB3 LEU 93 lone 6 78 - 7 - HD2 LYS 65 - HB3 LEU 93 lone 6 78 - 7 - QB ALA 89 - HB3 LEU 93 lone 5 71 - 7 - ~8528=1, 4507/3.1=1 HG2 LYS 109 - HB3 LEU 93 lone 3 92 - 4 - HG3 ARG 57 - HB3 LEU 93 lone 3 100 - 3 - HD2 LYS 46 - HB3 LEU 93 lone 3 99 - 3 - HB3 LEU 45 - HB3 LEU 93 lone 3 92 - 3 - HB3 GLU 75 - HB3 LEU 93 lone 2 92 - 2 - Peak 4487 from cnoeabs.peaks (1.38, 1.38, 43.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 93 + HB3 LEU 93 OK 100 100 - 100 Peak 4488 from cnoeabs.peaks (1.49, 1.38, 43.83 ppm; 3.04 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 93 + HB3 LEU 93 OK 100 100 - 100 - 3.0=100 HB2 LEU 93 + HB3 LEU 93 OK 65 65 - 100 - 1.8=100 HG LEU 91 + HB3 LEU 93 OK 54 100 - 55 - 4494=6, 2.1/8371=5...(30) HB3 LEU 58 - HB3 LEU 93 OK 31 100 - 31 - 8306=5, 3.1/7062=3...(12) HG3 LYS 31 - HB3 LEU 93 OK 19 60 - 31 - 2.9/2419=3, 2.9/2409=3...(13) HB3 LEU 114 - HB3 LEU 93 OK 16 99 - 16 - 5075/3.1=2, 455/3.8=2...(5) HG3 ARG 92 - HB3 LEU 93 poor 10 90 - 11 - 455/3.8=3, 4.0/4484=1 HG2 ARG 92 - HB3 LEU 93 poor 9 87 - 11 - 455/3.8=3, 4.0/4484=1 HB2 LEU 24 - HB3 LEU 93 lone 8 93 - 9 - QB ALA 14 - HB3 LEU 93 lone 6 65 - 10 - 6305/3.1=1, ~1900=1 HG2 ARG 85 - HB3 LEU 93 lone 5 99 - 5 - 5.0/5803=1 HG2 LYS 109 - HB3 LEU 93 lone 4 96 - 4 - HG3 ARG 57 - HB3 LEU 93 lone 2 71 - 3 - Peak 4489 from cnoeabs.peaks (0.76, 1.38, 43.83 ppm; 4.02 A): 4 out of 7 assignments used, quality = 1.00: * QD2 LEU 93 + HB3 LEU 93 OK 100 100 - 100 - 3.1=100 QD1 LEU 91 + HB3 LEU 93 OK 77 97 - 80 - 8371=11, 4510/3.1=9...(39) HG LEU 111 + HB3 LEU 93 OK 67 100 - 67 - 2.1/5020=7, 4482/1.8=6...(38) QD2 LEU 111 + HB3 LEU 93 OK 50 78 - 64 - 2.1/5020=7, ~7911=5...(37) QD1 LEU 84 - HB3 LEU 93 OK 23 99 - 24 - 7481/3.8=4, 4475/3.0=2...(9) QG2 ILE 63 - HB3 LEU 93 OK 20 99 - 20 - 1235/3.8=2, 463/4.4=2...(7) QG2 VAL 66 - HB3 LEU 93 poor 9 87 - 11 - 1235/3.8=1, 463/4.4=1 Peak 4490 from cnoeabs.peaks (0.83, 1.38, 43.83 ppm; 3.96 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 93 + HB3 LEU 93 OK 100 100 - 100 - 3.1=100 QD2 LEU 91 + HB3 LEU 93 OK 73 95 - 77 - 8376/3.0=11, 2.1/8371=9...(36) HG13 ILE 22 - HB3 LEU 93 OK 32 98 - 33 - 8476=4, 2.1/6442=3...(14) QD1 LEU 59 - HB3 LEU 93 OK 29 95 - 31 - 3421=3, 4483/1.8=2...(16) QD2 LEU 114 - HB3 LEU 93 OK 26 76 - 35 - 7948/3.8=8, 4476/3.0=3...(13) QG1 VAL 115 - HB3 LEU 93 OK 22 100 - 22 - 7965/1.8=4, ~8169=2...(7) QD2 LEU 55 - HB3 LEU 93 OK 21 85 - 25 - 1236/3.8=3, 4476/3.0=3...(8) QD1 ILE 22 - HB3 LEU 93 OK 17 63 - 27 - 2.1/8476=3, 4.2/6431=2...(11) HB2 ASN 118 - HB3 LEU 93 OK 12 99 - 12 - 3.0/8023=2, 4483/1.8=1, ~5186=1 Peak 4491 from cnoeabs.peaks (7.09, 1.49, 26.18 ppm; 3.91 A): 2 out of 10 assignments used, quality = 0.94: * H LEU 93 + HG LEU 93 OK 83 100 - 83 - 5.3=41, 4505/2.1=18...(16) H LEU 93 + HG LEU 91 OK 64 91 - 71 - 7589/2.1=11, 7582/3.0=11...(18) HZ PHE 96 - HG LEU 93 OK 25 96 - 27 - 4505/2.1=6, 4484/3.0=5...(6) HZ PHE 96 - HG LEU 91 OK 25 83 - 30 - 7582/3.0=6, 4731/2.1=5...(8) HE ARG 92 - HG LEU 93 OK 20 92 - 21 - 4505/2.1=4, 4484/3.0=3...(6) HE ARG 92 - HG LEU 91 OK 17 79 - 22 - 7589/2.1=5, 7581/3.0=4...(6) QD PHE 83 - HG LEU 93 lone 7 78 - 9 - 4505/2.1=2, 4498/2.1=1...(5) QD PHE 40 - HG LEU 93 lone 6 63 - 9 - 4.5/5804=1, 4505/2.1=1...(4) QD PHE 83 - HG LEU 91 lone 3 65 - 5 - 7589/2.1=1 QD PHE 40 - HG LEU 91 lone 3 51 - 6 - ~4830=1, 7589/2.1=1 Peak 4492 from cnoeabs.peaks (4.38, 1.49, 26.18 ppm; 4.31 A): 3 out of 14 assignments used, quality = 1.00: * HA LEU 93 + HG LEU 93 OK 100 100 - 100 - 4.3=100 HA LEU 93 + HG LEU 91 OK 68 91 - 75 - 8376/2.1=12, 4475/2.1=10...(23) HB THR 116 + HG LEU 93 OK 68 97 - 70 - ~8377=16, 4506/2.1=14...(16) HB THR 116 - HG LEU 91 OK 25 84 - 30 - ~8368=8, 7985/2.1=6...(7) HA THR 121 - HG LEU 93 OK 18 60 - 30 - ~8085=5, 4485/3.0=3...(14) HA SER 35 - HG LEU 93 OK 16 99 - 16 - 4506/2.1=3, 4485/3.0=2...(6) HA SER 35 - HG LEU 91 OK 14 89 - 15 - 8376/2.1=2, ~6290=2...(8) HA GLN 105 - HG LEU 93 OK 13 100 - 13 - 4485/3.0=3, 4506/2.1=2...(5) HA THR 121 - HG LEU 91 poor 5 49 - 11 - ~8085=3, 8376/2.1=3, ~8371=2 HA MET 11 - HG LEU 93 lone 4 90 - 5 - HA GLN 105 - HG LEU 91 lone 4 90 - 4 - 8376/2.1=1 HA CYS 76 - HG LEU 93 lone 3 71 - 4 - HA MET 11 - HG LEU 91 lone 1 77 - 1 - HA CYS 76 - HG LEU 91 lone 1 59 - 2 - Peak 4493 from cnoeabs.peaks (1.47, 1.49, 26.18 ppm; diagonal): 2 out of 2 assignments used, quality = 0.86: HG LEU 93 + HG LEU 93 OK 65 65 - 100 HG LEU 91 + HG LEU 91 OK 61 61 - 100 Reference assignment not found: HB2 LEU 93 - HG LEU 93 Peak 4494 from cnoeabs.peaks (1.38, 1.49, 26.18 ppm; 3.24 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LEU 93 + HG LEU 93 OK 100 100 - 100 - 3.0=100 HB3 LEU 93 + HG LEU 91 OK 55 91 - 60 - 4488=8, 4490/2.1=5...(33) HB2 LEU 111 - HG LEU 93 OK 43 99 - 43 - 4508/2.1=6, 5001/2.1=4...(21) HB2 LEU 111 - HG LEU 91 OK 32 88 - 36 - 5002/2.1=6, 5003/2.1=4...(17) HG2 LYS 31 - HG LEU 93 OK 26 96 - 28 - 4508/2.1=3, 2430/3.0=3...(12) QG2 THR 121 - HG LEU 93 OK 23 99 - 23 - 8085/2.1=7, 4508/2.1=4...(6) HB2 LEU 27 - HG LEU 93 OK 15 93 - 16 - 4508/2.1=3, 4480/3.0=1...(6) HG LEU 59 - HG LEU 93 OK 13 85 - 16 - 4508/2.1=3, 4480/3.0=1...(4) HB VAL 110 - HG LEU 93 OK 12 97 - 12 - ~7874=2, 4508/2.1=2...(4) HG2 LYS 31 - HG LEU 91 OK 10 83 - 13 - 2427/3.0=2, 8371/2.1=1 HB2 LEU 27 - HG LEU 91 OK 10 80 - 13 - ~8370=2, 8482/2.1=1, ~8373=1 QG2 THR 121 - HG LEU 91 lone 9 89 - 10 - 8085/2.1=4 HG LEU 59 - HG LEU 91 lone 6 72 - 8 - 3415/2.1=1 HB VAL 110 - HG LEU 91 lone 3 84 - 4 - Peak 4495 from cnoeabs.peaks (1.49, 1.49, 26.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 93 + HG LEU 93 OK 100 100 - 100 HG LEU 91 + HG LEU 91 OK 90 90 - 100 Peak 4496 from cnoeabs.peaks (0.76, 1.49, 26.18 ppm; 3.32 A): 5 out of 14 assignments used, quality = 1.00: * QD2 LEU 93 + HG LEU 93 OK 100 100 - 100 - 2.1=100 QD1 LEU 91 + HG LEU 91 OK 84 84 - 100 - 2.1=100 QD1 LEU 91 + HG LEU 93 OK 65 97 - 68 - 4510/2.1=9, 4411=7...(35) QD2 LEU 93 + HG LEU 91 OK 57 91 - 63 - 4406/2.1=7, 2.1/4509=7...(28) HG LEU 111 + HG LEU 93 OK 48 100 - 48 - 4510/2.1=6, 4489/3.0=4...(27) HG LEU 111 - HG LEU 91 OK 41 90 - 46 - 4406/2.1=5, 4385/3.0=3...(29) QD2 LEU 111 - HG LEU 93 OK 36 78 - 46 - 4510/2.1=4, 3.1/4494=3...(27) QD2 LEU 111 - HG LEU 91 OK 30 65 - 45 - 4406/2.1=5, 4385/3.0=3...(29) QD1 LEU 84 - HG LEU 93 OK 15 99 - 15 - 4510/2.1=2, 7481/5.3=2...(8) QG2 ILE 63 - HG LEU 93 OK 13 99 - 13 - 4510/2.1=2, 4489/3.0=1...(4) QG2 VAL 66 - HG LEU 91 OK 12 74 - 16 - 3677/3.0=2, ~4402=1...(7) QG2 ILE 63 - HG LEU 91 OK 11 89 - 12 - 7138/3.0=2, 4406/2.1=1 QD1 LEU 84 - HG LEU 91 poor 9 88 - 10 - 4406/2.1=1, ~4266=1 QG2 VAL 66 - HG LEU 93 lone 7 87 - 8 - Peak 4497 from cnoeabs.peaks (0.83, 1.49, 26.18 ppm; 3.51 A): 4 out of 18 assignments used, quality = 1.00: * QD1 LEU 93 + HG LEU 93 OK 100 100 - 100 - 2.1=100 QD2 LEU 91 + HG LEU 91 OK 82 82 - 100 - 2.1=100 QD2 LEU 91 + HG LEU 93 OK 69 95 - 73 - 4404=9, 4406/2.1=8...(34) QD1 LEU 93 + HG LEU 91 OK 64 91 - 70 - 4510/2.1=10, 4509=9...(31) HG13 ILE 22 - HG LEU 93 OK 22 98 - 23 - 4490/3.0=2, 2174/2.1=2...(11) QD2 LEU 114 - HG LEU 93 OK 22 76 - 29 - 7948/5.3=4, 5087=4...(14) QD2 LEU 114 - HG LEU 91 OK 20 63 - 32 - 5087=4, 3.1/5066=3...(13) QD1 LEU 59 - HG LEU 93 OK 19 95 - 20 - 4490/3.0=2, ~3415=2...(8) QG1 VAL 115 - HG LEU 93 OK 18 100 - 18 - 7965/3.0=3, 4.0/583=2...(9) HG13 ILE 22 - HG LEU 91 OK 16 87 - 18 - 2174/2.1=3, ~2167=2...(6) QD2 LEU 55 - HG LEU 93 OK 13 85 - 16 - 4.0/7012=2, 4476/4.3=2...(5) HB2 ASN 118 - HG LEU 91 OK 12 88 - 14 - 5178/5.2=2, ~5186=2...(8) QG1 VAL 115 - HG LEU 91 OK 12 91 - 13 - 4.0/583=2, 7965/3.0=1...(4) QD1 ILE 22 - HG LEU 93 OK 12 63 - 18 - 2180/2.1=2, ~8476=2...(8) QD1 LEU 59 - HG LEU 91 poor 10 82 - 12 - 4.6/274=1 HB2 ASN 118 - HG LEU 93 lone 9 99 - 9 - ~5186=1 QD1 ILE 22 - HG LEU 91 poor 9 51 - 17 - ~2174=2, 4412/2.1=2...(7) QD2 LEU 55 - HG LEU 91 lone 7 72 - 10 - 4.0/7012=1 Peak 4498 from cnoeabs.peaks (7.09, 0.76, 24.83 ppm; 3.87 A): 3 out of 15 assignments used, quality = 0.94: * H LEU 93 + QD2 LEU 93 OK 87 100 - 87 - 4.7=55, 4505/2.1=18...(14) H LEU 93 + HG LEU 111 OK 36 85 - 42 - 1235=7, 3.0/4475=5...(13) H LEU 93 + QD2 LEU 111 OK 29 77 - 38 - 1235/2.1=5, 1235=5...(13) HZ PHE 96 - QD2 LEU 93 OK 28 96 - 30 - 4505/2.1=6, 4484/3.1=5...(7) HE ARG 92 - QD2 LEU 93 OK 20 92 - 22 - 4505/2.1=4, 4484/3.1=3...(6) HZ PHE 96 - HG LEU 111 OK 13 77 - 17 - 4731/2.1=3, 3.8/4713=2...(6) QD PHE 83 - QD2 LEU 93 OK 11 78 - 14 - 4505/2.1=2, 4.6/1189=2...(6) HZ PHE 96 - QD2 LEU 111 OK 11 70 - 16 - 4731=2, 2.2/4724=2...(6) QD PHE 40 - QD2 LEU 93 poor 7 63 - 11 - 4505/2.1=1, 4.5/5805=1...(4) QD PHE 40 - HG LEU 111 poor 7 47 - 14 - ~4830=4, 4668/3.0=2, ~7889=1 QD PHE 40 - QD2 LEU 111 poor 6 41 - 14 - ~4830=4, 4668/3.1=2, ~7889=1 QD PHE 83 - HG LEU 111 lone 5 60 - 9 - 4.6/1189=2, 4.6/7466=2 HE ARG 92 - HG LEU 111 lone 4 73 - 5 - QD PHE 83 - QD2 LEU 111 lone 4 53 - 7 - 4.6/1189=2 HE ARG 92 - QD2 LEU 111 lone 3 66 - 5 - Peak 4499 from cnoeabs.peaks (4.38, 0.76, 24.83 ppm; 3.35 A): 3 out of 21 assignments used, quality = 0.96: * HA LEU 93 + QD2 LEU 93 OK 89 100 - 89 - 3.8=71, 4506/2.1=16...(18) HB THR 116 + QD2 LEU 93 OK 51 97 - 53 - 2.1/7989=11, 4506/2.1=10...(14) HA LEU 93 + HG LEU 111 OK 36 85 - 43 - 4475=8, 3.0/4489=4...(18) HA LEU 93 - QD2 LEU 111 OK 31 77 - 40 - 4475=6, 4475/2.1=5...(19) HB THR 116 - HG LEU 111 OK 15 79 - 19 - 2.1/7989=5, 4.2/8002=2...(7) HB THR 116 - QD2 LEU 111 OK 12 71 - 17 - 2.1/7989=4, ~7989=3...(7) HA THR 121 - HG LEU 111 OK 12 45 - 27 - 3.2/8085=5, ~8085=3...(12) HA SER 35 - QD2 LEU 93 OK 11 99 - 11 - 3.0/6290=2, 4506/2.1=2...(5) HA THR 121 - QD2 LEU 93 OK 11 60 - 18 - 3.2/8085=5, 4506/2.1=2...(6) HA THR 121 - QD2 LEU 111 OK 10 39 - 26 - 3.2/8085=6, ~8085=3...(12) HA SER 35 - HG LEU 111 poor 9 83 - 11 - 3.0/6290=3, ~7900=1...(5) HA GLN 105 - QD2 LEU 93 lone 9 100 - 9 - 4506/2.1=2, 4485/3.1=2...(4) HA SER 35 - QD2 LEU 111 lone 7 75 - 10 - ~6290=1, ~7900=1...(5) HA MET 11 - QD2 LEU 93 lone 3 90 - 3 - HA CYS 76 - QD2 LEU 93 lone 2 71 - 3 - HA GLN 105 - HG LEU 111 lone 2 85 - 2 - HA GLN 105 - QD2 LEU 111 lone 1 77 - 2 - HA CYS 76 - HG LEU 111 lone 1 54 - 2 - HA CYS 76 - QD2 LEU 111 lone 1 47 - 2 - HA MET 11 - HG LEU 111 lone 1 71 - 1 - HA MET 11 - QD2 LEU 111 lone 1 64 - 1 - Peak 4500 from cnoeabs.peaks (1.47, 0.76, 24.83 ppm; 3.03 A): 3 out of 51 assignments used, quality = 0.99: * HB2 LEU 93 + QD2 LEU 93 OK 94 100 - 94 - 3.1=89, 4507/2.1=9...(13) HG LEU 93 + QD2 LEU 93 OK 65 65 - 100 - 2.1=100 QB ALA 14 + HG LEU 111 OK 45 85 - 53 - 6305=10, 2.1/6298=9...(13) QB ALA 14 - QD2 LEU 111 OK 40 77 - 52 - 6305=9, 6305/2.1=8...(14) HG LEU 91 - QD2 LEU 93 OK 40 73 - 54 - 2.1/4406=7, 3.0/4385=4...(29) HB2 LEU 93 - HG LEU 111 OK 35 85 - 41 - 1.8/4489=4, 3.1/4510=4...(16) HB2 LEU 93 - QD2 LEU 111 OK 30 77 - 39 - 4482/2.1=3, 4480/3.1=3...(17) HG LEU 91 - HG LEU 111 OK 21 56 - 37 - 2.1/4406=5, 3.0/4385=3...(22) HG3 LYS 31 - QD2 LEU 93 OK 20 100 - 20 - 2439/3.1=3, 4507/2.1=2...(10) HG LEU 91 - QD2 LEU 111 OK 18 49 - 36 - 2.1/4406=4, 3.0/4385=3...(22) HG LEU 93 - HG LEU 111 OK 18 49 - 36 - 2.1/4510=5, 3.0/4489=3...(18) HB3 LEU 58 - QD2 LEU 93 OK 18 78 - 23 - 8306/3.1=2, 4507/2.1=2...(7) HG LEU 93 - QD2 LEU 111 OK 15 43 - 34 - 2.1/4510=4, 3.0/4489=2...(17) QB ALA 14 - QD2 LEU 93 OK 14 100 - 14 - 6305=3, 2.1/6298=2...(5) QB ALA 89 - QD2 LEU 93 poor 10 71 - 14 - 3.6/7569=3, ~8528=2...(4) HG2 LYS 119 - QD2 LEU 93 lone 9 100 - 9 - 4507/2.1=1 HG LEU 24 - QD2 LEU 93 lone 7 92 - 8 - 2217/2.1=1 HG2 LYS 119 - HG LEU 111 lone 7 84 - 8 - ~8166=1 HB3 LEU 101 - QD2 LEU 93 lone 6 68 - 9 - ~7713=1 HD2 LYS 65 - QD2 LEU 93 lone 6 78 - 8 - HD3 LYS 65 - QD2 LEU 93 lone 6 78 - 8 - HB3 LEU 58 - HG LEU 111 poor 6 60 - 10 - HG2 LYS 119 - QD2 LEU 111 lone 6 76 - 8 - ~8166=1 HG3 LYS 31 - HG LEU 111 lone 5 85 - 6 - HB3 LEU 58 - QD2 LEU 111 lone 5 53 - 9 - HG LEU 24 - HG LEU 111 lone 5 73 - 6 - 2218/3.0=1 HG3 LYS 31 - QD2 LEU 111 lone 4 77 - 5 - HG LEU 24 - QD2 LEU 111 lone 4 66 - 6 - 2218/3.1=1 HG3 ARG 57 - QD2 LEU 93 lone 4 100 - 4 - HD2 LYS 46 - QD2 LEU 93 lone 4 99 - 3 - HG2 LYS 109 - QD2 LEU 93 lone 3 92 - 3 - HB3 GLU 75 - HG LEU 111 lone 3 73 - 4 - HD2 LYS 46 - HG LEU 111 lone 3 83 - 4 - HG3 ARG 57 - HG LEU 111 lone 3 85 - 3 - QB ALA 89 - HG LEU 111 lone 3 54 - 5 - 3.6/7569=1 HD2 LYS 46 - QD2 LEU 111 lone 3 75 - 3 - HB3 GLU 75 - QD2 LEU 111 lone 3 66 - 4 - HB3 GLU 75 - QD2 LEU 93 lone 2 92 - 3 - HB3 LEU 45 - QD2 LEU 93 lone 2 92 - 3 - HG3 ARG 57 - QD2 LEU 111 lone 2 77 - 3 - HD3 LYS 65 - HG LEU 111 lone 2 60 - 3 - HD2 LYS 65 - HG LEU 111 lone 2 60 - 3 - HB3 LEU 101 - HG LEU 111 lone 2 51 - 4 - QB ALA 89 - QD2 LEU 111 lone 2 47 - 4 - HB3 LEU 101 - QD2 LEU 111 lone 2 45 - 4 - HG2 LYS 109 - HG LEU 111 lone 2 73 - 2 - HG2 LYS 109 - QD2 LEU 111 lone 1 66 - 2 - HB3 LEU 45 - HG LEU 111 lone 1 73 - 2 - HB3 LEU 45 - QD2 LEU 111 lone 1 66 - 2 - HD3 LYS 65 - QD2 LEU 111 lone 1 53 - 2 - HD2 LYS 65 - QD2 LEU 111 lone 1 53 - 2 - Peak 4501 from cnoeabs.peaks (1.38, 0.76, 24.83 ppm; 3.29 A): 3 out of 21 assignments used, quality = 1.00: * HB3 LEU 93 + QD2 LEU 93 OK 100 100 - 100 - 3.1=100 HB2 LEU 111 + HG LEU 111 OK 83 83 - 100 - 3.0=100 HB2 LEU 111 + QD2 LEU 111 OK 75 75 - 100 - 3.1=100 HB2 LEU 111 - QD2 LEU 93 OK 43 99 - 43 - 4508/2.1=7, 5001=6...(19) HB3 LEU 93 - HG LEU 111 OK 42 85 - 50 - 4489=5, 3.1/4510=4...(22) HB3 LEU 93 - QD2 LEU 111 OK 36 77 - 47 - 4489/2.1=5, 4489=4...(21) QG2 THR 121 - QD2 LEU 93 OK 31 99 - 31 - 8085=10, 4508/2.1=4...(8) QG2 THR 121 - HG LEU 111 OK 28 83 - 34 - 8085=11, 8085/2.1=8...(9) HB VAL 110 - HG LEU 111 OK 28 79 - 36 - 5877/5.3=6, ~8164=6...(11) HG2 LYS 31 - QD2 LEU 93 OK 25 96 - 27 - 4508/2.1=3, 2430/3.1=3...(13) QG2 THR 121 - QD2 LEU 111 OK 25 75 - 33 - 8085=11, 8085/2.1=8...(7) HB VAL 110 - QD2 LEU 111 OK 25 71 - 35 - 5877/4.7=7, ~8164=6...(10) HB2 LEU 27 - QD2 LEU 93 OK 18 93 - 19 - 4508/2.1=3, 4473/3.8=1...(7) HG LEU 59 - QD2 LEU 93 OK 14 85 - 17 - 4508/2.1=3, 4494/2.1=1...(6) HB VAL 110 - QD2 LEU 93 OK 14 97 - 15 - ~7874=2, 4508/2.1=2...(7) HB2 LEU 27 - HG LEU 111 poor 10 75 - 13 - 5006/3.0=1 HB2 LEU 27 - QD2 LEU 111 poor 8 67 - 12 - 5006/3.1=1, 4992/4.0=1 HG2 LYS 31 - HG LEU 111 lone 6 77 - 7 - HG2 LYS 31 - QD2 LEU 111 lone 5 70 - 7 - HG LEU 59 - HG LEU 111 lone 4 66 - 6 - HG LEU 59 - QD2 LEU 111 lone 3 59 - 5 - Peak 4502 from cnoeabs.peaks (1.49, 0.76, 24.83 ppm; 3.10 A): 3 out of 39 assignments used, quality = 1.00: * HG LEU 93 + QD2 LEU 93 OK 100 100 - 100 - 2.1=100 HB2 LEU 93 + QD2 LEU 93 OK 64 65 - 98 - 3.1=96, ~4508=8...(13) HG LEU 91 + QD2 LEU 93 OK 59 100 - 59 - 2.1/4406=7, 4509/2.1=6...(29) HG LEU 93 - HG LEU 111 OK 36 85 - 42 - 2.1/4510=5, 4496=4...(21) HG LEU 91 - HG LEU 111 OK 36 85 - 42 - 2.1/4406=5, 4399=3...(25) HG LEU 91 - QD2 LEU 111 OK 32 77 - 41 - 2.1/4406=5, 4399=3...(24) HG LEU 93 - QD2 LEU 111 OK 31 77 - 40 - 2.1/4510=4, 4496=3...(19) HB3 LEU 58 - QD2 LEU 93 OK 25 100 - 25 - 8306/3.1=3, 4509/2.1=2...(8) QB ALA 14 - HG LEU 111 OK 24 49 - 49 - 2.1/6298=9, 6305=7...(13) QB ALA 14 - QD2 LEU 111 OK 21 43 - 48 - 2.1/6298=7, ~7902=7...(13) HB2 LEU 93 - HG LEU 111 OK 20 49 - 40 - 1.8/4489=4, 3.1/4510=4...(17) HB3 LEU 114 - HG LEU 111 OK 19 82 - 23 - 5076/2.1=3, 6222/4.3=3...(9) HB3 LEU 114 - QD2 LEU 93 OK 17 99 - 18 - 5075/2.1=2, ~5066=1...(6) HB3 LEU 114 - QD2 LEU 111 OK 17 74 - 23 - 6222/4.0=3, 5076=2...(11) HB2 LEU 93 - QD2 LEU 111 OK 17 43 - 38 - 1.8/4489=3, ~5020=3...(18) HG3 ARG 92 - QD2 LEU 93 OK 11 90 - 12 - 455/4.7=2, 4.9/449=1...(5) HG3 LYS 31 - QD2 LEU 93 OK 11 60 - 18 - ~4508=2, 2439/3.1=2...(10) HG2 ARG 92 - QD2 LEU 93 OK 11 87 - 12 - 455/4.7=2, 4.9/449=1...(5) HB3 LEU 58 - HG LEU 111 OK 11 84 - 13 - 6222/4.3=1, 8306/3.0=1 HB3 LEU 58 - QD2 LEU 111 poor 9 76 - 12 - 6222/4.0=1, 8306/3.1=1 HB2 LEU 24 - QD2 LEU 93 lone 8 93 - 8 - QB ALA 14 - QD2 LEU 93 poor 8 65 - 12 - 2.1/6298=3, 6305=2...(4) HB2 LEU 24 - HG LEU 111 lone 6 75 - 9 - 2204/3.0=1, ~5021=1 HG2 ARG 85 - QD2 LEU 93 lone 6 99 - 6 - 5.0/417=1 HB2 LEU 24 - QD2 LEU 111 lone 6 67 - 8 - ~5021=1, 2204/3.1=1 HG2 LYS 109 - QD2 LEU 93 lone 3 96 - 3 - HG2 ARG 85 - HG LEU 111 lone 3 83 - 4 - 5.0/417=1 HG2 ARG 85 - QD2 LEU 111 lone 3 75 - 4 - HG3 LYS 31 - HG LEU 111 lone 2 45 - 5 - HG3 ARG 92 - HG LEU 111 lone 2 71 - 3 - HG2 ARG 92 - HG LEU 111 lone 2 68 - 3 - HG2 LYS 109 - HG LEU 111 lone 2 77 - 2 - HG3 LYS 31 - QD2 LEU 111 lone 2 39 - 5 - HG3 ARG 92 - QD2 LEU 111 lone 2 64 - 3 - HG3 ARG 57 - QD2 LEU 93 lone 2 71 - 3 - HG2 ARG 92 - QD2 LEU 111 lone 2 61 - 3 - HG2 LYS 109 - QD2 LEU 111 lone 2 70 - 2 - HG3 ARG 57 - HG LEU 111 lone 1 54 - 2 - HG3 ARG 57 - QD2 LEU 111 lone 1 47 - 2 - Peak 4503 from cnoeabs.peaks (0.76, 0.76, 24.83 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 93 + QD2 LEU 93 OK 100 100 - 100 HG LEU 111 + HG LEU 111 OK 84 84 - 100 QD2 LEU 111 + QD2 LEU 111 OK 53 53 - 100 Peak 4504 from cnoeabs.peaks (0.83, 0.76, 24.83 ppm; 2.58 A): 2 out of 27 assignments used, quality = 1.00: * QD1 LEU 93 + QD2 LEU 93 OK 100 100 - 100 - 2.1=100 QD2 LEU 91 + QD2 LEU 93 OK 48 95 - 51 - 4406=8, 4404/2.1=4...(26) QD1 LEU 93 - HG LEU 111 OK 28 85 - 33 - 4510=7, 4508/3.0=3...(9) QD1 LEU 93 - QD2 LEU 111 OK 24 77 - 31 - 4510=5, 4510/2.1=4...(10) QD2 LEU 91 - HG LEU 111 OK 23 76 - 30 - 4406=6, 4406/2.1=3...(7) QD2 LEU 91 - QD2 LEU 111 OK 20 68 - 30 - 4406=5, 4406/2.1=3...(8) QG1 VAL 115 - HG LEU 111 OK 14 85 - 16 - ~7978=3, 5900/4.9=2...(5) HG13 ILE 22 - HG LEU 111 OK 14 81 - 17 - 2174/2.1=3, ~6443=2...(8) HG13 ILE 22 - QD2 LEU 93 OK 13 98 - 13 - 2174/2.1=1, 4490/3.1=1 HG13 ILE 22 - QD2 LEU 111 OK 12 73 - 16 - 2174/2.1=3, ~2167=2...(8) QG1 VAL 115 - QD2 LEU 111 OK 11 77 - 15 - ~7978=2, 5109/4.0=2...(4) QD2 LEU 114 - QD2 LEU 93 OK 11 76 - 14 - 7948/4.7=2, 5087/2.1=2 QD1 LEU 59 - QD2 LEU 93 OK 11 95 - 11 - QG1 VAL 115 - QD2 LEU 93 lone 10 100 - 10 - 7965/3.1=1 QD2 LEU 114 - HG LEU 111 poor 9 58 - 15 - 5090/2.1=2, 7945/4.3=1, 5090=1 QD2 LEU 55 - QD2 LEU 93 lone 8 85 - 10 - QD2 LEU 114 - QD2 LEU 111 poor 8 51 - 15 - 5090=2, 7945/4.0=1, 5090/2.1=1 QD1 ILE 22 - QD2 LEU 93 poor 7 63 - 11 - 2180/2.1=1 QD1 ILE 22 - HG LEU 111 poor 6 47 - 13 - 6443/3.0=2, ~2167=2...(4) QD1 ILE 22 - QD2 LEU 111 poor 5 41 - 13 - 6443/3.1=2, ~2167=2...(5) HB2 ASN 118 - QD2 LEU 93 lone 5 99 - 5 - HB2 ASN 118 - HG LEU 111 lone 4 83 - 5 - 6245/4.3=2 HB2 ASN 118 - QD2 LEU 111 lone 4 75 - 5 - 6245/4.0=2 QD1 LEU 59 - HG LEU 111 lone 3 76 - 4 - QD2 LEU 55 - HG LEU 111 lone 3 66 - 4 - QD1 LEU 59 - QD2 LEU 111 lone 3 68 - 4 - QD2 LEU 55 - QD2 LEU 111 lone 2 59 - 4 - Peak 4505 from cnoeabs.peaks (7.09, 0.83, 25.26 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.95: * H LEU 93 + QD1 LEU 93 OK 92 100 - 92 - 4.7=67, 3.0/4506=18...(20) HZ PHE 96 + QD1 LEU 93 OK 34 96 - 35 - 4730=6, 4484/3.1=5...(9) HE ARG 92 - QD1 LEU 93 OK 23 92 - 25 - 4484/3.1=4, 6.9/8528=3...(8) QD PHE 83 - QD1 LEU 93 OK 11 78 - 14 - 3.7/8354=2, 4498/2.1=2...(7) QD PHE 40 - QD1 LEU 93 poor 8 63 - 12 - 4.5/5806=2, 4484/3.1=1...(4) Peak 4506 from cnoeabs.peaks (4.38, 0.83, 25.26 ppm; 3.45 A): 2 out of 7 assignments used, quality = 0.97: * HA LEU 93 + QD1 LEU 93 OK 92 100 - 92 - 3.8=77, 3.0/4508=14...(20) HB THR 116 + QD1 LEU 93 OK 58 97 - 60 - 2.1/8377=19, 7985=9...(18) HA THR 121 - QD1 LEU 93 OK 12 60 - 20 - 3.2/4508=3, ~8085=3...(8) HA SER 35 - QD1 LEU 93 OK 11 99 - 11 - 4485/3.1=1, ~6290=1...(6) HA GLN 105 - QD1 LEU 93 lone 10 100 - 10 - 4485/3.1=2, 4478/3.1=1 HA MET 11 - QD1 LEU 93 lone 3 90 - 4 - HA CYS 76 - QD1 LEU 93 lone 2 71 - 3 - Peak 4507 from cnoeabs.peaks (1.47, 0.83, 25.26 ppm; 2.95 A): 2 out of 17 assignments used, quality = 0.97: * HB2 LEU 93 + QD1 LEU 93 OK 92 100 - 92 - 3.1=83, 1.8/4508=15...(13) HG LEU 93 + QD1 LEU 93 OK 65 65 - 100 - 2.1=100 HG LEU 91 - QD1 LEU 93 OK 40 73 - 54 - 2.1/4510=8, 3.0/4391=5...(32) HG3 LYS 31 - QD1 LEU 93 OK 21 100 - 21 - 1.8/4508=3, 2439/3.1=2...(6) HB3 LEU 58 - QD1 LEU 93 OK 17 78 - 22 - 8306/3.1=2, 3.1/8420=2...(6) QB ALA 89 - QD1 LEU 93 OK 15 71 - 22 - 4.9/8525=4, 3.6/7568=3...(6) QB ALA 14 - QD1 LEU 93 OK 13 100 - 13 - 6305/2.1=2, 2.1/7607=2, ~6298=1 HG2 LYS 119 - QD1 LEU 93 OK 12 100 - 12 - 2.9/8030=1 HG LEU 24 - QD1 LEU 93 lone 7 92 - 7 - 2217/2.1=1 HB3 LEU 101 - QD1 LEU 93 lone 6 68 - 9 - 3.1/7713=2 HD2 LYS 65 - QD1 LEU 93 lone 4 78 - 6 - HD3 LYS 65 - QD1 LEU 93 lone 4 78 - 6 - HD2 LYS 46 - QD1 LEU 93 lone 3 99 - 3 - HG3 ARG 57 - QD1 LEU 93 lone 3 100 - 3 - HG2 LYS 109 - QD1 LEU 93 lone 3 92 - 3 - HB3 GLU 75 - QD1 LEU 93 lone 2 92 - 3 - HB3 LEU 45 - QD1 LEU 93 lone 2 92 - 2 - Peak 4508 from cnoeabs.peaks (1.38, 0.83, 25.26 ppm; 2.85 A): 3 out of 7 assignments used, quality = 0.93: * HB3 LEU 93 + QD1 LEU 93 OK 86 100 - 86 - 3.1=75, 1.8/4507=9...(14) HB2 LEU 111 + QD1 LEU 93 OK 34 99 - 34 - 3.0/4510=3, 5001/2.1=3...(13) QG2 THR 121 + QD1 LEU 93 OK 22 99 - 22 - 8085/2.1=6, 8087/8378=2...(7) HG2 LYS 31 - QD1 LEU 93 OK 17 96 - 18 - 2430/3.1=2, 1.8/4507=2...(5) HB2 LEU 27 - QD1 LEU 93 OK 14 93 - 15 - 3.0/8619=1, 8482=1...(6) HG LEU 59 - QD1 LEU 93 OK 14 85 - 16 - 3415=3, 3.0/3408=1...(4) HB VAL 110 - QD1 LEU 93 lone 9 97 - 10 - 2.1/7874=2 Peak 4509 from cnoeabs.peaks (1.49, 0.83, 25.26 ppm; 2.97 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 93 + QD1 LEU 93 OK 100 100 - 100 - 2.1=100 HB2 LEU 93 + QD1 LEU 93 OK 60 65 - 92 - 3.1=85, 1.8/4508=15...(12) HG LEU 91 + QD1 LEU 93 OK 57 100 - 57 - 2.1/4510=8, 3.0/4391=5...(32) HB3 LEU 58 - QD1 LEU 93 OK 23 100 - 23 - 8306/3.1=2, 3.1/8420=2...(7) HB3 LEU 114 - QD1 LEU 93 OK 19 99 - 19 - 4.0/8528=2, 5075=2...(7) HG3 ARG 92 - QD1 LEU 93 OK 11 90 - 13 - 4.9/8528=3, 455/4.7=2...(4) HG3 LYS 31 - QD1 LEU 93 OK 11 60 - 18 - 1.8/4508=3, 2439/3.1=1...(6) HG2 ARG 92 - QD1 LEU 93 OK 11 87 - 12 - 4.9/8528=3, 455/4.7=2...(4) HB2 LEU 24 - QD1 LEU 93 lone 7 93 - 7 - QB ALA 14 - QD1 LEU 93 poor 7 65 - 10 - 2.1/7607=2, 6305/2.1=1, ~6298=1 HG2 ARG 85 - QD1 LEU 93 lone 6 99 - 6 - 5.0/5806=2 HG2 LYS 109 - QD1 LEU 93 lone 3 96 - 3 - HG3 ARG 57 - QD1 LEU 93 lone 1 71 - 2 - Peak 4510 from cnoeabs.peaks (0.76, 0.83, 25.26 ppm; 2.50 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 93 + QD1 LEU 93 OK 100 100 - 100 - 2.1=100 QD1 LEU 91 + QD1 LEU 93 OK 48 97 - 50 - 4412=9, 2.1/4509=4...(23) HG LEU 111 - QD1 LEU 93 OK 30 100 - 30 - 4504=3, 3.0/4508=3...(7) QD2 LEU 111 - QD1 LEU 93 OK 22 78 - 28 - 3.1/4508=3, 4504=3...(7) QD1 LEU 84 - QD1 LEU 93 OK 10 99 - 11 - 7481/4.7=1 QG2 ILE 63 - QD1 LEU 93 lone 9 99 - 9 - QG2 VAL 66 - QD1 LEU 93 lone 5 87 - 6 - Peak 4511 from cnoeabs.peaks (0.83, 0.83, 25.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 93 + QD1 LEU 93 OK 100 100 - 100 Peak 4512 from cnoeabs.peaks (8.54, 4.27, 56.38 ppm; 3.77 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 94 + HA GLU 94 OK 100 100 - 100 - 3.0=100 H GLU 94 - HA LEU 58 OK 16 69 - 24 - 1238=5, 462/3.0=3...(8) H GLU 38 - HA GLU 94 OK 14 85 - 17 - 4524/2.9=2, 4518/2.9=2...(10) H ARG 53 - HA GLU 94 OK 14 100 - 14 - 465/3.6=3, 4518/2.9=2...(6) H LEU 41 - HA GLU 94 OK 11 100 - 10 - 4518/2.9=2, 4524/2.9=2...(5) H GLY 86 - HA GLU 94 lone 8 83 - 9 - 465/3.6=2, 421/2.9=1 H GLU 38 - HA LEU 58 lone 2 52 - 5 - ~7069=2 H GLY 86 - HA LEU 58 lone 2 50 - 3 - H ARG 53 - HA LEU 58 lone 1 68 - 2 - H LEU 41 - HA LEU 58 lone 1 69 - 1 - Peak 4513 from cnoeabs.peaks (4.27, 4.27, 56.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 94 + HA GLU 94 OK 100 100 - 100 HA LEU 58 + HA LEU 58 OK 53 53 - 100 Peak 4514 from cnoeabs.peaks (2.00, 4.27, 56.38 ppm; 3.41 A): 1 out of 28 assignments used, quality = 1.00: * HB2 GLU 94 + HA GLU 94 OK 100 100 - 100 - 2.9=100 HB3 PRO 68 - HA GLU 94 OK 20 92 - 22 - 4526/2.9=2, 1.8/4516=2...(8) HB3 GLN 103 - HA GLU 94 OK 19 92 - 21 - 4733=3, 1.8/4725=3...(8) HG2 PRO 68 - HA GLU 94 OK 16 87 - 19 - 4526/2.9=2, 2.3/4516=2...(6) HB2 LEU 55 - HA LEU 58 OK 14 68 - 20 - ~8639=3, ~8573=2...(11) HG LEU 114 - HA GLU 94 OK 13 87 - 15 - 1239/3.0=2, 2.1/5085=2...(6) HB2 LEU 41 - HA GLU 94 OK 12 92 - 13 - 1239/3.0=3, ~2791=1, 4.1/4512=1 HB2 GLU 94 - HA LEU 58 OK 11 69 - 16 - 4519=3, 1.8/4525=2...(5) HB3 ARG 53 - HA GLU 94 OK 10 71 - 14 - 1239/3.0=2, 4519=2...(5) HB2 LEU 55 - HA GLU 94 lone 7 100 - 7 - 1239/3.0=2 HB ILE 124 - HA GLU 94 lone 6 92 - 6 - ~7614=2, 1239/3.0=1 HB3 GLN 103 - HA LEU 58 lone 5 58 - 9 - 4733=1 HG LEU 114 - HA LEU 58 lone 5 53 - 9 - ~7052=2, ~7056=1 HB2 LYS 46 - HA GLU 94 lone 4 100 - 4 - HB2 LYS 46 - HA LEU 58 lone 4 69 - 5 - 8596/3.6=1 HG2 PRO 60 - HA GLU 94 lone 3 100 - 3 - HB2 MET 11 - HA GLU 94 lone 3 96 - 3 - HB2 MET 11 - HA LEU 58 lone 3 62 - 4 - HB3 PRO 68 - HA LEU 58 lone 2 58 - 4 - HG2 PRO 68 - HA LEU 58 lone 2 53 - 3 - HG LEU 45 - HA GLU 94 lone 1 68 - 2 - HG2 PRO 60 - HA LEU 58 lone 1 68 - 2 - HB ILE 124 - HA LEU 58 lone 1 58 - 2 - HG LEU 45 - HA LEU 58 lone 1 40 - 3 - HB2 LEU 41 - HA LEU 58 lone 1 58 - 2 - HB2 ARG 71 - HA GLU 94 lone 1 73 - 1 - HB3 ARG 53 - HA LEU 58 lone 1 41 - 1 - HB2 ARG 71 - HA LEU 58 lone 0 43 - 1 - Peak 4515 from cnoeabs.peaks (1.95, 4.27, 56.38 ppm; 3.23 A): 1 out of 40 assignments used, quality = 1.00: * HB3 GLU 94 + HA GLU 94 OK 100 100 - 100 - 2.9=100 HG LEU 58 - HA LEU 58 OK 32 48 - 66 - 4.3=43, 2.1/3376=10...(12) HB2 LYS 109 - HA LEU 58 OK 21 56 - 37 - 4893/3.0=5, 4894/3.0=4...(20) HB2 ARG 85 - HA GLU 94 OK 18 99 - 18 - 1240/3.0=2, 4525=2...(6) HB3 ARG 85 - HA GLU 94 OK 18 99 - 18 - 1240/3.0=2, 4525=2...(6) HB2 GLU 64 - HA GLU 94 OK 16 90 - 18 - 3547=2, 1.8/3547=2...(7) HB2 GLU 38 - HA GLU 94 OK 16 96 - 17 - 1240/3.0=2, 4521/2.9=1...(6) HB3 GLU 64 - HA GLU 94 OK 16 87 - 18 - 3547=2, 1.8/3547=2...(7) HB3 LYS 119 - HA LEU 58 OK 13 64 - 21 - 5916/3.6=3, 1049/3.0=2...(9) HG LEU 58 - HA GLU 94 OK 13 81 - 16 - 2.1/3376=2, 3.0/3355=2...(8) HB2 GLU 64 - HA LEU 58 OK 11 56 - 20 - 3547=3, 1.8/3553=2...(7) HG2 PRO 68 - HA GLU 94 OK 11 68 - 16 - 2.3/4514=2, 2.3/4516=2 HB3 GLU 64 - HA LEU 58 OK 11 53 - 20 - 3547=3, 1.8/3553=2...(7) HB3 PRO 68 - HA GLU 94 OK 10 60 - 17 - 1.8/4516=2, 2.3/4514=2...(5) HB3 GLU 94 - HA LEU 58 poor 10 69 - 14 - 4525=2, 1.8/4519=2...(5) HB3 GLN 103 - HA GLU 94 poor 10 60 - 16 - 1.8/4725=2, 3.0/4749=2...(5) HG LEU 114 - HA GLU 94 poor 8 68 - 12 - 2.1/5085=2, ~464=1...(4) HB2 LEU 21 - HA LEU 58 poor 6 38 - 16 - ~7054=3, ~7053=2...(5) HB2 ARG 85 - HA LEU 58 lone 6 67 - 9 - HB3 ARG 85 - HA LEU 58 lone 6 67 - 9 - HB2 LEU 41 - HA GLU 94 lone 6 60 - 9 - 1240/3.0=1, ~2791=1 HB2 GLU 38 - HA LEU 58 lone 4 62 - 7 - ~7069=1, ~5639=1 HG LEU 114 - HA LEU 58 lone 3 40 - 7 - ~7052=2, ~7056=1 HB3 PRO 30 - HA LEU 58 lone 3 67 - 4 - HB ILE 124 - HA GLU 94 lone 3 60 - 4 - ~7614=1 HB3 GLN 103 - HA LEU 58 lone 2 34 - 7 - HB3 LYS 119 - HA GLU 94 lone 2 97 - 2 - HB2 LYS 109 - HA GLU 94 lone 2 90 - 2 - HB3 PRO 30 - HA GLU 94 lone 2 99 - 2 - HG LEU 45 - HA GLU 94 lone 2 87 - 2 - HB3 GLU 69 - HA GLU 94 lone 2 97 - 2 - HB3 GLU 69 - HA LEU 58 lone 2 64 - 3 - HG LEU 45 - HA LEU 58 lone 1 53 - 2 - HG2 PRO 68 - HA LEU 58 lone 1 40 - 3 - HB3 PRO 68 - HA LEU 58 lone 1 34 - 3 - HB2 ARG 71 - HA GLU 94 lone 1 83 - 1 - HB2 LEU 21 - HA GLU 94 lone 1 65 - 1 - HB ILE 124 - HA LEU 58 lone 1 34 - 2 - HB2 LEU 41 - HA LEU 58 lone 0 34 - 1 - HB2 ARG 71 - HA LEU 58 lone 0 50 - 0 - Peak 4516 from cnoeabs.peaks (2.24, 4.27, 56.38 ppm; 3.92 A): 2 out of 28 assignments used, quality = 0.98: * HG2 GLU 94 + HA GLU 94 OK 96 100 - 96 - 4.2=84, 5.0/5807=17...(19) HG3 GLU 94 + HA GLU 94 OK 54 57 - 95 - 4.2=84, 5.0/5807=17...(21) HB2 PRO 68 - HA GLU 94 OK 24 100 - 25 - 1.8/4514=3, 4522/2.9=3...(8) HG2 GLU 38 - HA GLU 94 OK 24 100 - 24 - 1241/3.0=3, 4522/2.9=2...(12) HG3 GLU 38 - HA GLU 94 OK 24 100 - 24 - 1241/3.0=3, 4522/2.9=2...(12) HG3 GLU 64 - HA GLU 94 OK 18 100 - 18 - 1.8/3559=2, 3565=2...(9) HB3 LEU 117 - HA LEU 58 OK 15 67 - 22 - 5144/3.6=5, 5907/3.0=4...(10) HG3 GLU 64 - HA LEU 58 OK 11 69 - 16 - 5.0/1074=2, 1.8/3559=2...(6) HG2 GLU 94 - HA LEU 58 poor 10 69 - 14 - 3.0/4519=2, 4.9/1238=2...(6) HG3 GLU 28 - HA GLU 94 lone 8 99 - 8 - HG2 GLU 28 - HA GLU 94 lone 8 98 - 8 - HB3 PRO 37 - HA GLU 94 lone 6 73 - 9 - 3.9/4512=2, ~6002=1 HB3 LEU 117 - HA GLU 94 lone 6 99 - 6 - HB2 PRO 70 - HA GLU 94 lone 5 100 - 5 - HG3 GLU 94 - HA LEU 58 poor 4 32 - 13 - 3.0/4519=2, 4.9/1238=2...(6) HG2 GLU 38 - HA LEU 58 lone 4 69 - 6 - ~5639=1 HG3 GLU 38 - HA LEU 58 lone 4 69 - 6 - ~5639=1 HB2 PRO 68 - HA LEU 58 lone 4 68 - 5 - HG3 GLU 28 - HA LEU 58 lone 3 66 - 5 - HG2 GLU 28 - HA LEU 58 lone 3 65 - 5 - HB2 CYS 87 - HA GLU 94 lone 3 57 - 6 - 1242/3.0=3, 470/3.6=2 HG2 GLU 56 - HA GLU 94 lone 3 99 - 3 - HG2 GLU 56 - HA LEU 58 lone 2 66 - 3 - ~266=1 HB3 PRO 37 - HA LEU 58 lone 2 43 - 5 - HG3 GLU 15 - HA GLU 94 lone 2 96 - 2 - HB2 CYS 87 - HA LEU 58 lone 2 32 - 5 - ~7069=2, ~6165=1 HB2 PRO 70 - HA LEU 58 lone 1 68 - 2 - HG3 GLU 15 - HA LEU 58 lone 1 62 - 2 - Peak 4517 from cnoeabs.peaks (2.27, 4.27, 56.38 ppm; 3.69 A): 2 out of 22 assignments used, quality = 0.96: * HG3 GLU 94 + HA GLU 94 OK 91 100 - 91 - 4.2=70, 4529/2.9=16...(21) HG2 GLU 94 + HA GLU 94 OK 51 57 - 90 - 4.2=70, 1.8/4537=15...(19) HG3 GLU 38 - HA GLU 94 OK 12 63 - 19 - 1242/3.0=2, ~1241=1...(9) HG2 GLU 38 - HA GLU 94 OK 12 60 - 19 - 1242/3.0=2, ~1241=1...(9) HB2 CYS 87 - HA GLU 94 lone 9 100 - 9 - 1242/3.0=4, 470/3.6=2 HG3 GLU 94 - HA LEU 58 poor 9 69 - 13 - 4537=2, 3.0/4519=2...(6) HB VAL 120 - HA LEU 58 poor 5 34 - 14 - ~7057=2, ~8573=2...(8) HG3 GLN 105 - HA GLU 94 lone 5 95 - 5 - 1242/3.0=1 HG2 GLN 105 - HA GLU 94 lone 5 93 - 5 - 1242/3.0=1 HB2 CYS 87 - HA LEU 58 lone 4 69 - 6 - ~7069=1, 7519/3.0=1, ~6165=1 HG2 GLU 94 - HA LEU 58 poor 4 32 - 12 - 3.0/4519=2, 1.8/4537=2...(6) HB2 PRO 70 - HA GLU 94 lone 2 71 - 3 - HG3 GLU 38 - HA LEU 58 lone 2 36 - 5 - ~5639=1 HG2 GLU 56 - HA GLU 94 lone 2 76 - 2 - HG2 GLU 38 - HA LEU 58 lone 2 34 - 5 - ~5639=1 HG3 GLU 15 - HA GLU 94 lone 2 87 - 2 - HB VAL 120 - HA GLU 94 lone 1 60 - 2 - 1242/3.0=1 HG2 GLU 56 - HA LEU 58 lone 1 45 - 3 - HG3 GLN 105 - HA LEU 58 lone 1 61 - 1 - HG2 GLN 105 - HA LEU 58 lone 1 59 - 1 - HG3 GLU 15 - HA LEU 58 lone 1 53 - 1 - HB2 PRO 70 - HA LEU 58 lone 1 41 - 1 - Peak 4518 from cnoeabs.peaks (8.54, 2.00, 29.56 ppm; 3.21 A): 7 out of 10 assignments used, quality = 0.92: * H GLU 94 + HB2 GLU 94 OK 71 100 - 71 - 4.0=50, 1240/1.8=14...(12) H ARG 53 + HB3 ARG 53 OK 42 55 - 76 - 4.0=53, 3129/1.8=12...(12) H LEU 41 + HB3 ARG 53 OK 16 56 - 29 - 3129/1.8=5, 946/3.0=5...(10) H ARG 53 + HB2 GLU 94 OK 13 100 - 13 - 4524/1.8=2, 4512/2.9=2...(5) H GLU 38 + HB2 GLU 94 OK 13 85 - 15 - 3.0/6005=3, 4524/1.8=2...(6) H LEU 41 + HB2 GLU 94 OK 12 100 - 12 - 944=2, 4524/1.8=2, 4512/2.9=1 H GLU 94 + HB3 ARG 53 OK 10 56 - 18 - 1239=4, 3129/1.8=3...(8) H GLY 86 - HB3 ARG 53 poor 9 40 - 22 - 3129/1.8=4, 3121/3.0=3...(8) H GLY 86 - HB2 GLU 94 lone 6 83 - 7 - 4524/1.8=1 H GLU 38 - HB3 ARG 53 lone 4 41 - 10 - 3121/3.0=2, 3129/1.8=2 Peak 4519 from cnoeabs.peaks (4.27, 2.00, 29.56 ppm; 3.41 A): 1 out of 24 assignments used, quality = 1.00: * HA GLU 94 + HB2 GLU 94 OK 100 100 - 100 - 2.9=100 HA GLN 103 - HB2 GLU 94 OK 20 100 - 20 - 4719=3, 4525/1.8=3...(7) HA GLU 64 - HB2 GLU 94 OK 19 96 - 20 - 4525/1.8=3, 4537/3.0=2...(9) HA LEU 58 - HB2 GLU 94 OK 13 87 - 15 - 4514=2, 4525/1.8=2...(5) HA LEU 114 - HB2 GLU 94 OK 12 73 - 17 - 4525/1.8=2, 6239/3.0=1...(7) HA GLU 94 - HB3 ARG 53 poor 8 56 - 14 - 3.0/1239=2, 4514=2...(5) HA LYS 65 - HB2 GLU 94 lone 7 83 - 8 - 4525/1.8=1 HB3 SER 113 - HB2 GLU 94 lone 3 63 - 5 - HA3 GLY 48 - HB2 GLU 94 lone 3 73 - 4 - 6895/4.7=1 HA ALA 122 - HB2 GLU 94 lone 2 100 - 2 - HB THR 19 - HB2 GLU 94 lone 1 76 - 2 - HB2 SER 78 - HB2 GLU 94 lone 1 60 - 1 - HA3 GLY 48 - HB3 ARG 53 lone 1 34 - 2 - HA ALA 89 - HB2 GLU 94 lone 1 60 - 1 - HA LEU 58 - HB3 ARG 53 lone 1 43 - 1 - HA GLN 103 - HB3 ARG 53 lone 0 55 - 1 - HA GLU 64 - HB3 ARG 53 lone 0 50 - 1 - HA LEU 114 - HB3 ARG 53 lone 0 34 - 1 - HA LYS 65 - HB3 ARG 53 lone 0 40 - 1 - HA ALA 122 - HB3 ARG 53 lone 0 56 - 0 - HB THR 19 - HB3 ARG 53 lone 0 36 - 0 - HA ALA 89 - HB3 ARG 53 lone 0 27 - 1 - HB2 SER 78 - HB3 ARG 53 lone 0 27 - 0 - HB3 SER 113 - HB3 ARG 53 lone 0 28 - 0 - Peak 4520 from cnoeabs.peaks (2.00, 2.00, 29.56 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 94 + HB2 GLU 94 OK 100 100 - 100 HB3 ARG 53 - HB3 ARG 53 OK 33 33 - 100 Peak 4521 from cnoeabs.peaks (1.95, 2.00, 29.56 ppm; 2.40 A): 1 out of 40 assignments used, quality = 1.00: * HB3 GLU 94 + HB2 GLU 94 OK 100 100 - 100 - 1.8=100 HB2 GLU 38 - HB2 GLU 94 lone 9 96 - 9 - 3.0/6005=1 HB2 GLU 64 - HB2 GLU 94 lone 8 90 - 9 - 3.0/4519=1 HB3 ARG 85 - HB2 GLU 94 lone 8 99 - 8 - 4526=1 HB2 ARG 85 - HB2 GLU 94 lone 8 99 - 8 - 4526=1 HB3 GLU 64 - HB2 GLU 94 lone 8 87 - 9 - 3.0/4519=1 HG2 PRO 68 - HB2 GLU 94 poor 7 68 - 11 - 2.3/4522=1 HB3 PRO 68 - HB2 GLU 94 poor 7 60 - 11 - 1.8/4522=2 HB3 GLN 103 - HB2 GLU 94 lone 5 60 - 8 - 3.0/4519=1 HG LEU 58 - HB2 GLU 94 lone 4 81 - 5 - HG LEU 114 - HB2 GLU 94 lone 4 68 - 6 - HB3 GLU 94 - HB3 ARG 53 lone 3 56 - 5 - 4526=1 HB2 LEU 41 - HB2 GLU 94 lone 3 60 - 4 - HB2 ARG 71 - HB3 ARG 53 lone 2 40 - 5 - HB2 LEU 41 - HB3 ARG 53 lone 2 27 - 6 - HB3 PRO 30 - HB3 ARG 53 lone 2 54 - 3 - HB ILE 124 - HB2 GLU 94 lone 1 60 - 2 - HB3 GLU 69 - HB2 GLU 94 lone 1 97 - 1 - HB2 LEU 21 - HB3 ARG 53 lone 1 30 - 4 - ~6046=2 HB3 PRO 30 - HB2 GLU 94 lone 1 99 - 1 - HG LEU 45 - HB2 GLU 94 lone 1 87 - 1 - HB3 LYS 119 - HB2 GLU 94 lone 1 97 - 1 - HB2 LYS 109 - HB2 GLU 94 lone 1 90 - 1 - HG2 PRO 68 - HB3 ARG 53 lone 1 31 - 2 - HB3 PRO 68 - HB3 ARG 53 lone 1 27 - 3 - HB2 ARG 71 - HB2 GLU 94 lone 1 83 - 1 - HB2 GLU 38 - HB3 ARG 53 lone 1 50 - 1 - HB3 GLU 69 - HB3 ARG 53 lone 1 52 - 1 - HB2 LYS 109 - HB3 ARG 53 lone 1 45 - 1 - HB3 ARG 85 - HB3 ARG 53 lone 0 54 - 1 - HB2 ARG 85 - HB3 ARG 53 lone 0 54 - 1 - HG LEU 45 - HB3 ARG 53 lone 0 43 - 1 - HB3 LYS 119 - HB3 ARG 53 lone 0 52 - 1 - HB2 LEU 21 - HB2 GLU 94 lone 0 65 - 0 - HB2 GLU 64 - HB3 ARG 53 lone 0 45 - 0 - HG LEU 58 - HB3 ARG 53 lone 0 39 - 1 - HB3 GLU 64 - HB3 ARG 53 lone 0 43 - 0 - HG LEU 114 - HB3 ARG 53 lone 0 31 - 0 - HB ILE 124 - HB3 ARG 53 lone 0 27 - 0 - HB3 GLN 103 - HB3 ARG 53 lone 0 27 - 0 - Peak 4522 from cnoeabs.peaks (2.24, 2.00, 29.56 ppm; 3.29 A): 2 out of 28 assignments used, quality = 1.00: * HG2 GLU 94 + HB2 GLU 94 OK 100 100 - 100 - 3.0=100 HG3 GLU 94 + HB2 GLU 94 OK 57 57 - 100 - 3.0=100 HB2 PRO 68 - HB2 GLU 94 OK 26 100 - 27 - 4528/1.8=3, 3733=2...(11) HG2 GLU 38 - HB2 GLU 94 OK 17 100 - 17 - 4.0/6005=2, 4528/1.8=2...(6) HG3 GLU 38 - HB2 GLU 94 OK 17 100 - 17 - 4.0/6005=2, 4528/1.8=2...(6) HG3 GLU 64 - HB2 GLU 94 OK 16 100 - 16 - 3.9/4519=2, 4532=2...(7) HG2 GLU 56 - HB3 ARG 53 OK 11 54 - 20 - ~8732=2, ~6068=2...(10) HG3 GLU 28 - HB2 GLU 94 lone 6 99 - 6 - HG2 GLU 28 - HB2 GLU 94 lone 6 98 - 6 - HB3 PRO 37 - HB3 ARG 53 poor 5 34 - 15 - ~8432=3, ~6068=2...(6) HG2 GLU 94 - HB3 ARG 53 lone 5 56 - 8 - HB2 PRO 70 - HB2 GLU 94 lone 4 100 - 4 - HB3 LEU 117 - HB2 GLU 94 lone 4 99 - 4 - HB2 PRO 68 - HB3 ARG 53 lone 4 55 - 7 - HB2 PRO 70 - HB3 ARG 53 lone 4 55 - 6 - HB3 PRO 37 - HB2 GLU 94 lone 3 73 - 4 - 3.9/4518=1 HB2 CYS 87 - HB2 GLU 94 lone 2 57 - 4 - 1242/4.0=1 HB3 LEU 117 - HB3 ARG 53 lone 2 54 - 4 - HG2 GLU 56 - HB2 GLU 94 lone 2 99 - 2 - HG3 GLU 94 - HB3 ARG 53 lone 2 26 - 8 - HG2 GLU 38 - HB3 ARG 53 lone 2 56 - 3 - HG3 GLU 38 - HB3 ARG 53 lone 2 56 - 3 - HG3 GLU 15 - HB2 GLU 94 lone 1 96 - 1 - HG3 GLU 64 - HB3 ARG 53 lone 1 56 - 1 - HG3 GLU 28 - HB3 ARG 53 lone 1 54 - 1 - HG2 GLU 28 - HB3 ARG 53 lone 1 52 - 1 - HG3 GLU 15 - HB3 ARG 53 lone 0 50 - 1 - HB2 CYS 87 - HB3 ARG 53 lone 0 26 - 1 - Peak 4523 from cnoeabs.peaks (2.27, 2.00, 29.56 ppm; 3.20 A): 2 out of 22 assignments used, quality = 1.00: * HG3 GLU 94 + HB2 GLU 94 OK 100 100 - 100 - 3.0=100 HG2 GLU 94 + HB2 GLU 94 OK 57 57 - 100 - 3.0=100 HG3 GLU 38 - HB2 GLU 94 poor 9 63 - 15 - 4.0/6005=2, 3.0/4521=1...(5) HG2 GLU 38 - HB2 GLU 94 poor 9 60 - 15 - 4.0/6005=2, 3.0/4521=1...(5) HB2 CYS 87 - HB2 GLU 94 lone 7 100 - 7 - 1242/4.0=2, 470/4.7=1 HG2 GLU 56 - HB3 ARG 53 poor 6 36 - 17 - ~8732=2, ~6068=2...(9) HG3 GLU 94 - HB3 ARG 53 lone 5 56 - 8 - 4538=1 HG3 GLN 105 - HB2 GLU 94 lone 4 95 - 4 - HG2 GLN 105 - HB2 GLU 94 lone 4 93 - 4 - HB2 PRO 70 - HB2 GLU 94 lone 2 71 - 3 - HB2 PRO 70 - HB3 ARG 53 lone 2 33 - 5 - HG2 GLU 94 - HB3 ARG 53 lone 2 26 - 7 - HG2 GLU 56 - HB2 GLU 94 lone 1 76 - 2 - HG3 GLU 15 - HB2 GLU 94 lone 1 87 - 1 - HB VAL 120 - HB2 GLU 94 lone 1 60 - 2 - HG3 GLN 105 - HB3 ARG 53 lone 1 49 - 2 - HB2 CYS 87 - HB3 ARG 53 lone 1 56 - 1 - HG2 GLN 105 - HB3 ARG 53 lone 1 48 - 2 - HG3 GLU 38 - HB3 ARG 53 lone 1 28 - 2 - HG2 GLU 38 - HB3 ARG 53 lone 1 27 - 2 - HB VAL 120 - HB3 ARG 53 lone 0 27 - 1 - HG3 GLU 15 - HB3 ARG 53 lone 0 43 - 0 - Peak 4524 from cnoeabs.peaks (8.54, 1.95, 29.56 ppm; 3.09 A): 4 out of 15 assignments used, quality = 0.81: * H GLU 94 + HB3 GLU 94 OK 67 100 - 67 - 4.0=45, 1239/1.8=14...(12) H GLY 86 + HB2 ARG 85 OK 19 41 - 47 - 4.7=29, 420/1.8=8...(6) H GLY 86 + HB3 ARG 85 OK 19 41 - 47 - 4.7=29, 420/1.8=8...(6) H GLU 38 + HB3 GLU 94 OK 12 85 - 15 - 4518/1.8=2, 928=2...(7) H ARG 53 - HB3 GLU 94 lone 10 100 - 10 - 4518/1.8=2, 4512/2.9=2...(4) H LEU 41 - HB3 GLU 94 lone 9 100 - 9 - 4518/1.8=2, 4512/2.9=1 H GLU 94 - HB2 ARG 85 poor 9 58 - 15 - 1240=4, 1240/1.8=3...(5) H GLU 94 - HB3 ARG 85 poor 9 58 - 15 - 1240=4, 1240/1.8=3...(5) H GLY 86 - HB3 GLU 94 lone 6 83 - 7 - 421=1 H LEU 41 - HB2 ARG 85 poor 6 57 - 10 - 164/3.9=2, 945/3.0=2...(5) H LEU 41 - HB3 ARG 85 poor 6 57 - 10 - 164/3.9=2, 945/3.0=2...(5) H GLU 38 - HB3 ARG 85 poor 5 43 - 11 - 928=2, 928/1.8=2, 3.0/2701=2 H GLU 38 - HB2 ARG 85 poor 5 43 - 11 - 928=2, 928/1.8=2, 3.0/2701=2 H ARG 53 - HB2 ARG 85 lone 2 57 - 3 - H ARG 53 - HB3 ARG 85 lone 2 57 - 3 - Peak 4525 from cnoeabs.peaks (4.27, 1.95, 29.56 ppm; 3.48 A): 1 out of 36 assignments used, quality = 1.00: * HA GLU 94 + HB3 GLU 94 OK 100 100 - 100 - 2.9=100 HA GLU 64 - HB3 GLU 94 OK 20 96 - 21 - 4519/1.8=4, 4537/3.0=2...(8) HA GLN 103 - HB3 GLU 94 OK 18 100 - 18 - 4519/1.8=4, 3.0/4526=1...(6) HA LEU 58 - HB3 GLU 94 OK 14 87 - 16 - 4519/1.8=2, 1238/4.0=2...(5) HA GLU 94 - HB2 ARG 85 OK 12 58 - 21 - 3.0/1240=2, 4515=2...(6) HA GLU 94 - HB3 ARG 85 OK 12 58 - 21 - 3.0/1240=2, 4515=2...(6) HA LEU 114 - HB3 GLU 94 OK 12 73 - 16 - 4519/1.8=2, 3.0/8537=2...(4) HA LYS 65 - HB3 GLU 94 lone 7 83 - 8 - 4519/1.8=1 HA LEU 58 - HB2 ARG 85 poor 5 44 - 11 - HA LEU 58 - HB3 ARG 85 poor 5 44 - 11 - HB3 SER 113 - HB3 GLU 94 lone 4 63 - 6 - 4.7/8537=1 HA LEU 114 - HB2 ARG 85 poor 4 35 - 10 - ~6158=1, 5059/3.0=1 HA LEU 114 - HB3 ARG 85 poor 4 35 - 10 - ~6158=1, 5059/3.0=1 HA3 GLY 48 - HB3 GLU 94 lone 3 73 - 4 - 6895/4.7=1 HA GLU 64 - HB2 ARG 85 lone 2 51 - 4 - HA GLU 64 - HB3 ARG 85 lone 2 51 - 4 - HA ALA 122 - HB3 GLU 94 lone 2 100 - 2 - HB THR 19 - HB3 GLU 94 lone 2 76 - 2 - HA ALA 89 - HB3 ARG 85 lone 2 28 - 6 - ~6158=2, ~1715=1 HA ALA 89 - HB2 ARG 85 lone 2 28 - 6 - ~6158=2, ~1715=1 HB2 SER 78 - HB3 GLU 94 lone 1 60 - 2 - HA LYS 65 - HB3 ARG 85 lone 1 41 - 3 - HA LYS 65 - HB2 ARG 85 lone 1 41 - 3 - HA ALA 89 - HB3 GLU 94 lone 1 60 - 1 - HB3 SER 113 - HB2 ARG 85 lone 1 29 - 3 - HB3 SER 113 - HB3 ARG 85 lone 1 29 - 3 - HA GLN 103 - HB2 ARG 85 lone 1 57 - 1 - HA GLN 103 - HB3 ARG 85 lone 1 57 - 1 - HB THR 19 - HB3 ARG 85 lone 0 37 - 1 - HB THR 19 - HB2 ARG 85 lone 0 37 - 1 - HA ALA 122 - HB3 ARG 85 lone 0 58 - 1 - HA ALA 122 - HB2 ARG 85 lone 0 58 - 1 - HB2 SER 78 - HB2 ARG 85 lone 0 28 - 1 - HB2 SER 78 - HB3 ARG 85 lone 0 28 - 1 - HA3 GLY 48 - HB3 ARG 85 lone 0 35 - 1 - HA3 GLY 48 - HB2 ARG 85 lone 0 35 - 1 - Peak 4526 from cnoeabs.peaks (2.00, 1.95, 29.56 ppm; 2.40 A): 1 out of 42 assignments used, quality = 1.00: * HB2 GLU 94 + HB3 GLU 94 OK 100 100 - 100 - 1.8=100 HB3 PRO 68 - HB3 GLU 94 OK 12 92 - 14 - 1.8/4528=2 HG2 PRO 68 - HB3 GLU 94 poor 10 87 - 12 - 2.3/4528=1 HB3 GLN 103 - HB3 GLU 94 lone 7 92 - 8 - 4733/2.9=1 HG LEU 114 - HB3 GLU 94 lone 6 87 - 6 - HB2 GLU 94 - HB3 ARG 85 lone 5 58 - 9 - 4521=2, 4521/1.8=1 HB2 GLU 94 - HB2 ARG 85 lone 5 58 - 9 - 4521=2, 4521/1.8=1 HB2 LEU 41 - HB3 GLU 94 lone 4 92 - 5 - HB3 ARG 53 - HB3 GLU 94 lone 4 71 - 5 - HB2 LEU 55 - HB3 GLU 94 lone 3 100 - 3 - HB ILE 124 - HB3 GLU 94 lone 2 92 - 2 - HG2 PRO 60 - HB3 ARG 85 lone 2 56 - 3 - HG2 PRO 60 - HB2 ARG 85 lone 2 56 - 3 - HB2 LEU 41 - HB3 ARG 85 lone 2 48 - 4 - HB2 LEU 41 - HB2 ARG 85 lone 2 48 - 4 - HB2 LYS 46 - HB3 GLU 94 lone 1 100 - 1 - HG2 PRO 60 - HB3 GLU 94 lone 1 100 - 1 - HB2 MET 11 - HB3 GLU 94 lone 1 96 - 1 - HG LEU 114 - HB2 ARG 85 lone 1 44 - 2 - HG LEU 114 - HB3 ARG 85 lone 1 44 - 2 - HB3 PRO 68 - HB3 ARG 85 lone 1 48 - 2 - HB3 PRO 68 - HB2 ARG 85 lone 1 48 - 2 - HG2 PRO 68 - HB2 ARG 85 lone 1 44 - 2 - HG2 PRO 68 - HB3 ARG 85 lone 1 44 - 2 - HG LEU 45 - HB3 GLU 94 lone 1 68 - 1 - HB2 ARG 71 - HB3 GLU 94 lone 1 73 - 1 - HB2 LYS 46 - HB3 ARG 85 lone 1 58 - 1 - HB2 LYS 46 - HB2 ARG 85 lone 1 58 - 1 - HB2 LEU 55 - HB2 ARG 85 lone 1 57 - 1 - HB2 LEU 55 - HB3 ARG 85 lone 1 57 - 1 - HG LEU 45 - HB2 ARG 85 lone 0 32 - 1 - HG LEU 45 - HB3 ARG 85 lone 0 32 - 1 - HB3 ARG 53 - HB3 ARG 85 lone 0 34 - 1 - HB3 ARG 53 - HB2 ARG 85 lone 0 34 - 1 - HB ILE 124 - HB2 ARG 85 lone 0 48 - 1 - HB ILE 124 - HB3 ARG 85 lone 0 48 - 1 - HB2 ARG 71 - HB2 ARG 85 lone 0 35 - 1 - HB2 ARG 71 - HB3 ARG 85 lone 0 35 - 1 - HB3 GLN 103 - HB2 ARG 85 lone 0 48 - 0 - HB3 GLN 103 - HB3 ARG 85 lone 0 48 - 0 - HB2 MET 11 - HB2 ARG 85 lone 0 51 - 0 - HB2 MET 11 - HB3 ARG 85 lone 0 51 - 0 - Peak 4527 from cnoeabs.peaks (1.95, 1.95, 29.56 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 94 + HB3 GLU 94 OK 100 100 - 100 HB3 ARG 85 + HB3 ARG 85 OK 56 56 - 100 HB2 ARG 85 + HB2 ARG 85 OK 56 56 - 100 Peak 4528 from cnoeabs.peaks (2.24, 1.95, 29.56 ppm; 2.92 A): 2 out of 42 assignments used, quality = 0.98: * HG2 GLU 94 + HB3 GLU 94 OK 95 100 - 95 - 3.0=92, 5.0/5809=6...(9) HG3 GLU 94 + HB3 GLU 94 OK 54 57 - 95 - 3.0=92, 1.8/3566=6...(10) HB2 PRO 68 - HB3 GLU 94 OK 22 100 - 22 - 1.8/4526=3, 4522/1.8=2...(5) HG2 GLU 38 - HB3 GLU 94 OK 14 100 - 14 - 4522/1.8=2, 2719=1...(5) HG3 GLU 38 - HB3 GLU 94 OK 14 100 - 14 - 4522/1.8=2, 2725=1...(5) HG3 GLU 64 - HB3 GLU 94 OK 10 100 - 10 - 4522/1.8=1, 3.9/4525=1 HG2 GLU 38 - HB2 ARG 85 poor 6 58 - 11 - 2719=1, 4.0/2701=1, 3.0/2713=1 HG2 GLU 38 - HB3 ARG 85 poor 6 58 - 11 - 2719=1, 4.0/2701=1, 3.0/2713=1 HG3 GLU 38 - HB3 ARG 85 poor 6 57 - 11 - 2719=1, 4.0/2701=1, 3.0/2713=1 HG3 GLU 38 - HB2 ARG 85 poor 6 57 - 11 - 2719=1, 4.0/2701=1, 3.0/2713=1 HG2 GLU 94 - HB3 ARG 85 lone 5 58 - 9 - 1.8/4539=1, 3.0/4521=1 HG2 GLU 94 - HB2 ARG 85 lone 5 58 - 9 - 1.8/4539=1, 3.0/4521=1 HG3 GLU 28 - HB3 GLU 94 lone 4 99 - 4 - HG2 GLU 28 - HB3 GLU 94 lone 4 98 - 4 - HB2 PRO 70 - HB3 GLU 94 lone 3 100 - 3 - HB3 LEU 117 - HB3 GLU 94 lone 3 99 - 3 - HG3 GLU 94 - HB3 ARG 85 lone 2 26 - 9 - 3.0/4521=1 HG3 GLU 94 - HB2 ARG 85 lone 2 26 - 9 - 3.0/4521=1 HB3 PRO 37 - HB3 GLU 94 lone 2 73 - 3 - 3.9/928=1 HB2 CYS 87 - HB3 GLU 94 lone 2 57 - 3 - 1242/4.0=1 HB2 PRO 68 - HB2 ARG 85 lone 2 56 - 3 - HB2 PRO 68 - HB3 ARG 85 lone 2 56 - 3 - HG2 GLU 56 - HB3 GLU 94 lone 1 99 - 2 - HG3 GLU 64 - HB3 ARG 85 lone 1 57 - 2 - HG3 GLU 64 - HB2 ARG 85 lone 1 57 - 2 - HG3 GLU 15 - HB3 GLU 94 lone 1 96 - 1 - HG3 GLU 15 - HB3 ARG 85 lone 1 51 - 1 - HG3 GLU 15 - HB2 ARG 85 lone 1 51 - 1 - HB2 PRO 70 - HB3 ARG 85 lone 1 56 - 1 - HB2 PRO 70 - HB2 ARG 85 lone 1 56 - 1 - HB3 PRO 37 - HB2 ARG 85 lone 1 35 - 2 - HB3 PRO 37 - HB3 ARG 85 lone 1 35 - 2 - HG3 GLU 28 - HB2 ARG 85 lone 1 55 - 1 - HG3 GLU 28 - HB3 ARG 85 lone 1 55 - 1 - HG2 GLU 28 - HB3 ARG 85 lone 1 54 - 1 - HG2 GLU 28 - HB2 ARG 85 lone 1 54 - 1 - HB2 CYS 87 - HB2 ARG 85 lone 1 26 - 2 - 3.6/7523=1 HB2 CYS 87 - HB3 ARG 85 lone 1 26 - 2 - 3.6/7523=1 HB3 LEU 117 - HB2 ARG 85 lone 0 56 - 1 - HB3 LEU 117 - HB3 ARG 85 lone 0 56 - 1 - HG2 GLU 56 - HB3 ARG 85 lone 0 55 - 1 - HG2 GLU 56 - HB2 ARG 85 lone 0 55 - 1 - Peak 4529 from cnoeabs.peaks (2.27, 1.95, 29.56 ppm; 2.90 A): 2 out of 33 assignments used, quality = 0.97: * HG3 GLU 94 + HB3 GLU 94 OK 93 100 - 93 - 3.0=90, 4537/2.9=7...(10) HG2 GLU 94 + HB3 GLU 94 OK 53 57 - 93 - 3.0=90, 5.0/5809=6...(9) HG3 GLU 38 - HB3 GLU 94 poor 7 63 - 12 - 4523/1.8=1, 1.8/2719=1 HG2 GLU 38 - HB3 GLU 94 poor 7 60 - 12 - 4523/1.8=1, 1.8/2725=1 HG3 GLU 94 - HB2 ARG 85 lone 6 58 - 10 - 4539=2, 4539/1.8=1, 3.0/4521=1 HG3 GLU 94 - HB3 ARG 85 lone 6 58 - 10 - 4539=2, 4539/1.8=1, 3.0/4521=1 HB2 CYS 87 - HB3 GLU 94 lone 6 100 - 6 - 1242/4.0=2, 470/4.7=1 HG3 GLN 105 - HB3 GLU 94 lone 3 95 - 3 - HG2 GLN 105 - HB3 GLU 94 lone 3 93 - 3 - HG3 GLU 38 - HB2 ARG 85 lone 3 29 - 10 - 4.0/2701=1, 3.0/2713=1 HG3 GLU 38 - HB3 ARG 85 lone 3 29 - 10 - 4.0/2701=1, 3.0/2713=1 HG2 GLU 38 - HB2 ARG 85 lone 3 28 - 10 - 4.0/2701=1, 3.0/2713=1 HG2 GLU 38 - HB3 ARG 85 lone 3 28 - 10 - 4.0/2701=1, 3.0/2713=1 HG2 GLU 94 - HB2 ARG 85 lone 2 26 - 9 - 1.8/4539=1, 3.0/4521=1 HG2 GLU 94 - HB3 ARG 85 lone 2 26 - 9 - 1.8/4539=1, 3.0/4521=1 HB2 PRO 70 - HB3 GLU 94 lone 2 71 - 2 - HB2 CYS 87 - HB3 ARG 85 lone 1 58 - 2 - HB2 CYS 87 - HB2 ARG 85 lone 1 58 - 2 - HG3 GLU 15 - HB3 GLU 94 lone 1 87 - 1 - HG2 GLU 56 - HB3 GLU 94 lone 1 76 - 1 - HB VAL 120 - HB3 GLU 94 lone 1 60 - 1 - HG3 GLU 15 - HB2 ARG 85 lone 1 44 - 1 - HG3 GLU 15 - HB3 ARG 85 lone 1 44 - 1 - HB2 PRO 70 - HB3 ARG 85 lone 0 34 - 1 - HB2 PRO 70 - HB2 ARG 85 lone 0 34 - 1 - HG3 GLN 105 - HB2 ARG 85 lone 0 50 - 1 - HG3 GLN 105 - HB3 ARG 85 lone 0 50 - 1 - HG2 GLN 105 - HB2 ARG 85 lone 0 49 - 1 - HG2 GLN 105 - HB3 ARG 85 lone 0 49 - 1 - HB VAL 120 - HB2 ARG 85 lone 0 28 - 1 - HB VAL 120 - HB3 ARG 85 lone 0 28 - 1 - HG2 GLU 56 - HB3 ARG 85 lone 0 37 - 0 - HG2 GLU 56 - HB2 ARG 85 lone 0 37 - 0 - Peak 4530 from cnoeabs.peaks (8.54, 2.24, 35.91 ppm; 3.56 A): 5 out of 25 assignments used, quality = 0.89: * H GLU 94 + HG2 GLU 94 OK 72 100 - 72 - 4.9=38, 1242/1.8=13...(10) H GLU 94 + HG3 GLU 94 OK 41 57 - 72 - 4.9=38, 1239/3.0=13...(12) H GLU 94 + HG3 GLU 64 OK 15 99 - 15 - 1241=3, 1238/3.9=2...(7) H GLU 38 + HG2 GLU 94 OK 14 85 - 16 - 931=2, 4524/3.0=2...(7) H ARG 53 + HG2 GLU 94 OK 10 100 - 10 - 4518/3.0=2, 465/5.0=2...(5) H GLU 38 - HG3 GLU 64 poor 10 83 - 12 - 931=2, 929/1.8=1...(5) H LEU 41 - HG2 GLU 94 lone 8 100 - 8 - 4518/3.0=2, 4524/3.0=2 H GLU 38 - HG3 GLU 28 lone 7 75 - 10 - 930=1, 930/1.8=1...(4) H GLU 38 - HG2 GLU 28 lone 7 74 - 10 - 930=1, 930/1.8=1, 145/4.0=1 H GLU 38 - HG3 GLU 94 poor 6 42 - 15 - 4524/3.0=2, 4518/3.0=2...(8) H ARG 53 - HG3 GLU 94 lone 6 57 - 10 - 4518/3.0=2, 465/5.0=2...(4) H LEU 41 - HG3 GLU 28 lone 5 94 - 6 - 161/5.1=2, 1587/4.0=1 H LEU 41 - HG2 GLU 28 lone 5 93 - 6 - 161/5.1=2, 1587/4.0=1 H GLU 94 - HG3 GLU 28 lone 5 94 - 6 - H GLU 94 - HG2 GLU 28 lone 5 93 - 6 - H GLY 86 - HG2 GLU 94 lone 5 83 - 6 - 421/3.0=1 H LEU 41 - HG3 GLU 94 lone 4 57 - 7 - 4518/3.0=2, 4524/3.0=2 H GLY 86 - HG3 GLU 28 lone 3 73 - 4 - 1696/5.1=2 H GLY 86 - HG2 GLU 28 lone 3 72 - 4 - 1696/5.1=2 H GLY 86 - HG3 GLU 94 lone 3 41 - 6 - 421/3.0=1 H LEU 41 - HG3 GLU 64 lone 2 99 - 2 - H ARG 53 - HG3 GLU 64 lone 2 99 - 2 - H ARG 53 - HG3 GLU 28 lone 2 93 - 2 - H ARG 53 - HG2 GLU 28 lone 2 92 - 2 - H GLY 86 - HG3 GLU 64 lone 2 81 - 2 - Peak 4531 from cnoeabs.peaks (4.27, 2.24, 35.91 ppm; 3.27 A): 3 out of 60 assignments used, quality = 0.97: HA GLU 64 + HG3 GLU 64 OK 78 94 - 83 - 3.9=60, 2.9/3564=12...(17) * HA GLU 94 + HG2 GLU 94 OK 78 100 - 78 - 4.2=49, 4517/1.8=12...(17) HA GLU 94 + HG3 GLU 94 OK 44 57 - 76 - 4.2=49, 5807/5.0=11...(19) HA LYS 65 - HG3 GLU 64 OK 17 81 - 21 - 3.0/304=5, ~303=3...(7) HA GLU 64 - HG2 GLU 94 OK 16 96 - 17 - 3545=3, 2.9/3564=3...(8) HA GLU 64 - HG3 GLU 28 OK 13 87 - 15 - 2.9/3564=3, 3545=3...(6) HA GLU 94 - HG3 GLU 64 OK 13 99 - 13 - 3559/1.8=2, 4516=1...(9) HA GLU 64 - HG2 GLU 28 OK 13 85 - 15 - 2.9/3564=3, 3545=3...(6) HA LEU 58 - HG3 GLU 64 poor 10 85 - 12 - 3545=2, 3540/5.0=2...(5) HA GLN 103 - HG2 GLU 94 lone 9 100 - 9 - 4519/3.0=3, 4525/3.0=2 HA LEU 58 - HG2 GLU 94 poor 9 87 - 10 - 4519/3.0=2, 3545=1...(5) HA GLU 64 - HG3 GLU 94 poor 8 51 - 15 - 3545/1.8=2, 4519/3.0=2...(6) HA LEU 114 - HG2 GLU 94 poor 7 73 - 10 - 6239=2, 4519/3.0=2, 4525/3.0=1 HA GLU 94 - HG3 GLU 28 lone 5 94 - 6 - HA GLU 94 - HG2 GLU 28 lone 5 93 - 6 - HA GLN 103 - HG3 GLU 94 lone 5 57 - 8 - 4519/3.0=3, 4525/3.0=2 HA LYS 65 - HG2 GLU 94 lone 4 83 - 5 - 3.0/304=1 HA LEU 58 - HG3 GLU 94 lone 4 44 - 9 - 4519/3.0=2, 4525/3.0=1...(4) HA GLN 103 - HG3 GLU 64 lone 3 99 - 3 - HA LEU 58 - HG3 GLU 28 lone 3 77 - 4 - HA LEU 114 - HG3 GLU 94 lone 3 35 - 8 - 4519/3.0=2, 6239/1.8=1 HA LEU 58 - HG2 GLU 28 lone 3 76 - 4 - HA LEU 114 - HG3 GLU 64 lone 3 72 - 4 - HA LYS 65 - HG3 GLU 28 lone 3 73 - 3 - 3.0/304=1 HA LYS 65 - HG2 GLU 28 lone 3 72 - 3 - 3.0/304=1 HA LYS 65 - HG3 GLU 94 lone 2 41 - 5 - HB3 SER 113 - HG2 GLU 94 lone 2 63 - 3 - HA3 GLY 48 - HG2 GLU 94 lone 2 73 - 2 - 6895/5.0=1 HA LEU 114 - HG3 GLU 28 lone 2 64 - 2 - HA LEU 114 - HG2 GLU 28 lone 2 63 - 2 - HB THR 19 - HG3 GLU 64 lone 1 74 - 2 - HB2 SER 78 - HG3 GLU 64 lone 1 58 - 2 - HA ALA 122 - HG2 GLU 94 lone 1 100 - 1 - HB3 SER 113 - HG3 GLU 28 lone 1 55 - 2 - HA ALA 89 - HG3 GLU 64 lone 1 58 - 2 - HB3 SER 113 - HG2 GLU 28 lone 1 53 - 2 - HB2 SER 78 - HG3 GLU 28 lone 1 52 - 2 - HA ALA 122 - HG3 GLU 64 lone 1 99 - 1 - HB2 SER 78 - HG2 GLU 28 lone 1 51 - 2 - HA3 GLY 48 - HG3 GLU 64 lone 1 72 - 1 - HB3 SER 113 - HG3 GLU 64 lone 1 61 - 1 - HB THR 19 - HG2 GLU 94 lone 1 76 - 1 - HA GLN 103 - HG3 GLU 28 lone 1 93 - 1 - HA GLN 103 - HG2 GLU 28 lone 1 92 - 1 - HB3 SER 113 - HG3 GLU 94 lone 1 29 - 3 - HA3 GLY 48 - HG3 GLU 94 lone 1 35 - 2 - 6895/5.0=1 HB2 SER 78 - HG2 GLU 94 lone 1 60 - 1 - HA ALA 122 - HG3 GLU 94 lone 1 57 - 1 - HB THR 19 - HG3 GLU 28 lone 1 67 - 1 - HB THR 19 - HG2 GLU 28 lone 1 65 - 1 - HA ALA 122 - HG3 GLU 28 lone 0 94 - 0 - HA ALA 89 - HG2 GLU 94 lone 0 60 - 1 - HA ALA 122 - HG2 GLU 28 lone 0 93 - 0 - HA ALA 89 - HG3 GLU 28 lone 0 52 - 1 - HA ALA 89 - HG2 GLU 28 lone 0 51 - 1 - HB THR 19 - HG3 GLU 94 lone 0 37 - 1 - HA3 GLY 48 - HG3 GLU 28 lone 0 64 - 0 - HA3 GLY 48 - HG2 GLU 28 lone 0 63 - 0 - HB2 SER 78 - HG3 GLU 94 lone 0 28 - 1 - HA ALA 89 - HG3 GLU 94 lone 0 28 - 1 - Peak 4532 from cnoeabs.peaks (2.00, 2.24, 35.91 ppm; 3.07 A): 2 out of 70 assignments used, quality = 1.00: * HB2 GLU 94 + HG2 GLU 94 OK 100 100 - 100 - 3.0=100 HB2 GLU 94 + HG3 GLU 94 OK 57 57 - 100 - 3.0=100 HB3 PRO 68 - HG3 GLU 28 OK 31 83 - 38 - 3739=5, 3739/1.8=4...(19) HB3 PRO 68 - HG2 GLU 28 OK 31 81 - 38 - 3739=5, 3739/1.8=4...(19) HG2 PRO 68 - HG3 GLU 28 OK 24 77 - 31 - 2.3/3739=4, 1.8/3753=3...(17) HG2 PRO 68 - HG2 GLU 28 OK 24 76 - 31 - 2.3/3739=4, 1.8/3753=3...(17) HB3 PRO 68 - HG2 GLU 94 OK 17 92 - 19 - 3739=3, 4526/3.0=2...(7) HG2 PRO 68 - HG2 GLU 94 OK 15 87 - 17 - 2.3/3739=2, 4526/3.0=2...(4) HB2 GLU 94 - HG3 GLU 64 OK 14 99 - 14 - 4522=2, 4519/3.9=2...(5) HB3 PRO 68 - HG3 GLU 94 poor 8 48 - 18 - 3739/1.8=2, 4526/3.0=2...(4) HB3 GLN 103 - HG2 GLU 94 lone 8 92 - 8 - 4733/4.2=1, 4526/3.0=1 HB2 LEU 55 - HG3 GLU 28 lone 7 94 - 8 - HG LEU 114 - HG2 GLU 94 lone 7 87 - 9 - 2.1/7958=1 HB2 LEU 55 - HG2 GLU 28 lone 7 92 - 8 - HG2 PRO 68 - HG3 GLU 94 poor 6 44 - 15 - 4526/3.0=2, ~3739=1, 3746/1.8=1 HB2 LEU 41 - HG2 GLU 94 lone 5 92 - 6 - 1239/4.9=1 HB3 ARG 53 - HG2 GLU 94 lone 5 71 - 7 - HB2 GLU 94 - HG3 GLU 28 lone 5 94 - 5 - HB2 GLU 94 - HG2 GLU 28 lone 5 93 - 5 - HB2 LEU 55 - HG2 GLU 94 lone 5 100 - 5 - HB3 GLN 103 - HG3 GLU 94 lone 4 48 - 8 - 4733/4.2=1, 4526/3.0=1 HG LEU 114 - HG3 GLU 94 lone 3 44 - 7 - ~7958=1 HB3 PRO 68 - HG3 GLU 64 lone 3 90 - 3 - HG LEU 114 - HG3 GLU 64 lone 3 85 - 3 - HB2 LEU 55 - HG3 GLU 94 lone 3 57 - 5 - HB ILE 124 - HG2 GLU 94 lone 3 92 - 3 - HB2 LEU 41 - HG3 GLU 94 lone 2 48 - 5 - 1239/4.9=1 HG2 PRO 60 - HG2 GLU 94 lone 2 100 - 2 - HB3 ARG 53 - HG3 GLU 94 lone 2 34 - 7 - HG2 PRO 68 - HG3 GLU 64 lone 2 85 - 2 - HB3 GLN 103 - HG3 GLU 64 lone 2 90 - 2 - HB2 LYS 46 - HG2 GLU 94 lone 2 100 - 2 - HB2 LEU 41 - HG3 GLU 28 lone 2 83 - 2 - HB2 LEU 41 - HG2 GLU 28 lone 2 81 - 2 - HG LEU 114 - HG3 GLU 28 lone 2 77 - 2 - HG LEU 114 - HG2 GLU 28 lone 2 76 - 2 - HB2 LEU 41 - HG3 GLU 64 lone 1 90 - 2 - HB2 MET 11 - HG2 GLU 94 lone 1 96 - 1 - HB ILE 124 - HG3 GLU 64 lone 1 90 - 2 - HB2 LEU 55 - HG3 GLU 64 lone 1 99 - 1 - HG2 PRO 60 - HG3 GLU 28 lone 1 93 - 1 - HG2 PRO 60 - HG2 GLU 28 lone 1 92 - 1 - HB ILE 124 - HG3 GLU 94 lone 1 48 - 3 - HG2 PRO 60 - HG3 GLU 64 lone 1 99 - 1 - HG2 PRO 60 - HG3 GLU 94 lone 1 56 - 2 - HB2 MET 11 - HG3 GLU 28 lone 1 87 - 1 - HB ILE 124 - HG3 GLU 28 lone 1 83 - 1 - HB2 MET 11 - HG2 GLU 28 lone 1 85 - 1 - HB2 MET 11 - HG3 GLU 64 lone 1 94 - 1 - HB ILE 124 - HG2 GLU 28 lone 1 81 - 1 - HB2 LYS 46 - HG3 GLU 94 lone 1 57 - 2 - HG LEU 45 - HG2 GLU 94 lone 1 68 - 1 - HB3 ARG 53 - HG3 GLU 64 lone 1 69 - 1 - HB2 ARG 71 - HG2 GLU 94 lone 1 73 - 1 - HB2 MET 11 - HG3 GLU 94 lone 1 51 - 1 - HB2 LYS 46 - HG3 GLU 28 lone 1 94 - 1 - HB2 LYS 46 - HG3 GLU 64 lone 1 99 - 1 - HB2 LYS 46 - HG2 GLU 28 lone 1 93 - 1 - HB3 ARG 53 - HG3 GLU 28 lone 1 62 - 1 - HB3 ARG 53 - HG2 GLU 28 lone 1 60 - 1 - HB3 GLN 103 - HG3 GLU 28 lone 1 83 - 1 - HB3 GLN 103 - HG2 GLU 28 lone 0 81 - 1 - HB2 ARG 71 - HG3 GLU 64 lone 0 72 - 0 - HB2 ARG 71 - HG3 GLU 28 lone 0 64 - 1 - HG LEU 45 - HG3 GLU 94 lone 0 32 - 1 - HB2 ARG 71 - HG2 GLU 28 lone 0 63 - 1 - HG LEU 45 - HG3 GLU 64 lone 0 66 - 0 - HG LEU 45 - HG3 GLU 28 lone 0 60 - 0 - HB2 ARG 71 - HG3 GLU 94 lone 0 35 - 1 - HG LEU 45 - HG2 GLU 28 lone 0 58 - 0 - Peak 4533 from cnoeabs.peaks (1.95, 2.24, 35.91 ppm; 2.63 A): 3 out of 100 assignments used, quality = 0.98: * HB3 GLU 94 + HG2 GLU 94 OK 78 100 - 78 - 3.0=68, 4529/1.8=12...(10) HB2 GLU 64 + HG3 GLU 64 OK 69 89 - 78 - 3.0=69, 4.0/3564=5...(10) HB3 GLU 64 + HG3 GLU 64 OK 66 85 - 78 - 3.0=69, 4.0/3564=5...(10) HB3 GLU 94 - HG3 GLU 94 OK 44 57 - 77 - 3.0=68, 4528/1.8=9...(12) HB3 PRO 68 - HG3 GLU 28 OK 13 52 - 26 - 3739=3, 3739/1.8=2...(8) HB3 PRO 68 - HG2 GLU 28 OK 13 51 - 26 - 3739=3, 3739/1.8=2...(8) HG2 PRO 68 - HG3 GLU 28 OK 12 60 - 21 - 2.3/3739=3, 1.8/3753=2...(8) HG2 PRO 68 - HG2 GLU 28 OK 12 58 - 21 - 2.3/3739=3, 1.8/3753=2...(8) HB2 GLU 64 - HG2 GLU 94 poor 9 90 - 10 - 4.0/3564=1, 3.0/3545=1 HB2 GLU 38 - HG2 GLU 94 lone 9 96 - 9 - HB3 GLU 64 - HG2 GLU 94 poor 9 87 - 10 - 4.0/3564=1, 3.0/3545=1 HB2 GLU 38 - HG3 GLU 64 lone 8 94 - 9 - 1.8/3568=1, 2708/1.8=1 HB3 GLU 94 - HG3 GLU 64 lone 8 99 - 8 - 4528=1, 1.8/4522=1 HG2 PRO 68 - HG2 GLU 94 poor 7 68 - 11 - 2.3/3739=2, 1.8/3753=1 HB3 PRO 68 - HG2 GLU 94 poor 7 60 - 12 - 3739=2, 2.3/3725=1 HB2 ARG 85 - HG2 GLU 94 lone 7 99 - 7 - HB3 ARG 85 - HG2 GLU 94 lone 7 99 - 7 - HB2 GLU 64 - HG3 GLU 28 lone 6 81 - 8 - 4.0/3564=1 HB2 GLU 64 - HG2 GLU 28 lone 6 79 - 8 - 4.0/3564=1 HB3 GLU 64 - HG3 GLU 28 lone 6 77 - 8 - 4.0/3564=1 HB3 GLU 64 - HG2 GLU 28 lone 6 76 - 8 - 4.0/3564=1 HB3 GLU 69 - HG3 GLU 64 lone 6 96 - 6 - HB2 GLU 38 - HG3 GLU 94 lone 5 51 - 9 - HB2 GLU 38 - HG3 GLU 28 lone 4 87 - 5 - HB2 GLU 38 - HG2 GLU 28 lone 4 85 - 5 - HB2 GLU 64 - HG3 GLU 94 lone 4 46 - 8 - HB3 ARG 85 - HG3 GLU 94 lone 4 56 - 7 - HB2 ARG 85 - HG3 GLU 94 lone 4 56 - 7 - HB3 GLU 64 - HG3 GLU 94 lone 4 44 - 8 - HB3 GLU 94 - HG3 GLU 28 lone 3 94 - 4 - HB3 GLU 94 - HG2 GLU 28 lone 3 93 - 4 - HG LEU 114 - HG2 GLU 94 lone 3 68 - 5 - HB3 GLN 103 - HG2 GLU 94 lone 3 60 - 5 - HG2 PRO 68 - HG3 GLU 94 lone 3 32 - 9 - HB3 PRO 68 - HG3 GLU 94 lone 3 28 - 10 - 3739/1.8=1 HG LEU 58 - HG2 GLU 94 lone 3 81 - 3 - HG LEU 58 - HG3 GLU 64 lone 2 79 - 3 - HB2 LEU 21 - HG3 GLU 64 lone 2 64 - 3 - HB3 ARG 85 - HG3 GLU 64 lone 2 98 - 2 - HB2 ARG 85 - HG3 GLU 64 lone 2 98 - 2 - HB3 PRO 30 - HG3 GLU 64 lone 2 98 - 2 - HB2 LEU 41 - HG2 GLU 94 lone 2 60 - 3 - HB3 GLU 69 - HG2 GLU 94 lone 1 97 - 1 - HG LEU 114 - HG3 GLU 64 lone 1 66 - 2 - HB3 LYS 119 - HG3 GLU 28 lone 1 89 - 1 - HB3 LYS 119 - HG2 GLU 28 lone 1 88 - 1 - HB3 GLN 103 - HG3 GLU 94 lone 1 28 - 5 - HG LEU 58 - HG3 GLU 28 lone 1 71 - 2 - HG LEU 58 - HG2 GLU 28 lone 1 70 - 2 - HB3 PRO 68 - HG3 GLU 64 lone 1 58 - 2 - HB3 PRO 30 - HG2 GLU 94 lone 1 99 - 1 - HG LEU 58 - HG3 GLU 94 lone 1 39 - 3 - HB3 PRO 30 - HG3 GLU 28 lone 1 93 - 1 - HG LEU 114 - HG3 GLU 94 lone 1 32 - 4 - HB3 GLU 69 - HG3 GLU 28 lone 1 89 - 1 - HB3 PRO 30 - HG2 GLU 28 lone 1 91 - 1 - HB3 GLU 69 - HG2 GLU 28 lone 1 88 - 1 - HG2 PRO 68 - HG3 GLU 64 lone 1 66 - 2 - HB2 ARG 85 - HG3 GLU 28 lone 1 93 - 1 - HB3 ARG 85 - HG3 GLU 28 lone 1 93 - 1 - HB3 ARG 85 - HG2 GLU 28 lone 1 91 - 1 - HB2 ARG 85 - HG2 GLU 28 lone 1 91 - 1 - HB3 LYS 119 - HG2 GLU 94 lone 1 97 - 1 - HB2 LYS 109 - HG3 GLU 64 lone 1 89 - 1 - HB3 LYS 119 - HG3 GLU 64 lone 1 96 - 1 - HG LEU 45 - HG2 GLU 94 lone 1 87 - 1 - HB ILE 124 - HG2 GLU 94 lone 1 60 - 1 - HG LEU 114 - HG3 GLU 28 lone 1 60 - 1 - HB3 GLN 103 - HG3 GLU 64 lone 1 58 - 1 - HG LEU 114 - HG2 GLU 28 lone 1 58 - 1 - HB2 LYS 109 - HG3 GLU 28 lone 1 81 - 1 - HB2 LYS 109 - HG2 GLU 94 lone 1 90 - 1 - HB2 LYS 109 - HG2 GLU 28 lone 1 79 - 1 - HB2 LEU 41 - HG3 GLU 94 lone 1 28 - 2 - HB ILE 124 - HG3 GLU 64 lone 1 58 - 1 - HB2 ARG 71 - HG2 GLU 94 lone 1 83 - 1 - HB2 LEU 41 - HG3 GLU 28 lone 1 52 - 1 - HB2 LEU 41 - HG2 GLU 28 lone 1 51 - 1 - HB3 PRO 30 - HG3 GLU 94 lone 0 56 - 1 - HB2 LEU 41 - HG3 GLU 64 lone 0 58 - 1 - HB3 GLU 69 - HG3 GLU 94 lone 0 53 - 1 - HB2 LEU 21 - HG3 GLU 28 lone 0 57 - 1 - HB2 LEU 21 - HG2 GLU 28 lone 0 56 - 1 - HB3 LYS 119 - HG3 GLU 94 lone 0 53 - 1 - HB2 LEU 21 - HG2 GLU 94 lone 0 65 - 1 - HG LEU 45 - HG3 GLU 94 lone 0 44 - 1 - HB ILE 124 - HG3 GLU 28 lone 0 52 - 1 - HG LEU 45 - HG3 GLU 64 lone 0 85 - 0 - HB ILE 124 - HG2 GLU 28 lone 0 51 - 1 - HB ILE 124 - HG3 GLU 94 lone 0 28 - 1 - HB2 ARG 71 - HG3 GLU 64 lone 0 81 - 0 - HB2 LYS 109 - HG3 GLU 94 lone 0 46 - 1 - HG LEU 45 - HG3 GLU 28 lone 0 77 - 0 - HB2 ARG 71 - HG3 GLU 28 lone 0 73 - 0 - HG LEU 45 - HG2 GLU 28 lone 0 76 - 0 - HB2 ARG 71 - HG2 GLU 28 lone 0 72 - 0 - HB2 ARG 71 - HG3 GLU 94 lone 0 41 - 1 - HB3 GLN 103 - HG3 GLU 28 lone 0 52 - 0 - HB3 GLN 103 - HG2 GLU 28 lone 0 51 - 0 - HB2 LEU 21 - HG3 GLU 94 lone 0 31 - 0 - Peak 4534 from cnoeabs.peaks (2.24, 2.24, 35.91 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HG2 GLU 94 + HG2 GLU 94 OK 100 100 - 100 HG3 GLU 64 + HG3 GLU 64 OK 99 99 - 100 HG3 GLU 28 + HG3 GLU 28 OK 92 92 - 100 HG2 GLU 28 + HG2 GLU 28 OK 89 89 - 100 HG3 GLU 94 - HG3 GLU 94 OK 26 26 - 100 Peak 4535 from cnoeabs.peaks (2.27, 2.24, 35.91 ppm; diagonal): 2 out of 2 assignments used, quality = 0.82: HG3 GLU 94 + HG3 GLU 94 OK 57 57 - 100 HG2 GLU 94 + HG2 GLU 94 OK 57 57 - 100 Reference assignment not found: HG3 GLU 94 - HG2 GLU 94 Peak 4536 from cnoeabs.peaks (8.54, 2.27, 35.91 ppm; 3.93 A): 4 out of 10 assignments used, quality = 0.93: * H GLU 94 + HG3 GLU 94 OK 83 100 - 84 - 4.9=51, 1239/3.0=15...(16) H GLU 94 + HG2 GLU 94 OK 47 57 - 81 - 4.9=51, 1242/1.8=15...(13) H GLU 38 + HG3 GLU 94 OK 15 85 - 18 - 4524/3.0=2, 4518/3.0=2...(9) H ARG 53 + HG3 GLU 94 OK 13 100 - 13 - 4518/3.0=2, 465/5.0=2...(5) H LEU 41 - HG3 GLU 94 lone 9 100 - 9 - 4518/3.0=2, 4524/3.0=2...(4) H GLY 86 - HG3 GLU 94 lone 8 83 - 10 - 421/3.0=1, 4.6/1203=1...(5) H GLU 38 - HG2 GLU 94 poor 7 42 - 17 - 4524/3.0=2, 4518/3.0=2...(8) H ARG 53 - HG2 GLU 94 poor 6 57 - 11 - 4518/3.0=2, 465/5.0=2...(4) H LEU 41 - HG2 GLU 94 lone 5 57 - 8 - 4518/3.0=2, 4524/3.0=2...(4) H GLY 86 - HG2 GLU 94 lone 3 41 - 7 - 420/3.0=1, 465/5.0=1...(4) Peak 4537 from cnoeabs.peaks (4.27, 2.27, 35.91 ppm; 3.55 A): 2 out of 24 assignments used, quality = 0.94: * HA GLU 94 + HG3 GLU 94 OK 87 100 - 87 - 4.2=63, 2.9/4529=15...(21) HA GLU 94 + HG2 GLU 94 OK 49 57 - 86 - 4.2=63, 4517/1.8=14...(19) HA GLU 64 - HG3 GLU 94 OK 18 96 - 19 - 3545/1.8=3, 4519/3.0=3...(8) HA GLN 103 - HG3 GLU 94 OK 11 100 - 11 - 4519/3.0=3, 4525/3.0=2 HA LEU 58 - HG3 GLU 94 OK 10 87 - 12 - 4519/3.0=2, 4517=2...(6) HA LEU 114 - HG3 GLU 94 poor 8 73 - 11 - 4519/3.0=2, 6239/1.8=2 HA GLU 64 - HG2 GLU 94 poor 7 51 - 14 - 4519/3.0=3, 4525/3.0=2...(5) HA GLN 103 - HG2 GLU 94 poor 6 57 - 11 - 4519/3.0=3, 4525/3.0=2 HA LYS 65 - HG3 GLU 94 lone 6 83 - 7 - ~5673=1, ~304=1 HA LEU 58 - HG2 GLU 94 poor 5 44 - 11 - 4519/3.0=2, 4525/3.0=2...(5) HA LEU 114 - HG2 GLU 94 lone 3 35 - 9 - 4519/3.0=2, 4525/3.0=1 HB3 SER 113 - HG3 GLU 94 lone 2 63 - 4 - HA LYS 65 - HG2 GLU 94 lone 2 41 - 5 - HA3 GLY 48 - HG3 GLU 94 lone 2 73 - 3 - 6895/5.0=1 HA ALA 122 - HG3 GLU 94 lone 1 100 - 1 - HB THR 19 - HG3 GLU 94 lone 1 76 - 1 - HA3 GLY 48 - HG2 GLU 94 lone 1 35 - 3 - 6895/5.0=1 HB3 SER 113 - HG2 GLU 94 lone 1 29 - 3 - HA ALA 122 - HG2 GLU 94 lone 1 57 - 1 - HB2 SER 78 - HG3 GLU 94 lone 1 60 - 1 - HA ALA 89 - HG3 GLU 94 lone 1 60 - 1 - HB THR 19 - HG2 GLU 94 lone 0 37 - 1 - HB2 SER 78 - HG2 GLU 94 lone 0 28 - 1 - HA ALA 89 - HG2 GLU 94 lone 0 28 - 1 - Peak 4538 from cnoeabs.peaks (2.00, 2.27, 35.91 ppm; 3.10 A): 2 out of 28 assignments used, quality = 1.00: * HB2 GLU 94 + HG3 GLU 94 OK 100 100 - 100 - 3.0=100 HB2 GLU 94 + HG2 GLU 94 OK 57 57 - 100 - 3.0=100 HB3 PRO 68 - HG3 GLU 94 OK 17 92 - 19 - 3739/1.8=2, 4526/3.0=2...(4) HG2 PRO 68 - HG3 GLU 94 OK 14 87 - 16 - 4526/3.0=2, ~3739=1, 3746/1.8=1 HB3 GLN 103 - HG3 GLU 94 lone 8 92 - 9 - 4733/4.2=1, 4526/3.0=1 HB3 PRO 68 - HG2 GLU 94 poor 7 48 - 15 - 4526/3.0=2, 3739=1...(4) HG LEU 114 - HG3 GLU 94 lone 7 87 - 8 - ~7958=1 HG2 PRO 68 - HG2 GLU 94 poor 6 44 - 13 - 4526/3.0=2 HB3 ARG 53 - HG3 GLU 94 lone 5 71 - 8 - HB2 LEU 55 - HG3 GLU 94 lone 5 100 - 5 - HB2 LEU 41 - HG3 GLU 94 lone 5 92 - 6 - 1239/4.9=1 HB3 GLN 103 - HG2 GLU 94 lone 4 48 - 8 - 4733/4.2=1, 4526/3.0=1 HB ILE 124 - HG3 GLU 94 lone 3 92 - 3 - HG LEU 114 - HG2 GLU 94 lone 3 44 - 6 - HB2 LEU 55 - HG2 GLU 94 lone 3 57 - 5 - HB2 LEU 41 - HG2 GLU 94 lone 2 48 - 5 - 1239/4.9=1 HG2 PRO 60 - HG3 GLU 94 lone 2 100 - 2 - HB3 ARG 53 - HG2 GLU 94 lone 2 34 - 6 - HB2 LYS 46 - HG3 GLU 94 lone 2 100 - 2 - HB2 MET 11 - HG3 GLU 94 lone 2 96 - 2 - HB ILE 124 - HG2 GLU 94 lone 1 48 - 3 - HG2 PRO 60 - HG2 GLU 94 lone 1 56 - 2 - HB2 LYS 46 - HG2 GLU 94 lone 1 57 - 2 - HG LEU 45 - HG3 GLU 94 lone 1 68 - 1 - HB2 MET 11 - HG2 GLU 94 lone 1 51 - 1 - HB2 ARG 71 - HG3 GLU 94 lone 1 73 - 1 - HG LEU 45 - HG2 GLU 94 lone 0 32 - 1 - HB2 ARG 71 - HG2 GLU 94 lone 0 35 - 1 - Peak 4539 from cnoeabs.peaks (1.95, 2.27, 35.91 ppm; 3.04 A): 2 out of 40 assignments used, quality = 1.00: * HB3 GLU 94 + HG3 GLU 94 OK 100 100 - 100 - 3.0=100 HB3 GLU 94 + HG2 GLU 94 OK 57 57 - 100 - 3.0=100 HB2 GLU 38 - HG3 GLU 94 OK 12 96 - 13 - 4521/3.0=1, 3.8/4536=1 HB2 GLU 64 - HG3 GLU 94 OK 12 90 - 13 - 3.0/4537=2, 4521/3.0=1 HB3 GLU 64 - HG3 GLU 94 OK 11 87 - 13 - 3.0/4537=2, 4521/3.0=1 HB3 ARG 85 - HG3 GLU 94 OK 11 99 - 11 - 4529=1, 4521/3.0=1 HB2 ARG 85 - HG3 GLU 94 OK 11 99 - 11 - 4529=1, 4521/3.0=1 HG2 PRO 68 - HG3 GLU 94 poor 9 68 - 14 - 2.3/4538=2, 4521/3.0=1, ~3739=1 HB3 PRO 68 - HG3 GLU 94 poor 9 60 - 15 - 3739/1.8=2, 2.3/4538=1...(4) HB2 GLU 38 - HG2 GLU 94 poor 6 51 - 11 - 4521/3.0=1 HB2 ARG 85 - HG2 GLU 94 lone 5 56 - 9 - 4521/3.0=1 HB3 ARG 85 - HG2 GLU 94 lone 5 56 - 9 - 4521/3.0=1 HB2 GLU 64 - HG2 GLU 94 poor 5 46 - 11 - 4521/3.0=1 HB3 GLU 64 - HG2 GLU 94 poor 5 44 - 11 - 4521/3.0=1 HB3 GLN 103 - HG3 GLU 94 lone 4 60 - 7 - HG LEU 114 - HG3 GLU 94 lone 4 68 - 6 - ~7958=1 HG LEU 58 - HG3 GLU 94 lone 4 81 - 5 - HG2 PRO 68 - HG2 GLU 94 poor 4 32 - 12 - 4521/3.0=1, ~4538=1 HB3 PRO 68 - HG2 GLU 94 poor 3 28 - 13 - 4521/3.0=1, ~4522=1 HB2 LEU 41 - HG3 GLU 94 lone 2 60 - 4 - HG LEU 58 - HG2 GLU 94 lone 2 39 - 5 - HB3 GLN 103 - HG2 GLU 94 lone 2 28 - 7 - HG LEU 114 - HG2 GLU 94 lone 2 32 - 5 - HB3 GLU 69 - HG3 GLU 94 lone 1 97 - 1 - HB3 PRO 30 - HG3 GLU 94 lone 1 99 - 1 - HB3 LYS 119 - HG3 GLU 94 lone 1 97 - 1 - HB ILE 124 - HG3 GLU 94 lone 1 60 - 2 - HG LEU 45 - HG3 GLU 94 lone 1 87 - 1 - HB2 LYS 109 - HG3 GLU 94 lone 1 90 - 1 - HB3 GLU 69 - HG2 GLU 94 lone 1 53 - 2 - HB2 LEU 41 - HG2 GLU 94 lone 1 28 - 3 - HB3 PRO 30 - HG2 GLU 94 lone 1 56 - 1 - HB2 ARG 71 - HG3 GLU 94 lone 1 83 - 1 - HB3 LYS 119 - HG2 GLU 94 lone 1 53 - 1 - HB2 LEU 21 - HG3 GLU 94 lone 0 65 - 1 - HG LEU 45 - HG2 GLU 94 lone 1 44 - 1 - HB2 LYS 109 - HG2 GLU 94 lone 0 46 - 1 - HB ILE 124 - HG2 GLU 94 lone 0 28 - 2 - HB2 ARG 71 - HG2 GLU 94 lone 0 41 - 1 - HB2 LEU 21 - HG2 GLU 94 lone 0 31 - 1 - Peak 4540 from cnoeabs.peaks (2.24, 2.27, 35.91 ppm; diagonal): 2 out of 2 assignments used, quality = 0.82: HG3 GLU 94 + HG3 GLU 94 OK 57 57 - 100 HG2 GLU 94 + HG2 GLU 94 OK 57 57 - 100 Reference assignment not found: HG2 GLU 94 - HG3 GLU 94 Peak 4541 from cnoeabs.peaks (2.27, 2.27, 35.91 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 94 + HG3 GLU 94 OK 100 100 - 100 HG2 GLU 94 - HG2 GLU 94 OK 26 26 - 100 Peak 4542 from cnoeabs.peaks (8.40, 4.55, 59.80 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H THR 95 + HA THR 95 OK 100 100 - 100 - 3.0=100 H ILE 80 - HA THR 95 OK 18 71 - 26 - 4.5/4544=5, 4550/3.2=4...(7) H LEU 51 - HA THR 95 poor 10 76 - 13 - 4.8/7623=3, 4.3/6924=2...(7) Peak 4543 from cnoeabs.peaks (4.55, 4.55, 59.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 95 + HA THR 95 OK 100 100 - 100 Peak 4544 from cnoeabs.peaks (3.89, 4.55, 59.80 ppm; 3.26 A): 1 out of 14 assignments used, quality = 1.00: * HB THR 95 + HA THR 95 OK 100 100 - 100 - 3.0=100 HB3 ASN 79 - HA THR 95 OK 41 99 - 42 - 4552/3.2=5, 3.5/7616=5...(20) HA ARG 53 - HA THR 95 lone 8 100 - 8 - 1245/3.0=1, ~465=1 HD2 PRO 68 - HA THR 95 poor 8 76 - 10 - 473/3.6=3, 1245/3.0=1 HD3 PRO 68 - HA THR 95 lone 7 71 - 10 - 473/3.6=2, 1245/3.0=1 HA ILE 34 - HA THR 95 lone 3 93 - 3 - HB3 SER 112 - HA THR 95 lone 3 100 - 3 - HB2 SER 112 - HA THR 95 lone 3 100 - 3 - HA2 GLY 2 - HA THR 95 lone 1 93 - 1 - HA3 GLY 2 - HA THR 95 lone 1 93 - 1 - HB THR 62 - HA THR 95 lone 1 71 - 2 - HB2 SER 13 - HA THR 95 lone 1 85 - 1 - HA THR 33 - HA THR 95 lone 1 60 - 1 - HB THR 33 - HA THR 95 lone 1 63 - 1 - Peak 4545 from cnoeabs.peaks (0.97, 4.55, 59.80 ppm; 3.03 A): 2 out of 8 assignments used, quality = 0.91: * QG2 THR 95 + HA THR 95 OK 90 100 - 90 - 3.2=85, 4550/3.0=15...(6) QD1 LEU 101 + HA THR 95 OK 13 97 - 13 - 474/3.6=2, 4549/3.0=2...(6) QD2 LEU 58 - HA THR 95 lone 8 85 - 9 - 1246/3.0=2, 8748=2...(4) QD1 LEU 58 - HA THR 95 lone 5 65 - 8 - 2.1/8748=2 QG1 VAL 18 - HA THR 95 lone 5 97 - 5 - HG2 LYS 65 - HA THR 95 lone 5 99 - 5 - 1246/3.0=1 HG3 LYS 65 - HA THR 95 lone 5 99 - 5 - 1246/3.0=1 QG2 ILE 124 - HA THR 95 lone 4 89 - 4 - Peak 4546 from cnoeabs.peaks (8.40, 3.89, 68.17 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H THR 95 + HB THR 95 OK 100 100 - 100 - 4.1=100 H ILE 80 - HB THR 95 OK 26 71 - 37 - 3.5/4547=9, 4550/2.1=7...(9) H LEU 51 - HB THR 95 poor 10 76 - 13 - 4542/3.0=3, 4550/2.1=3...(4) Peak 4547 from cnoeabs.peaks (4.55, 3.89, 68.17 ppm; 3.31 A): 1 out of 7 assignments used, quality = 1.00: * HA THR 95 + HB THR 95 OK 100 100 - 100 - 3.0=100 HA ASN 79 - HB THR 95 OK 39 100 - 39 - 4551/2.1=7, 4047=6...(14) HA GLU 82 - HB THR 95 lone 8 100 - 8 - 4551/2.1=2, 1244/4.1=1 HA LEU 27 - HB THR 95 lone 5 95 - 5 - 4551/2.1=1 HA ASN 99 - HB THR 95 lone 5 99 - 5 - 4551/2.1=1 HB THR 121 - HB THR 95 lone 2 96 - 2 - HA GLU 69 - HB THR 95 lone 1 57 - 1 - Peak 4548 from cnoeabs.peaks (3.89, 3.89, 68.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 95 + HB THR 95 OK 100 100 - 100 Peak 4549 from cnoeabs.peaks (0.97, 3.89, 68.17 ppm; 3.01 A): 1 out of 8 assignments used, quality = 1.00: * QG2 THR 95 + HB THR 95 OK 100 100 - 100 - 2.1=100 QD1 LEU 101 - HB THR 95 OK 12 97 - 13 - 4545/3.0=2, 474/4.4=2...(5) QD2 LEU 58 - HB THR 95 lone 6 85 - 7 - 4545/3.0=1, 1246/4.1=1 QG1 VAL 18 - HB THR 95 lone 6 97 - 6 - HG3 LYS 65 - HB THR 95 lone 4 99 - 4 - HG2 LYS 65 - HB THR 95 lone 4 99 - 4 - QD1 LEU 58 - HB THR 95 lone 4 65 - 6 - QG2 ILE 124 - HB THR 95 lone 3 89 - 4 - Peak 4550 from cnoeabs.peaks (8.40, 0.97, 21.16 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.87: * H THR 95 + QG2 THR 95 OK 84 100 - 84 - 4.0=72, 3.0/4545=22...(7) H ILE 80 + QG2 THR 95 OK 17 71 - 24 - 3.5/4551=6, 4546/2.1=4...(6) H LEU 51 - QG2 THR 95 lone 6 76 - 8 - 4542/3.2=2, 4.8/7626=2...(4) Peak 4551 from cnoeabs.peaks (4.55, 0.97, 21.16 ppm; 3.09 A): 2 out of 7 assignments used, quality = 0.95: * HA THR 95 + QG2 THR 95 OK 93 100 - 93 - 3.2=90, 3.0/4550=16...(6) HA ASN 79 + QG2 THR 95 OK 31 100 - 31 - 4547/2.1=7, 3.0/4552=5...(10) HA GLU 82 - QG2 THR 95 lone 10 100 - 10 - 3.6/8380=2, 4547/2.1=1...(4) HA ASN 99 - QG2 THR 95 lone 5 99 - 5 - HA LEU 27 - QG2 THR 95 lone 4 95 - 5 - HB THR 121 - QG2 THR 95 lone 2 96 - 2 - HA GLU 69 - QG2 THR 95 lone 1 57 - 1 - Peak 4552 from cnoeabs.peaks (3.89, 0.97, 21.16 ppm; 2.91 A): 1 out of 14 assignments used, quality = 1.00: * HB THR 95 + QG2 THR 95 OK 100 100 - 100 - 2.1=100 HB3 ASN 79 - QG2 THR 95 OK 30 99 - 30 - 3.0/4551=4, 4544/3.2=4...(14) HA ARG 53 - QG2 THR 95 lone 5 100 - 5 - HD2 PRO 68 - QG2 THR 95 lone 5 76 - 6 - 473/4.1=2 HD3 PRO 68 - QG2 THR 95 lone 4 71 - 6 - 473/4.1=2 HA ILE 34 - QG2 THR 95 lone 4 93 - 4 - 3.2/8251=1 HB3 SER 112 - QG2 THR 95 lone 2 100 - 2 - HB2 SER 112 - QG2 THR 95 lone 2 100 - 2 - HA2 GLY 2 - QG2 THR 95 lone 1 93 - 1 - HA3 GLY 2 - QG2 THR 95 lone 1 93 - 1 - HB THR 62 - QG2 THR 95 lone 1 71 - 1 - HB2 SER 13 - QG2 THR 95 lone 1 85 - 1 - HA THR 33 - QG2 THR 95 lone 1 60 - 1 - HB THR 33 - QG2 THR 95 lone 0 63 - 1 - Peak 4553 from cnoeabs.peaks (0.97, 0.97, 21.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 95 + QG2 THR 95 OK 100 100 - 100 Peak 4555 from cnoeabs.peaks (4.81, 4.81, 55.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PHE 96 + HA PHE 96 OK 100 100 - 100 HA TYR 67 + HA TYR 67 OK 59 59 - 100 Peak 4556 from cnoeabs.peaks (3.52, 4.81, 55.06 ppm; 5.11 A): 2 out of 10 assignments used, quality = 1.00: * HB2 PHE 96 + HA PHE 96 OK 100 100 - 100 - 3.0=100 HA LEU 84 + HA PHE 96 OK 52 90 - 57 - 1249/2.9=13, 4597/3.7=11...(12) HB2 PHE 96 - HA TYR 67 OK 37 70 - 52 - 4562=11, 1.8/4569=10...(14) HB2 PHE 83 - HA PHE 96 OK 25 100 - 25 - 1249/2.9=5, 4591/3.7=5...(7) HB2 ASP 47 - HA PHE 96 lone 7 68 - 10 - 477/3.6=4, 4591/3.7=1 HB3 SER 44 - HA PHE 96 lone 6 85 - 7 - 1249/2.9=1, 4570/3.0=1 HB2 PHE 83 - HA TYR 67 lone 4 70 - 6 - ~7471=3 HA LEU 84 - HA TYR 67 lone 3 58 - 6 - 1249/1248=1, 4597/4590=1 HB3 SER 44 - HA TYR 67 lone 1 53 - 2 - HB2 ASP 47 - HA TYR 67 lone 1 40 - 2 - Peak 4557 from cnoeabs.peaks (2.93, 4.81, 55.06 ppm; 6.20 A): 1 out of 10 assignments used, quality = 1.00: * HB3 PHE 96 + HA PHE 96 OK 100 100 - 100 - 3.0=100 HB3 PHE 96 - HA TYR 67 OK 41 70 - 58 - 2.4/4590=13, 1.8/4562=11...(13) HE3 LYS 32 - HA PHE 96 OK 36 99 - 36 - 1250/2.9=7, 4592/3.7=6...(8) HE2 LYS 32 - HA PHE 96 OK 36 99 - 36 - 1250/2.9=7, 4592/3.7=6...(8) HG3 GLU 82 - HA PHE 96 OK 20 89 - 22 - 4592/3.7=4, 1250/2.9=4...(7) HB2 ASN 106 - HA PHE 96 OK 10 63 - 16 - 7787/8452=5, 7839/8453=3...(7) HG3 GLU 82 - HA TYR 67 lone 5 56 - 9 - 7445/3.7=4 HE3 LYS 32 - HA TYR 67 lone 4 68 - 5 - HE2 LYS 32 - HA TYR 67 lone 4 67 - 5 - HB2 ASN 106 - HA TYR 67 lone 2 37 - 6 - 7787/8452=2 Peak 4560 from cnoeabs.peaks (7.27, 4.81, 55.06 ppm; 3.68 A): 1 out of 14 assignments used, quality = 0.98: * QD PHE 96 + HA PHE 96 OK 98 100 - 98 - 3.7=97, 4.4/476=17...(9) QE PHE 96 - HA PHE 96 OK 39 76 - 52 - 5.6=28, 4574/3.0=8...(6) QD PHE 96 - HA TYR 67 OK 20 69 - 29 - 2.4/4562=7, 2.4/4569=7...(7) HE ARG 57 - HA PHE 96 OK 14 100 - 14 - 4574/3.0=3, 4567/3.0=3...(5) H VAL 26 - HA PHE 96 lone 7 85 - 9 - 1253/2.9=2, 4600/3.7=2...(5) QE PHE 96 - HA TYR 67 poor 7 46 - 16 - 2.2/4596=5, 4.4/4562=4...(4) HE ARG 71 - HA PHE 96 lone 4 93 - 5 - 1253/2.9=1 HZ PHE 40 - HA PHE 96 lone 4 71 - 5 - 4574/3.0=1, 4567/3.0=1 HD1 TRP 20 - HA PHE 96 lone 3 89 - 3 - HE ARG 57 - HA TYR 67 lone 1 69 - 2 - H VAL 26 - HA TYR 67 lone 1 53 - 2 - HD1 TRP 20 - HA TYR 67 lone 1 56 - 2 - 4632/8736=1 HZ PHE 40 - HA TYR 67 lone 1 42 - 2 - HE ARG 71 - HA TYR 67 lone 1 60 - 1 - Peak 4561 from cnoeabs.peaks (7.39, 3.52, 38.61 ppm; 4.92 A): 1 out of 6 assignments used, quality = 1.00: * H PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 3.6=100 H LYS 32 - HB2 PHE 96 OK 14 85 - 17 - 4568/1.8=5, 4.0/7634=3...(5) HD21 ASN 79 - HB2 PHE 96 OK 14 94 - 15 - 4568/1.8=3, ~4706=2...(5) H GLU 75 - HB2 PHE 96 lone 6 100 - 6 - 4568/1.8=2, 475/4.3=1 H SER 72 - HB2 PHE 96 lone 3 68 - 4 - HE21 GLN 16 - HB2 PHE 96 lone 2 81 - 2 - Peak 4562 from cnoeabs.peaks (4.81, 3.52, 38.61 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 3.0=100 HA TYR 67 - HB2 PHE 96 OK 29 92 - 32 - 4569/1.8=8, 1248/3.6=6...(8) Peak 4563 from cnoeabs.peaks (3.52, 3.52, 38.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 96 + HB2 PHE 96 OK 100 100 - 100 Peak 4564 from cnoeabs.peaks (2.93, 3.52, 38.61 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 1.8=100 HE3 LYS 32 - HB2 PHE 96 OK 17 99 - 17 - 4598/2.4=3, 1250/3.6=3...(8) HE2 LYS 32 - HB2 PHE 96 OK 17 99 - 17 - 4598/2.4=3, 1250/3.6=3...(8) HG3 GLU 82 - HB2 PHE 96 lone 9 89 - 10 - 4598/2.4=2, ~4183=2, 1250/3.6=1 HB2 ASN 106 - HB2 PHE 96 lone 4 63 - 7 - 7787/7847=2 Peak 4567 from cnoeabs.peaks (7.27, 3.52, 38.61 ppm; 3.87 A): 2 out of 7 assignments used, quality = 1.00: * QD PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 2.4=100 QE PHE 96 + HB2 PHE 96 OK 65 76 - 86 - 4.4=67, ~4601=18...(16) HE ARG 57 - HB2 PHE 96 OK 25 100 - 25 - 4574/1.8=4, ~4819=4...(9) H VAL 26 - HB2 PHE 96 OK 12 85 - 14 - 4600/2.4=2, 4574/1.8=2...(6) HZ PHE 40 - HB2 PHE 96 poor 9 71 - 13 - ~2767=3, ~4573=2...(6) HE ARG 71 - HB2 PHE 96 lone 7 93 - 7 - 4574/1.8=1, 1253/3.6=1 HD1 TRP 20 - HB2 PHE 96 lone 4 89 - 5 - Peak 4568 from cnoeabs.peaks (7.39, 2.93, 38.61 ppm; 4.92 A): 1 out of 6 assignments used, quality = 1.00: * H PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 3.6=100 H LYS 32 - HB3 PHE 96 OK 16 85 - 19 - 4561/1.8=4, 4.0/8755=3...(6) HD21 ASN 79 - HB3 PHE 96 OK 12 95 - 13 - 4561/1.8=4, ~4706=2, 475/4.3=2 H GLU 75 - HB3 PHE 96 lone 7 100 - 6 - 4561/1.8=2, 475/4.3=1 H SER 72 - HB3 PHE 96 lone 3 68 - 4 - HE21 GLN 16 - HB3 PHE 96 lone 1 81 - 2 - Peak 4569 from cnoeabs.peaks (4.81, 2.93, 38.61 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 3.0=100 HA TYR 67 - HB3 PHE 96 OK 26 92 - 29 - 4562/1.8=8, 1248/3.6=5...(7) Peak 4570 from cnoeabs.peaks (3.52, 2.93, 38.61 ppm; 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 1.8=100 HA LEU 84 - HB3 PHE 96 OK 34 90 - 38 - 4597/2.4=8, 1249/3.6=6...(12) HB2 PHE 83 - HB3 PHE 96 OK 15 100 - 15 - 4597/2.4=3, ~4206=2...(7) HB2 ASP 47 - HB3 PHE 96 lone 3 68 - 5 - 477/4.3=2 HB3 SER 44 - HB3 PHE 96 lone 3 85 - 4 - Peak 4571 from cnoeabs.peaks (2.93, 2.93, 38.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HB3 PHE 96 OK 100 100 - 100 Peak 4574 from cnoeabs.peaks (7.27, 2.93, 38.61 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: * QD PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 2.4=100 QE PHE 96 + HB3 PHE 96 OK 63 76 - 83 - 4.4=65, ~4601=17...(10) HE ARG 57 - HB3 PHE 96 OK 25 100 - 25 - 4567/1.8=4, ~4819=4...(10) H VAL 26 - HB3 PHE 96 OK 11 85 - 13 - 4600/2.4=2, 4567/1.8=2...(6) HZ PHE 40 - HB3 PHE 96 poor 9 71 - 13 - ~2767=2, ~4573=2...(6) HE ARG 71 - HB3 PHE 96 lone 6 93 - 6 - 4567/1.8=1, 1253/3.6=1 HD1 TRP 20 - HB3 PHE 96 lone 4 89 - 4 - Peak 4586 from cnoeabs.peaks (7.07, 7.25, 130.94 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.83: * HZ PHE 96 + QE PHE 96 OK 83 83 - 100 - 2.2=100 HZ PHE 96 - QE PHE 40 poor 9 49 - 19 - ~2775=3, 4606=3, ~4569=2...(6) H LEU 93 - QE PHE 96 poor 8 57 - 13 - 4601/2.2=5, ~4470=2...(4) H LEU 93 - QE PHE 40 lone 1 31 - 3 - HD2 HIS 10 - QE PHE 96 lone 1 91 - 1 - HD2 HIS 10 - QE PHE 40 lone 0 55 - 1 - Peak 4587 from cnoeabs.peaks (7.25, 7.25, 130.94 ppm; diagonal): 1 out of 2 assignments used, quality = 0.94: * QE PHE 96 + QE PHE 96 OK 94 94 - 100 QE PHE 40 - QE PHE 40 OK 30 30 - 100 Peak 4588 from cnoeabs.peaks (7.27, 7.25, 130.94 ppm; diagonal): 1 out of 1 assignment used, quality = 0.67: QE PHE 96 + QE PHE 96 OK 67 67 - 100 Reference assignment not found: QD PHE 96 - QE PHE 96 Peak 4590 from cnoeabs.peaks (4.81, 7.27, 133.92 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + QD PHE 96 OK 100 100 - 100 - 3.7=100 HA TYR 67 - QD PHE 96 OK 38 91 - 42 - 4562/2.4=11, 4569/2.4=10...(8) Peak 4591 from cnoeabs.peaks (3.52, 7.27, 133.92 ppm; 5.40 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PHE 96 + QD PHE 96 OK 100 100 - 100 - 2.4=100 HA LEU 84 + QD PHE 96 OK 67 89 - 75 - 3.9/7478=19, 3.9/4713=15...(18) HB2 PHE 83 - QD PHE 96 OK 36 100 - 36 - 4570/2.4=5, 3.0/4707=5...(14) HB2 ASP 47 - QD PHE 96 poor 9 67 - 13 - 477/4.4=4, 7647/7654=2...(5) HB3 SER 44 - QD PHE 96 lone 7 84 - 8 - 4570/2.4=1 Peak 4592 from cnoeabs.peaks (2.93, 7.27, 133.92 ppm; 4.77 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PHE 96 + QD PHE 96 OK 100 100 - 100 - 2.4=100 HE3 LYS 32 - QD PHE 96 OK 25 98 - 26 - 4564/2.4=5, 3.8/4711=4...(6) HE2 LYS 32 - QD PHE 96 OK 25 98 - 26 - 4564/2.4=5, 3.8/4711=4...(6) HG3 GLU 82 - QD PHE 96 OK 17 88 - 19 - ~4183=3, 4564/2.4=3...(9) HB2 ASN 106 - QD PHE 96 lone 6 62 - 9 - 4564/2.4=1, 7803/4819=1 Peak 4594 from cnoeabs.peaks (7.25, 7.27, 133.92 ppm; diagonal): 1 out of 1 assignment used, quality = 0.72: QD PHE 96 + QD PHE 96 OK 72 72 - 100 Reference assignment not found: QE PHE 96 - QD PHE 96 Peak 4595 from cnoeabs.peaks (7.27, 7.27, 133.92 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 96 + QD PHE 96 OK 99 99 - 100 Peak 4596 from cnoeabs.peaks (9.21, 4.84, 53.20 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 97 + HA ASP 97 OK 100 100 - 100 - 3.0=100 H ALA 98 + HA ASP 97 OK 100 100 - 100 - 3.6=100 Peak 4597 from cnoeabs.peaks (4.84, 4.84, 53.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 97 + HA ASP 97 OK 100 100 - 100 Peak 4598 from cnoeabs.peaks (2.79, 4.84, 53.20 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 97 + HA ASP 97 OK 100 100 - 100 - 3.0=100 HB2 ASN 108 - HA ASP 97 OK 14 100 - 14 - 484/3.6=5, 1256/3.0=3...(5) HB2 CYS 76 - HA ASP 97 lone 2 63 - 4 - Peak 4599 from cnoeabs.peaks (2.60, 4.84, 53.20 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 97 + HA ASP 97 OK 100 100 - 100 - 3.0=100 HB3 ASP 47 - HA ASP 97 OK 30 96 - 31 - ~7648=10, 4603/3.0=5...(8) Peak 4600 from cnoeabs.peaks (9.21, 2.79, 43.47 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.95: * H ASP 97 + HB2 ASP 97 OK 78 100 - 78 - 3.9=62, 1257/1.8=31...(6) H ALA 98 + HB2 ASP 97 OK 76 100 - 77 - 4.6=39, 483/3.0=26...(9) Peak 4601 from cnoeabs.peaks (4.84, 2.79, 43.47 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 97 + HB2 ASP 97 OK 100 100 - 100 - 3.0=100 HA TYR 67 - HB2 ASP 97 lone 8 81 - 9 - 4605/1.8=3, 1255/3.9=2...(4) Peak 4602 from cnoeabs.peaks (2.79, 2.79, 43.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 97 + HB2 ASP 97 OK 100 100 - 100 Peak 4603 from cnoeabs.peaks (2.60, 2.79, 43.47 ppm; 2.66 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 97 + HB2 ASP 97 OK 100 100 - 100 - 1.8=100 HB3 ASP 47 - HB2 ASP 97 OK 17 96 - 17 - 1.8/7648=6, 4599/3.0=3...(7) Peak 4604 from cnoeabs.peaks (9.21, 2.60, 43.47 ppm; 3.31 A): 2 out of 2 assignments used, quality = 0.94: * H ASP 97 + HB3 ASP 97 OK 78 100 - 78 - 3.9=59, 1256/1.8=30...(8) H ALA 98 + HB3 ASP 97 OK 73 100 - 74 - 4.6=37, 483/3.0=25...(10) Peak 4605 from cnoeabs.peaks (4.84, 2.60, 43.47 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 97 + HB3 ASP 97 OK 100 100 - 100 - 3.0=100 HA TYR 67 - HB3 ASP 97 lone 7 81 - 9 - 4601/1.8=2, 1255/3.9=2 Peak 4606 from cnoeabs.peaks (2.79, 2.60, 43.47 ppm; 2.66 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 97 + HB3 ASP 97 OK 100 100 - 100 - 1.8=100 HB2 ASN 108 - HB3 ASP 97 lone 8 100 - 8 - 484/4.6=2, 4598/3.0=2...(4) HB2 CYS 76 - HB3 ASP 97 lone 2 63 - 3 - Peak 4607 from cnoeabs.peaks (2.60, 2.60, 43.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 97 + HB3 ASP 97 OK 100 100 - 100 Peak 4608 from cnoeabs.peaks (9.21, 4.13, 56.52 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 98 + HA ALA 98 OK 100 100 - 100 - 3.0=100 H ASP 97 + HA ALA 98 OK 50 100 - 50 - ~483=13, 486/3.6=13...(7) H ALA 98 - HA ASN 108 OK 34 99 - 35 - 1259=8, 484/3.0=8...(11) H ASP 97 - HA ASN 108 OK 15 98 - 16 - 1256/3.0=4, 4.6/1259=3...(6) H ASP 97 - HA ARG 57 poor 6 64 - 10 - 7644/4.5=5, 481/6.3=1 H ALA 98 - HA ARG 57 lone 5 64 - 8 - 1259=1, 7658/6.3=1 Peak 4609 from cnoeabs.peaks (4.13, 4.13, 56.52 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA ALA 98 + HA ALA 98 OK 100 100 - 100 HA ASN 108 + HA ASN 108 OK 97 97 - 100 HA ARG 57 - HA ARG 57 OK 41 41 - 100 Peak 4610 from cnoeabs.peaks (1.42, 4.13, 56.52 ppm; 3.05 A): 1 out of 42 assignments used, quality = 1.00: * QB ALA 98 + HA ALA 98 OK 100 100 - 100 - 2.1=100 QB ALA 98 - HA ASN 108 OK 25 99 - 26 - 4612=5, 2.9/1259=3...(13) HB3 LEU 101 - HA ALA 98 OK 15 90 - 16 - 4.0/1729=3, 1.8/6173=2...(6) HB VAL 110 - HA ALA 98 poor 9 60 - 16 - ~7668=3, 2.1/7670=2...(7) HB3 LEU 91 - HA ALA 98 lone 9 99 - 9 - 1260/3.0=1 HB2 LEU 51 - HA ALA 98 lone 8 100 - 8 - QB ALA 122 - HA ASN 108 lone 8 95 - 8 - 2.9/4866=2, ~1320=1, ~4872=1 HB3 LEU 101 - HA ASN 108 lone 7 87 - 8 - 4.0/1729=2, 1.8/6173=1 HB2 LEU 51 - HA ARG 57 poor 6 64 - 10 - 5606/3.0=1, ~7032=1, ~5610=1 QB ALA 122 - HA ALA 98 lone 6 97 - 6 - HB VAL 110 - HA ASN 108 poor 6 57 - 10 - 4.4/6198=3, 4.0/6197=2...(4) HB3 LEU 101 - HA ARG 57 lone 5 52 - 9 - 1.8/6173=1, 3.1/7717=1 HG LEU 24 - HA ARG 57 poor 4 35 - 13 - ~8209=2, 2.1/2223=2...(6) QB ALA 89 - HA ALA 98 lone 4 89 - 5 - QB ALA 98 - HA ARG 57 lone 4 64 - 6 - HB2 LEU 27 - HA ALA 98 lone 3 68 - 5 - HB3 GLU 75 - HA ARG 57 lone 3 35 - 10 - 3.0/6096=2, 3964/3.0=1...(4) HB3 LEU 45 - HA ALA 98 lone 3 65 - 5 - ~7667=1 HD3 LYS 65 - HA ALA 98 lone 2 83 - 3 - HD2 LYS 65 - HA ALA 98 lone 2 83 - 3 - HD3 LYS 65 - HA ASN 108 lone 2 79 - 3 - HD2 LYS 65 - HA ASN 108 lone 2 79 - 3 - HB VAL 110 - HA ARG 57 lone 2 31 - 7 - ~7865=1, 5877/3.6=1 HG LEU 59 - HA ALA 98 lone 2 81 - 2 - HB3 GLU 75 - HA ALA 98 lone 2 65 - 3 - HB3 LEU 91 - HA ASN 108 lone 2 97 - 2 - HB2 LEU 51 - HA ASN 108 lone 2 98 - 2 - HB3 LEU 91 - HA ARG 57 lone 2 62 - 3 - QB ALA 89 - HA ASN 108 lone 1 85 - 2 - HG LEU 24 - HA ALA 98 lone 1 65 - 2 - HB2 LEU 27 - HA ARG 57 lone 1 36 - 4 - QB ALA 89 - HA ARG 57 lone 1 51 - 3 - HB3 GLU 75 - HA ASN 108 lone 1 62 - 2 - HB2 LEU 27 - HA ASN 108 lone 1 65 - 1 - HB3 LEU 45 - HA ASN 108 lone 1 62 - 1 - HD2 LYS 65 - HA ARG 57 lone 1 46 - 2 - HD3 LYS 65 - HA ARG 57 lone 1 46 - 2 - HG LEU 59 - HA ASN 108 lone 1 77 - 1 - HB3 LEU 45 - HA ARG 57 lone 1 35 - 2 - HG LEU 24 - HA ASN 108 lone 1 62 - 1 - QB ALA 122 - HA ARG 57 lone 1 59 - 1 - HG LEU 59 - HA ARG 57 lone 0 45 - 0 - Peak 4611 from cnoeabs.peaks (9.21, 1.42, 18.97 ppm; 3.25 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 98 + QB ALA 98 OK 100 100 - 100 - 2.9=100 H ASP 97 - QB ALA 98 OK 40 100 - 40 - 3.0/7663=12, 486/3.5=9...(7) H ALA 98 - QB ALA 122 lone 3 58 - 6 - 1260=2 H ALA 98 - QB ALA 89 lone 3 67 - 4 - 1260=1 H ASP 97 - QB ALA 89 lone 1 66 - 2 - H ASP 97 - QB ALA 122 lone 1 58 - 2 - Peak 4612 from cnoeabs.peaks (4.13, 1.42, 18.97 ppm; 3.07 A): 1 out of 36 assignments used, quality = 1.00: * HA ALA 98 + QB ALA 98 OK 100 100 - 100 - 2.1=100 HA ASN 108 - QB ALA 98 OK 24 99 - 24 - 4610=5, 1259/2.9=3...(11) HA PHE 83 - QB ALA 98 OK 14 97 - 14 - 3.0/8662=2, 3.6/7655=2...(5) HA ILE 124 - QB ALA 122 poor 8 57 - 14 - 3.0/8107=4, ~8111=4...(4) HA ILE 124 - QB ALA 98 lone 8 100 - 8 - HA ILE 63 - QB ALA 98 lone 7 100 - 7 - HA PRO 37 - QB ALA 98 lone 6 99 - 6 - HB2 SER 113 - QB ALA 98 lone 6 90 - 6 - HB3 SER 78 - QB ALA 98 lone 5 97 - 5 - 4.5/8662=1 HA ASN 108 - QB ALA 122 lone 4 56 - 8 - 4866/2.9=2, 4610=1...(4) HA GLU 28 - QB ALA 98 lone 4 81 - 5 - HA ARG 57 - QB ALA 98 lone 4 76 - 5 - HA PHE 83 - QB ALA 89 lone 4 61 - 6 - 4190/4.8=2 HB2 SER 113 - QB ALA 89 lone 4 54 - 7 - 5890/2.9=1 HA ALA 98 - QB ALA 122 lone 4 58 - 6 - 4610=1 HA ALA 98 - QB ALA 89 lone 3 67 - 5 - HA3 GLY 25 - QB ALA 98 lone 3 76 - 4 - 3.6/6495=1 HA ILE 63 - QB ALA 89 lone 3 66 - 4 - HA PRO 37 - QB ALA 89 lone 2 65 - 4 - HA ILE 124 - QB ALA 89 lone 2 66 - 3 - HB3 SER 72 - QB ALA 98 lone 1 100 - 1 - HB3 SER 78 - QB ALA 89 lone 1 62 - 2 - HA GLU 28 - QB ALA 89 lone 1 47 - 3 - HA ASN 108 - QB ALA 89 lone 1 65 - 2 - HA ARG 57 - QB ALA 89 lone 1 43 - 2 - HB2 SER 113 - QB ALA 122 lone 1 47 - 2 - HA PHE 83 - QB ALA 122 lone 1 53 - 1 - HB3 SER 72 - QB ALA 89 lone 1 66 - 1 - HB3 SER 78 - QB ALA 122 lone 1 54 - 1 - HA ILE 63 - QB ALA 122 lone 1 58 - 1 - HA3 GLY 25 - QB ALA 89 lone 0 43 - 1 - HA PRO 37 - QB ALA 122 lone 0 56 - 1 - HA GLU 28 - QB ALA 122 lone 0 40 - 1 - HA ARG 57 - QB ALA 122 lone 0 37 - 1 - HB3 SER 72 - QB ALA 122 lone 0 58 - 0 - HA3 GLY 25 - QB ALA 122 lone 0 37 - 1 - Peak 4613 from cnoeabs.peaks (1.42, 1.42, 18.97 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QB ALA 98 + QB ALA 98 OK 100 100 - 100 QB ALA 122 + QB ALA 122 OK 54 54 - 100 QB ALA 89 + QB ALA 89 OK 53 53 - 100 Peak 4614 from cnoeabs.peaks (8.79, 4.56, 56.07 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 99 + HA ASN 99 OK 100 100 - 100 - 3.0=100 H GLU 15 - HA ASN 99 OK 20 89 - 23 - 4626/3.0=5, 4620/3.0=4...(8) Peak 4615 from cnoeabs.peaks (4.56, 4.56, 56.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 99 + HA ASN 99 OK 100 100 - 100 Peak 4616 from cnoeabs.peaks (2.84, 4.56, 56.07 ppm; 3.67 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 99 + HA ASN 99 OK 100 100 - 100 - 3.0=100 HB3 PHE 107 - HA ASN 99 OK 37 100 - 37 - 4621=6, 4620/3.0=5...(16) HB2 ASN 79 - HA ASN 99 OK 36 100 - 36 - 4628/3.0=4, 4051=4...(15) HB3 TYR 67 - HA ASN 99 OK 27 100 - 27 - 4051=3, 1263/3.0=3...(10) HB2 TYR 67 - HA ASN 99 OK 27 100 - 27 - 4051=3, 1263/3.0=3...(10) HB2 CYS 76 - HA ASN 99 OK 25 78 - 33 - 1.8/7332=9, 7331=6...(14) HB2 ASP 36 - HA ASN 99 lone 8 100 - 8 - 4.0/6184=3 HG CYS 52 - HA ASN 99 lone 3 97 - 3 - HE3 LYS 119 - HA ASN 99 lone 1 81 - 2 - HE2 LYS 119 - HA ASN 99 lone 1 78 - 2 - Peak 4617 from cnoeabs.peaks (2.72, 4.56, 56.07 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 99 + HA ASN 99 OK 100 100 - 100 - 3.0=100 HB3 ASN 108 - HA ASN 99 OK 32 100 - 32 - 1264/3.0=6, 3.5/6178=5...(13) HB3 ASN 106 - HA ASN 99 OK 19 100 - 19 - 492/3.6=4, 1264/3.0=3...(7) HE3 LYS 65 - HA ASN 99 lone 4 78 - 4 - Peak 4619 from cnoeabs.peaks (6.76, 4.56, 56.07 ppm; 4.69 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 99 + HA ASN 99 OK 100 100 - 100 - 4.4=100 H LEU 27 - HA ASN 99 OK 40 100 - 40 - 6540/4.4=8, 4631/3.0=6...(15) HZ PHE 107 - HA ASN 99 OK 39 99 - 40 - 2.2/6178=10, 1266/3.0=7...(11) QE TYR 67 - HA ASN 99 OK 17 68 - 25 - 4695/3.0=5, 4.5/4616=3...(11) H VAL 110 - HA ASN 99 poor 7 65 - 11 - 3.0/6182=4, 1266/3.0=2...(4) HE21 GLN 42 - HA ASN 99 lone 7 100 - 7 - Peak 4620 from cnoeabs.peaks (8.79, 2.84, 38.26 ppm; 3.60 A): 3 out of 4 assignments used, quality = 0.92: * H ASN 99 + HB2 ASN 99 OK 88 100 - 88 - 4.1=69, 4626/1.8=30...(8) H ASN 99 + HB3 PHE 107 OK 22 81 - 28 - 1263=7, 3.0/4616=4...(9) H GLU 15 + HB2 ASN 99 OK 17 89 - 19 - 4626/1.8=6, 4614/3.0=4...(5) H GLU 15 - HB3 PHE 107 lone 6 66 - 9 - 25/4.6=2, 3.6/4835=2...(4) Peak 4621 from cnoeabs.peaks (4.56, 2.84, 38.26 ppm; 3.54 A): 1 out of 16 assignments used, quality = 1.00: * HA ASN 99 + HB2 ASN 99 OK 100 100 - 100 - 3.0=100 HA ASN 79 - HB2 ASN 99 OK 42 97 - 44 - 4046=7, 4627/1.8=7...(19) HA ASN 99 - HB3 PHE 107 OK 29 81 - 36 - 4616=6, 3.0/4620=5...(16) HA LEU 27 - HB2 ASN 99 OK 19 81 - 24 - 4627/1.8=4, 2262/3.5=3...(11) HA GLU 82 - HB2 ASN 99 OK 12 96 - 13 - 4627/1.8=2, 3.6/7470=1...(4) HA ASN 79 - HB3 PHE 107 poor 9 76 - 12 - 4046=2, 3.0/1151=1 HA THR 95 - HB2 ASN 99 lone 7 99 - 7 - 4627/1.8=1 HA LEU 27 - HB3 PHE 107 lone 5 58 - 9 - ~4620=2, ~4805=2...(4) HA GLU 69 - HB2 ASN 99 lone 4 78 - 5 - HB THR 121 - HB3 PHE 107 lone 4 80 - 5 - ~8093=2, ~6194=1 HA GLU 82 - HB3 PHE 107 lone 4 73 - 5 - 4.9/4835=1 HB THR 121 - HB2 ASN 99 lone 4 100 - 4 - HA ASP 47 - HB2 ASN 99 lone 3 76 - 4 - HA THR 95 - HB3 PHE 107 lone 2 78 - 3 - HA GLU 69 - HB3 PHE 107 lone 2 56 - 3 - HA ASP 47 - HB3 PHE 107 lone 1 54 - 1 - Peak 4622 from cnoeabs.peaks (2.84, 2.84, 38.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 99 + HB2 ASN 99 OK 100 100 - 100 HB3 PHE 107 + HB3 PHE 107 OK 80 80 - 100 Peak 4623 from cnoeabs.peaks (2.72, 2.84, 38.26 ppm; 2.73 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ASN 99 + HB2 ASN 99 OK 100 100 - 100 - 1.8=100 HB3 ASN 99 - HB3 PHE 107 OK 21 81 - 25 - 4628=6, 3.0/4616=2...(14) HB3 ASN 108 - HB2 ASN 99 OK 18 100 - 18 - 4617/3.0=3, 1264/4.1=3...(9) HB3 ASN 106 - HB2 ASN 99 OK 15 100 - 15 - 674/3.5=2, ~4811=2...(8) HB3 ASN 108 - HB3 PHE 107 OK 11 80 - 14 - 1319/4.6=5, 5857/4.0=2...(4) HB3 ASN 106 - HB3 PHE 107 poor 9 81 - 11 - 4.5/1312=4, 1319/4.6=3...(4) HE3 LYS 65 - HB2 ASN 99 lone 2 78 - 3 - HE3 LYS 65 - HB3 PHE 107 lone 2 56 - 3 - Peak 4624 from cnoeabs.peaks (7.83, 2.84, 38.26 ppm; 3.61 A): 1 out of 10 assignments used, quality = 1.00: * HD21 ASN 99 + HB2 ASN 99 OK 100 100 - 100 - 3.5=100 H ASN 79 - HB2 ASN 99 OK 38 97 - 39 - 1151=8, 4630/1.8=7...(14) HD21 ASN 99 - HB3 PHE 107 OK 25 81 - 31 - 673=6, 1.7/679=5...(14) H GLY 25 - HB2 ASN 99 OK 14 97 - 14 - 6479/3.5=5, 4630/1.8=3...(6) HD21 ASN 106 - HB2 ASN 99 OK 12 89 - 13 - 686/1.8=5, ~692=3...(5) H PHE 83 - HB2 ASN 99 OK 12 85 - 14 - 4.0/7471=2, 1265/4.1=2...(6) H ASN 79 - HB3 PHE 107 poor 8 74 - 11 - 1151=2, 7378/2.4=2, 3.0/4046=1 H PHE 83 - HB3 PHE 107 lone 4 62 - 7 - 4.0/7471=3 H GLY 25 - HB3 PHE 107 lone 2 76 - 3 - 6479/5.8=1 HD21 ASN 106 - HB3 PHE 107 lone 2 66 - 3 - 3.5/4623=2 Peak 4625 from cnoeabs.peaks (6.76, 2.84, 38.26 ppm; 4.08 A): 2 out of 12 assignments used, quality = 1.00: * HD22 ASN 99 + HB2 ASN 99 OK 100 100 - 100 - 3.5=100 HZ PHE 107 + HB3 PHE 107 OK 50 78 - 64 - 5.8=35, 4624/2.4=23...(6) HZ PHE 107 - HB2 ASN 99 OK 32 99 - 33 - 4631/1.8=6, 2.2/4786=5...(11) HD22 ASN 99 - HB3 PHE 107 OK 32 81 - 40 - 679=7, 4620/2.4=6...(16) H LEU 27 - HB2 ASN 99 OK 29 100 - 29 - 6540/3.5=8, 4631/1.8=6...(9) QE TYR 67 - HB3 PHE 107 OK 16 48 - 32 - ~4833=7, 2.2/4578=5...(8) QE TYR 67 - HB2 ASN 99 OK 13 68 - 19 - 4695/1.8=5, 2.2/3706=3...(7) HE21 GLN 42 - HB3 PHE 107 OK 13 81 - 16 - 4620/2.4=9, 4852/4.4=5 H VAL 110 - HB3 PHE 107 OK 10 46 - 22 - 1746/3.0=10, 1745/4.6=7 H LEU 27 - HB3 PHE 107 poor 9 80 - 12 - 4620/2.4=6, 4852/4.4=4 HE21 GLN 42 - HB2 ASN 99 lone 5 100 - 5 - H VAL 110 - HB2 ASN 99 lone 5 65 - 7 - ~6182=1, 4631/1.8=1, 1266/4.1=1 Peak 4626 from cnoeabs.peaks (8.79, 2.72, 38.26 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.91: * H ASN 99 + HB3 ASN 99 OK 89 100 - 89 - 4.1=72, 4620/1.8=24...(9) H GLU 15 + HB3 ASN 99 OK 17 89 - 19 - 4620/1.8=5, 4614/3.0=4...(5) Peak 4627 from cnoeabs.peaks (4.56, 2.72, 38.26 ppm; 3.64 A): 1 out of 8 assignments used, quality = 1.00: * HA ASN 99 + HB3 ASN 99 OK 100 100 - 100 - 3.0=100 HA ASN 79 - HB3 ASN 99 OK 38 97 - 40 - 4621/1.8=6, 3.0/4630=5...(16) HA LEU 27 - HB3 ASN 99 OK 20 81 - 25 - 3.0/4631=4, 2262/3.5=3...(11) HA GLU 82 - HB3 ASN 99 OK 11 96 - 12 - 4621/1.8=2, 1262/4.1=1...(5) HA THR 95 - HB3 ASN 99 lone 6 99 - 6 - 4621/1.8=1 HB THR 121 - HB3 ASN 99 lone 4 100 - 4 - HA GLU 69 - HB3 ASN 99 lone 4 78 - 4 - HA ASP 47 - HB3 ASN 99 lone 2 76 - 3 - Peak 4628 from cnoeabs.peaks (2.84, 2.72, 38.26 ppm; 2.71 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 99 + HB3 ASN 99 OK 100 100 - 100 - 1.8=100 HB3 PHE 107 - HB3 ASN 99 OK 25 100 - 25 - 4623=6, 4616/3.0=2...(14) HB2 ASN 79 - HB3 ASN 99 OK 23 100 - 23 - 3.0/4627=3, 3.9/4630=2...(10) HB3 TYR 67 - HB3 ASN 99 OK 15 100 - 15 - 4.5/4695=1, 4616/3.0=1...(5) HB2 TYR 67 - HB3 ASN 99 OK 15 100 - 15 - 4.5/4695=1, 4616/3.0=1...(5) HB2 CYS 76 - HB3 ASN 99 OK 11 78 - 14 - 7331/3.0=3, ~7332=3...(5) HB2 ASP 36 - HB3 ASN 99 lone 2 100 - 2 - HG CYS 52 - HB3 ASN 99 lone 2 97 - 2 - HE3 LYS 119 - HB3 ASN 99 lone 1 81 - 1 - HE2 LYS 119 - HB3 ASN 99 lone 1 78 - 1 - Peak 4629 from cnoeabs.peaks (2.72, 2.72, 38.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 99 + HB3 ASN 99 OK 100 100 - 100 Peak 4630 from cnoeabs.peaks (7.83, 2.72, 38.26 ppm; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 99 + HB3 ASN 99 OK 100 100 - 100 - 3.5=100 H ASN 79 - HB3 ASN 99 OK 35 97 - 37 - 4624/1.8=7, 3.0/4627=6...(12) HD21 ASN 106 - HB3 ASN 99 OK 21 89 - 24 - 686=6, 1.7/692=5...(9) H GLY 25 - HB3 ASN 99 OK 15 97 - 15 - 6479/3.5=5, 4624/1.8=2...(6) H PHE 83 - HB3 ASN 99 poor 9 85 - 11 - 7470/1.8=2, 1265/4.1=2...(4) Peak 4631 from cnoeabs.peaks (6.76, 2.72, 38.26 ppm; 4.27 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 99 + HB3 ASN 99 OK 100 100 - 100 - 3.5=100 HZ PHE 107 - HB3 ASN 99 OK 33 99 - 33 - 4619/3.0=5, 1266/4.1=5...(11) H LEU 27 - HB3 ASN 99 OK 30 100 - 30 - 6540/3.5=8, 4619/3.0=5...(9) QE TYR 67 - HB3 ASN 99 OK 20 68 - 29 - 4695=6, 4.5/4628=2...(13) H VAL 110 - HB3 ASN 99 poor 7 65 - 11 - 4.7/547=2, 4.6/7841=2...(4) HE21 GLN 42 - HB3 ASN 99 lone 5 100 - 5 - Peak 4632 from cnoeabs.peaks (8.22, 4.35, 57.81 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 100 + HA ASP 100 OK 100 100 - 100 - 2.9=100 H MET 11 - HA ASP 100 OK 36 95 - 39 - 495/3.6=6, 4640/3.0=6...(12) H LEU 21 - HA ASP 100 poor 10 87 - 11 - 495/3.6=3, 4.7/7696=2...(5) H VAL 49 - HA ASP 100 lone 2 63 - 3 - Peak 4633 from cnoeabs.peaks (4.35, 4.35, 57.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 100 + HA ASP 100 OK 100 100 - 100 Peak 4634 from cnoeabs.peaks (2.89, 4.35, 57.81 ppm; 3.54 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ASP 100 + HA ASP 100 OK 100 100 - 100 - 3.0=100 HB2 PHE 40 + HA ASP 100 OK 52 100 - 52 - 1.8/2750=8, 4642/3.0=7...(17) HB2 ASN 106 + HA ASP 100 OK 45 99 - 46 - 3.9/7690=12, 1.8/7693=10...(14) HB3 ASN 12 - HA ASP 100 OK 23 97 - 23 - 4.0/7690=5, 1885/3.6=4...(8) HE2 LYS 32 - HA ASP 100 lone 2 63 - 3 - HE3 LYS 32 - HA ASP 100 lone 2 60 - 3 - Peak 4635 from cnoeabs.peaks (3.12, 4.35, 57.81 ppm; 4.01 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASP 100 + HA ASP 100 OK 100 100 - 100 - 3.0=100 HB3 CYS 76 - HA ASP 100 OK 28 100 - 28 - 3987=6, 1.8/3983=5...(11) HD3 ARG 57 - HA ASP 100 OK 27 99 - 27 - 3.5/7695=5, 3.5/7696=4...(11) HB2 PHE 107 - HA ASP 100 OK 26 100 - 26 - 498/3.6=6, 1270/2.9=3...(11) HD3 ARG 53 - HA ASP 100 lone 7 81 - 8 - 3.0/7695=1 HB3 CYS 52 - HA ASP 100 lone 6 100 - 6 - HD3 ARG 81 - HA ASP 100 lone 6 93 - 6 - Peak 4636 from cnoeabs.peaks (8.22, 2.89, 39.63 ppm; 4.19 A): 1 out of 8 assignments used, quality = 1.00: * H ASP 100 + HB2 ASP 100 OK 100 100 - 100 - 3.8=100 H ASP 100 - HB2 PHE 40 OK 41 99 - 42 - 2.9/4634=9, 3.8/4642=8...(9) H MET 11 - HB2 ASP 100 OK 30 95 - 32 - 4640/1.8=9, 4632/3.0=8...(7) H MET 11 - HB2 PHE 40 lone 8 92 - 9 - 1269=2, 4.6/794=1 H LEU 21 - HB2 ASP 100 lone 8 87 - 9 - 495/4.3=3, 4632/3.0=2 H LEU 21 - HB2 PHE 40 lone 3 84 - 4 - H VAL 49 - HB2 ASP 100 lone 2 63 - 3 - H VAL 49 - HB2 PHE 40 lone 1 61 - 1 - Peak 4637 from cnoeabs.peaks (4.35, 2.89, 39.63 ppm; 3.72 A): 4 out of 16 assignments used, quality = 1.00: * HA ASP 100 + HB2 ASP 100 OK 100 100 - 100 - 3.0=100 HA PHE 40 + HB2 PHE 40 OK 92 92 - 100 - 3.0=100 HA ASP 100 + HB2 PHE 40 OK 56 99 - 57 - 4634=12, 2750/1.8=9...(15) HA PHE 40 + HB2 ASP 100 OK 49 95 - 52 - 2737=12, 3.0/2751=9...(15) HA GLN 105 - HB2 ASP 100 OK 28 63 - 45 - 3.0/7782=8, 3.0/7784=8...(12) HA MET 11 - HB2 ASP 100 OK 26 92 - 28 - 2.9/4636=4, ~4640=4...(13) HA CYS 76 - HB2 ASP 100 OK 17 99 - 17 - 3981/1.8=3, ~3985=2...(8) HB THR 17 - HB2 PHE 40 OK 15 74 - 20 - ~6019=3, 2750/1.8=3...(8) HA CYS 76 - HB2 PHE 40 OK 12 98 - 12 - 4565/2.5=2, 5724/4.0=2...(5) HA MET 11 - HB2 PHE 40 lone 7 90 - 7 - 3.6/794=1, 4.9/1871=1 HA GLN 105 - HB2 PHE 40 lone 5 61 - 8 - 2.9/7783=2, 3.6/1305=2...(4) HB THR 17 - HB2 ASP 100 lone 4 76 - 6 - 4.6/8151=1 HA SER 35 - HB2 PHE 40 lone 3 69 - 5 - 6657/6742=4 HB THR 116 - HB2 ASP 100 lone 2 83 - 3 - HA SER 35 - HB2 ASP 100 lone 2 71 - 3 - 6657/6742=1 HB THR 116 - HB2 PHE 40 lone 1 80 - 1 - Peak 4638 from cnoeabs.peaks (2.89, 2.89, 39.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 100 + HB2 ASP 100 OK 100 100 - 100 HB2 PHE 40 + HB2 PHE 40 OK 99 99 - 100 Peak 4639 from cnoeabs.peaks (3.12, 2.89, 39.63 ppm; 3.55 A): 2 out of 14 assignments used, quality = 1.00: * HB3 ASP 100 + HB2 ASP 100 OK 100 100 - 100 - 1.8=100 HB3 ASP 100 + HB2 PHE 40 OK 54 99 - 55 - 4642=12, ~2751=7...(17) HD3 ARG 57 - HB2 ASP 100 OK 22 99 - 22 - 4635/3.0=3, ~7687=2...(12) HB2 PHE 107 - HB2 ASP 100 OK 21 100 - 21 - 498/4.3=4, 4.0/533=3...(10) HD3 ARG 53 - HB2 PHE 40 OK 21 78 - 27 - 6958/2.5=4, 8290/1.8=4...(12) HB3 CYS 76 - HB2 ASP 100 OK 16 100 - 16 - 3987/3.0=3, 1270/3.8=2...(8) HB3 CYS 76 - HB2 PHE 40 OK 12 99 - 12 - 3987/3.0=2, 7333/4.4=2...(4) HB3 CYS 52 - HB2 PHE 40 lone 6 99 - 6 - ~6943=2, 5613/4.7=2 HD3 ARG 53 - HB2 ASP 100 lone 5 81 - 6 - HD3 ARG 81 - HB2 ASP 100 lone 5 93 - 5 - HB3 CYS 52 - HB2 ASP 100 lone 4 100 - 4 - HB2 PHE 107 - HB2 PHE 40 lone 4 98 - 4 - HD3 ARG 57 - HB2 PHE 40 lone 3 97 - 3 - HD3 ARG 81 - HB2 PHE 40 lone 1 91 - 1 - Peak 4640 from cnoeabs.peaks (8.22, 3.12, 39.63 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 100 + HB3 ASP 100 OK 100 100 - 100 - 3.8=100 H MET 11 - HB3 ASP 100 OK 31 95 - 33 - 4632/3.0=8, 1270=6...(8) H LEU 21 - HB3 ASP 100 lone 8 87 - 9 - 495/4.3=3, 4632/3.0=2 H VAL 49 - HB3 ASP 100 lone 2 63 - 3 - Peak 4641 from cnoeabs.peaks (4.35, 3.12, 39.63 ppm; 4.29 A): 2 out of 8 assignments used, quality = 1.00: * HA ASP 100 + HB3 ASP 100 OK 100 100 - 100 - 3.0=100 HA PHE 40 + HB3 ASP 100 OK 48 95 - 51 - 2737/1.8=12, 3.0/4642=9...(13) HA GLN 105 - HB3 ASP 100 OK 33 63 - 53 - ~7689=9, 3.6/7786=9...(14) HA MET 11 - HB3 ASP 100 OK 29 92 - 31 - 2.9/4640=7, 1838/3.8=4...(11) HA CYS 76 - HB3 ASP 100 OK 25 99 - 26 - 3981=5, 3.0/3985=4...(11) HB THR 17 - HB3 ASP 100 lone 3 76 - 4 - HB THR 116 - HB3 ASP 100 lone 3 83 - 3 - HA SER 35 - HB3 ASP 100 lone 2 71 - 2 - Peak 4642 from cnoeabs.peaks (2.89, 3.12, 39.63 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ASP 100 + HB3 ASP 100 OK 100 100 - 100 - 1.8=100 HB2 PHE 40 + HB3 ASP 100 OK 52 100 - 52 - 4639=9, ~2751=7...(17) HB2 ASN 106 - HB3 ASP 100 OK 38 99 - 38 - 7803=7, 7805/3.0=6...(11) HB3 ASN 12 - HB3 ASP 100 OK 19 97 - 20 - 1885/4.3=3, 4634/3.0=3...(10) HE2 LYS 32 - HB3 ASP 100 lone 1 63 - 2 - HE3 LYS 32 - HB3 ASP 100 lone 1 60 - 2 - Peak 4643 from cnoeabs.peaks (3.12, 3.12, 39.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 100 + HB3 ASP 100 OK 100 100 - 100 Peak 4644 from cnoeabs.peaks (6.97, 4.49, 56.48 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 101 + HA LEU 101 OK 100 100 - 100 - 3.0=100 QE PHE 107 + HA LEU 101 OK 58 89 - 66 - 2.2/4772=16...(15) HD22 ASN 12 - HA LEU 101 OK 31 95 - 33 - 499/3.6=4, 4651/3.0=4...(13) HD22 ASN 108 - HA LEU 101 OK 21 100 - 21 - 499/3.6=3, 4658/3.0=3...(10) Peak 4645 from cnoeabs.peaks (4.49, 4.49, 56.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 101 + HA LEU 101 OK 100 100 - 100 Peak 4646 from cnoeabs.peaks (2.10, 4.49, 56.48 ppm; 4.33 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 101 + HA LEU 101 OK 100 100 - 100 - 3.0=100 HB3 PRO 70 + HA LEU 101 OK 64 100 - 64 - 3817=10, 7257/3.0=9...(22) HG LEU 21 - HA LEU 101 OK 40 89 - 46 - 3.0/4650=7, 2122/4.0=5...(15) HB2 GLU 15 - HA LEU 101 OK 21 95 - 22 - 4660/3.0=3, 501/3.6=3...(10) HB2 LEU 114 - HA LEU 101 OK 15 87 - 17 - 4660/3.0=2, 4681/4.0=2...(7) HB2 ARG 57 - HA LEU 101 OK 12 63 - 19 - 1273/3.0=2, 4674/4.0=2...(6) HG3 GLU 69 - HA LEU 101 OK 11 98 - 11 - 1273/3.0=1, 4660/3.0=1...(5) HB3 GLN 16 - HA LEU 101 OK 10 83 - 12 - 501/3.6=2, 4660/3.0=1...(5) HB2 GLN 16 - HA LEU 101 poor 10 81 - 12 - 501/3.6=2, 4660/3.0=1...(5) HB2 GLN 105 - HA LEU 101 lone 5 76 - 7 - 1273/3.0=2 HG2 GLU 64 - HA LEU 101 lone 2 63 - 4 - Peak 4647 from cnoeabs.peaks (1.44, 4.49, 56.48 ppm; 3.92 A): 2 out of 17 assignments used, quality = 1.00: * HB3 LEU 101 + HA LEU 101 OK 100 100 - 100 - 3.0=100 HB3 LEU 91 + HA LEU 101 OK 50 97 - 52 - 4387=9, 1.8/4380=7...(21) QB ALA 98 - HA LEU 101 OK 34 90 - 38 - ~1728=7, 7566/3.0=6...(14) HD2 LYS 65 - HA LEU 101 OK 31 100 - 31 - 2.9/4649=5, 2.9/4649=5...(14) HD3 LYS 65 - HA LEU 101 OK 31 100 - 31 - 2.9/4649=5, 2.9/4649=5...(14) HB3 LEU 45 - HA LEU 101 OK 27 97 - 28 - 6840/4.0=7, 4682/4.0=3...(12) HB2 LEU 51 - HA LEU 101 OK 23 85 - 27 - ~3083=3, 4682/4.0=2...(14) HB3 GLU 75 - HA LEU 101 OK 19 97 - 20 - 1.8/7319=3, 7318=3...(5) HG3 LYS 31 - HA LEU 101 OK 12 73 - 16 - 4.7/111=2, 3.0/4648=2...(4) HD2 LYS 46 - HA LEU 101 poor 10 85 - 12 - 502/3.6=2, 4675/4.0=2...(4) HG2 LYS 119 - HA LEU 101 poor 9 81 - 11 - 4682/4.0=1 QB ALA 89 - HA LEU 101 lone 8 100 - 8 - 7566/3.0=2 HB2 LEU 93 - HA LEU 101 poor 8 68 - 11 - 3.8/7597=3, 7610/4.0=2 HG3 ARG 57 - HA LEU 101 poor 7 63 - 11 - ~498=1, ~6726=1, 3.0/4646=1 HG LEU 24 - HA LEU 101 lone 7 97 - 7 - QB ALA 14 - HA LEU 101 lone 6 68 - 9 - 6316/3.0=3 QB ALA 122 - HA LEU 101 lone 2 68 - 3 - Peak 4648 from cnoeabs.peaks (1.62, 4.49, 56.48 ppm; 4.32 A): 1 out of 19 assignments used, quality = 1.00: * HG LEU 101 + HA LEU 101 OK 100 100 - 100 - 4.3=100 HG2 PRO 30 - HA LEU 101 OK 33 99 - 34 - 2381=6, 2.3/2367=5...(11) HB3 GLN 42 - HA LEU 101 OK 31 89 - 35 - ~6773=5, ~6779=4...(13) HG LEU 51 - HA LEU 101 OK 29 92 - 32 - 3090/3.0=4, 4676/4.0=4...(12) HD2 LYS 31 - HA LEU 101 OK 22 100 - 22 - 6.0/111=2, 503/3.6=2...(11) HD3 LYS 31 - HA LEU 101 OK 22 100 - 22 - 6.0/111=2, 503/3.6=2...(11) HD2 LYS 32 - HA LEU 101 OK 19 98 - 20 - ~7730=2, ~7729=2...(12) HD3 LYS 32 - HA LEU 101 OK 19 98 - 20 - ~7730=2, ~7729=2...(12) HG2 ARG 53 - HA LEU 101 OK 14 98 - 15 - 4671/4.0=3, 4670/4.0=2...(7) HB3 LYS 32 - HA LEU 101 OK 13 83 - 16 - ~7730=2, ~7729=2...(9) HD3 LYS 119 - HA LEU 101 OK 10 78 - 13 - 8036/4.0=2, 503/3.6=1...(4) HD2 LYS 119 - HA LEU 101 OK 10 76 - 13 - 8036/4.0=2, 503/3.6=1 HG3 ARG 85 - HA LEU 101 poor 10 68 - 14 - ~7503=4, ~7498=3, 7500/3.0=3 HB2 LEU 59 - HA LEU 101 lone 5 100 - 5 - HB ILE 34 - HA LEU 101 lone 4 63 - 6 - 503/3.6=1 HB3 LEU 126 - HA LEU 101 lone 3 90 - 3 - HB2 LEU 126 - HA LEU 101 lone 3 89 - 3 - HG LEU 126 - HA LEU 101 lone 3 73 - 4 - HG12 ILE 63 - HA LEU 101 lone 2 89 - 3 - Peak 4649 from cnoeabs.peaks (0.99, 4.49, 56.48 ppm; 3.44 A): 3 out of 9 assignments used, quality = 0.92: * QD1 LEU 101 + HA LEU 101 OK 84 100 - 84 - 4.0=65, 2.1/4650=17...(14) HG2 LYS 65 + HA LEU 101 OK 27 100 - 27 - 4663/3.0=3, 4656/3.0=3...(12) HG3 LYS 65 + HA LEU 101 OK 27 100 - 27 - 4663/3.0=3, 4656/3.0=3...(12) QD2 LEU 58 - HA LEU 101 OK 14 99 - 14 - 4663/3.0=2, 1276/3.0=2...(7) QG1 VAL 18 - HA LEU 101 OK 12 100 - 12 - 4663/3.0=2, 4656/3.0=2...(6) QD1 LEU 58 - HA LEU 101 OK 12 90 - 13 - 4663/3.0=2, 1276/3.0=2...(6) HB3 LEU 27 - HA LEU 101 OK 11 81 - 13 - 504/3.6=2, 1276/3.0=2...(6) QG2 THR 95 - HA LEU 101 poor 10 97 - 10 - 1276/3.0=2, 7872/7700=1...(4) QG2 ILE 124 - HA LEU 101 lone 6 63 - 10 - 4663/3.0=1, ~8113=1...(4) Peak 4650 from cnoeabs.peaks (1.03, 4.49, 56.48 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.94: * QD2 LEU 101 + HA LEU 101 OK 94 100 - 94 - 4.0=85, 2.1/4673=17...(12) HB3 LEU 21 - HA LEU 101 OK 32 87 - 37 - 4657/3.0=6, 4664/3.0=6...(14) QG1 VAL 120 - HA LEU 101 OK 23 100 - 23 - 4664/3.0=4, 1277/3.0=4...(8) HB3 LEU 27 - HA LEU 101 OK 12 71 - 17 - 505/3.6=3, 1277/3.0=3...(8) QG2 THR 33 - HA LEU 101 lone 4 83 - 5 - Peak 4651 from cnoeabs.peaks (6.97, 2.10, 42.21 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 101 + HB2 LEU 101 OK 100 100 - 100 - 4.0=100 QE PHE 107 + HB2 LEU 101 OK 72 89 - 81 - ~8152=15, 4672/3.1=15...(23) HD22 ASN 12 - HB2 LEU 101 OK 40 95 - 43 - 3.5/6285=8, 3.5/6284=8...(10) HD22 ASN 108 - HB2 LEU 101 OK 24 100 - 23 - 4658/1.8=4, 4644/3.0=4...(8) Peak 4652 from cnoeabs.peaks (4.49, 2.10, 42.21 ppm; 4.79 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 101 + HB2 LEU 101 OK 100 100 - 100 - 3.0=100 HA PRO 70 + HB2 LEU 101 OK 73 99 - 74 - 3805=9, ~7257=9...(24) HA LEU 91 + HB2 LEU 101 OK 55 93 - 59 - 4375/1.8=8, 4673/3.1=7...(22) HA PRO 30 + HB2 LEU 101 OK 45 97 - 47 - 8245/1.8=11, 4673/3.1=6...(14) HA ARG 71 - HB2 LEU 101 OK 42 99 - 43 - 3.0/329=6, 4673/3.1=6...(17) HA SER 90 - HB2 LEU 101 poor 8 63 - 13 - 7571/1.8=2, ~438=1...(4) HA PRO 60 - HB2 LEU 101 lone 6 73 - 8 - HB THR 23 - HB2 LEU 101 lone 3 76 - 4 - Peak 4653 from cnoeabs.peaks (2.10, 2.10, 42.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 101 + HB2 LEU 101 OK 100 100 - 100 Peak 4654 from cnoeabs.peaks (1.44, 2.10, 42.21 ppm; 4.18 A): 3 out of 17 assignments used, quality = 1.00: * HB3 LEU 101 + HB2 LEU 101 OK 100 100 - 100 - 1.8=100 HB3 LEU 91 + HB2 LEU 101 OK 60 97 - 62 - 8364/3.1=8, 4387/3.0=6...(28) HB3 LEU 45 + HB2 LEU 101 OK 54 97 - 56 - 6840/3.1=10, ~8153=7...(22) HB2 LEU 51 - HB2 LEU 101 OK 44 85 - 52 - ~7710=6, ~7711=4...(25) HD2 LYS 65 - HB2 LEU 101 OK 42 100 - 42 - 2.9/4656=4, 2.9/4656=4...(27) HD3 LYS 65 - HB2 LEU 101 OK 42 100 - 42 - 2.9/4656=4, 2.9/4656=4...(27) QB ALA 98 - HB2 LEU 101 OK 30 90 - 33 - 7566/4.0=6, 2.1/6173=5...(13) HB3 GLU 75 - HB2 LEU 101 OK 25 97 - 26 - 7315=4, 7318/3.0=3...(11) HD2 LYS 46 - HB2 LEU 101 OK 20 85 - 23 - 4675/3.1=2, ~6868=2...(10) HG3 LYS 31 - HB2 LEU 101 OK 19 73 - 25 - 4.7/5833=2, ~8445=2...(9) HG2 LYS 119 - HB2 LEU 101 OK 17 81 - 21 - ~8031=2, ~8034=2...(6) HB2 LEU 93 - HB2 LEU 101 OK 12 68 - 17 - ~8445=2, 7610/3.1=2...(6) HG3 ARG 57 - HB2 LEU 101 OK 11 63 - 18 - ~7037=2, 3.6/6173=2 HG LEU 24 - HB2 LEU 101 OK 11 97 - 11 - ~6470=1, ~6465=1...(4) QB ALA 14 - HB2 LEU 101 OK 10 68 - 15 - 6316/4.0=3, 3.7/806=2...(5) QB ALA 89 - HB2 LEU 101 lone 8 100 - 8 - 7566/4.0=1 QB ALA 122 - HB2 LEU 101 lone 3 68 - 4 - Peak 4655 from cnoeabs.peaks (1.62, 2.10, 42.21 ppm; 4.65 A): 3 out of 19 assignments used, quality = 1.00: * HG LEU 101 + HB2 LEU 101 OK 100 100 - 100 - 3.0=100 HG LEU 51 + HB2 LEU 101 OK 58 92 - 63 - ~7710=10, ~7711=8...(24) HG2 PRO 30 + HB2 LEU 101 OK 47 99 - 48 - 8249/3.1=5, 2381/3.0=4...(21) HB3 GLN 42 - HB2 LEU 101 OK 44 89 - 50 - ~6787=7, ~7703=6...(21) HD2 LYS 31 - HB2 LEU 101 OK 35 100 - 34 - 4662/1.8=3, 4676/3.1=2...(16) HD3 LYS 31 - HB2 LEU 101 OK 35 100 - 34 - 4662/1.8=3, 4676/3.1=2...(16) HD2 LYS 32 - HB2 LEU 101 OK 33 98 - 34 - 2.9/7730=4, ~7731=3...(15) HD3 LYS 32 - HB2 LEU 101 OK 33 98 - 34 - 2.9/7730=4, ~7731=3...(15) HG2 ARG 53 - HB2 LEU 101 OK 32 98 - 32 - 4671/3.1=4, 4667=3...(18) HB3 LYS 32 - HB2 LEU 101 OK 26 83 - 31 - 3.0/7730=4, ~7731=3...(12) HD3 LYS 119 - HB2 LEU 101 OK 19 78 - 24 - 8036/3.1=2, ~8036=2...(10) HD2 LYS 119 - HB2 LEU 101 OK 18 76 - 24 - 8036/3.1=2, ~8036=2...(10) HB ILE 34 - HB2 LEU 101 OK 14 63 - 22 - ~8154=4, ~8251=4...(7) HB2 LEU 59 - HB2 LEU 101 lone 8 100 - 8 - ~7713=1 HG3 ARG 85 - HB2 LEU 101 lone 6 68 - 9 - 7500/4.0=3 HB3 LEU 126 - HB2 LEU 101 lone 5 90 - 5 - HB2 LEU 126 - HB2 LEU 101 lone 5 89 - 5 - HG12 ILE 63 - HB2 LEU 101 lone 4 89 - 5 - HG LEU 126 - HB2 LEU 101 lone 4 73 - 5 - Peak 4656 from cnoeabs.peaks (0.99, 2.10, 42.21 ppm; 4.38 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 101 + HB2 LEU 101 OK 100 100 - 100 - 3.1=100 HG2 LYS 65 + HB2 LEU 101 OK 48 100 - 49 - 4663/1.8=6, 4649/3.0=5...(20) HG3 LYS 65 + HB2 LEU 101 OK 48 100 - 49 - 4663/1.8=6, 4649/3.0=5...(20) QD2 LEU 58 - HB2 LEU 101 OK 28 99 - 28 - 4663/1.8=3, 4649/3.0=3...(12) QG1 VAL 18 - HB2 LEU 101 OK 27 100 - 27 - 4663/1.8=3, ~8398=3...(12) QD1 LEU 58 - HB2 LEU 101 OK 26 90 - 29 - 4663/1.8=3, 4649/3.0=2...(13) HB3 LEU 27 - HB2 LEU 101 OK 23 81 - 29 - ~8445=4, 4684/3.1=3...(12) QG2 ILE 124 - HB2 LEU 101 OK 19 63 - 31 - ~8121=7, ~8113=3...(13) QG2 THR 95 - HB2 LEU 101 OK 17 97 - 18 - ~4549=2, 4663/1.8=2...(10) Peak 4657 from cnoeabs.peaks (1.03, 2.10, 42.21 ppm; 4.34 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 101 + HB2 LEU 101 OK 100 100 - 100 - 3.1=100 HB3 LEU 21 + HB2 LEU 101 OK 59 87 - 69 - 4664/1.8=10, 4650/3.0=7...(28) QG1 VAL 120 - HB2 LEU 101 OK 35 100 - 35 - 4664/1.8=7, 4650/3.0=5...(13) HB3 LEU 27 - HB2 LEU 101 OK 22 71 - 31 - ~8445=4, 4664/1.8=4...(12) QG2 THR 33 - HB2 LEU 101 lone 8 83 - 10 - 4664/1.8=1, 6618/3.0=1 Peak 4658 from cnoeabs.peaks (6.97, 1.44, 42.21 ppm; 4.67 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 101 + HB3 LEU 101 OK 100 100 - 100 - 4.0=100 QE PHE 107 + HB3 LEU 101 OK 73 89 - 83 - ~8152=15, 4672/3.1=15...(23) HD22 ASN 12 - HB3 LEU 101 OK 35 95 - 37 - 4651/1.8=7, ~6284=6...(9) HD22 ASN 108 - HB3 LEU 101 OK 23 100 - 23 - 4651/1.8=4, 4644/3.0=4...(7) Peak 4659 from cnoeabs.peaks (4.49, 1.44, 42.21 ppm; 4.73 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 101 + HB3 LEU 101 OK 100 100 - 100 - 3.0=100 HA LEU 91 + HB3 LEU 101 OK 63 93 - 68 - 4375=8, 3.0/4382=7...(27) HA PRO 70 + HB3 LEU 101 OK 62 99 - 63 - 2.3/7257=11, 2.3/7253=10...(17) HA PRO 30 + HB3 LEU 101 OK 49 97 - 51 - 8245=12, 4673/3.1=6...(15) HA ARG 71 - HB3 LEU 101 OK 42 99 - 43 - 4673/3.1=6, 4652/1.8=5...(17) HA SER 90 - HB3 LEU 101 OK 11 63 - 18 - 3.6/1218=4, 3.0/438=2...(5) HA PRO 60 - HB3 LEU 101 lone 6 73 - 7 - HB THR 23 - HB3 LEU 101 lone 4 76 - 5 - Peak 4660 from cnoeabs.peaks (2.10, 1.44, 42.21 ppm; 4.27 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 101 + HB3 LEU 101 OK 100 100 - 100 - 1.8=100 HB3 PRO 70 + HB3 LEU 101 OK 72 100 - 72 - 7257=12, 1.8/7253=9...(29) HG LEU 21 + HB3 LEU 101 OK 53 89 - 60 - 3.0/4664=8, 2.1/8197=7...(22) HB2 GLU 15 - HB3 LEU 101 OK 28 95 - 29 - 3.0/8187=3, ~6320=3...(15) HB2 LEU 114 - HB3 LEU 101 OK 21 87 - 24 - ~7713=3, 4681/3.1=2...(10) HB2 ARG 57 - HB3 LEU 101 OK 15 63 - 25 - ~7037=3, 4674/3.1=2...(9) HB3 GLN 16 - HB3 LEU 101 OK 14 83 - 17 - ~7701=2, 501/4.6=1...(6) HB2 GLN 16 - HB3 LEU 101 OK 14 81 - 17 - ~7701=2, 501/4.6=1...(6) HG3 GLU 69 - HB3 LEU 101 OK 13 98 - 14 - 4681/3.1=1, ~8444=1...(4) HB2 GLN 105 - HB3 LEU 101 lone 5 76 - 6 - 1273/4.0=1 HG2 GLU 64 - HB3 LEU 101 lone 2 63 - 3 - Peak 4661 from cnoeabs.peaks (1.44, 1.44, 42.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 101 + HB3 LEU 101 OK 100 100 - 100 Peak 4662 from cnoeabs.peaks (1.62, 1.44, 42.21 ppm; 4.57 A): 3 out of 19 assignments used, quality = 1.00: * HG LEU 101 + HB3 LEU 101 OK 100 100 - 100 - 3.0=100 HG LEU 51 + HB3 LEU 101 OK 61 92 - 66 - ~7710=10, ~7711=7...(27) HG2 PRO 30 + HB3 LEU 101 OK 49 99 - 49 - 3.8/8245=7, 8249/3.1=5...(21) HB3 GLN 42 - HB3 LEU 101 OK 44 89 - 50 - ~6787=6, ~7703=5...(22) HD2 LYS 31 - HB3 LEU 101 OK 35 100 - 34 - 4655/1.8=3, 6.0/5834=2...(15) HD3 LYS 31 - HB3 LEU 101 OK 35 100 - 34 - 4655/1.8=3, 6.0/5834=2...(15) HD2 LYS 32 - HB3 LEU 101 OK 33 98 - 34 - 2.9/7731=4, ~7730=3...(15) HD3 LYS 32 - HB3 LEU 101 OK 33 98 - 34 - 2.9/7731=4, ~7730=3...(15) HG2 ARG 53 - HB3 LEU 101 OK 31 98 - 31 - 4671/3.1=4, 4667/1.8=3...(18) HB3 LYS 32 - HB3 LEU 101 OK 26 83 - 31 - 3.0/7731=4, ~7730=3...(12) HD3 LYS 119 - HB3 LEU 101 OK 20 78 - 25 - 8036/3.1=2, ~8036=2...(9) HD2 LYS 119 - HB3 LEU 101 OK 19 76 - 25 - 8036/3.1=2, ~8036=2...(8) HB ILE 34 - HB3 LEU 101 OK 14 63 - 23 - ~8251=4, ~8154=4...(7) HB2 LEU 59 - HB3 LEU 101 lone 8 100 - 8 - ~7713=1 HG3 ARG 85 - HB3 LEU 101 poor 8 68 - 11 - 7500/4.0=3 HB3 LEU 126 - HB3 LEU 101 lone 5 90 - 5 - HB2 LEU 126 - HB3 LEU 101 lone 5 89 - 5 - HG12 ILE 63 - HB3 LEU 101 lone 4 89 - 5 - HG LEU 126 - HB3 LEU 101 lone 4 73 - 5 - Peak 4663 from cnoeabs.peaks (0.99, 1.44, 42.21 ppm; 4.23 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 101 + HB3 LEU 101 OK 100 100 - 100 - 3.1=100 HG2 LYS 65 + HB3 LEU 101 OK 46 100 - 46 - 4656/1.8=5, 4649/3.0=5...(21) HG3 LYS 65 + HB3 LEU 101 OK 46 100 - 46 - 4656/1.8=5, 4649/3.0=5...(21) QD2 LEU 58 - HB3 LEU 101 OK 27 99 - 28 - 4656/1.8=3, 4649/3.0=3...(10) QG1 VAL 18 - HB3 LEU 101 OK 26 100 - 26 - 2.1/8398=4, 4656/1.8=3...(12) QD1 LEU 58 - HB3 LEU 101 OK 25 90 - 28 - 4656/1.8=3, 4649/3.0=2...(12) HB3 LEU 27 - HB3 LEU 101 OK 24 81 - 30 - ~8445=4, 4684/3.1=3...(13) QG2 ILE 124 - HB3 LEU 101 OK 20 63 - 32 - ~8121=6, 2.1/8113=3...(14) QG2 THR 95 - HB3 LEU 101 OK 17 97 - 18 - ~4549=2, 1276/4.0=2...(10) Peak 4664 from cnoeabs.peaks (1.03, 1.44, 42.21 ppm; 4.24 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 101 + HB3 LEU 101 OK 100 100 - 100 - 3.1=100 HB3 LEU 21 + HB3 LEU 101 OK 55 87 - 63 - 4657/1.8=10, 4650/3.0=7...(25) QG1 VAL 120 - HB3 LEU 101 OK 36 100 - 36 - 4657/1.8=6, 4650/3.0=5...(12) HB3 LEU 27 - HB3 LEU 101 OK 22 71 - 32 - ~8445=4, 4657/1.8=4...(13) QG2 THR 33 - HB3 LEU 101 lone 8 83 - 9 - 4657/1.8=1, 6618/3.0=1 Peak 4665 from cnoeabs.peaks (6.97, 1.62, 27.50 ppm; 5.06 A): 2 out of 12 assignments used, quality = 1.00: * H LEU 101 + HG LEU 101 OK 100 100 - 100 - 4.9=100 QE PHE 107 + HG LEU 101 OK 74 89 - 83 - ~8152=22, 4672/2.1=17...(17) QE PHE 107 - HB3 GLN 42 OK 33 35 - 94 - 6773/1.8=23, 4784/3.0=20...(25) HD22 ASN 12 - HG LEU 101 OK 33 95 - 35 - 4651/3.0=6, 4679/2.1=6...(8) QE PHE 107 - HG2 ARG 53 OK 29 82 - 35 - 6.5/5617=5, ~4774=3...(14) H LEU 101 - HB3 GLN 42 OK 23 46 - 51 - 6773/1.8=11, 6779/3.0=10...(12) HD22 ASN 108 - HG LEU 101 OK 22 100 - 22 - 4679/2.1=4, 4672/2.1=4...(5) H LEU 101 - HG2 ARG 53 OK 19 97 - 19 - 4.7/4671=3, 1275=2...(9) HD22 ASN 108 - HB3 GLN 42 OK 12 45 - 26 - 6773/1.8=6, 6770/4.0=5...(5) HD22 ASN 108 - HG2 ARG 53 lone 3 96 - 3 - HD22 ASN 12 - HG2 ARG 53 lone 2 89 - 3 - HD22 ASN 12 - HB3 GLN 42 lone 2 39 - 5 - Peak 4666 from cnoeabs.peaks (4.49, 1.62, 27.50 ppm; 5.14 A): 4 out of 24 assignments used, quality = 1.00: * HA LEU 101 + HG LEU 101 OK 100 100 - 100 - 4.3=100 HA PRO 70 + HG LEU 101 OK 60 99 - 61 - 4652/3.0=8, 4673/2.1=8...(15) HA LEU 91 + HG LEU 101 OK 54 93 - 58 - ~8364=9, 4680/2.1=8...(16) HA PRO 30 + HG LEU 101 OK 48 97 - 49 - 8245/3.0=10, 4680/2.1=6...(15) HA ARG 71 - HG LEU 101 OK 41 99 - 41 - 4673/2.1=6, 4680/2.1=6...(15) HA ARG 71 - HG2 ARG 53 OK 35 94 - 37 - 3845/3.0=7, 4.7/3151=4...(15) HA LEU 101 - HB3 GLN 42 OK 20 46 - 44 - ~6773=7, ~6779=6...(12) HA LEU 101 - HG2 ARG 53 OK 19 97 - 20 - 4.0/4671=4, 4.0/4670=3...(8) HA PRO 60 - HG2 ARG 53 OK 14 67 - 21 - 3.8/3148=2, ~3134=2...(10) HA ARG 71 - HB3 GLN 42 OK 13 43 - 31 - 3844/3.0=7, ~3860=4...(10) HA PRO 70 - HG2 ARG 53 OK 12 94 - 12 - 2.3/4667=2, 3.6/8446=1...(5) HA PRO 30 - HG2 ARG 53 OK 11 92 - 11 - 3.6/5835=1, 2.3/2370=1 HA PRO 30 - HB3 GLN 42 poor 10 42 - 23 - 2.3/2370=2, ~6788=2...(10) HA LEU 91 - HG2 ARG 53 lone 8 87 - 9 - 4374/3.0=1 HA SER 90 - HG LEU 101 poor 6 63 - 10 - 7571/3.0=1, ~7577=1...(4) HA PRO 60 - HG LEU 101 lone 5 73 - 7 - HA PRO 70 - HB3 GLN 42 lone 3 43 - 7 - ~7258=1 HB THR 23 - HG LEU 101 lone 3 76 - 3 - HA LEU 91 - HB3 GLN 42 lone 2 38 - 5 - HA SER 90 - HG2 ARG 53 lone 2 57 - 3 - HB THR 23 - HB3 GLN 42 lone 1 29 - 4 - HB THR 23 - HG2 ARG 53 lone 1 70 - 1 - HA PRO 60 - HB3 GLN 42 lone 1 27 - 2 - HA SER 90 - HB3 GLN 42 lone 0 23 - 2 - Peak 4667 from cnoeabs.peaks (2.10, 1.62, 27.50 ppm; 4.35 A): 3 out of 33 assignments used, quality = 1.00: * HB2 LEU 101 + HG LEU 101 OK 100 100 - 100 - 3.0=100 HB3 PRO 70 + HG LEU 101 OK 61 100 - 61 - 7257/3.0=9, 4681/2.1=8...(21) HG LEU 21 + HG LEU 101 OK 53 89 - 60 - 2122/2.1=8, 4674/2.1=6...(21) HB2 LEU 101 - HG2 ARG 53 OK 28 97 - 29 - 3.1/4671=3, 3.1/4670=2...(16) HB2 GLU 15 - HG LEU 101 OK 23 95 - 24 - ~6320=4, 4674/2.1=3...(10) HB2 LEU 101 - HB3 GLN 42 OK 21 46 - 45 - ~6787=6, ~7703=5...(20) HB2 LEU 114 - HG LEU 101 OK 18 87 - 21 - ~7713=4, 4681/2.1=3...(8) HB3 PRO 70 - HG2 ARG 53 OK 17 96 - 17 - 2.3/3148=2, 3821/3.0=1...(6) HB2 ARG 57 - HG LEU 101 OK 15 63 - 23 - ~7037=3, 4674/2.1=2...(8) HB2 ARG 57 - HG2 ARG 53 OK 14 57 - 24 - 1.8/3150=2, ~3134=2...(11) HB3 GLN 16 - HG LEU 101 OK 13 83 - 16 - ~7701=2, 3.0/8447=2...(7) HB2 GLN 16 - HG LEU 101 OK 13 81 - 16 - ~7701=2, 3.0/8447=2...(7) HG3 GLU 69 - HG LEU 101 OK 13 98 - 13 - 4681/2.1=2, ~8444=2...(4) HG LEU 21 - HG2 ARG 53 lone 7 82 - 8 - 4.3/8291=4, 3.0/4671=2 HG3 GLU 69 - HG2 ARG 53 lone 5 93 - 5 - HB3 PRO 70 - HB3 GLN 42 poor 5 45 - 10 - ~6013=2, 7258/1.8=1, ~7262=1 HG LEU 21 - HB3 GLN 42 poor 4 35 - 11 - ~6786=3, ~6414=1...(4) HB2 GLN 105 - HG LEU 101 lone 4 76 - 5 - 1273/4.9=1 HB2 GLN 105 - HG2 ARG 53 lone 3 70 - 5 - HB2 LEU 114 - HG2 ARG 53 lone 2 81 - 3 - HG2 GLU 64 - HG LEU 101 lone 2 63 - 3 - HB2 GLU 15 - HG2 ARG 53 lone 2 89 - 2 - HB3 GLN 16 - HG2 ARG 53 lone 1 77 - 2 - HB2 GLN 16 - HG2 ARG 53 lone 1 74 - 2 - HG2 GLU 64 - HG2 ARG 53 lone 1 57 - 2 - HB2 LEU 114 - HB3 GLN 42 lone 1 34 - 2 - HB2 GLU 15 - HB3 GLN 42 lone 1 39 - 2 - HG3 GLU 69 - HB3 GLN 42 lone 1 42 - 1 - HB2 ARG 57 - HB3 GLN 42 lone 0 23 - 2 - HB3 GLN 16 - HB3 GLN 42 lone 0 32 - 1 - HB2 GLN 16 - HB3 GLN 42 lone 0 31 - 1 - HB2 GLN 105 - HB3 GLN 42 lone 0 29 - 1 - HG2 GLU 64 - HB3 GLN 42 lone 0 23 - 1 - Peak 4668 from cnoeabs.peaks (1.44, 1.62, 27.50 ppm; 4.02 A): 4 out of 51 assignments used, quality = 1.00: * HB3 LEU 101 + HG LEU 101 OK 100 100 - 100 - 3.0=100 HB3 LEU 45 + HG LEU 101 OK 56 97 - 58 - 6840/2.1=11, ~8153=8...(21) HB3 LEU 91 + HG LEU 101 OK 53 97 - 54 - 8364/2.1=9, ~8362=6...(23) HB2 LEU 51 + HG LEU 101 OK 46 85 - 54 - ~7710=8, ~7711=6...(25) HD2 LYS 65 - HG LEU 101 OK 36 100 - 36 - 4682/2.1=3, 4675/2.1=3...(19) HD3 LYS 65 - HG LEU 101 OK 36 100 - 36 - 4682/2.1=3, 4675/2.1=3...(19) HB3 LEU 101 - HG2 ARG 53 OK 24 97 - 25 - 3.1/4671=3, 3.1/4670=2...(12) HD2 LYS 46 - HG LEU 101 OK 23 85 - 27 - 5.2/8446=3, 4675/2.1=2...(11) QB ALA 98 - HG LEU 101 OK 21 90 - 23 - 7566/4.9=5, ~7717=3...(10) HB2 LEU 51 - HG2 ARG 53 OK 20 79 - 25 - 3.1/6966=3, ~6967=3...(13) HB3 LEU 101 - HB3 GLN 42 OK 19 46 - 41 - ~6787=5, ~7703=4...(18) HG2 LYS 119 - HG LEU 101 OK 17 81 - 20 - ~8031=3, ~8034=2...(6) HG3 LYS 31 - HG LEU 101 OK 16 73 - 22 - ~8445=2, 4.7/5835=2...(10) HB3 LEU 45 - HB3 GLN 42 OK 16 41 - 39 - ~6032=8, ~6786=5...(13) HB3 GLU 75 - HG LEU 101 OK 15 97 - 15 - 7315/3.0=3, 7318/4.3=2...(5) HD2 LYS 46 - HG2 ARG 53 OK 13 79 - 17 - 5.2/6860=1, 3.5/3148=1 HD2 LYS 46 - HB3 GLN 42 OK 13 33 - 38 - 8624/4.4=14, 6033/3.0=3...(15) HB2 LEU 93 - HG LEU 101 OK 12 68 - 17 - ~8445=3, 7610/2.1=2...(6) HG3 LYS 31 - HG2 ARG 53 OK 12 67 - 17 - 1.8/2431=1, 2.9/2421=1...(4) HG3 ARG 57 - HG2 ARG 53 OK 11 57 - 20 - 3.0/3150=2, 3326/1.8=1...(7) HG LEU 24 - HG LEU 101 lone 10 97 - 10 - ~6470=2, ~6465=1, 4675/2.1=1 HG3 ARG 57 - HG LEU 101 poor 9 63 - 14 - ~7037=2 HB3 LEU 91 - HG2 ARG 53 lone 8 92 - 8 - 4388/3.0=1 QB ALA 14 - HG LEU 101 poor 7 68 - 11 - 6316/4.9=2, ~7701=2 QB ALA 89 - HG LEU 101 lone 7 100 - 7 - 7566/4.9=1 HB2 LEU 51 - HB3 GLN 42 poor 6 33 - 18 - ~6936=3, 6937/3.0=3...(8) HB3 LEU 45 - HG2 ARG 53 lone 5 91 - 6 - HB3 GLU 75 - HG2 ARG 53 lone 5 91 - 5 - HB3 GLU 75 - HB3 GLN 42 poor 5 41 - 11 - ~6013=2, 6033/3.0=2, 3962/3.0=1 HB2 LEU 93 - HG2 ARG 53 lone 4 62 - 6 - 4.4/3145=2, 5802/5.0=2 HD2 LYS 65 - HB3 GLN 42 lone 4 45 - 8 - 6033/3.0=1, ~6787=1 HD3 LYS 65 - HB3 GLN 42 lone 4 45 - 8 - 6033/3.0=1, ~6787=1 HG2 LYS 119 - HG2 ARG 53 lone 3 74 - 4 - QB ALA 89 - HG2 ARG 53 lone 3 97 - 3 - HG LEU 24 - HG2 ARG 53 lone 3 91 - 3 - QB ALA 14 - HB3 GLN 42 poor 3 25 - 10 - 6304/1.8=2, ~6297=2, 6033/3.0=1 QB ALA 122 - HG LEU 101 lone 3 68 - 4 - QB ALA 98 - HG2 ARG 53 lone 2 84 - 3 - HG LEU 24 - HB3 GLN 42 lone 2 41 - 4 - ~6786=1 HD3 LYS 65 - HG2 ARG 53 lone 2 96 - 2 - HD2 LYS 65 - HG2 ARG 53 lone 2 96 - 2 - HB3 LEU 91 - HB3 GLN 42 lone 2 42 - 4 - HG3 LYS 31 - HB3 GLN 42 lone 2 27 - 5 - QB ALA 14 - HG2 ARG 53 lone 1 62 - 2 - HG2 LYS 119 - HB3 GLN 42 lone 1 31 - 4 - QB ALA 98 - HB3 GLN 42 lone 1 36 - 3 - 8361/3.0=1 QB ALA 89 - HB3 GLN 42 lone 1 45 - 2 - QB ALA 122 - HG2 ARG 53 lone 1 62 - 1 - HB2 LEU 93 - HB3 GLN 42 lone 1 25 - 2 - HG3 ARG 57 - HB3 GLN 42 lone 1 23 - 2 - QB ALA 122 - HB3 GLN 42 lone 0 25 - 1 - Peak 4669 from cnoeabs.peaks (1.62, 1.62, 27.50 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG LEU 101 + HG LEU 101 OK 100 100 - 100 HG2 ARG 53 + HG2 ARG 53 OK 93 93 - 100 HB3 GLN 42 - HB3 GLN 42 OK 35 35 - 100 Peak 4670 from cnoeabs.peaks (0.99, 1.62, 27.50 ppm; 3.57 A): 1 out of 27 assignments used, quality = 1.00: * QD1 LEU 101 + HG LEU 101 OK 100 100 - 100 - 2.1=100 HG3 LYS 65 - HG LEU 101 OK 31 100 - 31 - 4684/2.1=4, 4663/3.0=3...(12) HG2 LYS 65 - HG LEU 101 OK 31 100 - 31 - 4684/2.1=4, 4663/3.0=3...(12) QD1 LEU 101 - HG2 ARG 53 OK 26 97 - 26 - 2.1/4671=3, 4676=3...(13) QD1 LEU 101 - HB3 GLN 42 OK 24 46 - 53 - 7723/4.4=15, 6787/3.0=9...(20) QD2 LEU 58 - HG LEU 101 OK 20 99 - 20 - 6368=3, 4684/2.1=2...(7) QG1 VAL 18 - HG LEU 101 OK 19 100 - 19 - 6368=2, 4684/2.1=2...(10) HB3 LEU 27 - HG LEU 101 OK 17 81 - 21 - ~8445=4, 4684/2.1=3...(10) QD1 LEU 58 - HG LEU 101 OK 17 90 - 19 - 4684/2.1=2, 2.1/6368=2...(8) QG2 ILE 124 - HG LEU 101 OK 14 63 - 23 - ~8121=6, ~7717=2...(9) HB3 LEU 27 - HB3 GLN 42 OK 13 31 - 43 - 6787/3.0=5, 6801/3.0=4...(24) QG2 THR 95 - HG LEU 101 OK 11 97 - 11 - ~4549=2, 4684/2.1=2...(7) QG1 VAL 18 - HB3 GLN 42 poor 7 45 - 15 - 6787/3.0=2, 6366/1.8=1...(10) QG2 THR 95 - HG2 ARG 53 lone 7 91 - 7 - 2.1/3146=1 QD2 LEU 58 - HB3 GLN 42 poor 6 43 - 13 - 6787/3.0=2, 6368=2...(7) HB3 LEU 27 - HG2 ARG 53 lone 5 74 - 6 - HG2 LYS 65 - HB3 GLN 42 poor 4 45 - 10 - 6787/3.0=2, 6789/4.4=1...(4) HG3 LYS 65 - HB3 GLN 42 poor 4 45 - 10 - 6787/3.0=2, 6789/4.4=1...(4) QD1 LEU 58 - HB3 GLN 42 poor 4 36 - 12 - 7061/3.0=1, 6789/4.4=1...(6) QG1 VAL 18 - HG2 ARG 53 lone 4 97 - 4 - QD2 LEU 58 - HG2 ARG 53 lone 4 94 - 4 - QD1 LEU 58 - HG2 ARG 53 lone 3 84 - 3 - HG2 LYS 65 - HG2 ARG 53 lone 1 96 - 1 - HG3 LYS 65 - HG2 ARG 53 lone 1 96 - 1 - QG2 THR 95 - HB3 GLN 42 lone 1 41 - 3 - QG2 ILE 124 - HG2 ARG 53 lone 1 57 - 1 - QG2 ILE 124 - HB3 GLN 42 lone 1 23 - 3 - 6787/3.0=1 Peak 4671 from cnoeabs.peaks (1.03, 1.62, 27.50 ppm; 3.63 A): 1 out of 15 assignments used, quality = 1.00: * QD2 LEU 101 + HG LEU 101 OK 100 100 - 100 - 2.1=100 HB3 LEU 21 - HG LEU 101 OK 43 87 - 50 - 4678/2.1=7, 4657/3.0=6...(23) QD2 LEU 101 - HG2 ARG 53 OK 25 97 - 26 - 4683=3, 2.1/4670=2...(13) QG1 VAL 120 - HG LEU 101 OK 23 100 - 23 - 4664/3.0=4, 4678/2.1=4...(9) QD2 LEU 101 - HB3 GLN 42 OK 18 46 - 40 - ~6787=5, 2.1/4676=4...(19) HB3 LEU 27 - HG LEU 101 OK 16 71 - 23 - ~8445=4, 4678/2.1=3...(10) HB3 LEU 21 - HG2 ARG 53 OK 15 81 - 19 - ~8288=4, 3.0/8291=3...(6) HB3 LEU 27 - HB3 GLN 42 poor 9 26 - 35 - 6801/3.0=3, 2282/1.8=3...(22) QG2 THR 33 - HG LEU 101 lone 7 83 - 8 - 6618=1 QG1 VAL 120 - HG2 ARG 53 lone 4 97 - 4 - HB3 LEU 27 - HG2 ARG 53 lone 4 65 - 6 - QG2 THR 33 - HG2 ARG 53 lone 3 77 - 4 - HB3 LEU 21 - HB3 GLN 42 lone 3 34 - 8 - ~6786=1 QG2 THR 33 - HB3 GLN 42 lone 1 32 - 4 - QG1 VAL 120 - HB3 GLN 42 lone 1 45 - 2 - Peak 4672 from cnoeabs.peaks (6.97, 0.99, 22.75 ppm; 3.46 A): 4 out of 4 assignments used, quality = 0.94: * H LEU 101 + QD1 LEU 101 OK 77 100 - 77 - 4.7=39, 1277/2.1=15...(14) QE PHE 107 + QD1 LEU 101 OK 61 89 - 69 - 2.2/8152=19, 4794=14...(19) HD22 ASN 12 + QD1 LEU 101 OK 19 95 - 20 - 4679/2.1=3, 4651/3.1=3...(9) HD22 ASN 108 + QD1 LEU 101 OK 15 100 - 15 - 4679/2.1=2, 4658/3.1=2...(5) Peak 4673 from cnoeabs.peaks (4.49, 0.99, 22.75 ppm; 3.14 A): 5 out of 8 assignments used, quality = 0.92: * HA LEU 101 + QD1 LEU 101 OK 74 100 - 74 - 4.0=49, 4650/2.1=14...(13) HA PRO 70 + QD1 LEU 101 OK 29 99 - 30 - 2.3/4674=4, 3805/3.1=3...(14) HA LEU 91 + QD1 LEU 101 OK 27 93 - 29 - 4375/3.1=3, ~8364=3...(13) HA ARG 71 + QD1 LEU 101 OK 23 99 - 23 - 4680/2.1=2, 3.0/7704=2...(10) HA PRO 30 + QD1 LEU 101 OK 23 97 - 23 - 8245/3.1=4, 4680/2.1=2...(11) HA SER 90 - QD1 LEU 101 lone 3 63 - 4 - HA PRO 60 - QD1 LEU 101 lone 2 73 - 3 - HB THR 23 - QD1 LEU 101 lone 1 76 - 1 - Peak 4674 from cnoeabs.peaks (2.10, 0.99, 22.75 ppm; 3.95 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 101 + QD1 LEU 101 OK 100 100 - 100 - 3.1=100 HB3 PRO 70 + QD1 LEU 101 OK 56 100 - 57 - 7257/3.1=7, 2.3/4673=7...(23) HG LEU 21 + QD1 LEU 101 OK 49 89 - 55 - 2122/2.1=6, 3.0/4678=6...(22) HB2 GLU 15 - QD1 LEU 101 OK 23 95 - 24 - 3.0/6320=5, 4681/2.1=2...(10) HB2 LEU 114 - QD1 LEU 101 OK 20 87 - 23 - ~7713=3, 4681/2.1=2...(8) HB2 ARG 57 - QD1 LEU 101 OK 17 63 - 27 - 1.8/7037=3, 3.7/7031=3...(10) HB3 GLN 16 - QD1 LEU 101 OK 13 83 - 15 - 3.0/7701=3, 4681/2.1=1...(5) HB2 GLN 16 - QD1 LEU 101 OK 12 81 - 15 - 3.0/7701=3, 4681/2.1=1...(5) HG3 GLU 69 - QD1 LEU 101 OK 12 98 - 12 - 4681/2.1=2, ~8444=1, 4660/3.1=1 HB2 GLN 105 - QD1 LEU 101 lone 4 76 - 5 - 1273/4.7=1 HG2 GLU 64 - QD1 LEU 101 lone 2 63 - 4 - Peak 4675 from cnoeabs.peaks (1.44, 0.99, 22.75 ppm; 3.29 A): 2 out of 17 assignments used, quality = 1.00: * HB3 LEU 101 + QD1 LEU 101 OK 100 100 - 100 - 3.1=100 HB3 LEU 45 + QD1 LEU 101 OK 56 97 - 58 - 6840=9, 3.1/8154=8...(19) HB3 LEU 91 - QD1 LEU 101 OK 41 97 - 43 - 8364/2.1=5, 3.0/4673=4...(19) HB2 LEU 51 - QD1 LEU 101 OK 36 85 - 42 - 3.1/7707=6, 3.1/7708=5...(18) HD2 LYS 65 - QD1 LEU 101 OK 28 100 - 28 - 3634=2, 4682/2.1=2...(13) HD3 LYS 65 - QD1 LEU 101 OK 28 100 - 28 - 3625=2, 4682/2.1=2...(13) HD2 LYS 46 - QD1 LEU 101 OK 24 85 - 28 - 5.7/7721=5, 8624/7723=4...(7) QB ALA 98 - QD1 LEU 101 OK 21 90 - 23 - 7566/4.7=3, 7655/4.9=2...(7) HG3 LYS 31 - QD1 LEU 101 OK 13 73 - 18 - 1.8/8445=3, 3.0/4676=1...(6) HB3 GLU 75 - QD1 LEU 101 OK 13 97 - 14 - 7315/3.1=2, 7318/4.0=1 HG2 LYS 119 - QD1 LEU 101 OK 13 81 - 16 - ~8031=2, ~8034=1...(4) HB2 LEU 93 - QD1 LEU 101 OK 12 68 - 18 - 3.8/8743=4, 1.8/8445=3...(6) HG LEU 24 - QD1 LEU 101 OK 11 97 - 11 - 2.1/6470=2, 2.1/6465=2 HG3 ARG 57 - QD1 LEU 101 poor 9 63 - 14 - 3.0/7037=2, 5.1/7031=2...(4) QB ALA 89 - QD1 LEU 101 lone 7 100 - 7 - QB ALA 14 - QD1 LEU 101 lone 7 68 - 10 - 2.1/7701=2, 6316/4.7=2 QB ALA 122 - QD1 LEU 101 lone 2 68 - 4 - Peak 4676 from cnoeabs.peaks (1.62, 0.99, 22.75 ppm; 3.18 A): 1 out of 19 assignments used, quality = 1.00: * HG LEU 101 + QD1 LEU 101 OK 100 100 - 100 - 2.1=100 HG LEU 51 - QD1 LEU 101 OK 41 92 - 45 - 2.1/7707=7, 2.1/7708=7...(18) HB3 GLN 42 - QD1 LEU 101 OK 39 89 - 44 - 4.4/7723=11, 3.0/6787=7...(16) HG2 PRO 30 - QD1 LEU 101 OK 25 99 - 25 - 8249/2.1=3, 3.8/4673=2...(10) HG2 ARG 53 - QD1 LEU 101 OK 21 98 - 21 - 4671/2.1=2, 4670=2...(7) HD3 LYS 31 - QD1 LEU 101 OK 18 100 - 18 - 3.0/8445=2, 4683/2.1=1 HD2 LYS 31 - QD1 LEU 101 OK 18 100 - 18 - 3.0/8445=2, 4683/2.1=1 HD3 LYS 32 - QD1 LEU 101 OK 17 98 - 17 - 2.9/7706=2, 4683/2.1=2...(4) HD2 LYS 32 - QD1 LEU 101 OK 17 98 - 17 - 2.9/7706=2, 4683/2.1=2...(4) HB3 LYS 32 - QD1 LEU 101 OK 14 83 - 16 - 3.0/7706=2, 4683/2.1=1, ~7714=1 HB ILE 34 - QD1 LEU 101 OK 10 63 - 17 - 2.9/8154=3, 3.2/6651=3...(4) HD3 LYS 119 - QD1 LEU 101 poor 9 78 - 12 - 8036/2.1=1, ~8036=1, ~8039=1 HD2 LYS 119 - QD1 LEU 101 poor 9 76 - 12 - 8036/2.1=1, ~8036=1, ~8039=1 HB2 LEU 59 - QD1 LEU 101 lone 6 100 - 6 - HG3 ARG 85 - QD1 LEU 101 lone 4 68 - 5 - HG12 ILE 63 - QD1 LEU 101 lone 2 89 - 3 - HB3 LEU 126 - QD1 LEU 101 lone 2 90 - 2 - HB2 LEU 126 - QD1 LEU 101 lone 2 89 - 2 - HG LEU 126 - QD1 LEU 101 lone 2 73 - 2 - Peak 4677 from cnoeabs.peaks (0.99, 0.99, 22.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 101 + QD1 LEU 101 OK 100 100 - 100 Peak 4678 from cnoeabs.peaks (1.03, 0.99, 22.75 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 101 + QD1 LEU 101 OK 100 100 - 100 - 2.1=100 HB3 LEU 21 - QD1 LEU 101 OK 21 87 - 24 - 4671/2.1=2, 4657/3.1=2...(10) QG1 VAL 120 - QD1 LEU 101 OK 11 100 - 11 - 4664/3.1=1, 4657/3.1=1...(4) HB3 LEU 27 - QD1 LEU 101 OK 11 71 - 15 - 1.8/8445=2, 4.0/7722=1 QG2 THR 33 - QD1 LEU 101 lone 2 83 - 3 - Peak 4679 from cnoeabs.peaks (6.97, 1.03, 27.12 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 101 + QD2 LEU 101 OK 96 100 - 96 - 4.7=80, 3.0/4650=21...(14) QE PHE 107 + QD2 LEU 101 OK 69 89 - 78 - ~8152=17, 4672/2.1=16...(21) HD22 ASN 12 - QD2 LEU 101 OK 29 95 - 30 - 4672/2.1=5, 4651/3.1=5...(9) HD22 ASN 108 - QD2 LEU 101 OK 21 100 - 21 - 4672/2.1=4, 4658/3.1=3...(8) Peak 4680 from cnoeabs.peaks (4.49, 1.03, 27.12 ppm; 4.51 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 101 + QD2 LEU 101 OK 100 100 - 100 - 4.0=100 HA PRO 70 + QD2 LEU 101 OK 54 99 - 55 - 4673/2.1=8, 2.3/4681=8...(15) HA LEU 91 + QD2 LEU 101 OK 54 93 - 58 - 3.0/8364=10, 3.0/8362=9...(19) HA PRO 30 - QD2 LEU 101 OK 44 97 - 45 - 8245/3.1=8, 4673/2.1=6...(14) HA ARG 71 - QD2 LEU 101 OK 38 99 - 39 - 4673/2.1=6, 4659/3.1=4...(15) HA SER 90 - QD2 LEU 101 poor 6 63 - 10 - 7571/3.1=1 HA PRO 60 - QD2 LEU 101 lone 4 73 - 6 - HB THR 23 - QD2 LEU 101 lone 2 76 - 3 - Peak 4681 from cnoeabs.peaks (2.10, 1.03, 27.12 ppm; 3.81 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 101 + QD2 LEU 101 OK 100 100 - 100 - 3.1=100 HB3 PRO 70 + QD2 LEU 101 OK 53 100 - 53 - 7257/3.1=7, 4674/2.1=6...(23) HG LEU 21 + QD2 LEU 101 OK 49 89 - 56 - 2.1/2136=7, 2.1/2129=7...(23) HB2 GLU 15 - QD2 LEU 101 OK 20 95 - 21 - ~6320=3, 4674/2.1=2...(9) HB2 LEU 114 - QD2 LEU 101 OK 19 87 - 22 - 3.1/7713=5, 4674/2.1=2...(6) HB2 ARG 57 - QD2 LEU 101 OK 13 63 - 21 - ~7037=2, 4674/2.1=2...(5) HG3 GLU 69 - QD2 LEU 101 OK 12 98 - 13 - 1.8/8444=2, 4674/2.1=1 HB3 GLN 16 - QD2 LEU 101 OK 11 83 - 13 - ~7701=2, 4674/2.1=1...(4) HB2 GLN 16 - QD2 LEU 101 OK 11 81 - 13 - ~7701=2, 4674/2.1=1, 501/4.9=1 HB2 GLN 105 - QD2 LEU 101 lone 3 76 - 5 - HG2 GLU 64 - QD2 LEU 101 lone 2 63 - 4 - Peak 4682 from cnoeabs.peaks (1.44, 1.03, 27.12 ppm; 3.43 A): 3 out of 17 assignments used, quality = 1.00: * HB3 LEU 101 + QD2 LEU 101 OK 100 100 - 100 - 3.1=100 HB3 LEU 45 + QD2 LEU 101 OK 50 97 - 52 - 3.1/8153=10, 6840/2.1=9...(19) HB3 LEU 91 + QD2 LEU 101 OK 46 97 - 48 - 8364=6, 3.1/8370=5...(22) HB2 LEU 51 - QD2 LEU 101 OK 39 85 - 47 - 3.1/7710=11, 3.1/7711=8...(19) HD2 LYS 65 - QD2 LEU 101 OK 30 100 - 30 - 2.9/4684=3, 2.9/4684=3...(16) HD3 LYS 65 - QD2 LEU 101 OK 30 100 - 30 - 2.9/4684=3, 2.9/4684=3...(16) QB ALA 98 - QD2 LEU 101 OK 22 90 - 25 - 7566/4.7=3, 7655/4.9=3...(9) HD2 LYS 46 - QD2 LEU 101 OK 18 85 - 22 - 5.2/7716=3, 3.5/8742=2...(8) HG2 LYS 119 - QD2 LEU 101 OK 17 81 - 20 - 2.9/8031=3, 2.9/8034=2...(7) HG3 LYS 31 - QD2 LEU 101 OK 14 73 - 19 - ~8445=2, 4.7/5837=2...(6) HB2 LEU 93 - QD2 LEU 101 OK 13 68 - 19 - 3.8/7726=5, 3.1/7713=3...(5) HB3 GLU 75 - QD2 LEU 101 OK 12 97 - 12 - 7315/3.1=2, 7318/4.0=1...(4) HG LEU 24 - QD2 LEU 101 lone 9 97 - 9 - ~6470=1 HG3 ARG 57 - QD2 LEU 101 poor 8 63 - 12 - ~7037=1, 3.6/7717=1, 3.0/4681=1 QB ALA 89 - QD2 LEU 101 lone 8 100 - 7 - QB ALA 14 - QD2 LEU 101 lone 6 68 - 9 - 6316/4.7=2, ~7701=1 QB ALA 122 - QD2 LEU 101 lone 3 68 - 5 - Peak 4683 from cnoeabs.peaks (1.62, 1.03, 27.12 ppm; 3.47 A): 2 out of 19 assignments used, quality = 1.00: * HG LEU 101 + QD2 LEU 101 OK 100 100 - 100 - 2.1=100 HG LEU 51 + QD2 LEU 101 OK 49 92 - 53 - 2.1/7710=15, 2.1/7711=10...(20) HB3 GLN 42 - QD2 LEU 101 OK 33 89 - 38 - ~6787=5, 4676/2.1=4...(18) HG2 PRO 30 - QD2 LEU 101 OK 30 99 - 30 - 2.3/8034=3, 1.8/8247=3...(13) HG2 ARG 53 - QD2 LEU 101 OK 25 98 - 25 - 4671=4, 4670/2.1=2...(12) HD2 LYS 32 - QD2 LEU 101 OK 22 98 - 23 - 2.9/7714=3, 1.8/8036=2...(9) HD3 LYS 32 - QD2 LEU 101 OK 22 98 - 23 - 2.9/7714=3, 1.8/8036=2...(9) HD3 LYS 31 - QD2 LEU 101 OK 20 100 - 20 - 4676/2.1=2, ~8445=1...(7) HD2 LYS 31 - QD2 LEU 101 OK 20 100 - 20 - 4676/2.1=2, ~8445=1...(7) HB3 LYS 32 - QD2 LEU 101 OK 18 83 - 22 - 3.0/7714=3, 3.5/8036=2...(6) HD3 LYS 119 - QD2 LEU 101 OK 17 78 - 22 - 3.7/8031=3, 3.0/8039=2...(7) HD2 LYS 119 - QD2 LEU 101 OK 17 76 - 22 - 3.7/8031=3, 3.0/8039=2...(7) HB ILE 34 - QD2 LEU 101 OK 12 63 - 19 - 2.9/8153=4, ~8251=3...(5) HB2 LEU 59 - QD2 LEU 101 lone 7 100 - 6 - 3.2/7713=1 HG3 ARG 85 - QD2 LEU 101 lone 4 68 - 6 - 7500/4.7=1 HG12 ILE 63 - QD2 LEU 101 lone 3 89 - 4 - HB3 LEU 126 - QD2 LEU 101 lone 3 90 - 3 - HB2 LEU 126 - QD2 LEU 101 lone 3 89 - 3 - HG LEU 126 - QD2 LEU 101 lone 2 73 - 3 - Peak 4684 from cnoeabs.peaks (0.99, 1.03, 27.12 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 101 + QD2 LEU 101 OK 100 100 - 100 - 2.1=100 HG2 LYS 65 - QD2 LEU 101 OK 14 100 - 14 - 4670/2.1=1, 4649/4.0=1...(4) HG3 LYS 65 - QD2 LEU 101 OK 14 100 - 14 - 4670/2.1=1, 4649/4.0=1...(4) HB3 LEU 27 - QD2 LEU 101 OK 11 81 - 14 - ~8445=1 QD2 LEU 58 - QD2 LEU 101 lone 9 99 - 9 - QD1 LEU 58 - QD2 LEU 101 lone 8 90 - 9 - QG1 VAL 18 - QD2 LEU 101 lone 8 100 - 8 - QG2 ILE 124 - QD2 LEU 101 poor 8 63 - 13 - 3.2/8121=4, 4.0/7728=2...(4) QG2 THR 95 - QD2 LEU 101 lone 6 97 - 7 - Peak 4685 from cnoeabs.peaks (1.03, 1.03, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 101 + QD2 LEU 101 OK 100 100 - 100 Peak 4686 from cnoeabs.peaks (8.48, 4.05, 62.54 ppm; 3.87 A): 1 out of 8 assignments used, quality = 1.00: * H TYR 102 + HA TYR 102 OK 100 100 - 100 - 2.9=100 H PHE 40 - HA TYR 102 OK 20 97 - 21 - 506/3.6=4, 4737/3.7=3...(8) H GLU 28 - HA TYR 102 OK 13 83 - 16 - 4737/3.7=3, 4.3/7739=3...(5) H LEU 84 - HA TYR 102 OK 11 89 - 12 - 4737/3.7=2, 506/3.6=2...(5) H LYS 31 - HA TYR 102 poor 9 87 - 11 - 4737/3.7=2, 506/3.6=2...(4) H GLN 16 - HA TYR 102 poor 8 60 - 14 - 811=2, 4.9/1967=1, ~1279=1 H SER 13 - HA TYR 102 lone 7 78 - 8 - 17/3.0=2, 4.6/4689=2...(4) H GLY 2 - HA TYR 102 lone 3 98 - 3 - Peak 4687 from cnoeabs.peaks (4.05, 4.05, 62.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 102 + HA TYR 102 OK 100 100 - 100 Peak 4688 from cnoeabs.peaks (3.04, 4.05, 62.54 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 102 + HA TYR 102 OK 100 100 - 100 - 3.0=100 HE3 LYS 109 - HA TYR 102 OK 45 92 - 49 - 3.5/4921=6, 1280/2.9=5...(18) HE2 LYS 109 - HA TYR 102 OK 45 92 - 49 - 3.5/4921=6, 1280/2.9=5...(18) HD2 ARG 85 - HA TYR 102 OK 11 100 - 11 - 1280/2.9=2, 4609/3.7=1 Peak 4689 from cnoeabs.peaks (3.00, 4.05, 62.54 ppm; 3.75 A): 1 out of 7 assignments used, quality = 1.00: * HB3 TYR 102 + HA TYR 102 OK 100 100 - 100 - 3.0=100 HE2 LYS 109 - HA TYR 102 OK 30 63 - 49 - 1.8/4688=8, 3.5/4921=6...(18) HE3 LYS 109 - HA TYR 102 OK 30 63 - 49 - 1.8/4688=8, 3.5/4921=6...(18) HA VAL 110 - HA TYR 102 OK 23 92 - 25 - 3.0/551=4, 4610/3.7=4...(11) HB2 ASN 12 - HA TYR 102 OK 17 93 - 18 - 1281/2.9=4, 509/3.6=3...(8) HE2 LYS 31 - HA TYR 102 lone 6 65 - 9 - 1281/2.9=1 HE3 LYS 31 - HA TYR 102 lone 6 65 - 9 - 1281/2.9=1 Peak 4690 from cnoeabs.peaks (6.87, 4.05, 62.54 ppm; 4.47 A): 3 out of 5 assignments used, quality = 0.90: * QE TYR 102 + HA TYR 102 OK 80 100 - 80 - 5.7=49, 2.2/4691=29...(12) H LYS 46 + HA TYR 102 OK 33 65 - 51 - 2.9/7746=15, 5.1/7737=7...(11) HE22 GLN 103 + HA TYR 102 OK 21 68 - 31 - 7764/3.7=10, 3.5/7745=8...(5) HZ3 TRP 20 - HA TYR 102 lone 6 76 - 8 - 4714/3.7=2 HE22 GLN 105 - HA TYR 102 lone 1 78 - 1 - Peak 4691 from cnoeabs.peaks (7.22, 4.05, 62.54 ppm; 3.43 A): 4 out of 6 assignments used, quality = 0.93: * QD TYR 102 + HA TYR 102 OK 89 100 - 89 - 3.7=77, 4736/3.6=13...(13) H LYS 65 + HA TYR 102 OK 19 98 - 19 - 511/3.6=4, 1283/2.9=3...(5) QE PHE 40 + HA TYR 102 OK 17 100 - 17 - 1283/2.9=4, 4703/3.0=3...(5) QE PHE 96 + HA TYR 102 OK 11 78 - 14 - 1283/2.9=3, 4697/3.0=2...(7) QD TYR 67 - HA TYR 102 lone 5 76 - 7 - 1283/2.9=1 H VAL 26 - HA TYR 102 lone 3 68 - 5 - 1283/2.9=1 Peak 4692 from cnoeabs.peaks (8.48, 3.04, 39.45 ppm; 4.53 A): 1 out of 8 assignments used, quality = 1.00: * H TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 4.0=100 H PHE 40 - HB2 TYR 102 OK 25 97 - 26 - 4737/2.5=6, 4698/1.8=5...(7) H GLU 28 - HB2 TYR 102 OK 19 83 - 22 - 4737/2.5=5, 4698/1.8=4...(7) H LEU 84 - HB2 TYR 102 OK 12 89 - 14 - 4737/2.5=3, 4698/1.8=2...(6) H LYS 31 - HB2 TYR 102 OK 11 87 - 13 - 4737/2.5=3, 4698/1.8=2...(4) H SER 13 - HB2 TYR 102 poor 9 78 - 11 - 17/1.8=3, 4.6/4695=2...(5) H GLN 16 - HB2 TYR 102 poor 7 60 - 12 - 3.0/4693=2, 4686/3.0=2...(6) H GLY 2 - HB2 TYR 102 lone 4 98 - 4 - Peak 4693 from cnoeabs.peaks (4.05, 3.04, 39.45 ppm; 4.76 A): 2 out of 8 assignments used, quality = 1.00: * HA TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 3.0=100 HA LYS 109 + HB2 TYR 102 OK 65 99 - 65 - 4699/1.8=10, 4608/2.5=9...(24) HD3 PRO 37 - HB2 TYR 102 OK 33 100 - 33 - 4.8/5839=6, 4699/1.8=5...(12) HA GLN 16 - HB2 TYR 102 OK 18 93 - 19 - 1279/4.0=3, 4699/1.8=3...(8) HA LEU 55 - HB2 TYR 102 OK 18 97 - 18 - 7351/7350=3, 4711/2.5=3...(6) HA SER 112 - HB2 TYR 102 OK 14 96 - 15 - ~1753=3, 4699/1.8=3...(5) HA SER 44 - HB2 TYR 102 OK 11 81 - 14 - 4711/2.5=2, 4699/1.8=2...(5) HA ALA 14 - HB2 TYR 102 lone 4 71 - 6 - 4608/2.5=1 Peak 4694 from cnoeabs.peaks (3.04, 3.04, 39.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 102 + HB2 TYR 102 OK 100 100 - 100 Peak 4695 from cnoeabs.peaks (3.00, 3.04, 39.45 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HB3 TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 1.8=100 HE2 LYS 109 - HB2 TYR 102 OK 28 63 - 45 - 4610/2.5=4, ~4609=4...(23) HE3 LYS 109 - HB2 TYR 102 OK 28 63 - 45 - 4610/2.5=4, ~4609=4...(23) HA VAL 110 - HB2 TYR 102 OK 25 92 - 27 - 4610/2.5=5, 4689/3.0=3...(14) HB2 ASN 12 - HB2 TYR 102 OK 15 93 - 16 - 1281/4.0=2, 4610/2.5=2...(8) HE2 LYS 31 - HB2 TYR 102 lone 4 65 - 6 - HE3 LYS 31 - HB2 TYR 102 lone 4 65 - 6 - Peak 4697 from cnoeabs.peaks (7.22, 3.04, 39.45 ppm; 4.34 A): 1 out of 6 assignments used, quality = 1.00: * QD TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 2.5=100 QE PHE 40 - HB2 TYR 102 OK 33 100 - 33 - 4703/1.8=6, 4691/3.0=5...(11) H LYS 65 - HB2 TYR 102 OK 28 98 - 29 - 4703/1.8=6, 4691/3.0=5...(7) QE PHE 96 - HB2 TYR 102 OK 20 78 - 25 - 7397/7414=4, 4703/1.8=4...(9) QD TYR 67 - HB2 TYR 102 poor 9 76 - 12 - 4703/1.8=2, 4709/4.4=1...(7) H VAL 26 - HB2 TYR 102 lone 5 68 - 8 - 1283/4.0=1, 4703/1.8=1 Peak 4698 from cnoeabs.peaks (8.48, 3.00, 39.45 ppm; 4.27 A): 1 out of 8 assignments used, quality = 1.00: * H TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 4.0=100 H PHE 40 - HB3 TYR 102 OK 23 97 - 24 - 4737/2.5=5, 4692/1.8=5...(6) H GLU 28 - HB3 TYR 102 OK 16 83 - 20 - 4737/2.5=5, 4692/1.8=3...(7) H SER 13 - HB3 TYR 102 OK 12 78 - 15 - 17=3, 3.6/1870=2...(8) H LEU 84 - HB3 TYR 102 OK 11 89 - 12 - 4737/2.5=3, 4692/1.8=2...(5) H LYS 31 - HB3 TYR 102 OK 10 87 - 12 - 4737/2.5=3, 4692/1.8=2...(4) H GLN 16 - HB3 TYR 102 poor 7 60 - 11 - 3.0/4699=2, 4686/3.0=2...(4) H GLY 2 - HB3 TYR 102 lone 3 98 - 3 - Peak 4699 from cnoeabs.peaks (4.05, 3.00, 39.45 ppm; 4.66 A): 2 out of 8 assignments used, quality = 1.00: * HA TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 3.0=100 HA LYS 109 + HB3 TYR 102 OK 62 99 - 62 - 4693/1.8=9, 4608/2.5=9...(22) HD3 PRO 37 - HB3 TYR 102 OK 32 100 - 32 - 4.8/5840=6, 4608/2.5=5...(12) HA LEU 55 - HB3 TYR 102 OK 16 97 - 17 - 4693/1.8=3, 4711/2.5=3...(5) HA SER 112 - HB3 TYR 102 OK 16 96 - 17 - 3.0/1753=4, 3.6/1760=3...(4) HA GLN 16 - HB3 TYR 102 OK 16 93 - 17 - 4693/1.8=3, 1279/4.0=3...(6) HA SER 44 - HB3 TYR 102 OK 10 81 - 13 - 4711/2.5=2, 4693/1.8=2 HA ALA 14 - HB3 TYR 102 lone 4 71 - 6 - 4608/2.5=1 Peak 4700 from cnoeabs.peaks (3.04, 3.00, 39.45 ppm; 6.20 A): 3 out of 4 assignments used, quality = 1.00: * HB2 TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 1.8=100 HE3 LYS 109 + HB3 TYR 102 OK 74 92 - 81 - 4712/2.5=12, 4688/3.0=11...(30) HE2 LYS 109 + HB3 TYR 102 OK 74 92 - 81 - 4712/2.5=12, 4688/3.0=11...(30) HD2 ARG 85 - HB3 TYR 102 OK 26 100 - 25 - 4712/2.5=4, 4688/3.0=3...(10) Peak 4701 from cnoeabs.peaks (3.00, 3.00, 39.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 102 + HB3 TYR 102 OK 100 100 - 100 Peak 4703 from cnoeabs.peaks (7.22, 3.00, 39.45 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: * QD TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 2.5=100 QE PHE 40 - HB3 TYR 102 OK 32 100 - 32 - 4697/1.8=6, 4691/3.0=4...(10) H LYS 65 - HB3 TYR 102 OK 30 98 - 30 - 4697/1.8=5, 4691/3.0=5...(9) QE PHE 96 - HB3 TYR 102 OK 19 78 - 24 - 2.2/4818=5, 4697/1.8=4...(9) QD TYR 67 - HB3 TYR 102 poor 10 76 - 13 - 4697/1.8=2, 4709/4.4=1...(6) H VAL 26 - HB3 TYR 102 lone 5 68 - 7 - 1283/4.0=1, 4697/1.8=1 Peak 4706 from cnoeabs.peaks (3.04, 6.87, 117.91 ppm; 4.94 A): 3 out of 4 assignments used, quality = 0.99: * HB2 TYR 102 + QE TYR 102 OK 98 98 - 100 - 4.4=100 HE3 LYS 109 + QE TYR 102 OK 51 87 - 58 - 4609/2.2=10, 3.5/4823=8...(14) HE2 LYS 109 + QE TYR 102 OK 51 87 - 58 - 4609/2.2=10, 3.5/4823=8...(14) HD2 ARG 85 - QE TYR 102 OK 12 97 - 12 - 4712/2.2=3, 4700/4.4=2...(4) Peak 4707 from cnoeabs.peaks (3.00, 6.87, 117.91 ppm; 4.93 A): 1 out of 7 assignments used, quality = 0.98: * HB3 TYR 102 + QE TYR 102 OK 98 98 - 100 - 4.4=100 HA VAL 110 - QE TYR 102 OK 31 87 - 36 - 4610/2.2=7, 3.5/4828=7...(10) HE2 LYS 109 - QE TYR 102 OK 31 59 - 54 - 3.5/4823=8, ~4609=8...(14) HE3 LYS 109 - QE TYR 102 OK 31 59 - 54 - 3.5/4823=8, ~4609=8...(14) HB2 ASN 12 - QE TYR 102 OK 12 89 - 14 - 4713/2.2=4, 4695/4.4=2...(4) HE2 LYS 31 - QE TYR 102 lone 5 61 - 8 - 4713/2.2=1 HE3 LYS 31 - QE TYR 102 lone 5 61 - 8 - 4713/2.2=1 Peak 4708 from cnoeabs.peaks (6.87, 6.87, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QE TYR 102 + QE TYR 102 OK 98 98 - 100 Peak 4709 from cnoeabs.peaks (7.22, 6.87, 117.91 ppm; 3.14 A): 1 out of 6 assignments used, quality = 0.98: * QD TYR 102 + QE TYR 102 OK 98 98 - 100 - 2.2=100 H LYS 65 - QE TYR 102 OK 19 94 - 20 - 4.0/4823=2, 4.0/4823=2...(7) QE PHE 40 - QE TYR 102 OK 14 97 - 15 - ~2775=2, 4703/4.4=2...(5) QD TYR 67 - QE TYR 102 poor 7 71 - 10 - 2.6/4752=1, 2.6/4752=1 QE PHE 96 - QE TYR 102 lone 6 74 - 8 - 4697/4.4=1, 4703/4.4=1 H VAL 26 - QE TYR 102 lone 3 64 - 4 - Peak 4711 from cnoeabs.peaks (4.05, 7.22, 133.27 ppm; 5.24 A): 2 out of 8 assignments used, quality = 1.00: * HA TYR 102 + QD TYR 102 OK 100 100 - 100 - 3.7=100 HA LYS 109 + QD TYR 102 OK 69 99 - 70 - 4693/2.5=10, 4699/2.5=10...(24) HD3 PRO 37 - QD TYR 102 OK 39 100 - 39 - 4.8/4736=8, 4699/2.5=5...(12) HA LEU 55 - QD TYR 102 OK 25 97 - 26 - 4693/2.5=3, 4699/2.5=3...(7) HA SER 44 - QD TYR 102 OK 17 80 - 22 - 6819/2.2=3, 4.6/4820=3...(11) HA GLN 16 - QD TYR 102 OK 16 93 - 17 - 1279/4.5=3, 4693/2.5=3...(4) HA SER 112 - QD TYR 102 OK 16 95 - 17 - ~1753=3, 4699/2.5=3...(6) HA ALA 14 - QD TYR 102 poor 7 70 - 11 - 1279/4.5=1 Peak 4712 from cnoeabs.peaks (3.04, 7.22, 133.27 ppm; 5.26 A): 3 out of 4 assignments used, quality = 1.00: * HB2 TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.5=100 HE3 LYS 109 + QD TYR 102 OK 66 92 - 72 - 4706/2.2=10, 3.5/4825=10...(20) HE2 LYS 109 + QD TYR 102 OK 66 92 - 72 - 4706/2.2=10, 3.5/4825=10...(20) HD2 ARG 85 - QD TYR 102 OK 22 100 - 21 - 4700/2.5=3, 4688/3.7=2...(8) Peak 4713 from cnoeabs.peaks (3.00, 7.22, 133.27 ppm; 5.07 A): 2 out of 7 assignments used, quality = 1.00: * HB3 TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.5=100 HA VAL 110 + QD TYR 102 OK 51 92 - 56 - 3.5/4735=11, 3.0/4744=8...(14) HE2 LYS 109 - QD TYR 102 OK 42 62 - 67 - 1.8/4712=10, 3.5/4825=9...(20) HE3 LYS 109 - QD TYR 102 OK 42 62 - 67 - 1.8/4712=10, 3.5/4825=9...(20) HB2 ASN 12 - QD TYR 102 OK 27 93 - 29 - 1281/4.5=4, 4695/2.5=4...(11) HE2 LYS 31 - QD TYR 102 poor 8 65 - 13 - 1281/4.5=1, 3.8/8417=1...(4) HE3 LYS 31 - QD TYR 102 poor 8 65 - 13 - 1281/4.5=1, 3.8/8417=1...(4) Peak 4714 from cnoeabs.peaks (6.87, 7.22, 133.27 ppm; 4.24 A): 2 out of 5 assignments used, quality = 1.00: * QE TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.2=100 HE22 GLN 103 + QD TYR 102 OK 48 68 - 71 - 1.7/4735=23, 3.5/4740=18...(13) H LYS 46 - QD TYR 102 OK 34 65 - 53 - 2.9/6853=12, 5.1/4820=8...(12) HZ3 TRP 20 - QD TYR 102 OK 12 76 - 15 - ~4544=2, ~8130=1...(6) HE22 GLN 105 - QD TYR 102 lone 2 78 - 2 - Peak 4715 from cnoeabs.peaks (7.22, 7.22, 133.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + QD TYR 102 OK 100 100 - 100 Peak 4716 from cnoeabs.peaks (7.89, 4.27, 54.96 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 103 + HA GLN 103 OK 100 100 - 100 - 2.9=100 H ASP 36 - HA GLN 103 OK 23 90 - 26 - 4732/3.0=5, 4724/3.0=5...(8) Peak 4717 from cnoeabs.peaks (4.27, 4.27, 54.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 103 + HA GLN 103 OK 100 100 - 100 Peak 4718 from cnoeabs.peaks (2.37, 4.27, 54.96 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 103 + HA GLN 103 OK 100 100 - 100 - 3.0=100 HG2 MET 11 - HA GLN 103 OK 31 99 - 32 - 4734/3.0=6, 1286/2.9=4...(13) HG2 GLU 15 - HA GLN 103 OK 11 100 - 11 - 1286/2.9=2, 4734/3.0=2...(5) HG2 PRO 70 - HA GLN 103 OK 10 76 - 13 - 4724/2.9=2, 4725=2...(6) HB VAL 18 - HA GLN 103 lone 9 93 - 10 - 4734/3.0=2, 1286/2.9=1 HB3 ASN 118 - HA GLN 103 lone 5 85 - 5 - HG3 GLN 16 - HA GLN 103 lone 4 71 - 5 - Peak 4719 from cnoeabs.peaks (1.98, 4.27, 54.96 ppm; 3.52 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLN 103 + HA GLN 103 OK 100 100 - 100 - 3.0=100 HB2 MET 11 - HA GLN 103 OK 36 100 - 37 - 3.0/4718=5, 1848/3.0=3...(19) HB2 LYS 46 - HA GLN 103 OK 33 92 - 36 - 4.7/4720=6, 4.7/4721=5...(13) HB2 GLU 94 - HA GLN 103 OK 21 92 - 23 - 4519=5, 1.8/4525=3...(9) HG LEU 114 - HA GLN 103 OK 17 100 - 17 - 2.1/5085=2, 5078=2...(5) HB3 GLU 94 - HA GLN 103 OK 12 60 - 20 - 1.8/4519=4, 4525=2...(5) HB2 LEU 41 - HA GLN 103 lone 8 100 - 8 - 4.2/7766=1, 515/3.6=1 HG LEU 45 - HA GLN 103 lone 8 97 - 8 - ~7768=2, 1287/2.9=1 HB ILE 124 - HA GLN 103 lone 7 100 - 7 - 4.0/8111=1 HB3 PRO 68 - HA GLN 103 lone 5 100 - 5 - HB2 LEU 55 - HA GLN 103 lone 5 87 - 6 - 3.0/7772=1 HG2 PRO 68 - HA GLN 103 lone 5 100 - 5 - HB2 ARG 71 - HA GLN 103 lone 4 98 - 4 - HG2 PRO 60 - HA GLN 103 lone 3 97 - 3 - Peak 4720 from cnoeabs.peaks (2.64, 4.27, 54.96 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.96: * HG2 GLN 103 + HA GLN 103 OK 91 100 - 91 - 4.0=74, 1.8/4721=23...(11) HE2 LYS 46 + HA GLN 103 OK 57 96 - 59 - 1.8/4721=12, 4736/3.0=11...(16) HB3 ASP 123 - HA GLN 103 lone 5 83 - 6 - 4.2/8111=1 Peak 4721 from cnoeabs.peaks (2.52, 4.27, 54.96 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.93: * HG3 GLN 103 + HA GLN 103 OK 84 100 - 84 - 4.0=58, 1.8/4720=19...(11) HE3 LYS 46 + HA GLN 103 OK 44 83 - 53 - 1.8/4720=12, 4737/3.0=7...(15) HG2 GLU 82 + HA GLN 103 OK 18 100 - 18 - 1289/2.9=4, 4737/3.0=3...(7) Peak 4722 from cnoeabs.peaks (7.71, 4.27, 54.96 ppm; 4.93 A): 3 out of 7 assignments used, quality = 0.93: * HE21 GLN 103 + HA GLN 103 OK 90 100 - 90 - 5.4=75, 3.5/4721=24...(7) H LEU 111 + HA GLN 103 OK 21 97 - 21 - 1749/3.6=6, 4746/4.0=3...(8) H LEU 58 + HA GLN 103 OK 16 95 - 17 - 4754/4.0=3, 4746/4.0=2, 1046=1 H ASN 118 - HA GLN 103 poor 7 65 - 11 - 1786=2, 4.0/4718=1, 4.2/6238=1 H THR 121 - HA GLN 103 lone 6 83 - 7 - 4746/4.0=1, 4754/4.0=1 H LEU 126 - HA GLN 103 lone 5 92 - 5 - 8128/3.0=1 H SER 90 - HA GLN 103 lone 4 95 - 4 - Peak 4723 from cnoeabs.peaks (6.90, 4.27, 54.96 ppm; 5.21 A): 1 out of 4 assignments used, quality = 0.96: * HE22 GLN 103 + HA GLN 103 OK 96 100 - 96 - 5.4=88, 1.7/4722=26...(7) QE TYR 102 - HA GLN 103 OK 43 65 - 65 - ~4736=22, ~511=13...(10) H LYS 46 - HA GLN 103 OK 38 100 - 38 - 4747/4.0=8, 4755/4.0=7...(9) HZ3 TRP 20 - HA GLN 103 lone 7 100 - 7 - 4747/4.0=1, 4755/4.0=1 Peak 4724 from cnoeabs.peaks (7.89, 2.37, 28.58 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 103 + HB2 GLN 103 OK 100 100 - 100 - 4.0=100 H ASP 36 - HB2 GLN 103 OK 26 90 - 28 - 4732/1.8=8, 4740/3.0=6...(5) H GLN 103 - HG2 PRO 70 OK 13 75 - 17 - 1286=4, 1735/3.8=3...(7) H ASP 36 - HG2 PRO 70 lone 1 62 - 2 - Peak 4725 from cnoeabs.peaks (4.27, 2.37, 28.58 ppm; 3.78 A): 1 out of 22 assignments used, quality = 1.00: * HA GLN 103 + HB2 GLN 103 OK 100 100 - 100 - 3.0=100 HA LYS 65 - HB2 GLN 103 OK 29 90 - 33 - 4733/1.8=5, 4741/3.0=5...(12) HA GLU 94 - HB2 GLN 103 OK 22 100 - 22 - 4733/1.8=4, 4749/3.0=3...(8) HA LEU 114 - HB2 GLN 103 OK 17 83 - 21 - 4733/1.8=4, 7953/4.6=2...(8) HA GLU 64 - HB2 GLN 103 OK 16 90 - 18 - 3.6/7164=3, 4749/3.0=3...(8) HA GLN 103 - HG2 PRO 70 OK 13 75 - 17 - 4718=3, 2.9/4724=2...(6) HA LEU 114 - HG2 PRO 70 OK 11 55 - 20 - 6239/2.3=4, 5058/2.3=2...(9) HA LEU 58 - HB2 GLN 103 poor 8 78 - 10 - 4733/1.8=1, 4749/3.0=1...(4) HB THR 19 - HB2 GLN 103 lone 6 65 - 9 - 2.1/6377=2, 6373=1 HB3 SER 113 - HB2 GLN 103 lone 4 73 - 6 - 4733/1.8=1 HA ALA 122 - HB2 GLN 103 lone 4 100 - 4 - HA GLU 94 - HG2 PRO 70 lone 3 74 - 4 - HB2 SER 78 - HB2 GLN 103 lone 3 71 - 4 - HA GLU 64 - HG2 PRO 70 lone 3 62 - 5 - HB THR 19 - HG2 PRO 70 lone 3 42 - 6 - 4.0/48=3, 2.1/6377=1 HB2 SER 78 - HG2 PRO 70 lone 2 46 - 5 - 6095/2.3=1, ~6097=1 HA LYS 65 - HG2 PRO 70 lone 2 62 - 3 - 3.0/7164=1 HA3 GLY 48 - HG2 PRO 70 lone 2 40 - 5 - ~986=1 HA3 GLY 48 - HB2 GLN 103 lone 1 63 - 2 - HA LEU 58 - HG2 PRO 70 lone 1 51 - 2 - HA ALA 122 - HG2 PRO 70 lone 1 74 - 1 - HB3 SER 113 - HG2 PRO 70 lone 1 48 - 1 - Peak 4726 from cnoeabs.peaks (2.37, 2.37, 28.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 103 + HB2 GLN 103 OK 100 100 - 100 HG2 PRO 70 + HG2 PRO 70 OK 50 50 - 100 Peak 4727 from cnoeabs.peaks (1.98, 2.37, 28.58 ppm; 3.11 A): 1 out of 28 assignments used, quality = 1.00: * HB3 GLN 103 + HB2 GLN 103 OK 100 100 - 100 - 1.8=100 HB2 LYS 46 - HB2 GLN 103 OK 39 92 - 42 - 4743/3.0=4, 4751/3.0=4...(22) HB2 MET 11 - HB2 GLN 103 OK 37 100 - 38 - 3.0/1866=4, 3.0/1842=4...(18) HG2 PRO 60 - HG2 PRO 70 OK 24 70 - 34 - 3470/1.8=3, ~3814=3...(18) HB3 PRO 68 - HG2 PRO 70 OK 23 75 - 31 - ~7225=6, ~7224=4...(13) HB2 GLU 94 - HB2 GLN 103 OK 15 92 - 17 - 4519/3.0=2, 2.9/4725=2...(6) HG2 PRO 68 - HG2 PRO 70 OK 14 75 - 18 - ~3832=2, 7944/2.3=2...(12) HG LEU 114 - HG2 PRO 70 OK 13 75 - 17 - 7944/2.3=2, 5079/2.3=2...(7) HG LEU 114 - HB2 GLN 103 OK 12 100 - 12 - 4719/3.0=1 HB3 GLN 103 - HG2 PRO 70 OK 11 75 - 14 - 4734=3, 3.0/4750=1...(5) HB3 GLU 94 - HB2 GLN 103 poor 9 60 - 15 - 2.9/4725=2, ~4733=1...(4) HB2 LEU 41 - HG2 PRO 70 poor 8 75 - 11 - ~7264=2, ~7254=1, ~6024=1 HB2 ARG 71 - HG2 PRO 70 poor 8 71 - 11 - 3847/3.8=2, ~3810=2...(6) HB2 MET 11 - HG2 PRO 70 lone 5 75 - 7 - HB2 LEU 41 - HB2 GLN 103 lone 5 100 - 5 - HG LEU 45 - HB2 GLN 103 lone 5 97 - 5 - HB2 LEU 55 - HG2 PRO 70 lone 4 59 - 7 - HB ILE 124 - HB2 GLN 103 lone 4 100 - 4 - HB3 PRO 68 - HB2 GLN 103 lone 4 100 - 4 - HB2 LYS 46 - HG2 PRO 70 lone 4 63 - 6 - HG2 PRO 68 - HB2 GLN 103 lone 4 100 - 4 - HB2 LEU 55 - HB2 GLN 103 lone 3 87 - 4 - HG2 PRO 60 - HB2 GLN 103 lone 3 97 - 3 - HB2 ARG 71 - HB2 GLN 103 lone 3 98 - 3 - HB2 GLU 94 - HG2 PRO 70 lone 2 63 - 3 - HG LEU 45 - HG2 PRO 70 lone 1 69 - 2 - HB ILE 124 - HG2 PRO 70 lone 1 75 - 1 - HB3 GLU 94 - HG2 PRO 70 lone 1 38 - 2 - Peak 4728 from cnoeabs.peaks (2.64, 2.37, 28.58 ppm; 3.67 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 103 + HB2 GLN 103 OK 100 100 - 100 - 3.0=100 HE2 LYS 46 + HB2 GLN 103 OK 67 96 - 70 - 4736/1.8=14, 4752/3.0=12...(19) HG2 GLN 103 - HG2 PRO 70 OK 12 75 - 16 - 4742=3, 1.8/4750=3...(5) HB3 ASP 123 - HB2 GLN 103 lone 5 83 - 6 - 4736/1.8=1, 4720/3.0=1 HE2 LYS 46 - HG2 PRO 70 lone 4 67 - 5 - HB3 ASP 123 - HG2 PRO 70 lone 0 55 - 1 - Peak 4729 from cnoeabs.peaks (2.52, 2.37, 28.58 ppm; 3.51 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 103 + HB2 GLN 103 OK 100 100 - 100 - 3.0=100 HE3 LYS 46 + HB2 GLN 103 OK 55 83 - 67 - 1.8/4728=12, 4737/1.8=11...(20) HG2 GLU 82 - HB2 GLN 103 OK 26 100 - 26 - 4737/1.8=5, 4745/3.0=4...(10) HG2 GLU 82 - HG2 PRO 70 OK 17 75 - 23 - 4.1/7773=2, 4180=2...(13) HG3 GLN 103 - HG2 PRO 70 OK 12 75 - 16 - 4750=3, 1.8/4742=2...(5) HE3 LYS 46 - HG2 PRO 70 lone 3 55 - 5 - Peak 4732 from cnoeabs.peaks (7.89, 1.98, 28.58 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 103 + HB3 GLN 103 OK 100 100 - 100 - 4.0=100 H ASP 36 - HB3 GLN 103 OK 25 90 - 28 - 4724/1.8=7, 4740/3.0=6...(5) Peak 4733 from cnoeabs.peaks (4.27, 1.98, 28.58 ppm; 3.94 A): 1 out of 11 assignments used, quality = 1.00: * HA GLN 103 + HB3 GLN 103 OK 100 100 - 100 - 3.0=100 HA LYS 65 - HB3 GLN 103 OK 32 90 - 35 - 4741/3.0=5, 4725/1.8=5...(12) HA GLU 94 - HB3 GLN 103 OK 26 100 - 27 - 4725/1.8=3, 4514=3...(13) HA LEU 114 - HB3 GLN 103 OK 23 83 - 27 - 5060=3, 4725/1.8=3...(13) HA GLU 64 - HB3 GLN 103 OK 15 90 - 17 - 4749/3.0=3, ~7155=3...(7) HA LEU 58 - HB3 GLN 103 poor 9 78 - 11 - 4725/1.8=1, 4749/3.0=1...(5) HB3 SER 113 - HB3 GLN 103 lone 7 73 - 9 - 4.7/1356=1 HB THR 19 - HB3 GLN 103 lone 5 65 - 8 - ~6377=2, 6373/1.8=1 HA ALA 122 - HB3 GLN 103 lone 5 100 - 5 - HB2 SER 78 - HB3 GLN 103 lone 3 71 - 5 - HA3 GLY 48 - HB3 GLN 103 lone 1 63 - 2 - Peak 4734 from cnoeabs.peaks (2.37, 1.98, 28.58 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 103 + HB3 GLN 103 OK 100 100 - 100 - 1.8=100 HG2 MET 11 - HB3 GLN 103 OK 40 99 - 41 - 1.8/1864=5, 3.0/1852=5...(20) HG2 PRO 70 - HB3 GLN 103 OK 10 76 - 13 - 4727=2, 4750/3.0=1...(5) HB VAL 18 - HB3 GLN 103 poor 10 93 - 10 - 4718/3.0=1, 4750/3.0=1...(4) HG2 GLU 15 - HB3 GLN 103 lone 10 100 - 9 - 4718/3.0=1, 4750/3.0=1...(4) HB3 ASN 118 - HB3 GLN 103 lone 4 85 - 5 - HG3 GLN 16 - HB3 GLN 103 lone 3 71 - 4 - Peak 4735 from cnoeabs.peaks (1.98, 1.98, 28.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 103 + HB3 GLN 103 OK 100 100 - 100 Peak 4736 from cnoeabs.peaks (2.64, 1.98, 28.58 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 103 + HB3 GLN 103 OK 100 100 - 100 - 3.0=100 HE2 LYS 46 + HB3 GLN 103 OK 70 96 - 74 - 4728/1.8=13, 4752/3.0=12...(22) HB3 ASP 123 - HB3 GLN 103 lone 6 83 - 7 - 4720/3.0=1, 4728/1.8=1 Peak 4737 from cnoeabs.peaks (2.52, 1.98, 28.58 ppm; 3.76 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 103 + HB3 GLN 103 OK 100 100 - 100 - 3.0=100 HE3 LYS 46 + HB3 GLN 103 OK 61 83 - 74 - 1.8/4736=15, 4729/1.8=10...(23) HG2 GLU 82 - HB3 GLN 103 OK 28 100 - 28 - 4729/1.8=5, 4745/3.0=4...(11) Peak 4740 from cnoeabs.peaks (7.89, 2.64, 33.36 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.88: * H GLN 103 + HG2 GLN 103 OK 85 100 - 85 - 5.0=44, 4748/1.8=29...(11) H ASP 36 + HG2 GLN 103 OK 21 90 - 23 - 4748/1.8=7, 4732/3.0=5...(5) Peak 4741 from cnoeabs.peaks (4.27, 2.64, 33.36 ppm; 3.65 A): 2 out of 11 assignments used, quality = 0.94: * HA GLN 103 + HG2 GLN 103 OK 91 100 - 91 - 4.0=73, 4721/1.8=23...(11) HA LYS 65 + HG2 GLN 103 OK 29 90 - 33 - 3.0/7761=7, ~7163=5...(9) HA GLU 64 - HG2 GLN 103 OK 17 90 - 18 - 3.6/7761=6, 4749/1.8=4...(7) HA GLU 94 - HG2 GLN 103 OK 16 100 - 16 - 4749/1.8=3, 4733/3.0=3...(7) HA LEU 114 - HG2 GLN 103 OK 15 83 - 17 - 4749/1.8=3, 7953/3.5=3...(5) HA LEU 58 - HG2 GLN 103 lone 7 78 - 9 - 3.0/4746=2, 4749/1.8=1...(5) HA ALA 122 - HG2 GLN 103 lone 4 100 - 4 - HB3 SER 113 - HG2 GLN 103 lone 4 73 - 5 - HB THR 19 - HG2 GLN 103 lone 3 65 - 5 - HB2 SER 78 - HG2 GLN 103 lone 2 71 - 3 - HA3 GLY 48 - HG2 GLN 103 lone 1 63 - 1 - Peak 4742 from cnoeabs.peaks (2.37, 2.64, 33.36 ppm; 3.42 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 103 + HG2 GLN 103 OK 100 100 - 100 - 3.0=100 HG2 MET 11 - HG2 GLN 103 OK 35 99 - 36 - 4750/1.8=7, 4734/3.0=6...(14) HG2 PRO 70 - HG2 GLN 103 OK 11 76 - 14 - 4728=3, 4750/1.8=2...(5) HG2 GLU 15 - HG2 GLN 103 lone 10 100 - 10 - 4750/1.8=2, 4734/3.0=2...(5) HB VAL 18 - HG2 GLN 103 lone 9 93 - 9 - 4750/1.8=2, 4734/3.0=2 HB3 ASN 118 - HG2 GLN 103 lone 5 85 - 5 - 4750/1.8=1 HG3 GLN 16 - HG2 GLN 103 lone 3 71 - 4 - Peak 4743 from cnoeabs.peaks (1.98, 2.64, 33.36 ppm; 3.42 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 103 + HG2 GLN 103 OK 100 100 - 100 - 3.0=100 HB2 LYS 46 + HG2 GLN 103 OK 52 92 - 57 - 3.5/2987=7, 3.5/2977=7...(23) HB2 MET 11 - HG2 GLN 103 OK 36 100 - 37 - 3.0/4742=5, 4751/1.8=5...(18) HB2 GLU 94 - HG2 GLN 103 OK 14 92 - 15 - 2.9/4741=2, 4751/1.8=2...(6) HG LEU 114 - HG2 GLN 103 OK 11 100 - 11 - 4751/1.8=2, 754/3.5=1...(4) HB3 GLU 94 - HG2 GLN 103 poor 8 60 - 13 - 2.9/4741=2, ~4749=1...(5) HG LEU 45 - HG2 GLN 103 lone 6 97 - 6 - HB ILE 124 - HG2 GLN 103 lone 5 100 - 5 - HB2 LEU 41 - HG2 GLN 103 lone 5 100 - 5 - HB3 PRO 68 - HG2 GLN 103 lone 4 100 - 4 - HG2 PRO 68 - HG2 GLN 103 lone 4 100 - 4 - HB2 LEU 55 - HG2 GLN 103 lone 3 87 - 3 - HB2 ARG 71 - HG2 GLN 103 lone 3 98 - 3 - HG2 PRO 60 - HG2 GLN 103 lone 3 97 - 3 - Peak 4744 from cnoeabs.peaks (2.64, 2.64, 33.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 103 + HG2 GLN 103 OK 100 100 - 100 Peak 4745 from cnoeabs.peaks (2.52, 2.64, 33.36 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 103 + HG2 GLN 103 OK 100 100 - 100 - 1.8=100 HE3 LYS 46 - HG2 GLN 103 OK 41 83 - 50 - 3007=10, ~4752=5...(21) HG2 GLU 82 - HG2 GLN 103 OK 16 100 - 16 - ~4188=2, 4.1/7774=2...(8) Peak 4746 from cnoeabs.peaks (7.71, 2.64, 33.36 ppm; 3.99 A): 1 out of 7 assignments used, quality = 1.00: * HE21 GLN 103 + HG2 GLN 103 OK 100 100 - 100 - 3.5=100 H LEU 111 - HG2 GLN 103 OK 14 97 - 14 - 4754/1.8=3, 3.5/8155=3...(6) H LEU 58 - HG2 GLN 103 OK 10 95 - 11 - 4754/1.8=3, 4722/4.0=2 H THR 121 - HG2 GLN 103 lone 6 83 - 7 - 4754/1.8=1, 4.0/7774=1 H ASN 118 - HG2 GLN 103 lone 4 65 - 5 - 4754/1.8=1 H LEU 126 - HG2 GLN 103 lone 4 92 - 4 - H SER 90 - HG2 GLN 103 lone 3 95 - 3 - Peak 4747 from cnoeabs.peaks (6.90, 2.64, 33.36 ppm; 4.39 A): 3 out of 4 assignments used, quality = 1.00: * HE22 GLN 103 + HG2 GLN 103 OK 100 100 - 100 - 3.5=100 QE TYR 102 + HG2 GLN 103 OK 46 65 - 71 - 2.2/4740=24, 4753=16...(12) H LYS 46 + HG2 GLN 103 OK 46 100 - 46 - 4755/1.8=8, 4.0/2947=7...(12) HZ3 TRP 20 - HG2 GLN 103 lone 8 100 - 8 - 4755/1.8=1 Peak 4748 from cnoeabs.peaks (7.89, 2.52, 33.36 ppm; 3.84 A): 2 out of 2 assignments used, quality = 0.90: * H GLN 103 + HG3 GLN 103 OK 88 100 - 88 - 5.0=45, 4740/1.8=30...(13) H ASP 36 + HG3 GLN 103 OK 21 90 - 23 - 4740/1.8=7, 4732/3.0=5...(5) Peak 4749 from cnoeabs.peaks (4.27, 2.52, 33.36 ppm; 3.55 A): 2 out of 11 assignments used, quality = 0.92: * HA GLN 103 + HG3 GLN 103 OK 89 100 - 89 - 4.0=67, 4720/1.8=21...(12) HA LYS 65 + HG3 GLN 103 OK 25 90 - 28 - 3.0/7762=8, 4741/1.8=5...(8) HA GLU 64 - HG3 GLN 103 OK 18 90 - 19 - 3.6/7163=7, 2.9/7155=4...(6) HA GLU 94 - HG3 GLN 103 OK 16 100 - 16 - 4741/1.8=3, 4733/3.0=3...(6) HA LEU 114 - HG3 GLN 103 OK 14 83 - 16 - 4741/1.8=3, 7953/3.5=3...(5) HA LEU 58 - HG3 GLN 103 lone 7 78 - 9 - 3.0/4754=2, 4741/1.8=1...(4) HB3 SER 113 - HG3 GLN 103 lone 3 73 - 5 - HA ALA 122 - HG3 GLN 103 lone 3 100 - 3 - HB THR 19 - HG3 GLN 103 lone 3 65 - 5 - HB2 SER 78 - HG3 GLN 103 lone 2 71 - 3 - HA3 GLY 48 - HG3 GLN 103 lone 1 63 - 1 - Peak 4750 from cnoeabs.peaks (2.37, 2.52, 33.36 ppm; 3.46 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 103 + HG3 GLN 103 OK 100 100 - 100 - 3.0=100 HG2 MET 11 - HG3 GLN 103 OK 36 99 - 37 - 4742/1.8=7, 4734/3.0=7...(14) HG2 PRO 70 - HG3 GLN 103 OK 11 76 - 15 - 4729=3, 4742/1.8=2...(5) HG2 GLU 15 - HG3 GLN 103 OK 10 100 - 10 - 4742/1.8=2, 4734/3.0=2...(5) HB VAL 18 - HG3 GLN 103 lone 9 93 - 10 - 4742/1.8=2, 4734/3.0=2 HB3 ASN 118 - HG3 GLN 103 lone 5 85 - 6 - 4742/1.8=1 HG3 GLN 16 - HG3 GLN 103 lone 3 71 - 4 - Peak 4751 from cnoeabs.peaks (1.98, 2.52, 33.36 ppm; 3.50 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 103 + HG3 GLN 103 OK 100 100 - 100 - 3.0=100 HB2 LYS 46 + HG3 GLN 103 OK 52 92 - 57 - 4743/1.8=8, 4.7/4752=6...(22) HB2 MET 11 - HG3 GLN 103 OK 38 100 - 38 - 3.0/4750=6, 4743/1.8=5...(19) HB2 GLU 94 - HG3 GLN 103 OK 15 92 - 16 - 2.9/4749=2, 4743/1.8=2...(6) HG LEU 114 - HG3 GLN 103 OK 11 100 - 11 - 4743/1.8=2, 754/3.5=1...(4) HB3 GLU 94 - HG3 GLN 103 poor 8 60 - 14 - 2.9/4749=2, ~4741=1...(5) HG LEU 45 - HG3 GLN 103 lone 6 97 - 6 - HB2 LEU 41 - HG3 GLN 103 lone 6 100 - 6 - HB ILE 124 - HG3 GLN 103 lone 5 100 - 5 - HB3 PRO 68 - HG3 GLN 103 lone 5 100 - 4 - HG2 PRO 68 - HG3 GLN 103 lone 4 100 - 4 - HB2 LEU 55 - HG3 GLN 103 lone 3 87 - 4 - HG2 PRO 60 - HG3 GLN 103 lone 3 97 - 3 - HB2 ARG 71 - HG3 GLN 103 lone 3 98 - 3 - Peak 4752 from cnoeabs.peaks (2.64, 2.52, 33.36 ppm; 2.57 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 103 + HG3 GLN 103 OK 100 100 - 100 - 1.8=100 HE2 LYS 46 + HG3 GLN 103 OK 45 96 - 48 - 2998=9, 4736/3.0=5...(18) HB3 ASP 123 - HG3 GLN 103 lone 2 83 - 3 - Peak 4753 from cnoeabs.peaks (2.52, 2.52, 33.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 103 + HG3 GLN 103 OK 100 100 - 100 Peak 4754 from cnoeabs.peaks (7.71, 2.52, 33.36 ppm; 3.91 A): 1 out of 7 assignments used, quality = 1.00: * HE21 GLN 103 + HG3 GLN 103 OK 100 100 - 100 - 3.5=100 H LEU 111 - HG3 GLN 103 OK 12 97 - 12 - 4746/1.8=4, 4722/4.0=2...(4) H LEU 58 - HG3 GLN 103 poor 10 95 - 10 - 4746/1.8=3, 4722/4.0=2 H THR 121 - HG3 GLN 103 lone 4 83 - 5 - 4746/1.8=1, 4.0/7775=1 H ASN 118 - HG3 GLN 103 lone 3 65 - 5 - H LEU 126 - HG3 GLN 103 lone 3 92 - 4 - H SER 90 - HG3 GLN 103 lone 3 95 - 3 - Peak 4755 from cnoeabs.peaks (6.90, 2.52, 33.36 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 103 + HG3 GLN 103 OK 100 100 - 100 - 3.5=100 QE TYR 102 - HG3 GLN 103 OK 44 65 - 68 - 2.2/7762=20, ~4740=17...(10) H LYS 46 - HG3 GLN 103 OK 40 100 - 40 - 4747/1.8=9, 4.0/4751=6...(12) HZ3 TRP 20 - HG3 GLN 103 lone 7 100 - 7 - 4747/1.8=1 Peak 4756 from cnoeabs.peaks (7.47, 3.71, 46.42 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 104 + HA2 GLY 104 OK 100 100 - 100 - 3.0=100 H LYS 109 - HA2 GLY 104 OK 16 100 - 16 - 4759/1.8=5, 520/3.6=4...(6) H ALA 43 - HA2 GLY 104 lone 6 81 - 8 - 4759/1.8=2, 6782/8390=2 Peak 4757 from cnoeabs.peaks (3.71, 3.71, 46.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 104 + HA2 GLY 104 OK 100 100 - 100 Peak 4758 from cnoeabs.peaks (3.86, 3.71, 46.42 ppm; 3.15 A): 1 out of 11 assignments used, quality = 1.00: * HA3 GLY 104 + HA2 GLY 104 OK 100 100 - 100 - 1.8=100 HA THR 33 - HA2 GLY 104 lone 10 100 - 10 - 1294/3.0=2, 522/3.6=2...(4) HB THR 33 - HA2 GLY 104 lone 7 99 - 7 - 2579/3.6=2, 4.0/5848=1 HA LEU 77 - HA2 GLY 104 lone 5 87 - 6 - 1294/3.0=1, 522/3.6=1 HA THR 19 - HA2 GLY 104 lone 3 95 - 4 - HA GLU 15 - HA2 GLY 104 lone 3 99 - 3 - 1294/3.0=1 HB2 SER 35 - HA2 GLY 104 lone 3 100 - 3 - HB3 ASN 79 - HA2 GLY 104 lone 2 63 - 4 - HB2 SER 13 - HA2 GLY 104 lone 1 92 - 1 - HA LYS 119 - HA2 GLY 104 lone 1 76 - 2 - HA THR 116 - HA2 GLY 104 lone 1 68 - 1 - Peak 4759 from cnoeabs.peaks (7.47, 3.86, 46.42 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 104 + HA3 GLY 104 OK 100 100 - 100 - 3.0=100 H LYS 109 - HA3 GLY 104 OK 16 100 - 16 - 4756/1.8=5, 520/3.6=4...(5) H ALA 43 - HA3 GLY 104 lone 6 81 - 7 - 4756/1.8=2, 520/3.6=1 Peak 4760 from cnoeabs.peaks (3.71, 3.86, 46.42 ppm; 3.11 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 104 + HA3 GLY 104 OK 100 100 - 100 - 1.8=100 HD3 PRO 30 - HA3 GLY 104 lone 7 73 - 9 - 1293/3.0=2, 2.3/8156=1, ~2352=1 HB2 TRP 20 - HA3 GLY 104 lone 4 98 - 4 - HA3 GLY 86 - HA3 GLY 104 lone 2 99 - 2 - HB3 SER 90 - HA3 GLY 104 lone 1 85 - 1 - HA GLU 73 - HA3 GLY 104 lone 1 60 - 1 - Peak 4761 from cnoeabs.peaks (3.86, 3.86, 46.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 104 + HA3 GLY 104 OK 100 100 - 100 Peak 4762 from cnoeabs.peaks (8.09, 4.38, 55.52 ppm; 3.68 A): 1 out of 12 assignments used, quality = 1.00: * H GLN 105 + HA GLN 105 OK 100 100 - 100 - 2.9=100 HD22 ASN 79 - HA GLN 105 OK 24 85 - 29 - 8143=5, 4770/3.0=4...(12) H THR 33 - HA GLN 105 OK 14 95 - 15 - 4.0/6619=5, 2.9/2632=2...(6) H SER 78 - HA GLN 105 OK 10 92 - 11 - 1655=2, 4.6/1662=2...(5) H GLY 39 - HA GLN 105 OK 10 99 - 10 - 4770/3.0=2, 4778/3.0=1...(4) H GLN 105 - HA MET 11 poor 9 55 - 16 - 1296=3, 7781/3.0=3...(6) H LEU 24 - HA GLN 105 lone 6 100 - 6 - 4770/3.0=1, 523/3.6=1 HD22 ASN 79 - HA MET 11 lone 2 40 - 4 - H SER 78 - HA MET 11 lone 1 45 - 3 - H GLY 39 - HA MET 11 lone 1 52 - 2 - H THR 33 - HA MET 11 lone 1 47 - 1 - H LEU 24 - HA MET 11 lone 1 55 - 1 - Peak 4763 from cnoeabs.peaks (4.38, 4.38, 55.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 105 + HA GLN 105 OK 100 100 - 100 HA MET 11 + HA MET 11 OK 47 47 - 100 Peak 4764 from cnoeabs.peaks (2.08, 4.38, 55.52 ppm; 3.27 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLN 105 + HA GLN 105 OK 100 100 - 100 - 3.0=100 HB2 GLN 16 - HA GLN 105 OK 16 100 - 16 - 3.0/4766=2, 1297/2.9=1...(6) HB3 GLN 16 - HA GLN 105 OK 16 100 - 16 - 3.0/4766=2, 1297/2.9=1...(6) HG3 GLU 69 - HA GLN 105 OK 16 93 - 18 - 3.0/4765=3, ~3779=2...(5) HB2 ARG 57 - HA GLN 105 OK 14 100 - 14 - 1.8/4765=3, 1297/2.9=2...(5) HB3 PRO 70 - HA GLN 105 OK 12 65 - 18 - 1.8/8320=6, 2.3/8321=2...(5) HG LEU 21 - HA MET 11 poor 10 53 - 18 - 2119/2.9=5, ~2133=3...(6) HB ILE 63 - HA GLN 105 lone 7 95 - 7 - 3.0/4765=1 HB2 GLN 105 - HA MET 11 poor 6 55 - 11 - 4771=3, 1.8/4779=2...(4) HB3 GLU 38 - HA GLN 105 lone 5 89 - 6 - 1297/2.9=1 HB2 LEU 114 - HA GLN 105 lone 3 100 - 3 - HB2 GLU 15 - HA GLN 105 lone 3 97 - 4 - HG LEU 21 - HA GLN 105 lone 3 99 - 3 - HB3 PRO 70 - HA MET 11 lone 2 29 - 7 - 1.8/8320=2, 6283/3.6=1 HB2 LEU 101 - HA GLN 105 lone 2 76 - 2 - HB3 ARG 81 - HA GLN 105 lone 2 71 - 2 - HG2 GLU 64 - HA GLN 105 lone 1 100 - 1 - HB2 LEU 101 - HA MET 11 lone 1 35 - 4 - 6283/3.6=1 HB3 GLN 16 - HA MET 11 lone 1 54 - 2 - HB2 GLN 16 - HA MET 11 lone 1 54 - 2 - HB2 LEU 114 - HA MET 11 lone 1 53 - 2 - HB2 GLU 15 - HA MET 11 lone 1 50 - 2 - HG3 PRO 37 - HA GLN 105 lone 1 65 - 1 - HB2 ARG 57 - HA MET 11 lone 1 53 - 1 - HG3 GLU 69 - HA MET 11 lone 1 46 - 1 - HB3 ARG 81 - HA MET 11 lone 1 32 - 2 - HB3 GLU 38 - HA MET 11 lone 0 43 - 1 - HG2 GLU 64 - HA MET 11 lone 0 53 - 1 - HB ILE 63 - HA MET 11 lone 0 47 - 1 - HG3 PRO 37 - HA MET 11 lone 0 29 - 1 - Peak 4765 from cnoeabs.peaks (1.82, 4.38, 55.52 ppm; 3.51 A): 1 out of 26 assignments used, quality = 1.00: * HB3 GLN 105 + HA GLN 105 OK 100 100 - 100 - 3.0=100 HB2 GLU 69 - HA GLN 105 OK 27 92 - 30 - 4779=6, 4773/3.0=4...(14) HB3 ARG 57 - HA GLN 105 OK 17 99 - 18 - 1.8/4764=2, 1298/2.9=2...(5) HG13 ILE 63 - HA GLN 105 lone 9 100 - 9 - 1298/2.9=1, 4773/3.0=1 HB3 GLN 105 - HA MET 11 poor 7 55 - 13 - 4779=3, 1.8/4771=2...(4) HG2 GLU 75 - HA GLN 105 lone 6 100 - 6 - 1298/2.9=1 HG3 ARG 53 - HA GLN 105 lone 5 98 - 5 - 526/3.6=1 HG LEU 41 - HA GLN 105 lone 4 93 - 5 - 1298/2.9=1 HB3 ARG 92 - HA GLN 105 lone 4 96 - 4 - 4.2/1231=2 HB2 PRO 60 - HA GLN 105 lone 4 92 - 4 - HG2 GLU 73 - HA GLN 105 lone 2 83 - 2 - HG3 GLU 73 - HA GLN 105 lone 2 81 - 2 - HG12 ILE 22 - HA GLN 105 lone 2 60 - 2 - HB3 GLU 56 - HA GLN 105 lone 1 68 - 2 - HG3 ARG 53 - HA MET 11 lone 1 51 - 2 - HB2 PRO 60 - HA MET 11 lone 1 45 - 2 - HG LEU 41 - HA MET 11 lone 1 46 - 2 - HB2 GLU 69 - HA MET 11 lone 1 45 - 2 - HB3 ARG 57 - HA MET 11 lone 1 53 - 2 - HG13 ILE 63 - HA MET 11 lone 0 54 - 1 - HG12 ILE 22 - HA MET 11 lone 0 26 - 2 - HB3 ARG 92 - HA MET 11 lone 0 48 - 1 - HG2 GLU 75 - HA MET 11 lone 0 53 - 1 - HG2 GLU 73 - HA MET 11 lone 0 39 - 1 - HG3 GLU 73 - HA MET 11 lone 0 37 - 1 - HB3 GLU 56 - HA MET 11 lone 0 30 - 1 - Peak 4766 from cnoeabs.peaks (2.28, 4.38, 55.52 ppm; 3.22 A): 2 out of 12 assignments used, quality = 0.97: HG3 GLN 105 + HA GLN 105 OK 82 100 - 82 - 4.1=48, 4775/3.0=12...(20) * HG2 GLN 105 + HA GLN 105 OK 82 100 - 82 - 4.1=48, 4775/3.0=12...(20) HB VAL 120 - HA GLN 105 OK 13 92 - 14 - 3.8/5850=3, 2.1/8064=2...(8) HG2 GLN 16 - HA GLN 105 OK 12 78 - 16 - 3.0/4764=2, 3.0/4764=2...(7) HG2 GLN 105 - HA MET 11 lone 4 55 - 7 - 3.0/4771=1, 3.0/4779=1 HG3 GLN 105 - HA MET 11 lone 4 54 - 7 - 3.0/4771=1, 3.0/4779=1 HG3 GLU 94 - HA GLN 105 lone 3 93 - 3 - HB2 CYS 87 - HA GLN 105 lone 2 93 - 2 - HB VAL 120 - HA MET 11 lone 1 45 - 3 - HG2 GLN 16 - HA MET 11 lone 1 36 - 2 - HG3 GLU 94 - HA MET 11 lone 1 46 - 1 - HB2 CYS 87 - HA MET 11 lone 0 46 - 1 - Peak 4767 from cnoeabs.peaks (2.28, 4.38, 55.52 ppm; 3.22 A): 2 out of 12 assignments used, quality = 0.97: * HG3 GLN 105 + HA GLN 105 OK 82 100 - 82 - 4.1=48, 4775/3.0=12...(20) HG2 GLN 105 + HA GLN 105 OK 82 100 - 82 - 4.1=48, 4775/3.0=12...(20) HB VAL 120 - HA GLN 105 OK 13 90 - 14 - 3.8/5850=3, 2.1/8064=2...(8) HG2 GLN 16 - HA GLN 105 OK 12 76 - 16 - 3.0/4764=2, 3.0/4764=2...(7) HG3 GLN 105 - HA MET 11 lone 4 55 - 7 - 3.0/4771=1, 3.0/4779=1 HG2 GLN 105 - HA MET 11 lone 4 54 - 7 - 3.0/4771=1, 3.0/4779=1 HG3 GLU 94 - HA GLN 105 lone 3 95 - 3 - HB2 CYS 87 - HA GLN 105 lone 2 95 - 2 - HB VAL 120 - HA MET 11 lone 1 44 - 3 - HG2 GLN 16 - HA MET 11 lone 1 35 - 2 - HG3 GLU 94 - HA MET 11 lone 1 47 - 1 - HB2 CYS 87 - HA MET 11 lone 0 47 - 1 - Peak 4770 from cnoeabs.peaks (8.09, 2.08, 29.98 ppm; 3.89 A): 1 out of 12 assignments used, quality = 0.96: * H GLN 105 + HB2 GLN 105 OK 96 100 - 96 - 4.0=89, 1298/1.8=25...(11) HD22 ASN 79 - HB2 GLN 105 OK 27 85 - 33 - 4778/1.8=5, 8143/3.0=5...(15) H GLY 39 - HB2 GLN 105 OK 12 99 - 12 - 4778/1.8=2, 4762/3.0=2...(4) H SER 78 - HB2 GLN 105 OK 11 92 - 12 - 4.6/8674=2, 1655/3.0=2...(5) H THR 33 - HB2 GLN 105 poor 10 95 - 10 - 4762/3.0=2, 4778/1.8=2 H LEU 24 - HB2 GLN 105 lone 8 100 - 8 - 4778/1.8=1, 523/4.1=1 H SER 78 - HB3 ARG 81 poor 5 31 - 15 - 2.9/7449=4, ~7450=4...(4) H GLY 39 - HB3 ARG 81 lone 1 36 - 4 - H GLN 105 - HB3 ARG 81 lone 1 38 - 3 - H LEU 24 - HB3 ARG 81 lone 1 38 - 3 - HD22 ASN 79 - HB3 ARG 81 lone 1 28 - 4 - 5.6/8674=1 H THR 33 - HB3 ARG 81 lone 0 33 - 1 - Peak 4771 from cnoeabs.peaks (4.38, 2.08, 29.98 ppm; 3.32 A): 1 out of 14 assignments used, quality = 1.00: * HA GLN 105 + HB2 GLN 105 OK 100 100 - 100 - 3.0=100 HA ASP 100 - HB2 GLN 105 OK 29 63 - 46 - 7695/1.8=10, 7696=8...(11) HA LEU 93 - HB2 GLN 105 OK 16 100 - 15 - 4779/1.8=3, 7599/3.0=2...(8) HA MET 11 - HB2 GLN 105 poor 10 95 - 10 - 4779/1.8=2, 4764=1...(4) HB THR 116 - HB2 GLN 105 lone 9 99 - 9 - 4779/1.8=2, ~7991=1, 524/4.1=1 HA CYS 76 - HB2 GLN 105 poor 8 78 - 10 - 6099/4.0=1, 4779/1.8=1 HA SER 35 - HB2 GLN 105 lone 3 100 - 3 - HB THR 116 - HB3 ARG 81 lone 3 36 - 7 - ~8605=2, ~7990=1, ~7438=1 HA GLN 105 - HB3 ARG 81 lone 1 38 - 3 - HA MET 11 - HB3 ARG 81 lone 1 33 - 2 - HA CYS 76 - HB3 ARG 81 lone 1 25 - 3 - HA ASP 100 - HB3 ARG 81 lone 1 19 - 3 - HA LEU 93 - HB3 ARG 81 lone 0 38 - 1 - HA SER 35 - HB3 ARG 81 lone 0 38 - 1 - Peak 4772 from cnoeabs.peaks (2.08, 2.08, 29.98 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 105 + HB2 GLN 105 OK 100 100 - 100 HB3 ARG 81 - HB3 ARG 81 OK 22 22 - 100 Peak 4773 from cnoeabs.peaks (1.82, 2.08, 29.98 ppm; 2.69 A): 1 out of 26 assignments used, quality = 1.00: * HB3 GLN 105 + HB2 GLN 105 OK 100 100 - 100 - 1.8=100 HB2 GLU 69 - HB2 GLN 105 OK 21 92 - 23 - 4780=3, 1.8/3776=2...(11) HB3 ARG 57 - HB3 ARG 81 OK 13 37 - 36 - 3309=4, 3922/1.8=2...(16) HB3 ARG 57 - HB2 GLN 105 OK 13 99 - 13 - 3309=2, 4765/3.0=1 HG13 ILE 63 - HB3 ARG 81 OK 11 38 - 29 - 3526/4.3=2, 3922/1.8=2...(13) HG13 ILE 63 - HB2 GLN 105 lone 7 100 - 6 - HG2 GLU 75 - HB2 GLN 105 lone 5 100 - 5 - HB3 GLU 56 - HB3 ARG 81 poor 3 21 - 15 - ~6114=2, ~4115=1, ~4122=1 HG2 GLU 73 - HB3 ARG 81 poor 3 27 - 11 - 3922/1.8=1, 2.9/4115=1 HG3 ARG 53 - HB2 GLN 105 lone 3 98 - 3 - HG3 GLU 73 - HB3 ARG 81 poor 3 26 - 11 - 3922/1.8=1, 2.9/4115=1 HG LEU 41 - HB2 GLN 105 lone 2 93 - 3 - HB2 PRO 60 - HB2 GLN 105 lone 2 92 - 2 - HB3 ARG 92 - HB2 GLN 105 lone 2 96 - 2 - HG3 ARG 53 - HB3 ARG 81 lone 2 36 - 4 - HG2 GLU 73 - HB2 GLN 105 lone 1 83 - 2 - HG3 GLU 73 - HB2 GLN 105 lone 1 81 - 2 - HB3 ARG 92 - HB3 ARG 81 lone 1 34 - 3 - HB2 PRO 60 - HB3 ARG 81 lone 1 31 - 4 - HB3 GLU 56 - HB2 GLN 105 lone 1 68 - 1 - HG12 ILE 22 - HB2 GLN 105 lone 1 60 - 1 - HB3 GLN 105 - HB3 ARG 81 lone 1 38 - 2 - HG2 GLU 75 - HB3 ARG 81 lone 1 38 - 2 - HG LEU 41 - HB3 ARG 81 lone 0 32 - 1 - HG12 ILE 22 - HB3 ARG 81 lone 0 18 - 2 - HB2 GLU 69 - HB3 ARG 81 lone 0 31 - 1 - Peak 4774 from cnoeabs.peaks (2.28, 2.08, 29.98 ppm; 2.99 A): 2 out of 12 assignments used, quality = 1.00: * HG2 GLN 105 + HB2 GLN 105 OK 99 100 - 99 - 3.0=98, 4767/3.0=9...(13) HG3 GLN 105 + HB2 GLN 105 OK 99 100 - 99 - 3.0=98, 4767/3.0=9...(13) HG2 GLN 16 - HB2 GLN 105 OK 14 78 - 18 - 1.8/1969=2, 4782/1.8=2...(7) HB VAL 120 - HB2 GLN 105 OK 11 92 - 12 - 3.8/5851=2, 4782/1.8=1 HG3 GLU 94 - HB2 GLN 105 lone 2 93 - 2 - HB2 CYS 87 - HB2 GLN 105 lone 2 93 - 2 - HB VAL 120 - HB3 ARG 81 lone 2 31 - 5 - 6259/3.0=1, ~8060=1 HG2 GLN 105 - HB3 ARG 81 lone 1 38 - 2 - HG3 GLN 105 - HB3 ARG 81 lone 1 38 - 2 - HG2 GLN 16 - HB3 ARG 81 lone 1 25 - 2 - HB2 CYS 87 - HB3 ARG 81 lone 0 32 - 1 - HG3 GLU 94 - HB3 ARG 81 lone 0 32 - 0 - Peak 4775 from cnoeabs.peaks (2.28, 2.08, 29.98 ppm; 2.99 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLN 105 + HB2 GLN 105 OK 99 100 - 99 - 3.0=98, 4767/3.0=9...(13) HG2 GLN 105 + HB2 GLN 105 OK 99 100 - 99 - 3.0=98, 4767/3.0=9...(13) HG2 GLN 16 - HB2 GLN 105 OK 14 76 - 18 - 1.8/1969=2, 4782/1.8=2...(7) HB VAL 120 - HB2 GLN 105 OK 11 90 - 12 - 3.8/5851=2, 4782/1.8=1 HG3 GLU 94 - HB2 GLN 105 lone 2 95 - 2 - HB2 CYS 87 - HB2 GLN 105 lone 2 95 - 2 - HB VAL 120 - HB3 ARG 81 lone 1 31 - 5 - 6259/3.0=1, ~8060=1 HG2 GLN 105 - HB3 ARG 81 lone 1 38 - 2 - HG3 GLN 105 - HB3 ARG 81 lone 1 38 - 2 - HG2 GLN 16 - HB3 ARG 81 lone 1 24 - 2 - HB2 CYS 87 - HB3 ARG 81 lone 0 33 - 1 - HG3 GLU 94 - HB3 ARG 81 lone 0 33 - 0 - Peak 4778 from cnoeabs.peaks (8.09, 1.82, 29.98 ppm; 3.68 A): 3 out of 12 assignments used, quality = 0.94: * H GLN 105 + HB3 GLN 105 OK 90 100 - 90 - 4.0=75, 4770/1.8=19...(11) HD22 ASN 79 + HB3 GLN 105 OK 23 85 - 28 - 4770/1.8=5, 8143/3.0=4...(11) H GLN 105 + HB2 GLU 69 OK 18 92 - 19 - 1298=5, 2.9/4765=4...(7) H GLY 39 - HB3 GLN 105 lone 10 99 - 10 - 4770/1.8=2, 4762/3.0=2 H THR 33 - HB3 GLN 105 lone 9 95 - 9 - 4762/3.0=2, 4770/1.8=2 H SER 78 - HB3 GLN 105 lone 9 92 - 9 - 4770/1.8=2, 1655/3.0=2 HD22 ASN 79 - HB2 GLU 69 poor 8 73 - 11 - 8144/3.6=4, 7385/4.8=3...(4) H GLY 39 - HB2 GLU 69 lone 7 89 - 8 - 933/4.8=2, 154/1.8=1, 8144/3.6=1 H LEU 24 - HB3 GLN 105 lone 7 100 - 7 - 4770/1.8=2 H LEU 24 - HB2 GLU 69 lone 4 92 - 4 - 1575/3.0=1 H SER 78 - HB2 GLU 69 lone 2 80 - 3 - H THR 33 - HB2 GLU 69 lone 2 83 - 2 - Peak 4779 from cnoeabs.peaks (4.38, 1.82, 29.98 ppm; 3.41 A): 1 out of 14 assignments used, quality = 1.00: * HA GLN 105 + HB3 GLN 105 OK 100 100 - 100 - 3.0=100 HA ASP 100 - HB3 GLN 105 OK 30 63 - 48 - 7695=14, 7696/1.8=7...(10) HA GLN 105 - HB2 GLU 69 OK 26 92 - 29 - 4765=6, 3.0/4773=3...(14) HA LEU 93 - HB3 GLN 105 OK 17 100 - 17 - 4771/1.8=3, 7599/3.0=2...(8) HA MET 11 - HB3 GLN 105 OK 11 95 - 11 - 4771/1.8=2, 4765=2...(4) HB THR 116 - HB3 GLN 105 lone 10 99 - 10 - 4771/1.8=2, ~7991=1, 524/4.1=1 HA CYS 76 - HB3 GLN 105 lone 8 78 - 10 - 4771/1.8=2, 6099/4.0=1...(4) HA SER 35 - HB3 GLN 105 lone 3 100 - 3 - HA CYS 76 - HB2 GLU 69 lone 3 66 - 4 - ~7331=1 HA ASP 100 - HB2 GLU 69 lone 2 52 - 4 - HA MET 11 - HB2 GLU 69 lone 1 83 - 2 - HA LEU 93 - HB2 GLU 69 lone 1 91 - 1 - HB THR 116 - HB2 GLU 69 lone 1 89 - 1 - HA SER 35 - HB2 GLU 69 lone 0 91 - 1 - Peak 4780 from cnoeabs.peaks (2.08, 1.82, 29.98 ppm; 2.62 A): 2 out of 30 assignments used, quality = 1.00: * HB2 GLN 105 + HB3 GLN 105 OK 100 100 - 100 - 1.8=100 HG3 GLU 69 + HB2 GLU 69 OK 64 82 - 78 - 3.0=67, ~3780=8...(9) HB2 GLN 105 - HB2 GLU 69 OK 20 92 - 22 - 4773=5, 3776/1.8=2...(10) HB3 PRO 70 - HB2 GLU 69 OK 18 55 - 32 - 3776/1.8=4, 1105/3.6=3...(16) HG3 GLU 69 - HB3 GLN 105 OK 14 93 - 16 - 1.8/3779=3, 3.0/3773=2...(5) HB2 GLN 16 - HB3 GLN 105 OK 13 100 - 13 - 1946/3.0=1, 4764/3.0=1 HB3 GLN 16 - HB3 GLN 105 OK 13 100 - 13 - 1954/3.0=1, 4764/3.0=1 HB2 GLU 15 - HB2 GLU 69 OK 12 87 - 14 - 1913/3.0=3, 1.8/3769=2...(4) HB2 ARG 57 - HB3 GLN 105 OK 12 100 - 12 - 3302=1, ~4773=1 HG2 GLU 64 - HB2 GLU 69 lone 7 91 - 7 - HB3 PRO 70 - HB3 GLN 105 lone 6 65 - 10 - ~8320=2 HB ILE 63 - HB2 GLU 69 lone 6 83 - 7 - HB ILE 63 - HB3 GLN 105 lone 6 95 - 6 - HG LEU 21 - HB2 GLU 69 lone 6 90 - 6 - HB2 ARG 57 - HB2 GLU 69 lone 4 91 - 4 - HB2 LEU 114 - HB2 GLU 69 lone 3 91 - 4 - HB3 GLU 38 - HB3 GLN 105 lone 3 89 - 4 - HB2 LEU 101 - HB2 GLU 69 lone 3 64 - 5 - HG LEU 21 - HB3 GLN 105 lone 2 99 - 2 - HB2 GLU 15 - HB3 GLN 105 lone 2 97 - 2 - HB3 GLN 16 - HB2 GLU 69 lone 2 91 - 2 - HB2 GLN 16 - HB2 GLU 69 lone 2 92 - 2 - HB2 LEU 114 - HB3 GLN 105 lone 2 100 - 2 - HB3 GLU 38 - HB2 GLU 69 lone 2 77 - 2 - HG2 GLU 64 - HB3 GLN 105 lone 1 100 - 1 - HB3 ARG 81 - HB3 GLN 105 lone 1 71 - 2 - HB2 LEU 101 - HB3 GLN 105 lone 1 76 - 2 - HG3 PRO 37 - HB3 GLN 105 lone 1 65 - 1 - HG3 PRO 37 - HB2 GLU 69 lone 0 55 - 1 - HB3 ARG 81 - HB2 GLU 69 lone 0 59 - 1 - Peak 4781 from cnoeabs.peaks (1.82, 1.82, 29.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 105 + HB3 GLN 105 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 80 80 - 100 Peak 4782 from cnoeabs.peaks (2.28, 1.82, 29.98 ppm; 3.05 A): 2 out of 12 assignments used, quality = 1.00: * HG2 GLN 105 + HB3 GLN 105 OK 100 100 - 100 - 3.0=100 HG3 GLN 105 + HB3 GLN 105 OK 100 100 - 100 - 3.0=100 HG2 GLN 105 - HB2 GLU 69 OK 19 92 - 21 - 3.0/4773=3, 4797=3...(8) HG3 GLN 105 - HB2 GLU 69 OK 19 92 - 21 - 3.0/4773=3, 4797=3...(8) HG2 GLN 16 - HB3 GLN 105 OK 16 78 - 20 - 4774/1.8=2, ~1969=1...(8) HB VAL 120 - HB3 GLN 105 OK 12 92 - 13 - 3.8/5852=2, 4774/1.8=2 HG3 GLU 94 - HB3 GLN 105 lone 2 93 - 2 - HB2 CYS 87 - HB3 GLN 105 lone 2 93 - 2 - HG2 GLN 16 - HB2 GLU 69 lone 1 66 - 2 - HG3 GLU 94 - HB2 GLU 69 lone 1 82 - 1 - HB VAL 120 - HB2 GLU 69 lone 1 80 - 1 - HB2 CYS 87 - HB2 GLU 69 lone 0 82 - 1 - Peak 4783 from cnoeabs.peaks (2.28, 1.82, 29.98 ppm; 3.05 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLN 105 + HB3 GLN 105 OK 100 100 - 100 - 3.0=100 HG2 GLN 105 + HB3 GLN 105 OK 100 100 - 100 - 3.0=100 HG3 GLN 105 - HB2 GLU 69 OK 19 92 - 21 - 3.0/4773=3, 4797=3...(8) HG2 GLN 105 - HB2 GLU 69 OK 19 92 - 21 - 3.0/4773=3, 4797=3...(8) HG2 GLN 16 - HB3 GLN 105 OK 15 76 - 20 - 4774/1.8=2, ~1969=1...(8) HB VAL 120 - HB3 GLN 105 OK 11 90 - 13 - 3.8/5852=2, 4774/1.8=2 HG3 GLU 94 - HB3 GLN 105 lone 2 95 - 2 - HB2 CYS 87 - HB3 GLN 105 lone 2 95 - 2 - HG3 GLU 94 - HB2 GLU 69 lone 1 83 - 1 - HG2 GLN 16 - HB2 GLU 69 lone 1 64 - 2 - HB VAL 120 - HB2 GLU 69 lone 1 78 - 1 - HB2 CYS 87 - HB2 GLU 69 lone 0 83 - 1 - Peak 4784 from cnoeabs.peaks (7.43, 1.82, 29.98 ppm; 5.22 A): 1 out of 8 assignments used, quality = 1.00: * HE21 GLN 105 + HB3 GLN 105 OK 100 100 - 100 - 4.5=100 HD21 ASN 79 - HB3 GLN 105 OK 39 81 - 48 - ~8143=7, ~4770=6...(17) HE21 GLN 105 - HB2 GLU 69 OK 21 92 - 23 - 4.5/4773=4, 5.9/4765=4...(8) HD21 ASN 79 - HB2 GLU 69 OK 14 69 - 21 - 7276/4.8=10, 8145/3.6=5...(4) H SER 72 - HB3 GLN 105 OK 13 99 - 13 - 4.6/8415=2, 768/3.0=2...(7) H SER 72 - HB2 GLU 69 OK 11 89 - 12 - 7287/4.8=6, 770=1, 4.6/8415=1 H LYS 32 - HB2 GLU 69 poor 10 80 - 12 - 6611/3.0=3, 6610/1.8=2...(4) H LYS 32 - HB3 GLN 105 lone 7 92 - 8 - 4.6/4778=2, 1445/4.0=2 Peak 4786 from cnoeabs.peaks (8.09, 2.28, 33.51 ppm; 3.70 A): 2 out of 18 assignments used, quality = 0.96: * H GLN 105 + HG2 GLN 105 OK 81 100 - 81 - 5.0=40, 1300/1.8=18...(12) H GLN 105 + HG3 GLN 105 OK 81 100 - 81 - 5.0=40, 1300/1.8=18...(12) HD22 ASN 79 - HG2 GLN 105 OK 22 85 - 27 - 4770/3.0=4, 4778/3.0=3...(12) HD22 ASN 79 - HG3 GLN 105 OK 22 85 - 27 - 4770/3.0=4, 4778/3.0=3...(12) H GLY 39 - HG2 GLN 105 lone 7 99 - 7 - 4770/3.0=2, 4778/3.0=1 H GLY 39 - HG3 GLN 105 lone 7 99 - 7 - 4770/3.0=2, 4778/3.0=1 H THR 33 - HG2 GLN 105 lone 7 95 - 7 - 4762/4.1=2, 4770/3.0=1...(4) H THR 33 - HG3 GLN 105 lone 7 94 - 7 - 4762/4.1=2, 4770/3.0=1...(4) H SER 78 - HG3 GLN 105 lone 6 92 - 7 - 4770/3.0=2, 1655/4.1=2 H SER 78 - HG2 GLN 105 lone 6 92 - 7 - 4770/3.0=2, 1655/4.1=2 H GLN 105 - HG2 GLN 16 poor 6 40 - 14 - 1299=2, 2.9/4766=2...(6) H LEU 24 - HG2 GLN 105 lone 5 100 - 5 - 4770/3.0=1, 4778/3.0=1 H LEU 24 - HG3 GLN 105 lone 5 100 - 5 - 4770/3.0=1, 4778/3.0=1 H LEU 24 - HG2 GLN 16 lone 1 40 - 1 - HD22 ASN 79 - HG2 GLN 16 lone 1 29 - 2 - H GLY 39 - HG2 GLN 16 lone 0 38 - 1 - H THR 33 - HG2 GLN 16 lone 0 35 - 1 - H SER 78 - HG2 GLN 16 lone 0 33 - 1 - Peak 4787 from cnoeabs.peaks (4.38, 2.28, 33.51 ppm; 3.40 A): 2 out of 21 assignments used, quality = 0.99: HA GLN 105 + HG3 GLN 105 OK 88 100 - 88 - 4.1=57, 4767/1.8=15...(20) * HA GLN 105 + HG2 GLN 105 OK 88 100 - 88 - 4.1=57, 4767/1.8=15...(20) HA ASP 100 - HG2 GLN 105 OK 25 63 - 40 - 7697=9, 7695/3.0=8...(10) HA ASP 100 - HG3 GLN 105 OK 25 63 - 40 - 7697=9, 7695/3.0=8...(10) HA LEU 93 - HG3 GLN 105 OK 22 100 - 21 - 7599/1.8=3, 7599=2...(8) HA LEU 93 - HG2 GLN 105 OK 22 100 - 21 - 7599/1.8=2, 7599=2...(8) HB THR 116 - HG2 GLN 105 OK 11 99 - 11 - 2.1/7991=3, ~7991=2...(4) HB THR 116 - HG3 GLN 105 OK 11 99 - 11 - 2.1/7991=3, ~7991=2...(4) HA GLN 105 - HG2 GLN 16 poor 8 40 - 20 - 4766=3, 4764/3.0=2...(9) HA MET 11 - HG2 GLN 105 lone 7 95 - 8 - 4771/3.0=1, 4779/3.0=1 HA MET 11 - HG3 GLN 105 lone 7 94 - 8 - 4771/3.0=1, 4779/3.0=1 HA CYS 76 - HG2 GLN 105 lone 5 78 - 7 - 4771/3.0=1, 6099/5.0=1 HA CYS 76 - HG3 GLN 105 lone 5 78 - 7 - 4771/3.0=1, 6099/5.0=1 HA SER 35 - HG2 GLN 105 lone 3 100 - 3 - HA SER 35 - HG3 GLN 105 lone 3 100 - 3 - HB THR 116 - HG2 GLN 16 lone 1 38 - 3 - HA MET 11 - HG2 GLN 16 lone 1 35 - 2 - HA ASP 100 - HG2 GLN 16 lone 1 20 - 3 - HA LEU 93 - HG2 GLN 16 lone 0 40 - 1 - HA CYS 76 - HG2 GLN 16 lone 0 26 - 1 - HA SER 35 - HG2 GLN 16 lone 0 40 - 1 - Peak 4788 from cnoeabs.peaks (2.08, 2.28, 33.51 ppm; 2.78 A): 2 out of 45 assignments used, quality = 0.99: * HB2 GLN 105 + HG2 GLN 105 OK 88 100 - 88 - 3.0=79, 4775/1.8=13...(12) HB2 GLN 105 + HG3 GLN 105 OK 88 100 - 88 - 3.0=79, 4775/1.8=13...(12) HB2 GLN 16 - HG2 GLN 16 OK 34 40 - 84 - 3.0=79, 3.0/1938=7...(6) HB3 GLN 16 - HG2 GLN 16 OK 34 40 - 84 - 3.0=79, 3.0/1938=7...(6) HB2 GLN 16 - HG2 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 3.0/1938=2...(12) HB3 GLN 16 - HG2 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 3.0/1938=2...(12) HB2 GLN 16 - HG3 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 1946/1.8=2...(11) HB3 GLN 16 - HG3 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 1954/1.8=2...(11) HG3 GLU 69 - HG2 GLN 105 OK 11 93 - 12 - 3.0/4783=1, 3785/3.0=1...(4) HG3 GLU 69 - HG3 GLN 105 OK 11 93 - 12 - 3.0/4783=1, 3785/3.0=1...(4) HB2 ARG 57 - HG2 GLN 105 lone 9 100 - 9 - HB2 ARG 57 - HG3 GLN 105 lone 9 100 - 9 - HB2 GLN 105 - HG2 GLN 16 poor 7 40 - 16 - 4774=2, 1969/1.8=2...(6) HB2 GLU 15 - HG2 GLN 16 poor 6 37 - 16 - 5445/4.9=4, 1969/1.8=2...(4) HB ILE 63 - HG2 GLN 105 lone 4 95 - 5 - HB ILE 63 - HG3 GLN 105 lone 4 94 - 5 - HB3 PRO 70 - HG2 GLN 105 lone 4 65 - 6 - HB3 PRO 70 - HG3 GLN 105 lone 4 65 - 6 - HB2 ARG 57 - HG2 GLN 16 lone 3 39 - 8 - ~7046=3, 1969/1.8=1 HB2 GLU 15 - HG2 GLN 105 lone 3 97 - 3 - HB2 GLU 15 - HG3 GLN 105 lone 3 97 - 3 - HB3 GLU 38 - HG2 GLN 105 lone 2 89 - 2 - HB3 GLU 38 - HG3 GLN 105 lone 2 89 - 2 - HB2 LEU 114 - HG2 GLN 105 lone 2 100 - 2 - HB2 LEU 114 - HG3 GLN 105 lone 2 100 - 2 - HG LEU 21 - HG2 GLN 105 lone 2 99 - 2 - HG LEU 21 - HG3 GLN 105 lone 2 99 - 2 - HB2 LEU 114 - HG2 GLN 16 lone 2 39 - 5 - HB ILE 63 - HG2 GLN 16 lone 2 35 - 5 - 4.0/7134=1 HG LEU 21 - HG2 GLN 16 lone 1 39 - 3 - HB2 LEU 101 - HG2 GLN 105 lone 1 76 - 1 - HB2 LEU 101 - HG3 GLN 105 lone 1 76 - 1 - HB3 ARG 81 - HG2 GLN 105 lone 1 71 - 1 - HB3 ARG 81 - HG3 GLN 105 lone 1 71 - 1 - HG2 GLU 64 - HG2 GLN 105 lone 1 100 - 1 - HG2 GLU 64 - HG3 GLN 105 lone 1 100 - 1 - HG3 PRO 37 - HG2 GLN 16 lone 1 21 - 4 - HG3 PRO 37 - HG2 GLN 105 lone 1 65 - 1 - HG3 PRO 37 - HG3 GLN 105 lone 1 65 - 1 - HB2 LEU 101 - HG2 GLN 16 lone 1 25 - 2 - HG3 GLU 69 - HG2 GLN 16 lone 1 34 - 2 - HG2 GLU 64 - HG2 GLN 16 lone 0 39 - 1 - HB3 GLU 38 - HG2 GLN 16 lone 0 31 - 1 - HB3 PRO 70 - HG2 GLN 16 lone 0 21 - 2 - HB3 ARG 81 - HG2 GLN 16 lone 0 23 - 1 - Peak 4789 from cnoeabs.peaks (1.82, 2.28, 33.51 ppm; 3.22 A): 2 out of 39 assignments used, quality = 1.00: * HB3 GLN 105 + HG2 GLN 105 OK 100 100 - 100 - 3.0=100 HB3 GLN 105 + HG3 GLN 105 OK 100 100 - 100 - 3.0=100 HB2 GLU 69 - HG2 GLN 105 OK 22 92 - 24 - 4783=3, 4773/3.0=3...(11) HB2 GLU 69 - HG3 GLN 105 OK 22 92 - 24 - 4783=3, 4773/3.0=3...(11) HB3 ARG 57 - HG3 GLN 105 OK 13 99 - 13 - 4773/3.0=2, 4765/4.1=1 HB3 ARG 57 - HG2 GLN 105 OK 13 99 - 13 - 4773/3.0=2, 4765/4.1=1 HB3 GLN 105 - HG2 GLN 16 poor 9 40 - 24 - 4782=3, 1.8/4774=2...(11) HG13 ILE 63 - HG2 GLN 105 lone 7 100 - 7 - 4773/3.0=1 HG13 ILE 63 - HG3 GLN 105 lone 7 100 - 7 - 4773/3.0=1 HB3 ARG 57 - HG2 GLN 16 poor 5 39 - 13 - ~7046=5 HG2 GLU 75 - HG2 GLN 105 lone 5 100 - 5 - HG2 GLU 75 - HG3 GLN 105 lone 5 100 - 5 - HG3 ARG 53 - HG2 GLN 105 lone 3 98 - 4 - HG3 ARG 53 - HG3 GLN 105 lone 3 98 - 4 - HB3 ARG 92 - HG3 GLN 105 lone 3 96 - 4 - 4.2/7596=1 HB3 ARG 92 - HG2 GLN 105 lone 3 96 - 4 - 4.2/7596=1 HG LEU 41 - HG3 GLN 105 lone 3 93 - 3 - HG LEU 41 - HG2 GLN 105 lone 3 93 - 3 - HG13 ILE 63 - HG2 GLN 16 lone 2 40 - 6 - 3526/4.9=1, 5.2/7134=1 HB2 PRO 60 - HG2 GLN 105 lone 2 92 - 2 - HB2 PRO 60 - HG3 GLN 105 lone 2 92 - 2 - HG2 GLU 73 - HG2 GLN 105 lone 2 83 - 2 - HG2 GLU 73 - HG3 GLN 105 lone 2 83 - 2 - HG3 GLU 73 - HG2 GLN 105 lone 1 81 - 2 - HG3 GLU 73 - HG3 GLN 105 lone 1 81 - 2 - HB2 PRO 60 - HG2 GLN 16 lone 1 33 - 3 - HG12 ILE 22 - HG2 GLN 105 lone 1 60 - 1 - HG12 ILE 22 - HG3 GLN 105 lone 1 60 - 1 - HB3 GLU 56 - HG2 GLN 105 lone 1 68 - 1 - HB3 GLU 56 - HG3 GLN 105 lone 1 68 - 1 - HB3 GLU 56 - HG2 GLN 16 lone 1 22 - 3 - HB2 GLU 69 - HG2 GLN 16 lone 1 33 - 2 - HG3 ARG 53 - HG2 GLN 16 lone 0 38 - 1 - HG2 GLU 75 - HG2 GLN 16 lone 0 39 - 1 - HG LEU 41 - HG2 GLN 16 lone 0 34 - 1 - HB3 ARG 92 - HG2 GLN 16 lone 0 35 - 0 - HG12 ILE 22 - HG2 GLN 16 lone 0 19 - 1 - HG2 GLU 73 - HG2 GLN 16 lone 0 28 - 0 - HG3 GLU 73 - HG2 GLN 16 lone 0 27 - 0 - Peak 4790 from cnoeabs.peaks (2.28, 2.28, 33.51 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 105 + HG2 GLN 105 OK 100 100 - 100 HG3 GLN 105 + HG3 GLN 105 OK 100 100 - 100 HG2 GLN 16 - HG2 GLN 16 OK 26 26 - 100 Peak 4791 from cnoeabs.peaks (2.28, 2.28, 33.51 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG3 GLN 105 + HG3 GLN 105 OK 100 100 - 100 HG2 GLN 105 + HG2 GLN 105 OK 100 100 - 100 HG2 GLN 16 - HG2 GLN 16 OK 25 25 - 100 Reference assignment not found: HG3 GLN 105 - HG2 GLN 105 Peak 4792 from cnoeabs.peaks (7.43, 2.28, 33.51 ppm; 3.71 A): 2 out of 12 assignments used, quality = 1.00: * HE21 GLN 105 + HG2 GLN 105 OK 100 100 - 100 - 3.5=100 HE21 GLN 105 + HG3 GLN 105 OK 100 100 - 100 - 3.5=100 HD21 ASN 79 - HG2 GLN 105 OK 19 81 - 24 - 1.7/4794=3, 4784/3.0=3...(11) HD21 ASN 79 - HG3 GLN 105 OK 19 81 - 24 - 1.7/4794=3, 4784/3.0=3...(11) H SER 72 - HG2 GLN 105 lone 7 99 - 7 - 772=1, 781/3.5=1...(4) H SER 72 - HG3 GLN 105 lone 7 99 - 7 - 772=1, 781/3.5=1...(4) HE21 GLN 105 - HG2 GLN 16 lone 3 40 - 8 - 4.5/4774=1, 4.5/4782=1...(5) H LYS 32 - HG2 GLN 105 lone 3 92 - 3 - H LYS 32 - HG3 GLN 105 lone 3 92 - 3 - HD21 ASN 79 - HG2 GLN 16 lone 0 27 - 2 - H SER 72 - HG2 GLN 16 lone 0 38 - 1 - H LYS 32 - HG2 GLN 16 lone 0 33 - 1 - Peak 4793 from cnoeabs.peaks (6.85, 2.28, 33.51 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: * HE22 GLN 105 + HG2 GLN 105 OK 100 100 - 100 - 3.5=100 HE22 GLN 105 + HG3 GLN 105 OK 100 100 - 100 - 3.5=100 HE22 GLN 105 - HG2 GLN 16 lone 4 40 - 10 - 4.5/4774=2, 4.5/4782=2...(6) QE TYR 102 - HG2 GLN 105 lone 2 81 - 2 - QE TYR 102 - HG3 GLN 105 lone 2 81 - 2 - QE TYR 102 - HG2 GLN 16 lone 0 27 - 1 - Peak 4794 from cnoeabs.peaks (8.09, 2.28, 33.51 ppm; 3.66 A): 2 out of 18 assignments used, quality = 0.96: * H GLN 105 + HG3 GLN 105 OK 80 100 - 80 - 5.0=38, 1300/1.8=18...(12) H GLN 105 + HG2 GLN 105 OK 80 100 - 80 - 5.0=38, 1300/1.8=18...(12) HD22 ASN 79 - HG3 GLN 105 OK 22 85 - 26 - 4770/3.0=4, 4778/3.0=3...(11) HD22 ASN 79 - HG2 GLN 105 OK 22 85 - 26 - 4770/3.0=4, 4778/3.0=3...(11) H GLY 39 - HG3 GLN 105 lone 7 99 - 7 - 4770/3.0=2, 4778/3.0=1 H GLY 39 - HG2 GLN 105 lone 7 99 - 7 - 4770/3.0=2, 4778/3.0=1 H THR 33 - HG3 GLN 105 lone 7 95 - 7 - 4762/4.1=2, 4770/3.0=1 H THR 33 - HG2 GLN 105 lone 7 94 - 7 - 4762/4.1=2, 4770/3.0=1 H SER 78 - HG3 GLN 105 lone 6 92 - 7 - 4770/3.0=2, 1655/4.1=1 H SER 78 - HG2 GLN 105 lone 6 92 - 7 - 4770/3.0=2, 1655/4.1=1 H GLN 105 - HG2 GLN 16 poor 5 39 - 14 - 1299=2, 2.9/4766=2...(6) H LEU 24 - HG2 GLN 105 lone 5 100 - 5 - 4770/3.0=1, 4778/3.0=1 H LEU 24 - HG3 GLN 105 lone 5 100 - 5 - 4770/3.0=1, 4778/3.0=1 H LEU 24 - HG2 GLN 16 lone 1 39 - 1 - HD22 ASN 79 - HG2 GLN 16 lone 0 28 - 2 - H GLY 39 - HG2 GLN 16 lone 0 37 - 1 - H THR 33 - HG2 GLN 16 lone 0 33 - 1 - H SER 78 - HG2 GLN 16 lone 0 32 - 1 - Peak 4795 from cnoeabs.peaks (4.38, 2.28, 33.51 ppm; 3.38 A): 2 out of 21 assignments used, quality = 0.98: * HA GLN 105 + HG3 GLN 105 OK 88 100 - 88 - 4.1=56, 4767/1.8=15...(20) HA GLN 105 + HG2 GLN 105 OK 88 100 - 88 - 4.1=56, 4767/1.8=15...(20) HA ASP 100 - HG3 GLN 105 OK 25 63 - 40 - 7697=8, 7695/3.0=8...(10) HA ASP 100 - HG2 GLN 105 OK 25 63 - 40 - 7697=8, 7695/3.0=8...(10) HA LEU 93 - HG3 GLN 105 OK 21 100 - 21 - 7599/1.8=2, 7599=2...(8) HA LEU 93 - HG2 GLN 105 OK 21 100 - 21 - 7599/1.8=2, 7599=2...(8) HB THR 116 - HG2 GLN 105 OK 11 99 - 11 - 2.1/7991=3, ~7991=2...(4) HB THR 116 - HG3 GLN 105 OK 11 99 - 11 - 2.1/7991=3, ~7991=2...(4) HA GLN 105 - HG2 GLN 16 poor 8 39 - 20 - 4766=3, 4764/3.0=2...(9) HA MET 11 - HG3 GLN 105 lone 7 95 - 7 - 4771/3.0=1, 4779/3.0=1 HA MET 11 - HG2 GLN 105 lone 7 94 - 7 - 4771/3.0=1, 4779/3.0=1 HA CYS 76 - HG3 GLN 105 lone 5 78 - 7 - 4771/3.0=1, 6099/5.0=1 HA CYS 76 - HG2 GLN 105 lone 5 78 - 7 - 4771/3.0=1, 6099/5.0=1 HA SER 35 - HG2 GLN 105 lone 3 100 - 3 - HA SER 35 - HG3 GLN 105 lone 3 100 - 3 - HB THR 116 - HG2 GLN 16 lone 1 37 - 3 - HA MET 11 - HG2 GLN 16 lone 1 33 - 2 - HA ASP 100 - HG2 GLN 16 lone 0 19 - 3 - HA LEU 93 - HG2 GLN 16 lone 0 38 - 1 - HA CYS 76 - HG2 GLN 16 lone 0 25 - 1 - HA SER 35 - HG2 GLN 16 lone 0 38 - 1 - Peak 4796 from cnoeabs.peaks (2.08, 2.28, 33.51 ppm; 2.80 A): 2 out of 45 assignments used, quality = 0.99: * HB2 GLN 105 + HG3 GLN 105 OK 89 100 - 89 - 3.0=81, 4775/1.8=13...(12) HB2 GLN 105 + HG2 GLN 105 OK 89 100 - 89 - 3.0=81, 4775/1.8=13...(12) HB2 GLN 16 - HG2 GLN 16 OK 33 39 - 85 - 3.0=81, 3.0/1938=7...(6) HB3 GLN 16 - HG2 GLN 16 OK 33 38 - 85 - 3.0=81, 3.0/1938=7...(6) HB2 GLN 16 - HG2 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 1946/1.8=2...(12) HB3 GLN 16 - HG2 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 1954/1.8=2...(12) HB2 GLN 16 - HG3 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 1946/1.8=2...(11) HB3 GLN 16 - HG3 GLN 105 OK 22 100 - 22 - 3.0/1970=2, 1954/1.8=2...(11) HG3 GLU 69 - HG3 GLN 105 OK 11 93 - 12 - 3.0/4783=1, 3785/3.0=1...(4) HG3 GLU 69 - HG2 GLN 105 OK 11 93 - 12 - 3.0/4783=1, 3785/3.0=1...(4) HB2 ARG 57 - HG2 GLN 105 lone 9 100 - 9 - HB2 ARG 57 - HG3 GLN 105 lone 9 100 - 9 - 1.8/4797=1 HB2 GLN 105 - HG2 GLN 16 poor 6 39 - 17 - 4774=3, 1969/1.8=2...(7) HB2 GLU 15 - HG2 GLN 16 poor 6 35 - 17 - 5445/4.9=4, 1969/1.8=3...(4) HB ILE 63 - HG2 GLN 105 lone 4 94 - 5 - HB ILE 63 - HG3 GLN 105 lone 4 95 - 5 - HB3 PRO 70 - HG3 GLN 105 lone 4 65 - 6 - HB3 PRO 70 - HG2 GLN 105 lone 4 65 - 6 - HB2 ARG 57 - HG2 GLN 16 lone 3 38 - 8 - ~7046=3, 1969/1.8=1 HB2 GLU 15 - HG2 GLN 105 lone 3 97 - 3 - HB2 GLU 15 - HG3 GLN 105 lone 3 97 - 3 - HB3 GLU 38 - HG2 GLN 105 lone 2 89 - 3 - HB3 GLU 38 - HG3 GLN 105 lone 2 89 - 3 - HB2 LEU 114 - HG2 GLN 16 lone 2 38 - 6 - ~6326=1 HB2 LEU 114 - HG2 GLN 105 lone 2 100 - 2 - HB2 LEU 114 - HG3 GLN 105 lone 2 100 - 2 - HG LEU 21 - HG2 GLN 105 lone 2 99 - 2 - HG LEU 21 - HG3 GLN 105 lone 2 99 - 2 - HB ILE 63 - HG2 GLN 16 lone 2 33 - 5 - 4.0/7134=1 HB2 LEU 101 - HG2 GLN 105 lone 1 76 - 1 - HB2 LEU 101 - HG3 GLN 105 lone 1 76 - 1 - HG LEU 21 - HG2 GLN 16 lone 1 38 - 3 - HB3 ARG 81 - HG2 GLN 105 lone 1 71 - 1 - HB3 ARG 81 - HG3 GLN 105 lone 1 71 - 1 - HG2 GLU 64 - HG2 GLN 105 lone 1 100 - 1 - HG2 GLU 64 - HG3 GLN 105 lone 1 100 - 1 - HG3 PRO 37 - HG2 GLN 16 lone 1 20 - 4 - HG3 PRO 37 - HG2 GLN 105 lone 1 65 - 1 - HG3 PRO 37 - HG3 GLN 105 lone 1 65 - 1 - HB2 LEU 101 - HG2 GLN 16 lone 1 24 - 2 - HG3 GLU 69 - HG2 GLN 16 lone 1 33 - 2 - HG2 GLU 64 - HG2 GLN 16 lone 0 38 - 1 - HB3 GLU 38 - HG2 GLN 16 lone 0 30 - 1 - HB3 PRO 70 - HG2 GLN 16 lone 0 20 - 2 - HB3 ARG 81 - HG2 GLN 16 lone 0 22 - 1 - Peak 4797 from cnoeabs.peaks (1.82, 2.28, 33.51 ppm; 3.16 A): 2 out of 39 assignments used, quality = 1.00: * HB3 GLN 105 + HG3 GLN 105 OK 100 100 - 100 - 3.0=100 HB3 GLN 105 + HG2 GLN 105 OK 100 100 - 100 - 3.0=100 HB2 GLU 69 - HG3 GLN 105 OK 21 92 - 23 - 4783=3, 4773/3.0=3...(10) HB2 GLU 69 - HG2 GLN 105 OK 21 92 - 23 - 4783=3, 4773/3.0=3...(10) HB3 ARG 57 - HG3 GLN 105 OK 12 99 - 12 - 4773/3.0=2, 4765/4.1=1 HB3 ARG 57 - HG2 GLN 105 OK 12 99 - 12 - 4773/3.0=2, 4765/4.1=1 HB3 GLN 105 - HG2 GLN 16 poor 9 39 - 23 - 4782=3, 1.8/4774=2...(8) HG13 ILE 63 - HG2 GLN 105 lone 7 100 - 7 - HG13 ILE 63 - HG3 GLN 105 lone 7 100 - 7 - HG2 GLU 75 - HG3 GLN 105 lone 5 100 - 5 - HG2 GLU 75 - HG2 GLN 105 lone 5 100 - 5 - HB3 ARG 57 - HG2 GLN 16 poor 5 38 - 12 - ~7046=5 HG3 ARG 53 - HG3 GLN 105 lone 3 98 - 3 - HG3 ARG 53 - HG2 GLN 105 lone 3 98 - 3 - HB3 ARG 92 - HG3 GLN 105 lone 3 96 - 3 - 4.2/7596=1 HB3 ARG 92 - HG2 GLN 105 lone 3 96 - 3 - 4.2/7596=1 HG LEU 41 - HG3 GLN 105 lone 3 93 - 3 - HG LEU 41 - HG2 GLN 105 lone 3 93 - 3 - HB2 PRO 60 - HG3 GLN 105 lone 2 92 - 2 - HB2 PRO 60 - HG2 GLN 105 lone 2 92 - 2 - HG13 ILE 63 - HG2 GLN 16 lone 2 39 - 6 - 3526/4.9=1, 5.2/7134=1 HG2 GLU 73 - HG3 GLN 105 lone 2 83 - 2 - HG2 GLU 73 - HG2 GLN 105 lone 2 83 - 2 - HG3 GLU 73 - HG3 GLN 105 lone 1 81 - 2 - HG3 GLU 73 - HG2 GLN 105 lone 1 81 - 2 - HB2 PRO 60 - HG2 GLN 16 lone 1 32 - 3 - HG12 ILE 22 - HG3 GLN 105 lone 1 60 - 1 - HG12 ILE 22 - HG2 GLN 105 lone 1 60 - 1 - HB3 GLU 56 - HG3 GLN 105 lone 1 68 - 1 - HB3 GLU 56 - HG2 GLN 105 lone 1 68 - 1 - HB2 GLU 69 - HG2 GLN 16 lone 1 32 - 2 - HB3 GLU 56 - HG2 GLN 16 lone 1 21 - 3 - HG3 ARG 53 - HG2 GLN 16 lone 0 36 - 1 - HG2 GLU 75 - HG2 GLN 16 lone 0 38 - 1 - HG LEU 41 - HG2 GLN 16 lone 0 33 - 1 - HB3 ARG 92 - HG2 GLN 16 lone 0 34 - 0 - HG12 ILE 22 - HG2 GLN 16 lone 0 18 - 1 - HG2 GLU 73 - HG2 GLN 16 lone 0 27 - 0 - HG3 GLU 73 - HG2 GLN 16 lone 0 26 - 0 - Peak 4798 from cnoeabs.peaks (2.28, 2.28, 33.51 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG3 GLN 105 + HG3 GLN 105 OK 100 100 - 100 HG2 GLN 105 + HG2 GLN 105 OK 100 100 - 100 HG2 GLN 16 - HG2 GLN 16 OK 25 25 - 100 Reference assignment not found: HG2 GLN 105 - HG3 GLN 105 Peak 4799 from cnoeabs.peaks (2.28, 2.28, 33.51 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 105 + HG3 GLN 105 OK 100 100 - 100 HG2 GLN 105 + HG2 GLN 105 OK 100 100 - 100 HG2 GLN 16 - HG2 GLN 16 OK 24 24 - 100 Peak 4800 from cnoeabs.peaks (7.43, 2.28, 33.51 ppm; 3.65 A): 2 out of 12 assignments used, quality = 1.00: * HE21 GLN 105 + HG3 GLN 105 OK 100 100 - 100 - 3.5=100 HE21 GLN 105 + HG2 GLN 105 OK 100 100 - 100 - 3.5=100 HD21 ASN 79 - HG3 GLN 105 OK 19 81 - 23 - 1.7/4794=3, 4784/3.0=3...(11) HD21 ASN 79 - HG2 GLN 105 OK 19 81 - 23 - 1.7/4794=3, 4784/3.0=3...(11) H SER 72 - HG3 GLN 105 lone 7 99 - 6 - 772=1, 781/3.5=1, 772/1.8=1 H SER 72 - HG2 GLN 105 lone 7 99 - 6 - 772=1, 781/3.5=1, 772/1.8=1 HE21 GLN 105 - HG2 GLN 16 lone 3 39 - 8 - 4.5/4774=1, 771=1...(5) H LYS 32 - HG3 GLN 105 lone 3 92 - 3 - H LYS 32 - HG2 GLN 105 lone 3 92 - 3 - HD21 ASN 79 - HG2 GLN 16 lone 0 26 - 2 - H SER 72 - HG2 GLN 16 lone 0 37 - 1 - H LYS 32 - HG2 GLN 16 lone 0 32 - 1 - Peak 4801 from cnoeabs.peaks (6.85, 2.28, 33.51 ppm; 4.43 A): 2 out of 6 assignments used, quality = 1.00: * HE22 GLN 105 + HG3 GLN 105 OK 100 100 - 100 - 3.5=100 HE22 GLN 105 + HG2 GLN 105 OK 100 100 - 100 - 3.5=100 HE22 GLN 105 - HG2 GLN 16 lone 4 39 - 9 - 4.5/4774=2, 4.5/4782=2...(6) QE TYR 102 - HG3 GLN 105 lone 2 81 - 2 - QE TYR 102 - HG2 GLN 105 lone 2 81 - 2 - QE TYR 102 - HG2 GLN 16 lone 0 26 - 1 - Peak 4802 from cnoeabs.peaks (8.63, 4.65, 53.03 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 106 + HA ASN 106 OK 100 100 - 100 - 2.9=100 H VAL 120 - HA ASN 106 lone 5 89 - 6 - 4808/3.0=2, 531/3.6=2 H LEU 117 - HA ASN 106 lone 3 65 - 4 - 531/3.6=1 H SER 29 - HA ASN 106 lone 1 73 - 2 - Peak 4803 from cnoeabs.peaks (4.65, 4.65, 53.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 106 + HA ASN 106 OK 100 100 - 100 Peak 4804 from cnoeabs.peaks (2.90, 4.65, 53.03 ppm; 3.86 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ASN 106 + HA ASN 106 OK 100 100 - 100 - 3.0=100 HB2 ASP 100 + HA ASN 106 OK 49 99 - 50 - 1305/2.9=8, ~7690=8...(16) HB2 PHE 40 - HA ASN 106 OK 11 99 - 11 - 1305/2.9=2, 4816/3.0=1 HB3 ASN 12 - HA ASN 106 poor 10 87 - 11 - 1305/2.9=2, 691/4.3=1...(5) HE2 LYS 32 - HA ASN 106 lone 3 83 - 4 - HE3 LYS 32 - HA ASN 106 lone 3 81 - 4 - HB3 PHE 96 - HA ASN 106 lone 2 63 - 4 - Peak 4805 from cnoeabs.peaks (2.72, 4.65, 53.03 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 106 + HA ASN 106 OK 100 100 - 100 - 3.0=100 HB3 ASN 108 + HA ASN 106 OK 62 100 - 62 - 4.0/7830=20, 4815=14...(15) HB3 ASN 99 - HA ASN 106 OK 34 100 - 34 - 1306/2.9=5, 4811/3.0=5...(14) HE3 LYS 65 - HA ASN 106 lone 4 81 - 5 - Peak 4806 from cnoeabs.peaks (7.81, 4.65, 53.03 ppm; 4.25 A): 1 out of 6 assignments used, quality = 0.96: * HD21 ASN 106 + HA ASN 106 OK 96 100 - 96 - 4.3=95, 686/3.0=25 HD21 ASN 99 - HA ASN 106 OK 22 89 - 25 - 674/3.0=6, 4812/3.0=5...(8) H ILE 124 - HA ASN 106 lone 6 63 - 9 - 634=1, 4812/3.0=1...(4) H GLY 25 - HA ASN 106 lone 3 99 - 3 - H LEU 45 - HA ASN 106 lone 2 73 - 2 - H ASN 79 - HA ASN 106 lone 1 63 - 2 - Peak 4808 from cnoeabs.peaks (8.63, 2.90, 37.18 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 106 + HB2 ASN 106 OK 100 100 - 100 - 3.9=100 H VAL 120 - HB2 ASN 106 OK 10 89 - 11 - 531/4.5=2, 4814/1.8=2...(4) H LEU 117 - HB2 ASN 106 lone 6 65 - 8 - 531/4.5=2, 4814/1.8=1 H SER 29 - HB2 ASN 106 lone 3 73 - 5 - 4.2/7787=1 Peak 4809 from cnoeabs.peaks (4.65, 2.90, 37.18 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 106 + HB2 ASN 106 OK 100 100 - 100 - 3.0=100 HA HIS 10 - HB2 ASN 106 lone 5 83 - 6 - 4815/1.8=1 HA ASP 123 - HB2 ASN 106 lone 5 89 - 6 - 4815/1.8=1, 684/3.5=1 HA LEU 59 - HB2 ASN 106 lone 5 73 - 7 - ~3404=1, 4815/1.8=1, ~1053=1 Peak 4810 from cnoeabs.peaks (2.90, 2.90, 37.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 106 + HB2 ASN 106 OK 100 100 - 100 Peak 4811 from cnoeabs.peaks (2.72, 2.90, 37.18 ppm; 2.78 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 106 + HB2 ASN 106 OK 100 100 - 100 - 1.8=100 HB3 ASN 108 - HB2 ASN 106 OK 37 100 - 38 - 4816=9, 4.6/7808=5...(15) HB3 ASN 99 - HB2 ASN 106 OK 18 100 - 18 - 4805/3.0=2, 3.5/4812=2...(11) HE3 LYS 65 - HB2 ASN 106 lone 4 81 - 4 - Peak 4812 from cnoeabs.peaks (7.81, 2.90, 37.18 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 106 + HB2 ASN 106 OK 100 100 - 100 - 3.5=100 HD21 ASN 99 - HB2 ASN 106 OK 20 89 - 22 - 674/1.8=6, 4806/3.0=4...(7) H ILE 124 - HB2 ASN 106 lone 4 63 - 7 - 3.6/4809=1, 4806/3.0=1 H GLY 25 - HB2 ASN 106 lone 3 99 - 3 - H LEU 45 - HB2 ASN 106 lone 2 73 - 3 - H ASN 79 - HB2 ASN 106 lone 2 63 - 3 - Peak 4813 from cnoeabs.peaks (6.94, 2.90, 37.18 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 106 + HB2 ASN 106 OK 100 100 - 100 - 3.5=100 HD22 ASN 12 - HB2 ASN 106 OK 13 87 - 15 - 656=3, 4819/1.8=3...(6) Peak 4814 from cnoeabs.peaks (8.63, 2.72, 37.18 ppm; 4.36 A): 1 out of 8 assignments used, quality = 1.00: * H ASN 106 + HB3 ASN 106 OK 100 100 - 100 - 3.9=100 H ASN 106 - HB3 ASN 108 OK 39 92 - 42 - 1306=11, 2.9/4815=11...(9) H VAL 120 - HB3 ASN 106 lone 8 89 - 9 - 4808/1.8=3, 531/4.5=2 H VAL 120 - HB3 ASN 108 lone 7 77 - 8 - 1797/3.5=3, ~6275=2 H LEU 117 - HB3 ASN 106 lone 5 65 - 7 - 4808/1.8=2, 531/4.5=2 H SER 29 - HB3 ASN 106 lone 3 73 - 4 - 4808/1.8=1 H LEU 117 - HB3 ASN 108 lone 1 55 - 3 - H SER 29 - HB3 ASN 108 lone 1 62 - 2 - Peak 4815 from cnoeabs.peaks (4.65, 2.72, 37.18 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * HA ASN 106 + HB3 ASN 106 OK 100 100 - 100 - 3.0=100 HA ASN 106 + HB3 ASN 108 OK 48 92 - 52 - 7830/4.0=16, 4805=11...(15) HA HIS 10 - HB3 ASN 106 lone 5 83 - 6 - 4809/1.8=2 HA ASP 123 - HB3 ASN 106 lone 5 89 - 6 - 4809/1.8=2 HA LEU 59 - HB3 ASN 106 lone 5 73 - 7 - 4809/1.8=2, ~3404=1 HA ASP 123 - HB3 ASN 108 lone 3 77 - 4 - HA LEU 59 - HB3 ASN 108 lone 1 62 - 2 - HA HIS 10 - HB3 ASN 108 lone 1 71 - 2 - Peak 4816 from cnoeabs.peaks (2.90, 2.72, 37.18 ppm; 2.72 A): 1 out of 14 assignments used, quality = 1.00: * HB2 ASN 106 + HB3 ASN 106 OK 100 100 - 100 - 1.8=100 HB2 ASN 106 - HB3 ASN 108 OK 35 92 - 38 - 4811=11, 7808/4.6=5...(14) HB2 ASP 100 - HB3 ASN 106 OK 26 99 - 26 - 3.0/7693=4, 4804/3.0=4...(12) HB2 ASP 100 - HB3 ASN 108 OK 16 89 - 18 - 1.8/8149=4, 3.0/7693=3...(8) HB2 PHE 40 - HB3 ASN 106 lone 7 99 - 7 - HB3 ASN 12 - HB3 ASN 106 lone 6 87 - 7 - HB2 PHE 40 - HB3 ASN 108 lone 3 90 - 3 - HB3 ASN 12 - HB3 ASN 108 lone 2 75 - 3 - HB3 PHE 96 - HB3 ASN 106 lone 2 63 - 3 - HE2 LYS 32 - HB3 ASN 106 lone 2 83 - 2 - HE3 LYS 32 - HB3 ASN 106 lone 2 81 - 2 - HB3 PHE 96 - HB3 ASN 108 lone 1 53 - 3 - 7838/4.6=1 HE2 LYS 32 - HB3 ASN 108 lone 1 71 - 1 - HE3 LYS 32 - HB3 ASN 108 lone 1 69 - 1 - Peak 4817 from cnoeabs.peaks (2.72, 2.72, 37.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 106 + HB3 ASN 106 OK 100 100 - 100 HB3 ASN 108 + HB3 ASN 108 OK 92 92 - 100 Peak 4818 from cnoeabs.peaks (7.81, 2.72, 37.18 ppm; 3.58 A): 1 out of 12 assignments used, quality = 1.00: * HD21 ASN 106 + HB3 ASN 106 OK 100 100 - 100 - 3.5=100 HD21 ASN 106 - HB3 ASN 108 OK 27 92 - 30 - 686=9, 3.5/4811=7...(5) HD21 ASN 99 - HB3 ASN 106 OK 25 89 - 28 - 674=7, 4812/1.8=5...(10) HD21 ASN 99 - HB3 ASN 108 OK 20 77 - 26 - 674=6, 1.7/680=5...(9) H ILE 124 - HB3 ASN 108 lone 3 53 - 6 - 3.0/8122=1 H ILE 124 - HB3 ASN 106 lone 3 63 - 5 - 4812/1.8=1 H GLY 25 - HB3 ASN 106 lone 3 99 - 3 - H ASN 79 - HB3 ASN 106 lone 2 63 - 3 - H ASN 79 - HB3 ASN 108 lone 2 53 - 3 - H LEU 45 - HB3 ASN 106 lone 2 73 - 2 - H GLY 25 - HB3 ASN 108 lone 2 90 - 2 - H LEU 45 - HB3 ASN 108 lone 1 62 - 1 - Peak 4819 from cnoeabs.peaks (6.94, 2.72, 37.18 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 106 + HB3 ASN 106 OK 100 100 - 100 - 3.5=100 HD22 ASN 106 - HB3 ASN 108 OK 31 92 - 34 - 692=9, 3.5/4811=8...(6) HD22 ASN 12 - HB3 ASN 106 poor 10 87 - 11 - 4813/1.8=4, ~650=2...(4) HD22 ASN 12 - HB3 ASN 108 lone 4 75 - 5 - Peak 4820 from cnoeabs.peaks (8.95, 4.01, 61.43 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 107 + HA PHE 107 OK 100 100 - 100 - 3.0=100 H LEU 54 - HA PHE 107 OK 25 96 - 26 - 4827/3.0=7, 4765/3.7=6...(5) Peak 4821 from cnoeabs.peaks (4.01, 4.01, 61.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 107 + HA PHE 107 OK 100 100 - 100 Peak 4822 from cnoeabs.peaks (3.11, 4.01, 61.43 ppm; 3.83 A): 1 out of 8 assignments used, quality = 1.00: * HB2 PHE 107 + HA PHE 107 OK 100 100 - 100 - 3.0=100 HD3 ARG 81 - HA PHE 107 OK 39 85 - 46 - 2.9/4826=6, 1.8/4145=5...(20) HB3 ASP 100 - HA PHE 107 OK 29 100 - 29 - 8150/7811=7, 4.3/4825=5...(10) HB3 CYS 52 - HA PHE 107 OK 22 100 - 22 - 6955/3.0=4, 1311/3.0=3...(9) HB3 CYS 76 - HA PHE 107 OK 21 100 - 21 - 3988/3.0=3, ~3985=3...(11) HD3 ARG 53 - HA PHE 107 OK 21 90 - 23 - 1311/3.0=4, ~5618=4...(13) HD3 ARG 57 - HA PHE 107 OK 11 95 - 12 - 4616/3.7=2, 1311/3.0=1...(4) HB3 HIS 10 - HA PHE 107 lone 1 68 - 2 - Peak 4823 from cnoeabs.peaks (2.84, 4.01, 61.43 ppm; 3.91 A): 3 out of 10 assignments used, quality = 1.00: * HB3 PHE 107 + HA PHE 107 OK 100 100 - 100 - 3.0=100 HB3 TYR 67 + HA PHE 107 OK 45 100 - 45 - 2.6/4826=8, 4.5/6193=6...(16) HB2 TYR 67 + HA PHE 107 OK 45 100 - 45 - 2.6/4826=8, 4.5/6193=6...(16) HB2 ASN 99 - HA PHE 107 OK 38 100 - 38 - 4835=6, 4834/3.0=5...(16) HG CYS 52 - HA PHE 107 OK 15 99 - 16 - 3.4/4822=2, 4830/3.0=2...(9) HB2 CYS 76 - HA PHE 107 OK 15 71 - 21 - 1.8/4822=3, 3985/3.0=3...(11) HB2 ASN 79 - HA PHE 107 lone 9 100 - 9 - 4617/3.7=1, 4830/3.0=1 HB2 ASP 36 - HA PHE 107 lone 3 100 - 3 - HE3 LYS 119 - HA PHE 107 lone 3 87 - 3 - HE2 LYS 119 - HA PHE 107 lone 3 85 - 3 - Peak 4825 from cnoeabs.peaks (6.99, 4.01, 61.43 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.93: * QE PHE 107 + HA PHE 107 OK 82 100 - 82 - 5.6=46, 2.2/4826=24...(15) H LEU 101 + HA PHE 107 OK 43 90 - 48 - 7698/7811=13, 4860/3.7=8...(11) HD22 ASN 108 + HA PHE 107 OK 34 95 - 36 - 1321/3.6=10, 4860/3.7=5...(10) HD22 ASN 12 - HA PHE 107 lone 5 60 - 9 - 7859/7811=2, 1321/3.6=1 Peak 4826 from cnoeabs.peaks (7.19, 4.01, 61.43 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.97: * QD PHE 107 + HA PHE 107 OK 94 100 - 94 - 3.7=85, 4765/3.0=16...(15) QD TYR 67 + HA PHE 107 OK 42 97 - 43 - 2.2/6193=8, 4833/3.0=6...(15) HE ARG 81 - HA PHE 107 OK 33 99 - 34 - 4833/3.0=6, 4840/3.0=4...(14) H LYS 65 - HA PHE 107 lone 6 71 - 8 - 4854/5.6=1 Peak 4827 from cnoeabs.peaks (8.95, 3.11, 38.54 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.94: * H PHE 107 + HB2 PHE 107 OK 92 100 - 92 - 4.0=79, 4834/1.8=25...(9) H LEU 54 + HB2 PHE 107 OK 29 96 - 30 - 4765/2.4=7, 4834/1.8=6...(8) Peak 4828 from cnoeabs.peaks (4.01, 3.11, 38.54 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 107 + HB2 PHE 107 OK 100 100 - 100 - 3.0=100 HA ARG 81 - HB2 PHE 107 OK 35 93 - 38 - 4615/2.4=6, 4835/1.8=5...(18) HA ALA 14 - HB2 PHE 107 OK 34 92 - 37 - 4615/2.4=7, 4835/1.8=5...(11) HA LEU 117 - HB2 PHE 107 OK 15 85 - 18 - 4615/2.4=4, 4771/4.4=3...(8) HA THR 62 - HB2 PHE 107 lone 7 96 - 7 - 4615/2.4=2, 4835/1.8=1 HA GLN 16 - HB2 PHE 107 lone 2 68 - 3 - Peak 4829 from cnoeabs.peaks (3.11, 3.11, 38.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 107 + HB2 PHE 107 OK 100 100 - 100 Peak 4830 from cnoeabs.peaks (2.84, 3.11, 38.54 ppm; 3.23 A): 1 out of 10 assignments used, quality = 1.00: * HB3 PHE 107 + HB2 PHE 107 OK 100 100 - 100 - 1.8=100 HB3 TYR 67 - HB2 PHE 107 OK 38 100 - 38 - 2.6/4833=6, 4617/2.4=5...(18) HB2 TYR 67 - HB2 PHE 107 OK 38 100 - 38 - 2.6/4833=6, 4617/2.4=5...(18) HB2 ASN 99 - HB2 PHE 107 OK 32 100 - 32 - 4836=5, 4617/2.4=4...(17) HG CYS 52 - HB2 PHE 107 OK 16 99 - 16 - 3.4/3116=3, 4.6/3112=2...(7) HB2 CYS 76 - HB2 PHE 107 OK 14 71 - 20 - 3985=3, 3.0/3981=2...(12) HB2 ASN 79 - HB2 PHE 107 lone 8 100 - 8 - 4617/2.4=1 HB2 ASP 36 - HB2 PHE 107 lone 2 100 - 2 - HE3 LYS 119 - HB2 PHE 107 lone 2 87 - 2 - HE2 LYS 119 - HB2 PHE 107 lone 2 85 - 2 - Peak 4832 from cnoeabs.peaks (6.99, 3.11, 38.54 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * QE PHE 107 + HB2 PHE 107 OK 100 100 - 100 - 4.4=100 H LEU 101 + HB2 PHE 107 OK 53 90 - 59 - 4860/2.4=12, 498=11...(14) HD22 ASN 108 - HB2 PHE 107 OK 33 95 - 35 - 1321/4.6=9, 4825/3.0=7...(8) HD22 ASN 12 - HB2 PHE 107 lone 4 60 - 7 - 4860/2.4=1, 4825/3.0=1 Peak 4833 from cnoeabs.peaks (7.19, 3.11, 38.54 ppm; 3.71 A): 3 out of 4 assignments used, quality = 1.00: * QD PHE 107 + HB2 PHE 107 OK 100 100 - 100 - 2.4=100 QD TYR 67 + HB2 PHE 107 OK 51 97 - 52 - 4840/1.8=7, 4826/3.0=7...(19) HE ARG 81 + HB2 PHE 107 OK 46 99 - 47 - 4840/1.8=6, 4826/3.0=6...(22) H LYS 65 - HB2 PHE 107 lone 6 71 - 8 - 4854/4.4=2 Peak 4834 from cnoeabs.peaks (8.95, 2.84, 38.54 ppm; 3.76 A): 1 out of 4 assignments used, quality = 0.92: * H PHE 107 + HB3 PHE 107 OK 92 100 - 92 - 4.0=80, 4827/1.8=28...(7) H LEU 54 - HB3 PHE 107 OK 23 96 - 24 - 4827/1.8=9, 4765/2.4=7...(4) H PHE 107 - HB2 ASN 99 OK 20 81 - 25 - 1312=7, 534/1.8=4...(9) H LEU 54 - HB2 ASN 99 lone 2 73 - 3 - Peak 4835 from cnoeabs.peaks (4.01, 2.84, 38.54 ppm; 4.03 A): 1 out of 12 assignments used, quality = 1.00: * HA PHE 107 + HB3 PHE 107 OK 100 100 - 100 - 3.0=100 HA ALA 14 - HB3 PHE 107 OK 37 92 - 40 - 4615/2.4=8, 4828/1.8=7...(11) HA ARG 81 - HB3 PHE 107 OK 34 93 - 37 - 4828/1.8=7, 4615/2.4=7...(15) HA PHE 107 - HB2 ASN 99 OK 32 81 - 40 - 4823=7, 3.0/4834=5...(16) HA LEU 117 - HB3 PHE 107 OK 16 85 - 19 - 4615/2.4=4, 4828/1.8=3...(10) HA THR 62 - HB3 PHE 107 lone 8 96 - 8 - 4615/2.4=2, 4828/1.8=2 HA ALA 14 - HB2 ASN 99 lone 5 69 - 7 - 3.6/4620=2, 5442/4.1=1 HA ARG 81 - HB2 ASN 99 lone 4 71 - 6 - ~1670=2 HA GLN 16 - HB3 PHE 107 lone 3 68 - 4 - HA LEU 117 - HB2 ASN 99 lone 1 62 - 2 - HA GLN 16 - HB2 ASN 99 lone 1 48 - 2 - HA THR 62 - HB2 ASN 99 lone 1 73 - 1 - Peak 4836 from cnoeabs.peaks (3.11, 2.84, 38.54 ppm; 3.23 A): 1 out of 16 assignments used, quality = 1.00: * HB2 PHE 107 + HB3 PHE 107 OK 100 100 - 100 - 1.8=100 HD3 ARG 81 - HB3 PHE 107 OK 31 85 - 37 - 4616/2.4=5, 2.9/4840=4...(17) HB2 PHE 107 - HB2 ASN 99 OK 27 81 - 34 - 4830=6, 2.4/4617=4...(17) HB3 CYS 52 - HB3 PHE 107 OK 24 100 - 24 - 6955=3, ~3116=3...(9) HB3 CYS 76 - HB3 PHE 107 OK 21 100 - 21 - ~3985=3, 4616/2.4=2...(10) HB3 CYS 76 - HB2 ASN 99 OK 20 80 - 25 - 7332/3.0=6, ~7331=4...(9) HB3 ASP 100 - HB3 PHE 107 OK 18 100 - 18 - 4616/2.4=3, 4822/3.0=2...(9) HD3 ARG 53 - HB3 PHE 107 OK 14 90 - 16 - 1311/4.0=2, 4616/2.4=2...(9) HB3 ASP 100 - HB2 ASN 99 OK 12 80 - 15 - 3.8/491=6, 7676/4.1=3...(4) HD3 ARG 57 - HB3 PHE 107 OK 10 95 - 11 - 4616/2.4=2 HB3 CYS 52 - HB2 ASN 99 lone 4 80 - 5 - HD3 ARG 57 - HB2 ASN 99 lone 2 72 - 3 - HD3 ARG 81 - HB2 ASN 99 lone 2 62 - 3 - HD3 ARG 53 - HB2 ASN 99 lone 1 67 - 2 - HB3 HIS 10 - HB3 PHE 107 lone 1 68 - 2 - HB3 HIS 10 - HB2 ASN 99 lone 1 48 - 2 - 4.4/491=1 Peak 4837 from cnoeabs.peaks (2.84, 2.84, 38.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 107 + HB3 PHE 107 OK 100 100 - 100 HB2 ASN 99 + HB2 ASN 99 OK 80 80 - 100 Peak 4839 from cnoeabs.peaks (6.99, 2.84, 38.54 ppm; 4.28 A): 1 out of 8 assignments used, quality = 0.97: * QE PHE 107 + HB3 PHE 107 OK 97 100 - 97 - 4.4=91, ~4624=15...(9) H LEU 101 - HB3 PHE 107 OK 40 90 - 45 - 4860/2.4=11, 4832/1.8=9...(10) QE PHE 107 - HB2 ASN 99 OK 35 81 - 43 - 4786=7, 6178/3.0=6...(14) HD22 ASN 108 - HB3 PHE 107 OK 29 95 - 30 - 1321/4.6=8, 4860/2.4=6...(7) HD22 ASN 108 - HB2 ASN 99 OK 27 72 - 37 - 704/1.8=8, 6178/3.0=6...(12) H LEU 101 - HB2 ASN 99 OK 26 67 - 39 - 495/4.6=15, 1728/4.1=15...(4) HD22 ASN 12 - HB2 ASN 99 poor 5 42 - 11 - 6178/3.0=3, 1723/4.1=3...(4) HD22 ASN 12 - HB3 PHE 107 lone 3 60 - 6 - 4860/2.4=1 Peak 4840 from cnoeabs.peaks (7.19, 2.84, 38.54 ppm; 3.67 A): 2 out of 8 assignments used, quality = 1.00: * QD PHE 107 + HB3 PHE 107 OK 100 100 - 100 - 2.4=100 QD TYR 67 + HB3 PHE 107 OK 49 97 - 51 - 4833/1.8=9, 4826/3.0=7...(19) HE ARG 81 - HB3 PHE 107 OK 42 99 - 42 - 4833/1.8=8, 4826/3.0=6...(17) QD PHE 107 - HB2 ASN 99 OK 33 81 - 41 - 4617=6, 2.4/4830=5...(19) QD TYR 67 - HB2 ASN 99 OK 17 74 - 23 - ~4695=4, 4578=2...(9) H LYS 65 - HB3 PHE 107 lone 6 71 - 8 - 4854/4.4=2, 4833/1.8=1 HE ARG 81 - HB2 ASN 99 lone 2 78 - 3 - H LYS 65 - HB2 ASN 99 lone 1 50 - 2 - Peak 4845 from cnoeabs.peaks (6.75, 6.75, 127.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 107 + HZ PHE 107 OK 100 100 - 100 Peak 4846 from cnoeabs.peaks (6.99, 6.75, 127.53 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 107 + HZ PHE 107 OK 100 100 - 100 - 2.2=100 H LEU 101 - HZ PHE 107 OK 31 89 - 35 - 4860/3.8=6, 4.7/7722=5...(11) HD22 ASN 108 - HZ PHE 107 OK 19 93 - 21 - 4860/3.8=4, ~4873=2...(7) HD22 ASN 12 - HZ PHE 107 lone 3 59 - 5 - Peak 4852 from cnoeabs.peaks (6.75, 6.99, 129.94 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HZ PHE 107 + QE PHE 107 OK 100 100 - 100 - 2.2=100 HE21 GLN 42 + QE PHE 107 OK 51 96 - 53 - 3.5/6779=10, 3.5/6777=9...(13) H LEU 27 - QE PHE 107 OK 36 100 - 37 - 4620/2.2=5, 4.1/4797=4...(13) HD22 ASN 99 - QE PHE 107 OK 28 98 - 29 - 4620/2.2=5, 4.4/6178=4...(11) Peak 4853 from cnoeabs.peaks (6.99, 6.99, 129.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 107 + QE PHE 107 OK 100 100 - 100 Peak 4854 from cnoeabs.peaks (7.19, 6.99, 129.94 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 107 + QE PHE 107 OK 100 100 - 100 - 2.2=100 QD TYR 67 - QE PHE 107 OK 41 96 - 43 - 4624/2.2=5, 4833/4.4=4...(16) HE ARG 81 - QE PHE 107 OK 40 99 - 41 - 2.9/4784=6, 4624/2.2=6...(14) H LYS 65 - QE PHE 107 OK 18 70 - 25 - 4.6/7159=9, 4.9/4794=2...(4) Peak 4856 from cnoeabs.peaks (4.01, 7.19, 131.83 ppm; 4.84 A): 3 out of 6 assignments used, quality = 1.00: * HA PHE 107 + QD PHE 107 OK 100 100 - 100 - 3.7=100 HA ALA 14 + QD PHE 107 OK 56 91 - 62 - ~6316=15, 3.0/4764=11...(14) HA ARG 81 + QD PHE 107 OK 51 92 - 55 - 4771/2.2=8, 4828/2.4=8...(16) HA LEU 117 - QD PHE 107 OK 33 84 - 39 - 4771/2.2=6, 3.0/4800=4...(15) HA THR 62 - QD PHE 107 OK 14 95 - 15 - 4771/2.2=2, 4828/2.4=2...(6) HA GLN 16 - QD PHE 107 lone 6 67 - 9 - Peak 4857 from cnoeabs.peaks (3.11, 7.19, 131.83 ppm; 5.08 A): 3 out of 8 assignments used, quality = 1.00: * HB2 PHE 107 + QD PHE 107 OK 100 100 - 100 - 2.4=100 HD3 ARG 81 + QD PHE 107 OK 62 84 - 74 - 1.8/4813=13, 8564=13...(24) HB3 ASP 100 + QD PHE 107 OK 48 99 - 48 - 8150/4812=14...(11) HB3 CYS 52 - QD PHE 107 OK 41 99 - 42 - 6955/2.4=7, ~3116=5...(13) HB3 CYS 76 - QD PHE 107 OK 36 99 - 36 - ~3985=5, 3988/2.4=4...(13) HD3 ARG 53 - QD PHE 107 OK 31 89 - 35 - 1311/4.5=5, 1.8/4813=4...(12) HD3 ARG 57 - QD PHE 107 OK 27 93 - 29 - 4785/2.2=3, 3.5/4801=3...(16) HB3 HIS 10 - QD PHE 107 lone 2 67 - 4 - Peak 4858 from cnoeabs.peaks (2.84, 7.19, 131.83 ppm; 5.19 A): 4 out of 10 assignments used, quality = 1.00: * HB3 PHE 107 + QD PHE 107 OK 100 100 - 100 - 2.4=100 HB3 TYR 67 + QD PHE 107 OK 74 99 - 75 - ~4833=8, 4830/2.4=7...(25) HB2 TYR 67 + QD PHE 107 OK 74 99 - 75 - ~4833=8, 4830/2.4=7...(25) HB2 ASN 99 + QD PHE 107 OK 62 99 - 62 - 4786/2.2=7, 4840=7...(19) HG CYS 52 - QD PHE 107 OK 29 98 - 30 - 3.4/4616=4, ~6955=4...(12) HB2 ASN 79 - QD PHE 107 OK 25 100 - 25 - 3.5/8146=2, 3.9/7378=2...(10) HB2 CYS 76 - QD PHE 107 OK 25 69 - 36 - 3985/2.4=5, 1.8/4857=4...(13) HB2 ASP 36 - QD PHE 107 lone 7 99 - 7 - 6666/6623=2 HE3 LYS 119 - QD PHE 107 lone 4 86 - 5 - HE2 LYS 119 - QD PHE 107 lone 4 84 - 5 - Peak 4860 from cnoeabs.peaks (6.99, 7.19, 131.83 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * QE PHE 107 + QD PHE 107 OK 100 100 - 100 - 2.2=100 H LEU 101 + QD PHE 107 OK 56 89 - 62 - 3.0/4772=13, 4.7/8152=13...(16) HD22 ASN 108 - QD PHE 107 OK 33 93 - 35 - 1321/4.5=7, 4825/3.7=5...(11) HD22 ASN 12 - QD PHE 107 lone 6 59 - 10 - 7859/4812=1 Peak 4861 from cnoeabs.peaks (7.19, 7.19, 131.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 107 + QD PHE 107 OK 100 100 - 100 Peak 4862 from cnoeabs.peaks (8.84, 4.14, 56.45 ppm; 3.92 A): 1 out of 9 assignments used, quality = 1.00: * H ASN 108 + HA ASN 108 OK 100 100 - 100 - 3.0=100 H ASN 108 - HA ALA 98 OK 31 99 - 31 - 1317=8, 4.0/4869=5...(11) H ALA 14 - HA ASN 108 OK 25 100 - 25 - 544/3.6=5, 4868/3.0=4...(9) H VAL 50 - HA ASN 108 OK 12 99 - 12 - ~3047=3, 4.0/7669=2...(6) H ALA 14 - HA ALA 98 lone 8 98 - 8 - 1429/3.6=2, 4.6/5824=1 H VAL 50 - HA ALA 98 lone 6 97 - 6 - 4.0/7669=3, ~6162=1 H ALA 14 - HA ARG 57 lone 3 41 - 8 - 6300/3.0=1, 803/3.6=1 H ASN 108 - HA ARG 57 lone 3 42 - 6 - H VAL 50 - HA ARG 57 lone 1 40 - 1 - Peak 4863 from cnoeabs.peaks (4.14, 4.14, 56.45 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA ASN 108 + HA ASN 108 OK 100 100 - 100 HA ALA 98 + HA ALA 98 OK 97 97 - 100 HA ARG 57 - HA ARG 57 OK 20 20 - 100 Peak 4864 from cnoeabs.peaks (2.79, 4.14, 56.45 ppm; 3.39 A): 2 out of 9 assignments used, quality = 1.00: * HB2 ASN 108 + HA ASN 108 OK 100 100 - 100 - 3.0=100 HB2 ASP 97 + HA ALA 98 OK 54 98 - 55 - 484/3.0=14, 7650/3.6=13...(9) HB2 ASN 108 - HA ALA 98 OK 34 99 - 34 - 4869=9, 484/3.0=6...(12) HB2 ASP 97 - HA ASN 108 OK 18 100 - 18 - 1318/3.0=3, 4.6/1259=2...(10) HB2 CYS 76 - HA ASN 108 lone 5 71 - 7 - 1318/3.0=1 HB2 ASN 108 - HA ARG 57 lone 2 42 - 4 - HB2 ASP 97 - HA ARG 57 lone 2 42 - 4 - 7645/4.5=2 HB2 CYS 76 - HA ALA 98 lone 1 67 - 2 - HB2 CYS 76 - HA ARG 57 lone 1 24 - 3 - Peak 4865 from cnoeabs.peaks (2.73, 4.14, 56.45 ppm; 3.36 A): 1 out of 15 assignments used, quality = 1.00: * HB3 ASN 108 + HA ASN 108 OK 100 100 - 100 - 3.0=100 HB3 ASN 106 - HA ASN 108 OK 44 100 - 44 - 4875=8, 1319/3.0=8...(11) HB3 ASN 108 - HA ALA 98 OK 35 99 - 35 - 4875=7, 1.8/4869=7...(13) HB3 ASN 99 - HA ALA 98 OK 28 98 - 29 - 4626/3.6=17, 7679/2.1=6...(5) HB3 ASN 99 - HA ASN 108 OK 28 100 - 28 - 1319/3.0=4, 4871/3.0=3...(14) HB3 ASN 106 - HA ALA 98 lone 6 98 - 7 - 1264/3.6=2, 4875=1 HE3 LYS 65 - HA ASN 108 lone 3 71 - 4 - HE3 LYS 65 - HA ALA 98 lone 2 67 - 3 - HB3 ASN 108 - HA ARG 57 lone 2 42 - 4 - HB2 ASP 123 - HA ASN 108 lone 2 60 - 3 - HB2 ASP 123 - HA ALA 98 lone 1 57 - 2 - HB3 ASN 99 - HA ARG 57 lone 1 42 - 2 - HB3 ASN 106 - HA ARG 57 lone 1 42 - 1 - HE3 LYS 65 - HA ARG 57 lone 0 24 - 1 - HB2 ASP 123 - HA ARG 57 lone 0 20 - 1 - Peak 4866 from cnoeabs.peaks (7.65, 4.14, 56.45 ppm; 4.41 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 108 + HA ASN 108 OK 100 100 - 100 - 4.3=100 HD21 ASN 108 - HA ALA 98 OK 35 99 - 35 - 696=7, 3.5/4869=7...(8) H ALA 122 - HA ASN 108 OK 23 100 - 23 - 4872/3.0=5, 1320/3.0=5...(7) H ALA 122 - HA ALA 98 OK 11 99 - 11 - 1402/2.1=2, 2.9/6199=1 HD21 ASN 108 - HA ARG 57 lone 2 42 - 4 - H ALA 122 - HA ARG 57 lone 1 42 - 2 - Peak 4867 from cnoeabs.peaks (6.97, 4.14, 56.45 ppm; 4.53 A): 3 out of 12 assignments used, quality = 1.00: * HD22 ASN 108 + HA ASN 108 OK 100 100 - 100 - 4.3=100 H LEU 101 + HA ALA 98 OK 55 98 - 56 - 1728/3.6=20, 1729=12...(15) H LEU 101 + HA ASN 108 OK 45 100 - 46 - 1729=10, 549/3.6=7...(12) HD22 ASN 108 - HA ALA 98 OK 41 99 - 42 - 7566/2.1=8, 1.7/4866=8...(8) QE PHE 107 - HA ASN 108 OK 33 93 - 35 - 1321/3.0=8, 549/3.6=7...(9) QE PHE 107 - HA ALA 98 OK 27 90 - 30 - 1723/3.6=6, 7566/2.1=5...(12) HD22 ASN 12 - HA ALA 98 OK 12 87 - 13 - 1723/3.6=4, 7566/2.1=3, ~8360=2 HD22 ASN 12 - HA ASN 108 lone 9 90 - 10 - 549/3.6=2, 4873/3.0=2...(4) H LEU 101 - HA ARG 57 poor 9 42 - 21 - 1729=4, 6726/3.0=3...(7) QE PHE 107 - HA ARG 57 poor 7 36 - 21 - 6726/3.0=4, 4789/3.0=2...(7) HD22 ASN 12 - HA ARG 57 lone 3 34 - 9 - 6726/3.0=1, ~6284=1 HD22 ASN 108 - HA ARG 57 lone 2 42 - 5 - Peak 4868 from cnoeabs.peaks (8.84, 2.79, 36.99 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.92: * H ASN 108 + HB2 ASN 108 OK 90 100 - 90 - 4.0=81, 1319/1.8=21...(6) H ALA 14 + HB2 ASN 108 OK 15 100 - 15 - 4862/3.0=4, 4874/1.8=4...(5) H VAL 50 - HB2 ASN 108 lone 6 99 - 6 - 4862/3.0=2, 4874/1.8=2...(4) Peak 4869 from cnoeabs.peaks (4.14, 2.79, 36.99 ppm; 3.29 A): 1 out of 14 assignments used, quality = 1.00: * HA ASN 108 + HB2 ASN 108 OK 100 100 - 100 - 3.0=100 HA ALA 98 - HB2 ASN 108 OK 31 99 - 31 - 4864=7, 3.0/484=5...(12) HA ILE 124 - HB2 ASN 108 lone 6 100 - 6 - 8122/1.8=2 HB3 SER 78 - HB2 ASN 108 lone 5 90 - 5 - HA PRO 37 - HB2 ASN 108 lone 4 100 - 4 - 545/4.6=1 HA ILE 63 - HB2 ASN 108 lone 3 100 - 3 - HA SER 78 - HB2 ASN 108 lone 3 71 - 4 - HB2 SER 113 - HB2 ASN 108 lone 2 97 - 2 - HA GLU 28 - HB2 ASN 108 lone 2 92 - 2 - HA ARG 57 - HB2 ASN 108 lone 2 60 - 3 - HA PHE 83 - HB2 ASN 108 lone 2 100 - 2 - HB3 SER 72 - HB2 ASN 108 lone 1 100 - 1 - HA GLU 56 - HB2 ASN 108 lone 1 68 - 1 - HA3 GLY 25 - HB2 ASN 108 lone 1 60 - 1 - Peak 4870 from cnoeabs.peaks (2.79, 2.79, 36.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 108 + HB2 ASN 108 OK 100 100 - 100 Peak 4871 from cnoeabs.peaks (2.73, 2.79, 36.99 ppm; 2.48 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 108 + HB2 ASN 108 OK 100 100 - 100 - 1.8=100 HB3 ASN 106 - HB2 ASN 108 OK 26 100 - 26 - 4876=9, ~4811=3...(10) HB3 ASN 99 - HB2 ASN 108 OK 12 100 - 12 - 704/3.5=2, 4865/3.0=2...(6) HE3 LYS 65 - HB2 ASN 108 lone 1 71 - 1 - HB2 ASP 123 - HB2 ASN 108 lone 1 60 - 1 - Peak 4872 from cnoeabs.peaks (7.65, 2.79, 36.99 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 108 + HB2 ASN 108 OK 100 100 - 100 - 3.5=100 H ALA 122 - HB2 ASN 108 OK 20 100 - 20 - 4878/1.8=5, 4866/3.0=4...(5) Peak 4873 from cnoeabs.peaks (6.97, 2.79, 36.99 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 108 + HB2 ASN 108 OK 100 100 - 100 - 3.5=100 QE PHE 107 - HB2 ASN 108 OK 28 93 - 30 - 1321/4.0=7, 549/4.6=6...(9) H LEU 101 - HB2 ASN 108 OK 27 100 - 27 - 4879/1.8=7, 1729/3.0=7...(6) HD22 ASN 12 - HB2 ASN 108 lone 8 90 - 8 - 549/4.6=2, 4879/1.8=1 Peak 4874 from cnoeabs.peaks (8.84, 2.73, 36.99 ppm; 3.68 A): 2 out of 6 assignments used, quality = 0.96: * H ASN 108 + HB3 ASN 108 OK 91 100 - 91 - 4.0=77, 1318/1.8=34...(9) H ASN 108 + HB3 ASN 106 OK 53 92 - 58 - 7830/3.0=23, 1319=16...(10) H ALA 14 - HB3 ASN 108 OK 17 100 - 17 - 4868/1.8=5, 4862/3.0=3...(5) H VAL 50 - HB3 ASN 108 lone 7 99 - 7 - 4868/1.8=2, 4862/3.0=2...(4) H ALA 14 - HB3 ASN 106 lone 5 91 - 6 - 1510/4.5=3 H VAL 50 - HB3 ASN 106 lone 4 90 - 4 - 1510/4.5=3 Peak 4875 from cnoeabs.peaks (4.14, 2.73, 36.99 ppm; 3.25 A): 1 out of 28 assignments used, quality = 1.00: * HA ASN 108 + HB3 ASN 108 OK 100 100 - 100 - 3.0=100 HA ASN 108 - HB3 ASN 106 OK 39 92 - 42 - 4865=8, 3.0/1319=8...(11) HA ALA 98 - HB3 ASN 108 OK 33 99 - 33 - 4869/1.8=6, 4865=6...(13) HA ILE 124 - HB3 ASN 108 lone 8 100 - 7 - 4869/1.8=1, 8122=1 HA ALA 98 - HB3 ASN 106 lone 6 91 - 6 - 3.6/1264=2, 4865=1 HB3 SER 78 - HB3 ASN 108 lone 5 90 - 6 - HA PRO 37 - HB3 ASN 108 lone 4 100 - 4 - 545/4.6=1 HA ILE 124 - HB3 ASN 106 lone 4 92 - 4 - HA SER 78 - HB3 ASN 108 lone 3 71 - 5 - HA ILE 63 - HB3 ASN 108 lone 3 100 - 3 - HA PRO 37 - HB3 ASN 106 lone 3 92 - 3 - 5998/1.8=1 HA GLU 28 - HB3 ASN 108 lone 2 92 - 3 - HB2 SER 113 - HB3 ASN 108 lone 2 97 - 2 - HA ARG 57 - HB3 ASN 108 lone 2 60 - 4 - HA PHE 83 - HB3 ASN 108 lone 2 100 - 2 - HA GLU 28 - HB3 ASN 106 lone 2 81 - 2 - HB3 SER 72 - HB3 ASN 108 lone 1 100 - 1 - HB3 SER 78 - HB3 ASN 106 lone 1 79 - 1 - HA3 GLY 25 - HB3 ASN 106 lone 1 50 - 2 - HA PHE 83 - HB3 ASN 106 lone 1 91 - 1 - HA ILE 63 - HB3 ASN 106 lone 1 91 - 1 - HB2 SER 113 - HB3 ASN 106 lone 1 87 - 1 - HA GLU 56 - HB3 ASN 108 lone 1 68 - 1 - HA3 GLY 25 - HB3 ASN 108 lone 1 60 - 1 - HA SER 78 - HB3 ASN 106 lone 1 60 - 1 - HA ARG 57 - HB3 ASN 106 lone 1 50 - 1 - HB3 SER 72 - HB3 ASN 106 lone 0 92 - 0 - HA GLU 56 - HB3 ASN 106 lone 0 58 - 1 - Peak 4876 from cnoeabs.peaks (2.79, 2.73, 36.99 ppm; 2.49 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASN 108 + HB3 ASN 108 OK 100 100 - 100 - 1.8=100 HB2 ASN 108 - HB3 ASN 106 OK 25 92 - 27 - 4871=9, ~4811=3...(10) HB2 ASP 97 - HB3 ASN 108 lone 9 100 - 8 - 703/3.5=1, 697/3.5=1...(4) HB2 CYS 76 - HB3 ASN 108 lone 2 71 - 3 - HB2 CYS 76 - HB3 ASN 106 lone 2 60 - 3 - HB2 ASP 97 - HB3 ASN 106 lone 2 92 - 2 - Peak 4877 from cnoeabs.peaks (2.73, 2.73, 36.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 108 + HB3 ASN 108 OK 100 100 - 100 HB3 ASN 106 + HB3 ASN 106 OK 92 92 - 100 Peak 4878 from cnoeabs.peaks (7.65, 2.73, 36.99 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 108 + HB3 ASN 108 OK 100 100 - 100 - 3.5=100 HD21 ASN 108 - HB3 ASN 106 OK 43 92 - 47 - 698=12, 1.7/704=10...(9) H ALA 122 - HB3 ASN 108 OK 23 100 - 22 - 4872/1.8=7, 4866/3.0=4...(5) H ALA 122 - HB3 ASN 106 lone 4 92 - 4 - Peak 4879 from cnoeabs.peaks (6.97, 2.73, 36.99 ppm; 4.10 A): 1 out of 8 assignments used, quality = 1.00: * HD22 ASN 108 + HB3 ASN 108 OK 100 100 - 100 - 3.5=100 H LEU 101 - HB3 ASN 108 OK 42 100 - 42 - 4.3/8149=11, 3.6/7693=8...(12) HD22 ASN 108 - HB3 ASN 106 OK 41 92 - 45 - 704=11, 1.7/698=9...(10) QE PHE 107 - HB3 ASN 108 OK 31 93 - 34 - 4873/1.8=6, 1321/4.0=5...(12) H LEU 101 - HB3 ASN 106 OK 25 92 - 27 - 3.6/7693=9, 497/1.8=5...(5) HD22 ASN 12 - HB3 ASN 108 lone 9 90 - 9 - 4873/1.8=2, 549/4.6=1 HD22 ASN 12 - HB3 ASN 106 poor 8 79 - 10 - 656/1.8=3, ~650=2 QE PHE 107 - HB3 ASN 106 lone 8 82 - 10 - 4.4/7804=2, 4.4/4623=1 Peak 4880 from cnoeabs.peaks (7.48, 4.05, 58.55 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 109 + HA LYS 109 OK 100 100 - 100 - 3.0=100 H GLY 104 - HA LYS 109 OK 41 100 - 41 - 4900/2.9=7, 4890/2.9=7...(13) H ALA 43 - HA LYS 109 OK 33 85 - 39 - 4890/2.9=6, 4900/2.9=6...(13) H LYS 109 - HA GLN 16 lone 4 50 - 8 - 1323=1, ~7837=1 H GLY 104 - HA GLN 16 lone 2 50 - 5 - 3.6/7772=1, 4.6/507=1 H ALA 43 - HA GLN 16 lone 1 37 - 2 - Peak 4881 from cnoeabs.peaks (4.05, 4.05, 58.55 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA LYS 109 + HA LYS 109 OK 100 100 - 100 HA GLN 16 - HA GLN 16 OK 36 36 - 100 Peak 4882 from cnoeabs.peaks (1.94, 4.05, 58.55 ppm; 3.38 A): 2 out of 34 assignments used, quality = 1.00: * HB2 LYS 109 + HA LYS 109 OK 100 100 - 100 - 2.9=100 HG LEU 58 + HA LYS 109 OK 48 100 - 49 - 2.1/7060=7, 3.0/4883=6...(21) HB3 ARG 85 - HA LYS 109 OK 29 97 - 30 - 4902/2.9=3, 3.0/4884=3...(14) HB2 ARG 85 - HA LYS 109 OK 29 97 - 30 - 4902/2.9=3, 3.0/4884=3...(14) HB3 LYS 119 - HA LYS 109 OK 28 99 - 28 - 1.8/4883=3, 4.0/6210=3...(11) HB3 PRO 30 - HA LYS 109 OK 16 97 - 17 - 4902/2.9=2, 4922/3.7=1...(4) HB ILE 80 - HA LYS 109 lone 7 92 - 8 - 3.2/7412=2 HB2 GLU 38 - HA LYS 109 lone 6 100 - 6 - 3.8/151=1 HB3 GLU 64 - HA LYS 109 lone 4 100 - 4 - HB2 GLU 64 - HA LYS 109 lone 4 100 - 4 - HB2 LEU 21 - HA LYS 109 lone 4 97 - 4 - HB2 LYS 109 - HA GLN 16 lone 3 50 - 7 - 4891=1 HB ILE 80 - HA GLN 16 lone 3 42 - 8 - 3.2/7412=2, ~6125=1, ~7390=1 HB ILE 22 - HA LYS 109 lone 3 63 - 5 - HB2 GLU 38 - HA GLN 16 lone 3 50 - 5 - HB3 GLU 69 - HA LYS 109 lone 3 99 - 2 - HB3 GLU 94 - HA LYS 109 lone 2 90 - 3 - HB3 GLU 69 - HA GLN 16 lone 2 49 - 5 - HB3 MET 11 - HA LYS 109 lone 2 81 - 2 - HB2 ARG 81 - HA LYS 109 lone 2 60 - 3 - HB2 LEU 21 - HA GLN 16 lone 2 45 - 4 - HB3 GLU 73 - HA LYS 109 lone 2 68 - 3 - HB2 GLU 64 - HA GLN 16 lone 1 50 - 3 - HB3 GLU 64 - HA GLN 16 lone 1 50 - 3 - HG LEU 58 - HA GLN 16 lone 1 49 - 2 - HB2 ARG 81 - HA GLN 16 lone 1 24 - 5 - HB3 PRO 30 - HA GLN 16 lone 1 46 - 2 - ~31=1 HB3 LYS 119 - HA GLN 16 lone 1 49 - 2 - HB2 ARG 85 - HA GLN 16 lone 1 46 - 2 - HB3 ARG 85 - HA GLN 16 lone 1 46 - 2 - HB3 MET 11 - HA GLN 16 lone 1 34 - 2 - HB ILE 22 - HA GLN 16 lone 1 25 - 2 - HB3 GLU 94 - HA GLN 16 lone 0 40 - 1 - HB3 GLU 73 - HA GLN 16 lone 0 28 - 1 - Peak 4883 from cnoeabs.peaks (1.86, 4.05, 58.55 ppm; 3.40 A): 2 out of 26 assignments used, quality = 1.00: * HB3 LYS 109 + HA LYS 109 OK 100 100 - 100 - 2.9=100 HB2 LEU 58 + HA LYS 109 OK 57 99 - 58 - 4893/2.9=7, 1325/3.0=6...(26) HB2 LYS 119 - HA LYS 109 OK 24 85 - 29 - 4893/2.9=3, 1.8/4882=3...(11) HB3 LYS 31 - HA LYS 109 OK 14 85 - 16 - 553/3.6=2, 4893/2.9=2...(5) HG LEU 55 - HA LYS 109 OK 12 87 - 14 - 2.1/3248=1, 3241=1...(4) HG3 PRO 68 - HA LYS 109 OK 12 100 - 12 - 2.3/6206=2, 2.3/6206=2...(4) HG12 ILE 22 - HA LYS 109 lone 5 89 - 6 - HB2 ARG 92 - HA LYS 109 lone 5 97 - 5 - HB3 GLU 28 - HA LYS 109 lone 4 100 - 4 - HB VAL 50 - HA LYS 109 lone 4 85 - 4 - HG LEU 84 - HA LYS 109 lone 3 78 - 4 - 553/3.6=1 HB3 LYS 109 - HA GLN 16 lone 3 50 - 7 - 4901=1 HG3 GLU 73 - HA LYS 109 lone 2 71 - 3 - HG2 GLU 73 - HA LYS 109 lone 2 68 - 2 - HB2 LEU 58 - HA GLN 16 lone 1 49 - 2 - HG LEU 55 - HA GLN 16 lone 1 38 - 2 - HG3 PRO 68 - HA GLN 16 lone 1 50 - 2 - HB VAL 50 - HA GLN 16 lone 1 37 - 2 - HB2 LYS 119 - HA GLN 16 lone 1 37 - 2 - HB3 GLU 28 - HA GLN 16 lone 0 50 - 1 - HG12 ILE 22 - HA GLN 16 lone 0 39 - 1 - HG LEU 84 - HA GLN 16 lone 0 33 - 1 - HB3 LYS 31 - HA GLN 16 lone 0 37 - 1 - HB2 ARG 92 - HA GLN 16 lone 0 46 - 1 - HG3 GLU 73 - HA GLN 16 lone 0 29 - 1 - HG2 GLU 73 - HA GLN 16 lone 0 28 - 1 - Peak 4884 from cnoeabs.peaks (1.48, 4.05, 58.55 ppm; 3.67 A): 2 out of 28 assignments used, quality = 0.99: * HG2 LYS 109 + HA LYS 109 OK 98 100 - 99 - 3.7=95, 4910/3.0=12...(24) HB3 LEU 58 + HA LYS 109 OK 61 99 - 62 - 1.8/4883=9, 7058=8...(25) HG2 ARG 85 - HA LYS 109 OK 41 87 - 47 - 4894/2.9=4, 4904/2.9=4...(26) HD2 LYS 46 - HA LYS 109 OK 40 78 - 51 - 1.8/4885=7, 8574=4...(23) HG2 LYS 119 - HA LYS 109 OK 23 83 - 27 - 2.9/4883=3, 4.9/6210=3...(11) HG3 LYS 31 - HA LYS 109 OK 14 89 - 16 - 4911=2, 554/3.6=2...(8) QB ALA 14 - HA LYS 109 OK 14 92 - 15 - ~1741=2, 1326/3.0=2...(5) QB ALA 14 - HA GLN 16 OK 13 42 - 31 - 6315/3.6=6, ~1534=4...(11) HG3 ARG 57 - HA LYS 109 lone 7 95 - 7 - 5.1/6210=2 HG LEU 93 - HA LYS 109 lone 7 96 - 7 - HB2 LEU 93 - HA LYS 109 lone 7 92 - 7 - HB3 LEU 114 - HA LYS 109 lone 6 83 - 7 - 4.6/1770=1, 554/3.6=1 HG LEU 91 - HA LYS 109 lone 5 98 - 5 - HB3 LEU 114 - HA GLN 16 poor 4 36 - 11 - 5072/3.0=2, 5072/3.0=2 HB2 LEU 24 - HA LYS 109 lone 3 68 - 5 - HG2 LYS 109 - HA GLN 16 lone 3 50 - 6 - HG3 ARG 92 - HA LYS 109 lone 3 63 - 4 - HG3 ARG 57 - HA GLN 16 lone 2 44 - 6 - HB3 LEU 58 - HA GLN 16 lone 2 48 - 4 - HD2 LYS 46 - HA GLN 16 lone 2 33 - 5 - HB2 LEU 93 - HA GLN 16 lone 1 42 - 2 - HG2 LYS 119 - HA GLN 16 lone 1 36 - 2 - HG LEU 93 - HA GLN 16 lone 1 45 - 1 - HG2 ARG 85 - HA GLN 16 lone 1 38 - 2 - HG LEU 91 - HA GLN 16 lone 1 47 - 1 - HG3 LYS 31 - HA GLN 16 lone 0 39 - 1 - HB2 LEU 24 - HA GLN 16 lone 0 28 - 1 - HG3 ARG 92 - HA GLN 16 lone 0 25 - 1 - Peak 4885 from cnoeabs.peaks (1.55, 4.05, 58.55 ppm; 3.85 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 109 + HA LYS 109 OK 100 100 - 100 - 3.7=100 HD3 LYS 46 - HA LYS 109 OK 44 81 - 55 - 4895/2.9=7, 4905/2.9=7...(25) HB3 LYS 65 - HA LYS 109 OK 28 100 - 28 - 4895/2.9=4, 4905/2.9=4...(9) HB2 LYS 65 - HA LYS 109 OK 28 100 - 28 - 4895/2.9=4, 4905/2.9=4...(9) HG12 ILE 124 - HA LYS 109 OK 12 100 - 11 - 1327/3.0=2, 4905/2.9=2...(5) HG3 LYS 109 - HA GLN 16 lone 3 50 - 6 - 4921=1 HD3 LYS 46 - HA GLN 16 lone 2 34 - 4 - HG12 ILE 124 - HA GLN 16 lone 1 50 - 1 - HB2 LYS 65 - HA GLN 16 lone 1 49 - 1 - HB3 LYS 65 - HA GLN 16 lone 1 49 - 1 - Peak 4886 from cnoeabs.peaks (1.76, 4.05, 58.55 ppm; 3.80 A): 3 out of 32 assignments used, quality = 0.99: * HD2 LYS 109 + HA LYS 109 OK 90 100 - 90 - 5.2=40, 3.0/4911=10...(36) HD3 LYS 109 + HA LYS 109 OK 90 100 - 90 - 5.2=40, 3.0/4911=10...(36) HB3 LYS 46 + HA LYS 109 OK 48 97 - 50 - 3.5/4885=5, 3.5/8574=5...(22) HG2 GLN 42 - HA LYS 109 OK 24 100 - 24 - 5570/3.0=3, ~5571=3...(10) HB2 PRO 37 - HA LYS 109 OK 19 73 - 25 - 2.3/2691=3, 2.3/2670=3...(14) HG3 PRO 30 - HA LYS 109 OK 18 100 - 18 - 4897/2.9=2, 2.3/4882=2...(7) HB2 LEU 117 - HA LYS 109 OK 16 97 - 16 - 7994/3.6=4, 4907/2.9=1...(5) HG LEU 117 - HA LYS 109 OK 15 100 - 15 - 7996/3.6=4, 4897/2.9=1...(4) HB2 LEU 45 - HA LYS 109 lone 10 98 - 10 - 4.3/6863=3, 4.0/187=1 HG3 ARG 71 - HA LYS 109 lone 6 99 - 6 - HB2 GLU 75 - HA LYS 109 lone 5 95 - 5 - HG2 ARG 71 - HA LYS 109 lone 5 85 - 6 - HB2 PRO 37 - HA GLN 16 poor 5 30 - 17 - 2.3/2691=2, 3.0/2656=2...(7) HB2 ARG 53 - HA LYS 109 lone 4 81 - 5 - 3.0/6208=1 HB2 LYS 32 - HA LYS 109 lone 4 73 - 5 - HB VAL 66 - HA LYS 109 lone 3 92 - 3 - HD2 LYS 109 - HA GLN 16 lone 3 50 - 5 - HD3 LYS 109 - HA GLN 16 lone 3 50 - 5 - HB2 LEU 91 - HA LYS 109 lone 3 63 - 4 - HB3 LYS 46 - HA GLN 16 lone 2 45 - 5 - HG3 PRO 30 - HA GLN 16 lone 2 50 - 3 - ~31=1 HB2 GLU 75 - HA GLN 16 lone 1 44 - 3 - HB2 LEU 117 - HA GLN 16 lone 1 45 - 2 - HG LEU 117 - HA GLN 16 lone 1 50 - 2 - HG2 GLN 42 - HA GLN 16 lone 1 50 - 2 - HB2 LEU 45 - HA GLN 16 lone 1 47 - 1 - HB VAL 66 - HA GLN 16 lone 1 42 - 1 - HB2 ARG 53 - HA GLN 16 lone 1 34 - 2 - HB2 LYS 32 - HA GLN 16 lone 0 30 - 1 - HG3 ARG 71 - HA GLN 16 lone 0 49 - 1 - HG2 ARG 71 - HA GLN 16 lone 0 37 - 1 - HB2 LEU 91 - HA GLN 16 lone 0 25 - 1 - Peak 4887 from cnoeabs.peaks (1.77, 4.05, 58.55 ppm; 3.80 A): 3 out of 32 assignments used, quality = 0.99: * HD3 LYS 109 + HA LYS 109 OK 90 100 - 90 - 5.2=40, 3.0/4911=10...(36) HD2 LYS 109 + HA LYS 109 OK 90 100 - 90 - 5.2=40, 3.0/4911=10...(36) HB3 LYS 46 + HA LYS 109 OK 46 93 - 50 - 3.5/4885=5, 3.5/8574=5...(22) HG2 GLN 42 - HA LYS 109 OK 23 99 - 23 - 5570/3.0=3, ~5571=3...(10) HB2 PRO 37 - HA LYS 109 OK 21 81 - 25 - 2.3/2691=3, 2.3/2670=3...(14) HG3 PRO 30 - HA LYS 109 OK 18 100 - 18 - 4897/2.9=2, 2.3/4882=2...(7) HB2 LEU 117 - HA LYS 109 OK 16 99 - 17 - 7994/3.6=4, 4907/2.9=1...(5) HG LEU 117 - HA LYS 109 OK 15 100 - 15 - 7996/3.6=4, 4897/2.9=1...(4) HB2 LEU 45 - HA LYS 109 lone 9 96 - 10 - 4.3/6863=3, 4.0/187=1 HG3 ARG 71 - HA LYS 109 lone 6 98 - 6 - HB2 PRO 37 - HA GLN 16 poor 6 34 - 17 - 2.3/2691=2, 2677=2...(7) HB2 GLU 75 - HA LYS 109 lone 5 97 - 5 - HG2 ARG 71 - HA LYS 109 lone 5 78 - 6 - HB3 GLU 56 - HA LYS 109 lone 4 65 - 7 - 4.6/6210=3, 3.7/251=1 HB2 LYS 32 - HA LYS 109 lone 4 81 - 5 - HB2 ARG 53 - HA LYS 109 lone 4 73 - 5 - 3.0/6208=1 HB VAL 66 - HA LYS 109 lone 3 87 - 3 - HD3 LYS 109 - HA GLN 16 lone 3 50 - 5 - HD2 LYS 109 - HA GLN 16 lone 3 50 - 5 - HB3 GLU 56 - HA GLN 16 lone 2 26 - 9 - ~8303=2, ~814=1, ~8302=1, ~33=1 HB3 LYS 46 - HA GLN 16 lone 2 43 - 5 - HG3 PRO 30 - HA GLN 16 lone 2 50 - 3 - ~31=1 HB2 GLU 75 - HA GLN 16 lone 1 46 - 3 - HB2 LEU 117 - HA GLN 16 lone 1 48 - 2 - HG LEU 117 - HA GLN 16 lone 1 50 - 2 - HG2 GLN 42 - HA GLN 16 lone 1 49 - 2 - HB2 LEU 45 - HA GLN 16 lone 1 45 - 1 - HB VAL 66 - HA GLN 16 lone 1 38 - 1 - HB2 LYS 32 - HA GLN 16 lone 0 34 - 1 - HB2 ARG 53 - HA GLN 16 lone 0 30 - 2 - HG3 ARG 71 - HA GLN 16 lone 0 47 - 1 - HG2 ARG 71 - HA GLN 16 lone 0 33 - 1 - Peak 4888 from cnoeabs.peaks (3.02, 4.05, 58.55 ppm; 4.74 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 109 + HA LYS 109 OK 95 100 - 95 - 6.1=46, 3.5/4911=12...(33) HE3 LYS 109 + HA LYS 109 OK 95 100 - 95 - 6.1=46, 3.5/4911=12...(33) HB2 TYR 102 + HA LYS 109 OK 61 92 - 67 - 4693=11, 1.8/4699=10...(24) HD2 ARG 85 + HA LYS 109 OK 58 97 - 59 - 4909/2.9=7, 4898/2.9=6...(24) HB3 TYR 102 - HA LYS 109 OK 40 63 - 64 - 1.8/4693=10, 2.5/4608=9...(23) HB2 TYR 102 - HA GLN 16 poor 8 42 - 20 - 4693=3, 4.0/1279=3...(8) HB3 TYR 102 - HA GLN 16 poor 4 25 - 18 - 1.8/4693=3, 4.0/1279=3...(6) HE3 LYS 109 - HA GLN 16 lone 4 50 - 7 - HE2 LYS 109 - HA GLN 16 lone 4 50 - 7 - HD2 ARG 85 - HA GLN 16 lone 2 46 - 5 - 7501/3.6=1 Peak 4889 from cnoeabs.peaks (3.02, 4.05, 58.55 ppm; 4.74 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 109 + HA LYS 109 OK 95 100 - 95 - 6.1=46, 3.5/4911=12...(33) * HE3 LYS 109 + HA LYS 109 OK 95 100 - 95 - 6.1=46, 3.5/4911=12...(33) HB2 TYR 102 + HA LYS 109 OK 61 92 - 67 - 4693=11, 1.8/4699=10...(24) HD2 ARG 85 + HA LYS 109 OK 58 97 - 59 - 4909/2.9=7, 4898/2.9=6...(24) HB3 TYR 102 - HA LYS 109 OK 40 63 - 64 - 1.8/4693=10, 2.5/4608=9...(23) HB2 TYR 102 - HA GLN 16 poor 8 42 - 20 - 4693=3, 4.0/1279=3...(8) HB3 TYR 102 - HA GLN 16 poor 4 25 - 18 - 1.8/4693=3, 4.0/1279=3...(6) HE3 LYS 109 - HA GLN 16 lone 4 50 - 7 - HE2 LYS 109 - HA GLN 16 lone 4 50 - 7 - HD2 ARG 85 - HA GLN 16 lone 2 46 - 5 - 7501/3.6=1 Peak 4890 from cnoeabs.peaks (7.48, 1.94, 32.56 ppm; 3.55 A): 3 out of 3 assignments used, quality = 0.95: * H LYS 109 + HB2 LYS 109 OK 89 100 - 89 - 4.0=68, 4900/1.8=22...(13) H GLY 104 + HB2 LYS 109 OK 34 100 - 34 - 4900/1.8=8, 4920/2.9=6...(10) H ALA 43 + HB2 LYS 109 OK 27 85 - 31 - 4900/1.8=6, 4880/2.9=5...(13) Peak 4891 from cnoeabs.peaks (4.05, 1.94, 32.56 ppm; 3.51 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 109 + HB2 LYS 109 OK 100 100 - 100 - 2.9=100 HA TYR 102 + HB2 LYS 109 OK 48 99 - 48 - 4901/1.8=7, 4921/2.9=6...(21) HA SER 112 - HB2 LYS 109 OK 26 99 - 26 - 4901/1.8=4, ~6205=3...(10) HD3 PRO 37 - HB2 LYS 109 OK 22 98 - 23 - 4901/1.8=3, 4921/2.9=2...(9) HA LEU 55 - HB2 LYS 109 OK 18 100 - 18 - 4901/1.8=3, 4921/2.9=2...(5) HA SER 44 - HB2 LYS 109 OK 11 92 - 12 - 4901/1.8=2, 3.0/7846=1...(5) HA GLN 16 - HB2 LYS 109 lone 6 83 - 7 - Peak 4892 from cnoeabs.peaks (1.94, 1.94, 32.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 109 + HB2 LYS 109 OK 100 100 - 100 Peak 4893 from cnoeabs.peaks (1.86, 1.94, 32.56 ppm; 2.56 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LYS 109 + HB2 LYS 109 OK 100 100 - 100 - 1.8=100 HB2 LEU 58 - HB2 LYS 109 OK 37 99 - 37 - 4883/2.9=3, 1.8/4894=3...(21) HB2 LYS 119 - HB2 LYS 109 OK 19 85 - 22 - 5203=4, 4923/2.9=1...(7) HB3 LYS 31 - HB2 LYS 109 poor 10 85 - 11 - HG3 PRO 68 - HB2 LYS 109 lone 6 100 - 6 - HG LEU 55 - HB2 LYS 109 lone 5 87 - 6 - HG12 ILE 22 - HB2 LYS 109 lone 3 89 - 4 - HB2 ARG 92 - HB2 LYS 109 lone 3 97 - 3 - HG LEU 84 - HB2 LYS 109 lone 2 78 - 3 - HB3 GLU 28 - HB2 LYS 109 lone 2 100 - 2 - HB VAL 50 - HB2 LYS 109 lone 2 85 - 2 - HG3 GLU 73 - HB2 LYS 109 lone 1 71 - 2 - HG2 GLU 73 - HB2 LYS 109 lone 1 68 - 2 - Peak 4894 from cnoeabs.peaks (1.48, 1.94, 32.56 ppm; 3.58 A): 3 out of 14 assignments used, quality = 1.00: * HG2 LYS 109 + HB2 LYS 109 OK 100 100 - 100 - 2.9=100 HB3 LEU 58 + HB2 LYS 109 OK 64 99 - 65 - 1.8/4893=9, 4904/1.8=7...(31) HG2 ARG 85 + HB2 LYS 109 OK 52 87 - 60 - 4904/1.8=5, 4924/2.9=5...(33) HD2 LYS 46 - HB2 LYS 109 OK 42 78 - 54 - 1.8/4895=7, ~4905=5...(26) HG2 LYS 119 - HB2 LYS 109 OK 28 83 - 34 - 2.9/5203=4, 4904/1.8=3...(14) HG3 LYS 31 - HB2 LYS 109 OK 19 89 - 21 - 4904/1.8=2, 2.9/4893=2...(7) QB ALA 14 - HB2 LYS 109 OK 11 92 - 11 - 6308=2, 1326/4.0=2...(4) HB2 LEU 93 - HB2 LYS 109 lone 7 92 - 8 - HG LEU 93 - HB2 LYS 109 lone 7 96 - 7 - HG3 ARG 57 - HB2 LYS 109 lone 6 95 - 6 - HG LEU 91 - HB2 LYS 109 lone 6 98 - 6 - HB3 LEU 114 - HB2 LYS 109 lone 5 83 - 5 - HB2 LEU 24 - HB2 LYS 109 lone 4 68 - 5 - HG3 ARG 92 - HB2 LYS 109 lone 3 63 - 5 - Peak 4895 from cnoeabs.peaks (1.55, 1.94, 32.56 ppm; 3.62 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 109 + HB2 LYS 109 OK 100 100 - 100 - 2.9=100 HD3 LYS 46 + HB2 LYS 109 OK 46 81 - 58 - 4905/1.8=8, 4885/2.9=5...(31) HB3 LYS 65 - HB2 LYS 109 OK 31 100 - 31 - 4905/1.8=5, 8757=4...(11) HB2 LYS 65 - HB2 LYS 109 OK 31 100 - 31 - 4905/1.8=5, 8757=4...(11) HG12 ILE 124 - HB2 LYS 109 OK 13 100 - 12 - 4905/1.8=2, 4885/2.9=1...(5) Peak 4896 from cnoeabs.peaks (1.76, 1.94, 32.56 ppm; 3.58 A): 3 out of 16 assignments used, quality = 1.00: * HD2 LYS 109 + HB2 LYS 109 OK 95 100 - 95 - 3.9=79, 4945/2.9=10...(34) HD3 LYS 109 + HB2 LYS 109 OK 95 100 - 95 - 3.9=79, 4945/2.9=10...(34) HB3 LYS 46 + HB2 LYS 109 OK 45 97 - 47 - 3.5/4895=5, 4906/1.8=5...(22) HG3 PRO 30 - HB2 LYS 109 OK 23 100 - 23 - 2.3/2369=2, 4907/1.8=2...(11) HB2 PRO 37 - HB2 LYS 109 OK 14 73 - 19 - 3.0/4891=3, ~4901=2...(9) HG LEU 117 - HB2 LYS 109 OK 14 100 - 14 - 7996/4.6=3, 4907/1.8=1 HB2 LEU 117 - HB2 LYS 109 OK 14 97 - 14 - 7994/4.6=3, 4907/1.8=1 HG2 GLN 42 - HB2 LYS 109 OK 13 100 - 13 - 5570/4.0=2, 3.5/5868=2...(4) HB2 LYS 32 - HB2 LYS 109 lone 7 73 - 10 - 4.0/6610=1, 4.7/7839=1 HG3 ARG 71 - HB2 LYS 109 lone 7 99 - 7 - HG2 ARG 71 - HB2 LYS 109 lone 5 85 - 6 - HB2 LEU 45 - HB2 LYS 109 lone 5 98 - 5 - HB2 GLU 75 - HB2 LYS 109 lone 4 95 - 4 - HB2 ARG 53 - HB2 LYS 109 lone 3 81 - 4 - HB2 LEU 91 - HB2 LYS 109 lone 3 63 - 4 - HB VAL 66 - HB2 LYS 109 lone 3 92 - 3 - Peak 4897 from cnoeabs.peaks (1.77, 1.94, 32.56 ppm; 3.58 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 109 + HB2 LYS 109 OK 95 100 - 95 - 3.9=79, 4945/2.9=10...(34) HD2 LYS 109 + HB2 LYS 109 OK 95 100 - 95 - 3.9=79, 4945/2.9=10...(34) HB3 LYS 46 - HB2 LYS 109 OK 44 93 - 47 - 3.5/4895=5, 4906/1.8=5...(22) HG3 PRO 30 - HB2 LYS 109 OK 23 100 - 23 - 2.3/2369=2, 4907/1.8=2...(11) HB2 PRO 37 - HB2 LYS 109 OK 16 81 - 19 - 3.0/4891=3, ~4901=2...(9) HG LEU 117 - HB2 LYS 109 OK 14 100 - 14 - 7996/4.6=3, 4907/1.8=1 HB2 LEU 117 - HB2 LYS 109 OK 14 99 - 14 - 7994/4.6=3, 4907/1.8=1 HG2 GLN 42 - HB2 LYS 109 OK 13 99 - 13 - 5570/4.0=2, 3.5/5868=2...(4) HB2 LYS 32 - HB2 LYS 109 lone 8 81 - 10 - 4.0/6610=1, 4.7/7839=1 HG3 ARG 71 - HB2 LYS 109 lone 7 98 - 7 - HG2 ARG 71 - HB2 LYS 109 lone 5 78 - 6 - HB2 LEU 45 - HB2 LYS 109 lone 5 96 - 5 - HB2 GLU 75 - HB2 LYS 109 lone 4 97 - 4 - HB2 ARG 53 - HB2 LYS 109 lone 3 73 - 4 - HB VAL 66 - HB2 LYS 109 lone 3 87 - 3 - HB3 GLU 56 - HB2 LYS 109 lone 1 65 - 2 - Peak 4898 from cnoeabs.peaks (3.02, 1.94, 32.56 ppm; 4.28 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 109 + HB2 LYS 109 OK 97 100 - 97 - 4.7=76, 4965/2.9=12...(30) * HE2 LYS 109 + HB2 LYS 109 OK 97 100 - 97 - 4.7=76, 4965/2.9=12...(30) HD2 ARG 85 + HB2 LYS 109 OK 61 97 - 63 - 1.8/4324=8, 4908/1.8=7...(27) HB2 TYR 102 + HB2 LYS 109 OK 58 92 - 63 - 3.0/4891=8, 4908/1.8=6...(28) HB3 TYR 102 - HB2 LYS 109 OK 38 63 - 61 - 3.0/4891=8, ~4901=5...(27) Peak 4899 from cnoeabs.peaks (3.02, 1.94, 32.56 ppm; 4.28 A): 4 out of 5 assignments used, quality = 1.00: * HE3 LYS 109 + HB2 LYS 109 OK 97 100 - 97 - 4.7=76, 4965/2.9=12...(30) HE2 LYS 109 + HB2 LYS 109 OK 97 100 - 97 - 4.7=76, 4965/2.9=12...(30) HD2 ARG 85 + HB2 LYS 109 OK 61 97 - 63 - 1.8/4324=8, 4908/1.8=7...(27) HB2 TYR 102 + HB2 LYS 109 OK 58 92 - 63 - 3.0/4891=8, 4908/1.8=6...(28) HB3 TYR 102 - HB2 LYS 109 OK 38 63 - 61 - 3.0/4891=8, ~4901=5...(27) Peak 4900 from cnoeabs.peaks (7.48, 1.86, 32.56 ppm; 3.55 A): 3 out of 3 assignments used, quality = 0.95: * H LYS 109 + HB3 LYS 109 OK 89 100 - 89 - 4.0=68, 4890/1.8=22...(15) H GLY 104 + HB3 LYS 109 OK 34 100 - 34 - 4890/1.8=8, 4920/2.9=6...(10) H ALA 43 + HB3 LYS 109 OK 27 85 - 31 - 4890/1.8=6, 4880/2.9=5...(13) Peak 4901 from cnoeabs.peaks (4.05, 1.86, 32.56 ppm; 3.57 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 109 + HB3 LYS 109 OK 100 100 - 100 - 2.9=100 HA TYR 102 + HB3 LYS 109 OK 48 99 - 48 - 4891/1.8=8, 4921/2.9=6...(22) HA SER 112 - HB3 LYS 109 OK 26 99 - 27 - 4891/1.8=4, ~6205=4...(10) HD3 PRO 37 - HB3 LYS 109 OK 23 98 - 23 - 4891/1.8=4, 4921/2.9=3...(9) HA LEU 55 - HB3 LYS 109 OK 21 100 - 21 - 4891/1.8=3, 3223=2...(6) HA SER 44 - HB3 LYS 109 OK 11 92 - 12 - 4891/1.8=2, 4921/2.9=1...(4) HA GLN 16 - HB3 LYS 109 lone 6 83 - 7 - Peak 4902 from cnoeabs.peaks (1.94, 1.86, 32.56 ppm; 2.61 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LYS 109 + HB3 LYS 109 OK 100 100 - 100 - 1.8=100 HG LEU 58 - HB3 LYS 109 OK 36 100 - 37 - 3370=4, 2.1/3384=3...(20) HB3 ARG 85 - HB3 LYS 109 OK 22 97 - 23 - 3.0/4904=2, 4922/2.9=2...(7) HB2 ARG 85 - HB3 LYS 109 OK 22 97 - 23 - 3.0/4904=2, 4922/2.9=2...(7) HB3 LYS 119 - HB3 LYS 109 OK 20 99 - 20 - 5212=2, ~4893=2...(5) HB3 PRO 30 - HB3 LYS 109 OK 13 97 - 13 - 5212=1 HB ILE 80 - HB3 LYS 109 lone 3 92 - 4 - HB2 GLU 38 - HB3 LYS 109 lone 3 100 - 3 - HB3 GLU 64 - HB3 LYS 109 lone 3 100 - 3 - HB2 GLU 64 - HB3 LYS 109 lone 3 100 - 3 - HB2 LEU 21 - HB3 LYS 109 lone 2 97 - 2 - HB ILE 22 - HB3 LYS 109 lone 2 63 - 4 - HB3 GLU 69 - HB3 LYS 109 lone 2 99 - 2 - HB3 GLU 94 - HB3 LYS 109 lone 1 90 - 1 - HB3 MET 11 - HB3 LYS 109 lone 1 81 - 1 - HB3 GLU 73 - HB3 LYS 109 lone 1 68 - 1 - HB2 ARG 81 - HB3 LYS 109 lone 1 60 - 1 - Peak 4903 from cnoeabs.peaks (1.86, 1.86, 32.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 109 + HB3 LYS 109 OK 100 100 - 100 Peak 4904 from cnoeabs.peaks (1.48, 1.86, 32.56 ppm; 3.64 A): 3 out of 14 assignments used, quality = 1.00: * HG2 LYS 109 + HB3 LYS 109 OK 100 100 - 100 - 2.9=100 HB3 LEU 58 + HB3 LYS 109 OK 67 99 - 68 - 3363=7, 4894/1.8=7...(33) HG2 ARG 85 + HB3 LYS 109 OK 54 87 - 62 - 4894/1.8=6, 4924/2.9=5...(33) HD2 LYS 46 - HB3 LYS 109 OK 42 78 - 54 - 1.8/4905=8, ~4895=5...(29) HG2 LYS 119 - HB3 LYS 109 OK 27 83 - 33 - 2.9/4902=3, 4894/1.8=3...(16) HG3 LYS 31 - HB3 LYS 109 OK 20 89 - 23 - 4894/1.8=2, 1.8/2428=2...(8) QB ALA 14 - HB3 LYS 109 poor 9 92 - 10 - 6308/1.8=2, 1326/4.0=2...(4) HB2 LEU 93 - HB3 LYS 109 lone 7 92 - 8 - HG LEU 93 - HB3 LYS 109 lone 7 96 - 8 - HG LEU 91 - HB3 LYS 109 lone 6 98 - 6 - HG3 ARG 57 - HB3 LYS 109 lone 5 95 - 6 - HB3 LEU 114 - HB3 LYS 109 lone 4 83 - 5 - HG3 ARG 92 - HB3 LYS 109 lone 4 63 - 6 - HB2 LEU 24 - HB3 LYS 109 lone 4 68 - 5 - Peak 4905 from cnoeabs.peaks (1.55, 1.86, 32.56 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 109 + HB3 LYS 109 OK 100 100 - 100 - 2.9=100 HD3 LYS 46 + HB3 LYS 109 OK 47 81 - 59 - 4895/1.8=8, 4885/2.9=6...(33) HB3 LYS 65 - HB3 LYS 109 OK 29 100 - 29 - 4895/1.8=5, 4885/2.9=4...(11) HB2 LYS 65 - HB3 LYS 109 OK 29 100 - 29 - 4895/1.8=5, 4885/2.9=4...(11) HG12 ILE 124 - HB3 LYS 109 OK 14 100 - 14 - 4895/1.8=2, 4885/2.9=1...(5) Peak 4906 from cnoeabs.peaks (1.76, 1.86, 32.56 ppm; 3.69 A): 3 out of 16 assignments used, quality = 1.00: * HD2 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 3.9=86, 4945/2.9=11...(38) HD3 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 3.9=86, 4945/2.9=11...(38) HB3 LYS 46 + HB3 LYS 109 OK 46 97 - 48 - 3.5/4905=5, 4896/1.8=5...(24) HG3 PRO 30 - HB3 LYS 109 OK 20 100 - 20 - 4897/1.8=3, 2.3/4902=2...(9) HG LEU 117 - HB3 LYS 109 OK 14 100 - 14 - 7996/4.6=3, 4897/1.8=2 HB2 PRO 37 - HB3 LYS 109 OK 14 73 - 20 - 3.0/4901=3, ~4891=2...(9) HB2 LEU 117 - HB3 LYS 109 OK 14 97 - 15 - 7994/4.6=3, 4897/1.8=2 HG2 GLN 42 - HB3 LYS 109 OK 13 100 - 13 - 5570/4.0=3, 3.5/5869=2...(5) HB2 LYS 32 - HB3 LYS 109 lone 7 73 - 10 - 4.7/7840=1, 4.7/7840=1 HG3 ARG 71 - HB3 LYS 109 lone 7 99 - 6 - HG2 ARG 71 - HB3 LYS 109 lone 5 85 - 6 - HB2 LEU 45 - HB3 LYS 109 lone 5 98 - 5 - HB2 GLU 75 - HB3 LYS 109 lone 4 95 - 4 - HB2 ARG 53 - HB3 LYS 109 lone 4 81 - 4 - HB VAL 66 - HB3 LYS 109 lone 3 92 - 4 - HB2 LEU 91 - HB3 LYS 109 lone 3 63 - 5 - Peak 4907 from cnoeabs.peaks (1.77, 1.86, 32.56 ppm; 3.69 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 3.9=86, 4945/2.9=11...(38) HD2 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 3.9=86, 4945/2.9=11...(38) HB3 LYS 46 - HB3 LYS 109 OK 45 93 - 48 - 3.5/4905=5, 4896/1.8=5...(24) HG3 PRO 30 - HB3 LYS 109 OK 20 100 - 20 - 4897/1.8=3, 2.3/4902=2...(9) HB2 PRO 37 - HB3 LYS 109 OK 16 81 - 20 - 3.0/4901=3, ~4891=2...(9) HB2 LEU 117 - HB3 LYS 109 OK 15 99 - 15 - 7994/4.6=3, 4897/1.8=2 HG LEU 117 - HB3 LYS 109 OK 14 100 - 14 - 7996/4.6=3, 4897/1.8=2 HG2 GLN 42 - HB3 LYS 109 OK 13 99 - 13 - 5570/4.0=3, 3.5/5869=2...(5) HB2 LYS 32 - HB3 LYS 109 lone 8 81 - 10 - 4.7/7840=1, 4.7/7840=1 HG3 ARG 71 - HB3 LYS 109 lone 6 98 - 6 - HB2 LEU 45 - HB3 LYS 109 lone 5 96 - 5 - HG2 ARG 71 - HB3 LYS 109 lone 5 78 - 6 - HB2 GLU 75 - HB3 LYS 109 lone 4 97 - 4 - HB2 ARG 53 - HB3 LYS 109 lone 3 73 - 4 - HB VAL 66 - HB3 LYS 109 lone 3 87 - 3 - HB3 GLU 56 - HB3 LYS 109 lone 2 65 - 2 - Peak 4908 from cnoeabs.peaks (3.02, 1.86, 32.56 ppm; 4.25 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 4.7=75, 4965/2.9=12...(34) * HE2 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 4.7=75, 4965/2.9=12...(34) HD2 ARG 85 + HB3 LYS 109 OK 65 97 - 67 - 4899/1.8=7, 4928/2.9=6...(31) HB2 TYR 102 + HB3 LYS 109 OK 56 92 - 61 - 3.0/4901=7, 4898/1.8=6...(27) HB3 TYR 102 - HB3 LYS 109 OK 37 63 - 59 - 3.0/4901=7, ~4891=5...(26) Peak 4909 from cnoeabs.peaks (3.02, 1.86, 32.56 ppm; 4.25 A): 4 out of 5 assignments used, quality = 1.00: * HE3 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 4.7=75, 4965/2.9=12...(34) HE2 LYS 109 + HB3 LYS 109 OK 97 100 - 97 - 4.7=75, 4965/2.9=12...(34) HD2 ARG 85 + HB3 LYS 109 OK 65 97 - 67 - 4899/1.8=7, 4928/2.9=6...(31) HB2 TYR 102 + HB3 LYS 109 OK 56 92 - 61 - 3.0/4901=7, 4898/1.8=6...(27) HB3 TYR 102 - HB3 LYS 109 OK 37 63 - 59 - 3.0/4901=7, ~4891=5...(26) Peak 4910 from cnoeabs.peaks (7.48, 1.48, 24.99 ppm; 3.88 A): 3 out of 9 assignments used, quality = 0.95: * H LYS 109 + HG2 LYS 109 OK 88 100 - 88 - 4.7=56, 1327/1.8=22...(14) H GLY 104 + HG2 LYS 109 OK 38 100 - 38 - 4920/1.8=9, 4900/2.9=7...(10) H ALA 43 + HG2 LYS 109 OK 28 85 - 33 - 4920/1.8=7, 4890/2.9=6...(11) H LYS 109 - HG2 ARG 85 OK 15 47 - 33 - 1326=5, 4.0/4894=4...(11) H LYS 109 - HG3 LYS 31 poor 9 71 - 13 - 1326=2, 1325/2.9=2...(7) H ALA 43 - HG2 ARG 85 lone 3 34 - 9 - 178/1.8=2, 958/4.1=1, 1596/5.0=1 H GLY 104 - HG3 LYS 31 lone 3 71 - 4 - 7780/4.7=1 H ALA 43 - HG3 LYS 31 lone 2 53 - 3 - H GLY 104 - HG2 ARG 85 lone 2 47 - 3 - Peak 4911 from cnoeabs.peaks (4.05, 1.48, 24.99 ppm; 3.69 A): 2 out of 21 assignments used, quality = 1.00: * HA LYS 109 + HG2 LYS 109 OK 99 100 - 99 - 3.7=97, 3.0/4910=12...(24) HA TYR 102 + HG2 LYS 109 OK 48 99 - 48 - 4921/1.8=8, 4891/2.9=6...(17) HA LEU 55 - HG3 LYS 31 OK 24 70 - 35 - 3222/2.9=5, 3223/2.9=4...(14) HA LYS 109 - HG2 ARG 85 OK 23 47 - 49 - 4884=6, 2.9/4894=4...(26) HD3 PRO 37 - HG2 LYS 109 OK 22 98 - 22 - 4921/1.8=3, 4891/2.9=3...(6) HA LEU 55 - HG2 LYS 109 OK 18 100 - 18 - 4921/1.8=3, 7012=3...(5) HA SER 112 - HG2 LYS 109 OK 14 99 - 15 - 4891/2.9=3, 4901/2.9=3...(4) HA LYS 109 - HG3 LYS 31 OK 12 71 - 16 - 4884=2, 3.6/554=2...(8) HA SER 44 - HG2 LYS 109 OK 11 92 - 12 - 4921/1.8=2, 4891/2.9=1 HA TYR 102 - HG3 LYS 31 poor 7 69 - 11 - ~2425=1 HA GLN 16 - HG2 LYS 109 lone 5 83 - 5 - HA TYR 102 - HG2 ARG 85 lone 4 45 - 8 - 4688/3.0=2 HA SER 112 - HG3 LYS 31 lone 3 69 - 5 - HD3 PRO 37 - HG3 LYS 31 lone 2 67 - 3 - HA SER 44 - HG3 LYS 31 lone 2 60 - 3 - HA LEU 55 - HG2 ARG 85 lone 1 46 - 3 - HA SER 112 - HG2 ARG 85 lone 1 45 - 3 - HA SER 44 - HG2 ARG 85 lone 1 39 - 3 - HD3 PRO 37 - HG2 ARG 85 lone 1 44 - 2 - HA GLN 16 - HG2 ARG 85 lone 1 33 - 2 - HA GLN 16 - HG3 LYS 31 lone 1 52 - 1 - Peak 4912 from cnoeabs.peaks (1.94, 1.48, 24.99 ppm; 3.35 A): 2 out of 51 assignments used, quality = 1.00: * HB2 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 2.9=100 HG LEU 58 + HG2 LYS 109 OK 47 100 - 48 - 4902/2.9=5, 4922/1.8=5...(24) HB2 ARG 85 - HG2 LYS 109 OK 44 97 - 45 - 3.0/4310=4, 4922/1.8=4...(26) HB3 ARG 85 - HG2 LYS 109 OK 44 97 - 45 - 3.0/4310=4, 4922/1.8=4...(26) HB2 ARG 85 - HG2 ARG 85 OK 43 43 - 100 - 3.0=100 HB3 ARG 85 - HG2 ARG 85 OK 43 43 - 100 - 3.0=100 HB3 LYS 119 - HG2 LYS 109 OK 30 99 - 30 - 4922/1.8=3, 4902/2.9=3...(12) HB3 LYS 119 - HG3 LYS 31 OK 26 69 - 38 - 1.8/5204=4, ~2428=3...(19) HB2 LYS 109 - HG2 ARG 85 OK 25 47 - 54 - 4894=6, 1.8/4904=5...(31) HB3 PRO 30 - HG2 LYS 109 OK 21 97 - 21 - 4922/1.8=2, 4902/2.9=2...(4) HG LEU 58 - HG3 LYS 31 OK 18 70 - 27 - 3370/2.9=2, ~7062=2...(13) HB2 LYS 109 - HG3 LYS 31 OK 14 71 - 20 - 4894=2, 1.8/4904=2...(6) HB3 PRO 30 - HG3 LYS 31 OK 12 66 - 18 - 3.9/896=4, 5.0/2400=4, 5214=1 HG LEU 58 - HG2 ARG 85 poor 7 46 - 15 - 3371=1, 2.1/3385=1, 3.0/3357=1 HB2 GLU 38 - HG2 ARG 85 poor 5 46 - 12 - ~6007=2, 4308/1.8=1 HB2 GLU 38 - HG2 LYS 109 lone 5 100 - 5 - HB ILE 80 - HG2 LYS 109 lone 5 92 - 5 - HB3 GLU 64 - HG2 LYS 109 lone 4 100 - 4 - HB2 GLU 64 - HG2 LYS 109 lone 4 100 - 4 - HB2 LEU 21 - HG2 LYS 109 lone 4 97 - 4 - HB3 GLU 94 - HG2 ARG 85 lone 3 38 - 9 - 4.0/462=1 HB ILE 22 - HG2 LYS 109 lone 3 63 - 4 - HB2 GLU 38 - HG3 LYS 31 lone 3 70 - 4 - HB3 GLU 69 - HG2 LYS 109 lone 2 99 - 2 - HB3 PRO 30 - HG2 ARG 85 lone 2 43 - 5 - HB2 LEU 21 - HG2 ARG 85 lone 2 42 - 5 - HB3 GLU 94 - HG2 LYS 109 lone 2 90 - 2 - HB2 GLU 64 - HG2 ARG 85 lone 2 47 - 4 - HB3 GLU 64 - HG2 ARG 85 lone 2 47 - 4 - HB3 LYS 119 - HG2 ARG 85 lone 2 45 - 4 - HB3 ARG 85 - HG3 LYS 31 lone 2 66 - 3 - HB2 ARG 85 - HG3 LYS 31 lone 2 66 - 3 - HB3 GLU 73 - HG2 LYS 109 lone 2 68 - 3 - HB3 MET 11 - HG2 LYS 109 lone 2 81 - 2 - HB ILE 80 - HG3 LYS 31 lone 1 60 - 2 - HB3 GLU 94 - HG3 LYS 31 lone 1 58 - 2 - HB ILE 22 - HG3 LYS 31 lone 1 37 - 2 - HB ILE 80 - HG2 ARG 85 lone 1 39 - 2 - HB2 LEU 21 - HG3 LYS 31 lone 1 65 - 1 - HB3 GLU 69 - HG3 LYS 31 lone 1 69 - 1 - HB2 ARG 81 - HG2 LYS 109 lone 1 60 - 1 - HB2 GLU 64 - HG3 LYS 31 lone 1 71 - 1 - HB3 GLU 64 - HG3 LYS 31 lone 1 71 - 1 - HB ILE 22 - HG2 ARG 85 lone 1 23 - 3 - 5479/5.0=2 HB3 GLU 69 - HG2 ARG 85 lone 1 45 - 2 - HB2 ARG 81 - HG3 LYS 31 lone 0 35 - 1 - HB3 MET 11 - HG3 LYS 31 lone 0 50 - 1 - HB3 GLU 73 - HG3 LYS 31 lone 0 41 - 1 - HB2 ARG 81 - HG2 ARG 85 lone 0 22 - 1 - HB3 MET 11 - HG2 ARG 85 lone 0 32 - 1 - HB3 GLU 73 - HG2 ARG 85 lone 0 26 - 1 - Peak 4913 from cnoeabs.peaks (1.86, 1.48, 24.99 ppm; 3.37 A): 3 out of 39 assignments used, quality = 1.00: * HB3 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 2.9=100 HB2 LEU 58 + HG2 LYS 109 OK 55 99 - 56 - 4923/1.8=7, 4893/2.9=6...(30) HB3 LYS 31 + HG3 LYS 31 OK 53 53 - 100 - 2.9=100 HB2 LYS 119 - HG2 LYS 109 OK 27 85 - 32 - 4923/1.8=4, 4893/2.9=3...(11) HB3 LYS 109 - HG2 ARG 85 OK 27 47 - 57 - 4904=6, 1.8/4894=5...(32) HB2 LEU 58 - HG3 LYS 31 OK 22 69 - 32 - 3357=3, 8304/1.8=3...(14) HB2 LYS 119 - HG3 LYS 31 OK 21 53 - 39 - 5204=5, 2428/1.8=4...(16) HB3 LYS 31 - HG2 LYS 109 OK 18 85 - 22 - 4923/1.8=2, 2420=2...(7) HG LEU 55 - HG3 LYS 31 OK 16 55 - 30 - 3243/2.9=3, 2428/1.8=3...(15) HB3 LYS 109 - HG3 LYS 31 OK 14 71 - 20 - 4904=2, 1.8/4894=2...(5) HG3 PRO 68 - HG2 LYS 109 lone 8 100 - 8 - 4923/1.8=1, 4893/2.9=1 HB2 LEU 58 - HG2 ARG 85 poor 8 45 - 18 - 3357=2, ~4310=1 HG LEU 55 - HG2 LYS 109 lone 8 87 - 9 - 4.3/7012=1, 4923/1.8=1 HB3 GLU 28 - HG3 LYS 31 lone 6 70 - 9 - 2316/4.7=1, 2318/2.9=1 HB2 ARG 92 - HG2 LYS 109 lone 6 97 - 6 - HG12 ILE 22 - HG2 LYS 109 lone 5 89 - 5 - HG LEU 84 - HG3 LYS 31 lone 4 48 - 8 - 4253/4.7=1 HB3 GLU 28 - HG2 LYS 109 lone 3 100 - 3 - HB2 ARG 92 - HG3 LYS 31 lone 3 66 - 4 - HB2 ARG 92 - HG2 ARG 85 lone 3 43 - 7 - HB VAL 50 - HG2 LYS 109 lone 3 85 - 3 - HG LEU 84 - HG2 LYS 109 lone 3 78 - 3 - HB VAL 50 - HG3 LYS 31 lone 2 53 - 4 - HG3 PRO 68 - HG3 LYS 31 lone 2 70 - 3 - HG3 GLU 73 - HG2 LYS 109 lone 2 71 - 3 - HG2 GLU 73 - HG2 LYS 109 lone 2 68 - 3 - HG3 PRO 68 - HG2 ARG 85 lone 2 46 - 4 - HG12 ILE 22 - HG3 LYS 31 lone 2 57 - 3 - HB2 LYS 119 - HG2 ARG 85 lone 2 34 - 5 - HG LEU 84 - HG2 ARG 85 lone 1 31 - 4 - 5766/5.0=2 HB3 LYS 31 - HG2 ARG 85 lone 1 34 - 3 - HG LEU 55 - HG2 ARG 85 lone 1 35 - 2 - HB3 GLU 28 - HG2 ARG 85 lone 1 46 - 1 - HG12 ILE 22 - HG2 ARG 85 lone 0 37 - 1 - HB VAL 50 - HG2 ARG 85 lone 0 34 - 1 - HG3 GLU 73 - HG3 LYS 31 lone 0 43 - 1 - HG2 GLU 73 - HG3 LYS 31 lone 0 41 - 1 - HG3 GLU 73 - HG2 ARG 85 lone 0 27 - 1 - HG2 GLU 73 - HG2 ARG 85 lone 0 26 - 1 - Peak 4914 from cnoeabs.peaks (1.48, 1.48, 24.99 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 109 + HG2 LYS 109 OK 100 100 - 100 HG3 LYS 31 + HG3 LYS 31 OK 57 57 - 100 HG2 ARG 85 - HG2 ARG 85 OK 35 35 - 100 Peak 4915 from cnoeabs.peaks (1.55, 1.48, 24.99 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HG3 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 1.8=100 HD3 LYS 46 - HG2 LYS 109 OK 22 81 - 27 - 4895/2.9=2, 4905/2.9=2...(9) HG3 LYS 109 - HG2 ARG 85 OK 15 47 - 33 - 4924=7, ~4310=2...(11) HB2 LYS 65 - HG2 LYS 109 OK 10 100 - 10 - 4895/2.9=2, 4905/2.9=1 HB3 LYS 65 - HG2 LYS 109 OK 10 100 - 10 - 4895/2.9=2, 4905/2.9=1 HG3 LYS 109 - HG3 LYS 31 lone 7 71 - 10 - 4924=2 HG12 ILE 124 - HG2 LYS 109 lone 5 100 - 5 - HD3 LYS 46 - HG3 LYS 31 lone 2 50 - 3 - HG12 ILE 124 - HG3 LYS 31 lone 1 70 - 1 - HB2 LYS 65 - HG2 ARG 85 lone 0 46 - 1 - HB3 LYS 65 - HG2 ARG 85 lone 0 46 - 1 - HB2 LYS 65 - HG3 LYS 31 lone 0 70 - 0 - HB3 LYS 65 - HG3 LYS 31 lone 0 70 - 0 - HD3 LYS 46 - HG2 ARG 85 lone 0 32 - 1 - HG12 ILE 124 - HG2 ARG 85 lone 0 47 - 0 - Peak 4916 from cnoeabs.peaks (1.76, 1.48, 24.99 ppm; 3.09 A): 2 out of 48 assignments used, quality = 1.00: * HD2 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.0=100 HD3 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.0=100 HB3 LYS 46 - HG2 LYS 109 OK 34 97 - 35 - 4926/1.8=4, 3.5/4915=3...(15) HD2 LYS 109 - HG2 ARG 85 OK 21 47 - 45 - 3.0/4924=4, 4944=4...(20) HD3 LYS 109 - HG2 ARG 85 OK 21 47 - 45 - 3.0/4924=4, 4944=4...(20) HG3 PRO 30 - HG2 LYS 109 OK 14 100 - 14 - 4927/1.8=2, 4897/2.9=1...(4) HG2 GLN 42 - HG2 LYS 109 lone 10 100 - 10 - 3.5/6794=1, 5570/4.7=1...(4) HB2 PRO 37 - HG2 LYS 109 poor 9 73 - 13 - 3.0/4911=1, 4927/1.8=1, ~4921=1 HG3 ARG 71 - HG3 LYS 31 poor 9 69 - 13 - 115/4.7=2, ~2427=1...(4) HD2 LYS 109 - HG3 LYS 31 poor 9 71 - 12 - 3.0/4924=1, 4944=1 HD3 LYS 109 - HG3 LYS 31 poor 8 70 - 12 - 3.0/4924=1, 4944=1 HB2 LEU 117 - HG2 LYS 109 lone 8 97 - 8 - HG LEU 117 - HG2 LYS 109 lone 8 100 - 8 - HG2 ARG 71 - HG3 LYS 31 poor 7 53 - 13 - ~2409=1, 115/4.7=1...(4) HG3 PRO 30 - HG3 LYS 31 lone 6 71 - 9 - 115/4.7=2 HB2 LYS 32 - HG3 LYS 31 poor 6 45 - 13 - 4.0/123=2, 115/4.7=1 HB2 LEU 45 - HG2 LYS 109 lone 4 98 - 4 - HG3 ARG 71 - HG2 LYS 109 lone 4 99 - 4 - HB3 LYS 46 - HG3 LYS 31 lone 4 65 - 6 - HB2 LEU 45 - HG3 LYS 31 lone 4 67 - 5 - HB2 ARG 53 - HG3 LYS 31 lone 4 50 - 7 - HB2 LEU 91 - HG3 LYS 31 lone 4 37 - 9 - HB2 LYS 32 - HG2 LYS 109 lone 4 73 - 5 - HG2 ARG 71 - HG2 LYS 109 lone 3 85 - 4 - HB2 GLU 75 - HG3 LYS 31 lone 3 62 - 5 - 115/4.7=1 HB2 LEU 91 - HG2 LYS 109 lone 3 63 - 4 - HB2 GLU 75 - HG2 LYS 109 lone 2 95 - 3 - HG2 GLN 42 - HG3 LYS 31 lone 2 70 - 3 - HB VAL 66 - HG2 LYS 109 lone 2 92 - 2 - HG3 PRO 30 - HG2 ARG 85 lone 2 47 - 4 - HB2 ARG 53 - HG2 LYS 109 lone 2 81 - 2 - HG LEU 117 - HG3 LYS 31 lone 2 71 - 2 - HB2 LEU 117 - HG3 LYS 31 lone 2 65 - 3 - HG2 GLN 42 - HG2 ARG 85 lone 2 47 - 3 - HB2 PRO 37 - HG3 LYS 31 lone 1 45 - 3 - HB2 LEU 91 - HG2 ARG 85 lone 1 23 - 5 - HB2 LEU 45 - HG2 ARG 85 lone 1 44 - 2 - HB3 LYS 46 - HG2 ARG 85 lone 1 42 - 2 - HB VAL 66 - HG3 LYS 31 lone 1 60 - 1 - HB2 ARG 53 - HG2 ARG 85 lone 1 32 - 2 - 3129/5.0=1 HG LEU 117 - HG2 ARG 85 lone 1 47 - 1 - HB2 PRO 37 - HG2 ARG 85 lone 1 28 - 2 - HB2 LYS 32 - HG2 ARG 85 lone 1 28 - 2 - HB2 LEU 117 - HG2 ARG 85 lone 1 42 - 1 - HG3 ARG 71 - HG2 ARG 85 lone 0 45 - 1 - HB VAL 66 - HG2 ARG 85 lone 0 39 - 1 - HG2 ARG 71 - HG2 ARG 85 lone 0 34 - 1 - HB2 GLU 75 - HG2 ARG 85 lone 0 41 - 0 - Peak 4917 from cnoeabs.peaks (1.77, 1.48, 24.99 ppm; 3.09 A): 2 out of 48 assignments used, quality = 1.00: * HD3 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.0=100 HD2 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.0=100 HB3 LYS 46 - HG2 LYS 109 OK 33 93 - 35 - 4926/1.8=4, 3.5/4915=3...(15) HD3 LYS 109 - HG2 ARG 85 OK 21 47 - 45 - 3.0/4924=4, 4944=4...(20) HD2 LYS 109 - HG2 ARG 85 OK 21 47 - 45 - 3.0/4924=4, 4944=4...(20) HG3 PRO 30 - HG2 LYS 109 OK 14 100 - 14 - 4927/1.8=2, 4897/2.9=1...(4) HB2 PRO 37 - HG2 LYS 109 OK 10 81 - 13 - 3.0/4911=1, 4927/1.8=1, ~4921=1 HG2 GLN 42 - HG2 LYS 109 lone 10 99 - 10 - 3.5/6794=1, 5570/4.7=1...(4) HG3 ARG 71 - HG3 LYS 31 poor 9 67 - 13 - 115/4.7=2, ~2427=1...(4) HD3 LYS 109 - HG3 LYS 31 poor 9 71 - 12 - 3.0/4924=1, 4944=1 HD2 LYS 109 - HG3 LYS 31 poor 8 70 - 12 - 3.0/4924=1, 4944=1 HB2 LEU 117 - HG2 LYS 109 lone 8 99 - 8 - HG LEU 117 - HG2 LYS 109 lone 8 100 - 8 - HB2 LYS 32 - HG3 LYS 31 poor 6 50 - 13 - 4.0/123=2, 115/4.7=1 HG3 PRO 30 - HG3 LYS 31 lone 6 71 - 9 - 115/4.7=2 HG2 ARG 71 - HG3 LYS 31 poor 6 48 - 12 - ~2409=1, 115/4.7=1...(4) HB2 LEU 45 - HG2 LYS 109 lone 4 96 - 4 - HG3 ARG 71 - HG2 LYS 109 lone 4 98 - 4 - HB2 LYS 32 - HG2 LYS 109 lone 4 81 - 5 - HB3 LYS 46 - HG3 LYS 31 lone 4 61 - 6 - HB2 GLU 75 - HG3 LYS 31 lone 4 66 - 5 - 115/4.7=1 HB2 LEU 45 - HG3 LYS 31 lone 3 64 - 5 - HG2 ARG 71 - HG2 LYS 109 lone 3 78 - 4 - HB2 ARG 53 - HG3 LYS 31 lone 3 45 - 7 - HB2 GLU 75 - HG2 LYS 109 lone 2 97 - 3 - HG2 GLN 42 - HG3 LYS 31 lone 2 69 - 3 - HB VAL 66 - HG2 LYS 109 lone 2 87 - 2 - HG3 PRO 30 - HG2 ARG 85 lone 2 47 - 4 - HG LEU 117 - HG3 LYS 31 lone 2 70 - 2 - HB2 LEU 117 - HG3 LYS 31 lone 2 68 - 3 - HB2 ARG 53 - HG2 LYS 109 lone 2 73 - 2 - HG2 GLN 42 - HG2 ARG 85 lone 1 45 - 3 - HB2 PRO 37 - HG3 LYS 31 lone 1 50 - 3 - HB3 GLU 56 - HG2 LYS 109 lone 1 65 - 1 - HB2 LEU 45 - HG2 ARG 85 lone 1 41 - 2 - HB3 LYS 46 - HG2 ARG 85 lone 1 40 - 2 - HB VAL 66 - HG3 LYS 31 lone 1 55 - 1 - HB2 PRO 37 - HG2 ARG 85 lone 1 32 - 2 - HB2 LYS 32 - HG2 ARG 85 lone 1 32 - 2 - HG LEU 117 - HG2 ARG 85 lone 1 47 - 1 - HB2 LEU 117 - HG2 ARG 85 lone 1 44 - 1 - HB2 ARG 53 - HG2 ARG 85 lone 0 28 - 2 - 3129/5.0=1 HB3 GLU 56 - HG3 LYS 31 lone 0 39 - 1 - HG3 ARG 71 - HG2 ARG 85 lone 0 44 - 1 - HB VAL 66 - HG2 ARG 85 lone 0 35 - 1 - HG2 ARG 71 - HG2 ARG 85 lone 0 31 - 1 - HB2 GLU 75 - HG2 ARG 85 lone 0 43 - 0 - HB3 GLU 56 - HG2 ARG 85 lone 0 25 - 0 - Peak 4918 from cnoeabs.peaks (3.02, 1.48, 24.99 ppm; 3.62 A): 3 out of 15 assignments used, quality = 1.00: HE3 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.5=100 * HE2 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.5=100 HD2 ARG 85 + HG2 LYS 109 OK 51 97 - 53 - 1.8/4326=7, 4929/1.8=6...(25) HB2 TYR 102 - HG2 LYS 109 OK 45 92 - 49 - 4929/1.8=5, 3.0/4911=4...(24) HD2 ARG 85 - HG2 ARG 85 OK 43 43 - 100 - 3.0=100 HB3 TYR 102 - HG2 LYS 109 OK 29 63 - 47 - 3.0/4911=4, ~4825=4...(28) HE2 LYS 109 - HG2 ARG 85 OK 26 47 - 55 - 4312/1.8=7, 4328/3.0=7...(22) HE3 LYS 109 - HG2 ARG 85 OK 26 47 - 55 - 4312/1.8=7, 4328/3.0=7...(22) HE3 LYS 109 - HG3 LYS 31 lone 7 71 - 9 - 3.5/4924=1 HE2 LYS 109 - HG3 LYS 31 lone 7 71 - 9 - 3.5/4924=1 HB2 TYR 102 - HG2 ARG 85 poor 4 39 - 10 - 4312/1.8=1, 4328/3.0=1 HB2 TYR 102 - HG3 LYS 31 lone 4 60 - 6 - HD2 ARG 85 - HG3 LYS 31 lone 2 66 - 3 - HB3 TYR 102 - HG2 ARG 85 lone 2 23 - 7 - ~4312=1 HB3 TYR 102 - HG3 LYS 31 lone 1 37 - 3 - Peak 4919 from cnoeabs.peaks (3.02, 1.48, 24.99 ppm; 3.62 A): 3 out of 15 assignments used, quality = 1.00: * HE3 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.5=100 HE2 LYS 109 + HG2 LYS 109 OK 100 100 - 100 - 3.5=100 HD2 ARG 85 + HG2 LYS 109 OK 51 97 - 53 - 1.8/4326=7, 4929/1.8=6...(25) HB2 TYR 102 - HG2 LYS 109 OK 45 92 - 49 - 4929/1.8=5, 3.0/4911=4...(24) HD2 ARG 85 - HG2 ARG 85 OK 43 43 - 100 - 3.0=100 HB3 TYR 102 - HG2 LYS 109 OK 29 63 - 47 - 3.0/4911=4, ~4825=4...(28) HE2 LYS 109 - HG2 ARG 85 OK 26 47 - 55 - 4312/1.8=7, 4328/3.0=7...(22) HE3 LYS 109 - HG2 ARG 85 OK 26 47 - 55 - 4312/1.8=7, 4328/3.0=7...(22) HE3 LYS 109 - HG3 LYS 31 lone 7 71 - 9 - 3.5/4924=1 HE2 LYS 109 - HG3 LYS 31 lone 7 71 - 9 - 3.5/4924=1 HB2 TYR 102 - HG2 ARG 85 poor 4 39 - 10 - 4312/1.8=1, 4328/3.0=1 HB2 TYR 102 - HG3 LYS 31 lone 4 60 - 6 - HD2 ARG 85 - HG3 LYS 31 lone 2 66 - 3 - HB3 TYR 102 - HG2 ARG 85 lone 2 23 - 7 - ~4312=1 HB3 TYR 102 - HG3 LYS 31 lone 1 37 - 3 - Peak 4920 from cnoeabs.peaks (7.48, 1.55, 24.99 ppm; 3.84 A): 3 out of 3 assignments used, quality = 0.95: * H LYS 109 + HG3 LYS 109 OK 88 100 - 88 - 4.7=54, 4900/2.9=19...(18) H GLY 104 + HG3 LYS 109 OK 38 100 - 38 - 4910/1.8=8, 4900/2.9=7...(11) H ALA 43 + HG3 LYS 109 OK 28 85 - 33 - 4890/2.9=6, 4900/2.9=6...(11) Peak 4921 from cnoeabs.peaks (4.05, 1.55, 24.99 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.7=100 HA TYR 102 + HG3 LYS 109 OK 54 99 - 54 - 4891/2.9=6, 4901/2.9=6...(19) HD3 PRO 37 - HG3 LYS 109 OK 22 98 - 22 - 4891/2.9=3, 4901/2.9=3...(7) HA LEU 55 - HG3 LYS 109 OK 17 100 - 17 - 4901/2.9=3, 7012/1.8=3...(4) HA SER 112 - HG3 LYS 109 OK 15 99 - 15 - 4891/2.9=3, 4901/2.9=3...(4) HA SER 44 - HG3 LYS 109 OK 12 92 - 13 - 4891/2.9=2, 4901/2.9=1...(4) HA GLN 16 - HG3 LYS 109 lone 5 83 - 5 - Peak 4922 from cnoeabs.peaks (1.94, 1.55, 24.99 ppm; 3.64 A): 4 out of 17 assignments used, quality = 1.00: * HB2 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 2.9=100 HG LEU 58 + HG3 LYS 109 OK 51 100 - 51 - 3.0/4923=6, 4902/2.9=6...(25) HB3 ARG 85 + HG3 LYS 109 OK 46 97 - 48 - 3.0/4924=5, 4902/2.9=4...(28) HB2 ARG 85 + HG3 LYS 109 OK 46 97 - 48 - 3.0/4924=5, 4902/2.9=4...(28) HB3 LYS 119 - HG3 LYS 109 OK 33 99 - 34 - 1.8/4923=4, 4902/2.9=3...(14) HB3 PRO 30 - HG3 LYS 109 OK 22 97 - 22 - 4902/2.9=2, 2.3/4927=2...(7) HB ILE 80 - HG3 LYS 109 lone 5 92 - 6 - HB3 GLU 64 - HG3 LYS 109 lone 5 100 - 5 - HB2 GLU 64 - HG3 LYS 109 lone 5 100 - 5 - HB2 GLU 38 - HG3 LYS 109 lone 4 100 - 4 - HB2 LEU 21 - HG3 LYS 109 lone 4 97 - 4 - HB ILE 22 - HG3 LYS 109 lone 3 63 - 5 - HB3 GLU 69 - HG3 LYS 109 lone 3 99 - 2 - HB3 GLU 73 - HG3 LYS 109 lone 2 68 - 3 - HB3 MET 11 - HG3 LYS 109 lone 2 81 - 2 - HB3 GLU 94 - HG3 LYS 109 lone 2 90 - 2 - HB2 ARG 81 - HG3 LYS 109 lone 1 60 - 2 - Peak 4923 from cnoeabs.peaks (1.86, 1.55, 24.99 ppm; 3.74 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 2.9=100 HB2 LEU 58 + HG3 LYS 109 OK 59 99 - 60 - 4893/2.9=8, 1.8/4924=6...(29) HB2 LYS 119 - HG3 LYS 109 OK 31 85 - 37 - 4893/2.9=4, 1.8/4922=4...(15) HB3 LYS 31 - HG3 LYS 109 OK 20 85 - 23 - 2420/1.8=2, 4893/2.9=2...(5) HG3 PRO 68 - HG3 LYS 109 lone 10 100 - 10 - 4893/2.9=1, 4883/3.7=1 HG LEU 55 - HG3 LYS 109 poor 9 87 - 10 - 4.3/4921=2, 4883/3.7=1 HB2 ARG 92 - HG3 LYS 109 lone 6 97 - 6 - HG12 ILE 22 - HG3 LYS 109 lone 6 89 - 7 - HB3 GLU 28 - HG3 LYS 109 lone 4 100 - 4 - HB VAL 50 - HG3 LYS 109 lone 3 85 - 4 - HG3 GLU 73 - HG3 LYS 109 lone 3 71 - 4 - HG2 GLU 73 - HG3 LYS 109 lone 3 68 - 4 - HG LEU 84 - HG3 LYS 109 lone 3 78 - 4 - Peak 4924 from cnoeabs.peaks (1.48, 1.55, 24.99 ppm; 2.41 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 1.8=100 HG2 ARG 85 - HG3 LYS 109 OK 28 87 - 32 - 4915=4, ~4310=2...(14) HB3 LEU 58 - HG3 LYS 109 OK 26 99 - 26 - 1.8/4923=3, 4904/2.9=2...(9) HD2 LYS 46 - HG3 LYS 109 OK 20 78 - 26 - 2976=3, ~4915=2...(10) HG2 LYS 119 - HG3 LYS 109 OK 10 83 - 13 - 2.9/4923=1, 2.9/4922=1 HG3 LYS 31 - HG3 LYS 109 lone 9 89 - 10 - 4915=2 QB ALA 14 - HG3 LYS 109 lone 3 92 - 4 - HB2 LEU 93 - HG3 LYS 109 lone 2 92 - 3 - HG LEU 93 - HG3 LYS 109 lone 2 96 - 2 - HG LEU 91 - HG3 LYS 109 lone 2 98 - 2 - HG3 ARG 57 - HG3 LYS 109 lone 2 95 - 2 - HB3 LEU 114 - HG3 LYS 109 lone 1 83 - 2 - HG3 ARG 92 - HG3 LYS 109 lone 1 63 - 2 - HB2 LEU 24 - HG3 LYS 109 lone 1 68 - 2 - Peak 4925 from cnoeabs.peaks (1.55, 1.55, 24.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 109 + HG3 LYS 109 OK 100 100 - 100 Peak 4926 from cnoeabs.peaks (1.76, 1.55, 24.99 ppm; 3.12 A): 2 out of 16 assignments used, quality = 1.00: * HD2 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.0=100 HD3 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.0=100 HB3 LYS 46 - HG3 LYS 109 OK 36 97 - 38 - 4916/1.8=3, 4896/2.9=3...(18) HG3 PRO 30 - HG3 LYS 109 OK 16 100 - 16 - 2.3/4922=2, 4897/2.9=1...(4) HG2 GLN 42 - HG3 LYS 109 lone 10 100 - 10 - 5570/4.7=1, 3.5/5871=1 HB2 PRO 37 - HG3 LYS 109 poor 9 73 - 13 - 3.0/4921=2 HB2 LEU 117 - HG3 LYS 109 lone 8 97 - 9 - HG LEU 117 - HG3 LYS 109 lone 8 100 - 8 - HB2 LEU 45 - HG3 LYS 109 lone 5 98 - 5 - HB2 LYS 32 - HG3 LYS 109 lone 5 73 - 6 - HG3 ARG 71 - HG3 LYS 109 lone 4 99 - 4 - HG2 ARG 71 - HG3 LYS 109 lone 3 85 - 4 - HB2 GLU 75 - HG3 LYS 109 lone 3 95 - 3 - HB VAL 66 - HG3 LYS 109 lone 3 92 - 3 - HB2 LEU 91 - HG3 LYS 109 lone 2 63 - 4 - HB2 ARG 53 - HG3 LYS 109 lone 2 81 - 2 - Peak 4927 from cnoeabs.peaks (1.77, 1.55, 24.99 ppm; 3.12 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.0=100 HD2 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.0=100 HB3 LYS 46 - HG3 LYS 109 OK 35 93 - 38 - 4916/1.8=3, 4896/2.9=3...(18) HG3 PRO 30 - HG3 LYS 109 OK 16 100 - 16 - 2.3/4922=2, 4897/2.9=1...(4) HB2 PRO 37 - HG3 LYS 109 OK 10 81 - 13 - 3.0/4921=2 HG2 GLN 42 - HG3 LYS 109 lone 10 99 - 10 - 5570/4.7=1, 3.5/5871=1 HB2 LEU 117 - HG3 LYS 109 lone 9 99 - 9 - HG LEU 117 - HG3 LYS 109 lone 8 100 - 8 - HB2 LEU 45 - HG3 LYS 109 lone 5 96 - 5 - HB2 LYS 32 - HG3 LYS 109 lone 5 81 - 6 - HG3 ARG 71 - HG3 LYS 109 lone 4 98 - 4 - HG2 ARG 71 - HG3 LYS 109 lone 3 78 - 4 - HB2 GLU 75 - HG3 LYS 109 lone 3 97 - 3 - HB VAL 66 - HG3 LYS 109 lone 2 87 - 3 - HB2 ARG 53 - HG3 LYS 109 lone 2 73 - 2 - HB3 GLU 56 - HG3 LYS 109 lone 1 65 - 1 - Peak 4928 from cnoeabs.peaks (3.02, 1.55, 24.99 ppm; 3.69 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.5=100 * HE2 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.5=100 HD2 ARG 85 + HG3 LYS 109 OK 54 97 - 56 - ~4326=6, 3.0/4924=5...(26) HB2 TYR 102 + HG3 LYS 109 OK 48 92 - 52 - 3.0/4921=6, 2.5/4825=6...(26) HB3 TYR 102 - HG3 LYS 109 OK 31 63 - 50 - 3.0/4921=6, 2.5/4825=6...(29) Peak 4929 from cnoeabs.peaks (3.02, 1.55, 24.99 ppm; 3.69 A): 4 out of 5 assignments used, quality = 1.00: * HE3 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.5=100 HE2 LYS 109 + HG3 LYS 109 OK 100 100 - 100 - 3.5=100 HD2 ARG 85 + HG3 LYS 109 OK 54 97 - 56 - ~4326=6, 3.0/4924=5...(26) HB2 TYR 102 + HG3 LYS 109 OK 48 92 - 52 - 3.0/4921=6, 2.5/4825=6...(26) HB3 TYR 102 - HG3 LYS 109 OK 31 63 - 50 - 3.0/4921=6, 2.5/4825=6...(29) Peak 4931 from cnoeabs.peaks (4.05, 1.76, 28.93 ppm; 3.80 A): 4 out of 14 assignments used, quality = 1.00: * HA LYS 109 + HD2 LYS 109 OK 90 100 - 90 - 5.2=40, 4911/3.0=10...(36) HA LYS 109 + HD3 LYS 109 OK 90 100 - 90 - 5.2=40, 4911/3.0=10...(36) HA TYR 102 + HD2 LYS 109 OK 50 99 - 51 - 4921/3.0=7, 4688/3.0=7...(23) HA TYR 102 + HD3 LYS 109 OK 50 99 - 51 - 4921/3.0=7, 4688/3.0=7...(23) HD3 PRO 37 - HD2 LYS 109 OK 23 98 - 23 - 4921/3.0=3, 4891/3.9=2...(6) HD3 PRO 37 - HD3 LYS 109 OK 23 98 - 24 - 4921/3.0=3, 4891/3.9=2...(6) HA SER 44 - HD2 LYS 109 OK 14 92 - 15 - 2.9/6822=2, 4921/3.0=2...(9) HA LEU 55 - HD3 LYS 109 OK 14 100 - 14 - 4921/3.0=2, 7012/3.0=2...(4) HA SER 44 - HD3 LYS 109 OK 14 91 - 15 - 2.9/6822=2, 4921/3.0=2...(9) HA LEU 55 - HD2 LYS 109 OK 14 100 - 14 - 4921/3.0=2, 7012/3.0=2...(4) HA SER 112 - HD2 LYS 109 OK 12 99 - 13 - 4891/3.9=3, 4901/3.9=3...(5) HA SER 112 - HD3 LYS 109 OK 12 99 - 13 - 4891/3.9=3, 4901/3.9=3...(5) HA GLN 16 - HD2 LYS 109 lone 4 83 - 5 - HA GLN 16 - HD3 LYS 109 lone 4 82 - 5 - Peak 4932 from cnoeabs.peaks (1.94, 1.76, 28.93 ppm; 3.56 A): 2 out of 34 assignments used, quality = 1.00: * HB2 LYS 109 + HD2 LYS 109 OK 95 100 - 95 - 3.9=78, 2.9/4945=10...(34) HB2 LYS 109 + HD3 LYS 109 OK 95 100 - 95 - 3.9=78, 2.9/4945=10...(34) HB2 ARG 85 - HD2 LYS 109 OK 44 97 - 45 - 4922/3.0=4, 4902/3.9=3...(26) HB3 ARG 85 - HD2 LYS 109 OK 44 97 - 45 - 4922/3.0=4, 4902/3.9=3...(26) HB2 ARG 85 - HD3 LYS 109 OK 44 97 - 45 - 4922/3.0=4, 4902/3.9=3...(26) HB3 ARG 85 - HD3 LYS 109 OK 44 97 - 45 - 4922/3.0=4, 4902/3.9=3...(26) HG LEU 58 - HD2 LYS 109 OK 39 100 - 40 - 2.1/7061=5, 3370/3.9=4...(21) HG LEU 58 - HD3 LYS 109 OK 39 99 - 40 - 2.1/7061=5, 3370/3.9=4...(21) HB3 LYS 119 - HD2 LYS 109 OK 26 99 - 26 - 4922/3.0=3, 4902/3.9=2...(12) HB3 LYS 119 - HD3 LYS 109 OK 26 99 - 27 - 4922/3.0=3, 4902/3.9=2...(12) HB3 PRO 30 - HD2 LYS 109 OK 22 97 - 22 - 4922/3.0=2, 1.8/2371=2...(12) HB3 PRO 30 - HD3 LYS 109 OK 22 97 - 22 - 4922/3.0=2, 1.8/2371=2...(12) HB ILE 80 - HD2 LYS 109 lone 4 92 - 5 - HB ILE 80 - HD3 LYS 109 lone 4 91 - 5 - HB2 GLU 38 - HD3 LYS 109 lone 3 100 - 3 - HB3 GLU 64 - HD2 LYS 109 lone 3 100 - 3 - HB3 GLU 64 - HD3 LYS 109 lone 3 100 - 3 - HB2 GLU 38 - HD2 LYS 109 lone 3 100 - 3 - HB2 GLU 64 - HD3 LYS 109 lone 3 100 - 3 - HB2 GLU 64 - HD2 LYS 109 lone 3 100 - 3 - HB2 LEU 21 - HD2 LYS 109 lone 2 97 - 3 - HB2 LEU 21 - HD3 LYS 109 lone 2 96 - 3 - HB ILE 22 - HD2 LYS 109 lone 2 63 - 3 - HB3 GLU 69 - HD2 LYS 109 lone 2 99 - 2 - HB3 GLU 69 - HD3 LYS 109 lone 2 99 - 2 - HB ILE 22 - HD3 LYS 109 lone 2 62 - 3 - HB3 GLU 73 - HD2 LYS 109 lone 2 68 - 2 - HB3 GLU 73 - HD3 LYS 109 lone 2 68 - 2 - HB3 MET 11 - HD2 LYS 109 lone 1 81 - 2 - HB3 MET 11 - HD3 LYS 109 lone 1 80 - 2 - HB3 GLU 94 - HD2 LYS 109 lone 1 90 - 2 - HB3 GLU 94 - HD3 LYS 109 lone 1 90 - 2 - HB2 ARG 81 - HD2 LYS 109 lone 1 60 - 1 - HB2 ARG 81 - HD3 LYS 109 lone 1 60 - 1 - Peak 4933 from cnoeabs.peaks (1.86, 1.76, 28.93 ppm; 3.76 A): 4 out of 26 assignments used, quality = 1.00: * HB3 LYS 109 + HD2 LYS 109 OK 98 100 - 98 - 3.9=91, 2.9/4945=11...(38) HB3 LYS 109 + HD3 LYS 109 OK 98 100 - 98 - 3.9=91, 2.9/4945=11...(38) HB2 LEU 58 + HD2 LYS 109 OK 47 99 - 47 - 4923/3.0=7, 4893/3.9=6...(20) HB2 LEU 58 + HD3 LYS 109 OK 47 99 - 47 - 4923/3.0=7, 4893/3.9=6...(20) HB2 LYS 119 - HD2 LYS 109 OK 24 85 - 29 - 4923/3.0=3, 4893/3.9=3...(11) HB2 LYS 119 - HD3 LYS 109 OK 24 84 - 29 - 4923/3.0=3, 4893/3.9=3...(11) HB3 LYS 31 - HD2 LYS 109 OK 15 85 - 18 - 4923/3.0=2, 2420/3.0=2...(4) HB3 LYS 31 - HD3 LYS 109 OK 15 84 - 18 - 4923/3.0=2, 2420/3.0=2...(4) HG3 PRO 68 - HD2 LYS 109 lone 7 100 - 7 - 4923/3.0=1 HG3 PRO 68 - HD3 LYS 109 lone 7 100 - 7 - 4923/3.0=1 HG LEU 55 - HD3 LYS 109 lone 7 86 - 8 - 4923/3.0=1 HG LEU 55 - HD2 LYS 109 lone 7 87 - 8 - 4923/3.0=1 HB2 ARG 92 - HD2 LYS 109 lone 6 97 - 6 - HB2 ARG 92 - HD3 LYS 109 lone 5 97 - 5 - HG12 ILE 22 - HD2 LYS 109 lone 4 89 - 5 - HG12 ILE 22 - HD3 LYS 109 lone 4 88 - 5 - HB3 GLU 28 - HD2 LYS 109 lone 3 100 - 3 - HB3 GLU 28 - HD3 LYS 109 lone 3 100 - 3 - HG LEU 84 - HD2 LYS 109 lone 3 78 - 4 - HG LEU 84 - HD3 LYS 109 lone 3 78 - 4 - HB VAL 50 - HD2 LYS 109 lone 3 85 - 3 - HB VAL 50 - HD3 LYS 109 lone 3 84 - 3 - HG3 GLU 73 - HD2 LYS 109 lone 2 71 - 3 - HG3 GLU 73 - HD3 LYS 109 lone 2 70 - 3 - HG2 GLU 73 - HD2 LYS 109 lone 2 68 - 3 - HG2 GLU 73 - HD3 LYS 109 lone 2 68 - 3 - Peak 4934 from cnoeabs.peaks (1.48, 1.76, 28.93 ppm; 3.16 A): 2 out of 28 assignments used, quality = 1.00: * HG2 LYS 109 + HD2 LYS 109 OK 100 100 - 100 - 3.0=100 HG2 LYS 109 + HD3 LYS 109 OK 100 100 - 100 - 3.0=100 HG2 ARG 85 - HD2 LYS 109 OK 40 87 - 46 - 4924/3.0=4, 4304/3.0=3...(21) HG2 ARG 85 - HD3 LYS 109 OK 40 86 - 46 - 4924/3.0=4, 4304/3.0=3...(21) HB3 LEU 58 - HD2 LYS 109 OK 36 99 - 37 - 4924/3.0=4, 3.1/7061=3...(17) HB3 LEU 58 - HD3 LYS 109 OK 36 99 - 37 - 4924/3.0=4, 3.1/7061=3...(17) HD2 LYS 46 - HD2 LYS 109 OK 33 78 - 43 - 1.8/4935=4, 4924/3.0=3...(17) HD2 LYS 46 - HD3 LYS 109 OK 33 78 - 43 - 1.8/4945=4, 4924/3.0=3...(17) HG2 LYS 119 - HD2 LYS 109 OK 15 83 - 19 - 4924/3.0=2, 4894/3.9=1...(4) HG2 LYS 119 - HD3 LYS 109 OK 15 82 - 19 - 4924/3.0=2, 4894/3.9=1...(4) HG3 LYS 31 - HD2 LYS 109 OK 11 89 - 13 - 4924/3.0=1, 4917=1 HG3 LYS 31 - HD3 LYS 109 OK 11 88 - 13 - 4924/3.0=1, 4917=1 QB ALA 14 - HD2 LYS 109 lone 6 92 - 7 - 6307/1.8=1 QB ALA 14 - HD3 LYS 109 lone 6 91 - 7 - HB2 LEU 93 - HD2 LYS 109 lone 4 92 - 4 - HG LEU 91 - HD2 LYS 109 lone 4 98 - 4 - HB2 LEU 93 - HD3 LYS 109 lone 4 91 - 4 - HG LEU 93 - HD2 LYS 109 lone 4 96 - 4 - HG LEU 91 - HD3 LYS 109 lone 4 98 - 4 - HG LEU 93 - HD3 LYS 109 lone 4 95 - 4 - HG3 ARG 57 - HD3 LYS 109 lone 3 94 - 4 - HG3 ARG 57 - HD2 LYS 109 lone 3 95 - 3 - HB3 LEU 114 - HD2 LYS 109 lone 3 83 - 3 - HB3 LEU 114 - HD3 LYS 109 lone 3 82 - 3 - HG3 ARG 92 - HD2 LYS 109 lone 2 63 - 3 - HG3 ARG 92 - HD3 LYS 109 lone 2 62 - 3 - HB2 LEU 24 - HD2 LYS 109 lone 2 68 - 3 - HB2 LEU 24 - HD3 LYS 109 lone 2 68 - 3 - Peak 4935 from cnoeabs.peaks (1.55, 1.76, 28.93 ppm; 2.96 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 109 + HD2 LYS 109 OK 100 100 - 100 - 3.0=100 HG3 LYS 109 + HD3 LYS 109 OK 100 100 - 100 - 3.0=100 HD3 LYS 46 - HD2 LYS 109 OK 32 81 - 39 - 4915/3.0=3, 4895/3.9=3...(18) HD3 LYS 46 - HD3 LYS 109 OK 31 80 - 39 - 4915/3.0=3, 4895/3.9=3...(18) HB3 LYS 65 - HD2 LYS 109 OK 12 100 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HB2 LYS 65 - HD2 LYS 109 OK 12 100 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HB3 LYS 65 - HD3 LYS 109 OK 12 99 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HB2 LYS 65 - HD3 LYS 109 OK 12 99 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HG12 ILE 124 - HD2 LYS 109 lone 7 100 - 7 - HG12 ILE 124 - HD3 LYS 109 lone 7 100 - 7 - Peak 4936 from cnoeabs.peaks (1.76, 1.76, 28.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 109 + HD2 LYS 109 OK 100 100 - 100 HD3 LYS 109 + HD3 LYS 109 OK 100 100 - 100 Peak 4937 from cnoeabs.peaks (1.77, 1.76, 28.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 109 + HD3 LYS 109 OK 100 100 - 100 HD2 LYS 109 + HD2 LYS 109 OK 100 100 - 100 Reference assignment not found: HD3 LYS 109 - HD2 LYS 109 Peak 4938 from cnoeabs.peaks (3.02, 1.76, 28.93 ppm; 2.95 A): 4 out of 10 assignments used, quality = 1.00: HE3 LYS 109 + HD2 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) * HE2 LYS 109 + HD2 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) HE3 LYS 109 + HD3 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) HE2 LYS 109 + HD3 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) HD2 ARG 85 - HD2 LYS 109 OK 33 97 - 34 - 4928/3.0=3, ~4328=2...(18) HD2 ARG 85 - HD3 LYS 109 OK 33 97 - 34 - 4928/3.0=3, ~4328=2...(18) HB2 TYR 102 - HD2 LYS 109 OK 32 92 - 35 - 4929/3.0=3, 4695/3.0=2...(19) HB2 TYR 102 - HD3 LYS 109 OK 32 91 - 35 - 4929/3.0=3, 4695/3.0=2...(19) HB3 TYR 102 - HD2 LYS 109 OK 20 63 - 32 - 2.5/4743=2, 3.0/4941=2...(21) HB3 TYR 102 - HD3 LYS 109 OK 20 62 - 32 - 2.5/4743=2, 3.0/4941=2...(21) Peak 4939 from cnoeabs.peaks (3.02, 1.76, 28.93 ppm; 2.95 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 109 + HD2 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) HE2 LYS 109 + HD2 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) HE3 LYS 109 + HD3 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) HE2 LYS 109 + HD3 LYS 109 OK 98 100 - 98 - 3.0=96, 1.8/4957=7...(18) HD2 ARG 85 - HD2 LYS 109 OK 33 97 - 34 - 4928/3.0=3, ~4328=2...(18) HD2 ARG 85 - HD3 LYS 109 OK 33 97 - 34 - 4928/3.0=3, ~4328=2...(18) HB2 TYR 102 - HD2 LYS 109 OK 32 92 - 35 - 4929/3.0=3, 4695/3.0=2...(19) HB2 TYR 102 - HD3 LYS 109 OK 32 91 - 35 - 4929/3.0=3, 4695/3.0=2...(19) HB3 TYR 102 - HD2 LYS 109 OK 20 63 - 32 - 2.5/4743=2, 3.0/4941=2...(21) HB3 TYR 102 - HD3 LYS 109 OK 20 62 - 32 - 2.5/4743=2, 3.0/4941=2...(21) Peak 4940 from cnoeabs.peaks (7.48, 1.77, 28.93 ppm; 4.27 A): 4 out of 6 assignments used, quality = 1.00: * H LYS 109 + HD3 LYS 109 OK 88 100 - 88 - 6.2=32, 1327/3.0=20...(22) H LYS 109 + HD2 LYS 109 OK 88 100 - 88 - 6.2=32, 1327/3.0=20...(22) H GLY 104 + HD3 LYS 109 OK 45 100 - 45 - 4920/3.0=9, 4910/3.0=7...(11) H GLY 104 + HD2 LYS 109 OK 45 100 - 45 - 4920/3.0=9, 4910/3.0=7...(11) H ALA 43 - HD3 LYS 109 OK 39 85 - 46 - 4920/3.0=6, 4890/3.9=5...(16) H ALA 43 - HD2 LYS 109 OK 39 84 - 46 - 4920/3.0=6, 4890/3.9=5...(16) Peak 4941 from cnoeabs.peaks (4.05, 1.77, 28.93 ppm; 3.75 A): 4 out of 14 assignments used, quality = 1.00: * HA LYS 109 + HD3 LYS 109 OK 89 100 - 89 - 5.2=38, 4911/3.0=10...(36) HA LYS 109 + HD2 LYS 109 OK 89 100 - 89 - 5.2=38, 4911/3.0=10...(36) HA TYR 102 + HD3 LYS 109 OK 49 99 - 50 - 4921/3.0=7, 4688/3.0=6...(23) HA TYR 102 + HD2 LYS 109 OK 49 99 - 49 - 4921/3.0=7, 4688/3.0=6...(23) HD3 PRO 37 - HD3 LYS 109 OK 23 98 - 23 - 4921/3.0=3, 4891/3.9=2...(8) HD3 PRO 37 - HD2 LYS 109 OK 23 98 - 23 - 4921/3.0=3, 4891/3.9=2...(6) HA LEU 55 - HD3 LYS 109 OK 14 100 - 14 - 4921/3.0=2, 7012/3.0=2...(4) HA SER 44 - HD2 LYS 109 OK 14 91 - 15 - 2.9/6822=2, 4921/3.0=2...(8) HA SER 44 - HD3 LYS 109 OK 14 92 - 15 - 2.9/6822=2, 4921/3.0=2...(8) HA LEU 55 - HD2 LYS 109 OK 14 100 - 14 - 4921/3.0=2, 7012/3.0=2...(4) HA SER 112 - HD3 LYS 109 OK 12 99 - 12 - 4891/3.9=3, 4901/3.9=3...(5) HA SER 112 - HD2 LYS 109 OK 12 99 - 12 - 4891/3.9=3, 4901/3.9=3...(5) HA GLN 16 - HD3 LYS 109 lone 4 83 - 5 - HA GLN 16 - HD2 LYS 109 lone 4 82 - 5 - Peak 4942 from cnoeabs.peaks (1.94, 1.77, 28.93 ppm; 3.47 A): 2 out of 34 assignments used, quality = 0.99: * HB2 LYS 109 + HD3 LYS 109 OK 93 100 - 93 - 3.9=71, 2.9/4945=10...(34) HB2 LYS 109 + HD2 LYS 109 OK 93 100 - 93 - 3.9=71, 2.9/4945=10...(34) HB3 ARG 85 - HD3 LYS 109 OK 42 97 - 43 - 4922/3.0=4, 4902/3.9=2...(26) HB2 ARG 85 - HD3 LYS 109 OK 42 97 - 43 - 4922/3.0=4, 4902/3.9=2...(26) HB2 ARG 85 - HD2 LYS 109 OK 42 97 - 43 - 4922/3.0=4, 4902/3.9=2...(26) HB3 ARG 85 - HD2 LYS 109 OK 42 97 - 43 - 4922/3.0=4, 4902/3.9=2...(26) HG LEU 58 - HD3 LYS 109 OK 38 100 - 38 - 2.1/7061=5, 3370/3.9=4...(21) HG LEU 58 - HD2 LYS 109 OK 38 99 - 38 - 2.1/7061=5, 3370/3.9=4...(21) HB3 LYS 119 - HD3 LYS 109 OK 25 99 - 25 - 4922/3.0=3, 4902/3.9=2...(11) HB3 LYS 119 - HD2 LYS 109 OK 25 99 - 25 - 4922/3.0=3, 4902/3.9=2...(11) HB3 PRO 30 - HD3 LYS 109 OK 21 97 - 21 - 4922/3.0=2, 1.8/2371=1...(9) HB3 PRO 30 - HD2 LYS 109 OK 21 97 - 21 - 4922/3.0=2, 1.8/2371=1...(9) HB ILE 80 - HD3 LYS 109 lone 4 92 - 5 - HB ILE 80 - HD2 LYS 109 lone 4 91 - 5 - HB2 GLU 38 - HD3 LYS 109 lone 3 100 - 3 - HB2 GLU 38 - HD2 LYS 109 lone 3 100 - 3 - HB3 GLU 64 - HD3 LYS 109 lone 3 100 - 3 - HB3 GLU 64 - HD2 LYS 109 lone 3 100 - 3 - HB2 GLU 64 - HD3 LYS 109 lone 3 100 - 3 - HB2 GLU 64 - HD2 LYS 109 lone 3 100 - 3 - HB2 LEU 21 - HD3 LYS 109 lone 2 97 - 2 - HB2 LEU 21 - HD2 LYS 109 lone 2 96 - 2 - HB3 GLU 69 - HD3 LYS 109 lone 2 99 - 2 - HB ILE 22 - HD3 LYS 109 lone 2 63 - 3 - HB3 GLU 69 - HD2 LYS 109 lone 2 99 - 2 - HB ILE 22 - HD2 LYS 109 lone 2 62 - 3 - HB3 GLU 73 - HD3 LYS 109 lone 1 68 - 2 - HB3 GLU 73 - HD2 LYS 109 lone 1 68 - 2 - HB3 MET 11 - HD3 LYS 109 lone 1 81 - 2 - HB3 MET 11 - HD2 LYS 109 lone 1 80 - 2 - HB3 GLU 94 - HD3 LYS 109 lone 1 90 - 1 - HB3 GLU 94 - HD2 LYS 109 lone 1 90 - 1 - HB2 ARG 81 - HD3 LYS 109 lone 1 60 - 1 - HB2 ARG 81 - HD2 LYS 109 lone 1 60 - 1 - Peak 4943 from cnoeabs.peaks (1.86, 1.77, 28.93 ppm; 3.67 A): 4 out of 26 assignments used, quality = 1.00: * HB3 LYS 109 + HD3 LYS 109 OK 97 100 - 97 - 3.9=85, 2.9/4945=11...(38) HB3 LYS 109 + HD2 LYS 109 OK 97 100 - 97 - 3.9=85, 2.9/4945=11...(38) HB2 LEU 58 + HD3 LYS 109 OK 45 99 - 46 - 4923/3.0=6, 4893/3.9=6...(20) HB2 LEU 58 + HD2 LYS 109 OK 45 99 - 46 - 4923/3.0=6, 4893/3.9=6...(20) HB2 LYS 119 - HD3 LYS 109 OK 23 85 - 28 - 4923/3.0=3, 4893/3.9=3...(10) HB2 LYS 119 - HD2 LYS 109 OK 23 84 - 28 - 4923/3.0=3, 4893/3.9=3...(10) HB3 LYS 31 - HD3 LYS 109 OK 15 85 - 17 - 4923/3.0=2, 2420/3.0=2...(4) HB3 LYS 31 - HD2 LYS 109 OK 15 84 - 17 - 4923/3.0=2, 2420/3.0=2...(4) HG3 PRO 68 - HD3 LYS 109 lone 7 100 - 7 - 4923/3.0=1 HG3 PRO 68 - HD2 LYS 109 lone 7 100 - 7 - 4923/3.0=1 HG LEU 55 - HD3 LYS 109 lone 7 87 - 7 - HG LEU 55 - HD2 LYS 109 lone 6 86 - 7 - HB2 ARG 92 - HD2 LYS 109 lone 5 97 - 5 - HB2 ARG 92 - HD3 LYS 109 lone 5 97 - 5 - HG12 ILE 22 - HD3 LYS 109 lone 4 89 - 4 - HG12 ILE 22 - HD2 LYS 109 lone 4 88 - 4 - HB3 GLU 28 - HD3 LYS 109 lone 3 100 - 3 - HB3 GLU 28 - HD2 LYS 109 lone 3 100 - 3 - HG LEU 84 - HD3 LYS 109 lone 3 78 - 3 - HG LEU 84 - HD2 LYS 109 lone 3 78 - 3 - HB VAL 50 - HD3 LYS 109 lone 3 85 - 3 - HB VAL 50 - HD2 LYS 109 lone 3 84 - 3 - HG3 GLU 73 - HD3 LYS 109 lone 2 71 - 3 - HG3 GLU 73 - HD2 LYS 109 lone 2 70 - 3 - HG2 GLU 73 - HD3 LYS 109 lone 2 68 - 3 - HG2 GLU 73 - HD2 LYS 109 lone 2 68 - 3 - Peak 4944 from cnoeabs.peaks (1.48, 1.77, 28.93 ppm; 3.11 A): 2 out of 28 assignments used, quality = 1.00: * HG2 LYS 109 + HD3 LYS 109 OK 100 100 - 100 - 3.0=100 HG2 LYS 109 + HD2 LYS 109 OK 100 100 - 100 - 3.0=100 HG2 ARG 85 - HD3 LYS 109 OK 39 87 - 45 - 4924/3.0=4, 4304/3.0=3...(20) HG2 ARG 85 - HD2 LYS 109 OK 39 86 - 45 - 4924/3.0=4, 4304/3.0=3...(20) HB3 LEU 58 - HD3 LYS 109 OK 35 99 - 36 - 4924/3.0=4, 3.1/7061=3...(17) HB3 LEU 58 - HD2 LYS 109 OK 35 99 - 36 - 4924/3.0=4, 3.1/7061=3...(17) HD2 LYS 46 - HD3 LYS 109 OK 32 78 - 41 - 1.8/4945=3, 4924/3.0=3...(17) HD2 LYS 46 - HD2 LYS 109 OK 32 78 - 41 - 1.8/4935=3, 4924/3.0=3...(17) HG2 LYS 119 - HD3 LYS 109 OK 15 83 - 18 - 4924/3.0=2, 4894/3.9=1...(4) HG2 LYS 119 - HD2 LYS 109 OK 15 82 - 18 - 4924/3.0=2, 4894/3.9=1...(4) HG3 LYS 31 - HD3 LYS 109 OK 11 89 - 12 - 4924/3.0=1, 4917=1 HG3 LYS 31 - HD2 LYS 109 OK 11 88 - 12 - 4924/3.0=1, 4917=1 QB ALA 14 - HD3 LYS 109 lone 6 92 - 7 - QB ALA 14 - HD2 LYS 109 lone 6 91 - 7 - HB2 LEU 93 - HD2 LYS 109 lone 4 91 - 4 - HB2 LEU 93 - HD3 LYS 109 lone 4 92 - 4 - HG LEU 91 - HD2 LYS 109 lone 4 98 - 4 - HG LEU 91 - HD3 LYS 109 lone 4 98 - 4 - HG LEU 93 - HD2 LYS 109 lone 3 95 - 4 - HG LEU 93 - HD3 LYS 109 lone 3 96 - 4 - HG3 ARG 57 - HD3 LYS 109 lone 3 95 - 3 - HG3 ARG 57 - HD2 LYS 109 lone 3 94 - 3 - HB3 LEU 114 - HD2 LYS 109 lone 3 82 - 3 - HB3 LEU 114 - HD3 LYS 109 lone 3 83 - 3 - HG3 ARG 92 - HD2 LYS 109 lone 2 62 - 3 - HG3 ARG 92 - HD3 LYS 109 lone 2 63 - 3 - HB2 LEU 24 - HD3 LYS 109 lone 2 68 - 2 - HB2 LEU 24 - HD2 LYS 109 lone 2 68 - 2 - Peak 4945 from cnoeabs.peaks (1.55, 1.77, 28.93 ppm; 2.93 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 109 + HD3 LYS 109 OK 99 100 - 99 - 3.0=98, 4965/3.0=6...(33) HG3 LYS 109 + HD2 LYS 109 OK 99 100 - 99 - 3.0=98, 4955/3.0=6...(33) HD3 LYS 46 - HD3 LYS 109 OK 31 81 - 38 - 4915/3.0=3, 4895/3.9=3...(18) HD3 LYS 46 - HD2 LYS 109 OK 31 80 - 39 - 4915/3.0=3, 4895/3.9=3...(18) HB3 LYS 65 - HD2 LYS 109 OK 12 99 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HB2 LYS 65 - HD2 LYS 109 OK 12 99 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HB3 LYS 65 - HD3 LYS 109 OK 12 100 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HB2 LYS 65 - HD3 LYS 109 OK 12 100 - 12 - 4895/3.9=2, 4905/3.9=2...(4) HG12 ILE 124 - HD3 LYS 109 lone 7 100 - 7 - HG12 ILE 124 - HD2 LYS 109 lone 7 100 - 7 - Peak 4946 from cnoeabs.peaks (1.76, 1.77, 28.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 109 + HD3 LYS 109 OK 100 100 - 100 HD2 LYS 109 + HD2 LYS 109 OK 100 100 - 100 Reference assignment not found: HD2 LYS 109 - HD3 LYS 109 Peak 4947 from cnoeabs.peaks (1.77, 1.77, 28.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 109 + HD3 LYS 109 OK 100 100 - 100 HD2 LYS 109 + HD2 LYS 109 OK 100 100 - 100 Peak 4948 from cnoeabs.peaks (3.02, 1.77, 28.93 ppm; 2.92 A): 4 out of 10 assignments used, quality = 1.00: HE3 LYS 109 + HD3 LYS 109 OK 97 100 - 97 - 3.0=93, 1.8/4957=7...(18) * HE2 LYS 109 + HD3 LYS 109 OK 97 100 - 97 - 3.0=93, 1.8/4957=7...(18) HE3 LYS 109 + HD2 LYS 109 OK 96 100 - 97 - 3.0=93, 1.8/4967=7...(18) HE2 LYS 109 + HD2 LYS 109 OK 96 100 - 97 - 3.0=93, 1.8/4967=7...(18) HD2 ARG 85 - HD3 LYS 109 OK 32 97 - 33 - 4928/3.0=3, ~4326=2...(18) HD2 ARG 85 - HD2 LYS 109 OK 32 97 - 33 - 4928/3.0=3, ~4326=2...(18) HB2 TYR 102 - HD3 LYS 109 OK 32 92 - 35 - 4929/3.0=2, 2.5/4743=2...(19) HB2 TYR 102 - HD2 LYS 109 OK 32 91 - 35 - 4929/3.0=2, 4695/3.0=2...(19) HB3 TYR 102 - HD3 LYS 109 OK 20 63 - 31 - 2.5/4743=2, 3.0/4941=2...(21) HB3 TYR 102 - HD2 LYS 109 OK 19 62 - 31 - 2.5/4743=2, 3.0/4941=2...(21) Peak 4949 from cnoeabs.peaks (3.02, 1.77, 28.93 ppm; 2.92 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 109 + HD3 LYS 109 OK 97 100 - 97 - 3.0=93, 1.8/4957=7...(18) HE2 LYS 109 + HD3 LYS 109 OK 97 100 - 97 - 3.0=93, 1.8/4957=7...(18) HE3 LYS 109 + HD2 LYS 109 OK 96 100 - 97 - 3.0=93, 1.8/4967=7...(18) HE2 LYS 109 + HD2 LYS 109 OK 96 100 - 97 - 3.0=93, 1.8/4967=7...(18) HD2 ARG 85 - HD3 LYS 109 OK 32 97 - 33 - 4928/3.0=3, ~4326=2...(18) HD2 ARG 85 - HD2 LYS 109 OK 32 97 - 33 - 4928/3.0=3, ~4326=2...(18) HB2 TYR 102 - HD3 LYS 109 OK 32 92 - 35 - 4929/3.0=2, 2.5/4743=2...(19) HB2 TYR 102 - HD2 LYS 109 OK 32 91 - 35 - 4929/3.0=2, 4695/3.0=2...(19) HB3 TYR 102 - HD3 LYS 109 OK 20 63 - 31 - 2.5/4743=2, 3.0/4941=2...(21) HB3 TYR 102 - HD2 LYS 109 OK 19 62 - 31 - 2.5/4743=2, 3.0/4941=2...(21) Peak 4950 from cnoeabs.peaks (7.48, 3.02, 41.85 ppm; 4.81 A): 4 out of 9 assignments used, quality = 1.00: * H LYS 109 + HE2 LYS 109 OK 88 100 - 88 - 6.9=34, 4920/3.5=21...(16) H LYS 109 + HE3 LYS 109 OK 88 100 - 88 - 6.9=34, 4920/3.5=21...(16) H GLY 104 + HE2 LYS 109 OK 45 100 - 45 - 4920/3.5=9, 4910/3.5=8...(10) H GLY 104 + HE3 LYS 109 OK 45 100 - 45 - 4920/3.5=9, 4910/3.5=8...(10) H ALA 43 - HE3 LYS 109 OK 30 85 - 35 - 4920/3.5=7, 4910/3.5=6...(9) H ALA 43 - HE2 LYS 109 OK 30 85 - 35 - 4920/3.5=7, 4910/3.5=6...(9) H LYS 109 - HD2 ARG 85 OK 23 55 - 41 - 1330=6, 4.0/4908=6...(14) H ALA 43 - HD2 ARG 85 poor 5 41 - 11 - 178/3.0=2, 958/5.4=1 H GLY 104 - HD2 ARG 85 lone 4 55 - 7 - 4.6/508=1 Peak 4952 from cnoeabs.peaks (1.94, 3.02, 41.85 ppm; 3.47 A): 6 out of 51 assignments used, quality = 1.00: HB2 LYS 109 + HE3 LYS 109 OK 84 100 - 84 - 4.7=41, 2.9/4955=9...(30) * HB2 LYS 109 + HE2 LYS 109 OK 84 100 - 84 - 4.7=41, 2.9/4955=9...(30) HB3 ARG 85 + HE2 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB3 ARG 85 + HE3 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB2 ARG 85 + HE2 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB2 ARG 85 + HE3 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB2 ARG 85 - HD2 ARG 85 OK 43 51 - 84 - 3.9=72, 3.0/4280=9...(12) HB3 ARG 85 - HD2 ARG 85 OK 43 51 - 84 - 3.9=72, 3.0/4280=9...(12) HB2 LYS 109 - HD2 ARG 85 OK 26 55 - 48 - 4324/1.8=5, 8712/2.9=5...(21) HG LEU 58 - HE2 LYS 109 OK 25 100 - 25 - 4922/3.5=3, 3370/4.7=3...(12) HG LEU 58 - HE3 LYS 109 OK 25 100 - 25 - 4922/3.5=3, 3370/4.7=3...(12) HB3 LYS 119 - HE2 LYS 109 OK 15 99 - 15 - 4922/3.5=2, 4902/4.7=2...(6) HB3 LYS 119 - HE3 LYS 109 OK 15 99 - 15 - 4922/3.5=2, 4902/4.7=2...(6) HB3 PRO 30 - HE3 LYS 109 OK 10 97 - 11 - 4922/3.5=1 HB3 PRO 30 - HE2 LYS 109 OK 10 97 - 11 - 4922/3.5=1 HB ILE 80 - HE3 LYS 109 lone 6 92 - 6 - 3.2/7414=2, ~7414=1 HB ILE 80 - HE2 LYS 109 lone 6 92 - 6 - 3.2/7414=2, ~7414=1 HG LEU 58 - HD2 ARG 85 poor 5 54 - 10 - 4324/1.8=1, ~4326=1 HB2 GLU 38 - HD2 ARG 85 lone 4 55 - 7 - ~6007=1 HB2 GLU 38 - HE2 LYS 109 lone 2 100 - 2 - HB2 GLU 38 - HE3 LYS 109 lone 2 100 - 2 - HB3 GLU 64 - HE2 LYS 109 lone 2 100 - 2 - HB3 GLU 64 - HE3 LYS 109 lone 2 100 - 2 - HB2 GLU 64 - HE2 LYS 109 lone 2 100 - 2 - HB2 GLU 64 - HE3 LYS 109 lone 2 100 - 2 - HB2 GLU 64 - HD2 ARG 85 lone 2 55 - 4 - HB3 GLU 64 - HD2 ARG 85 lone 2 55 - 4 - HB2 LEU 21 - HE3 LYS 109 lone 2 97 - 2 - HB2 LEU 21 - HE2 LYS 109 lone 2 97 - 2 - HB3 LYS 119 - HD2 ARG 85 lone 2 54 - 3 - HB3 PRO 30 - HD2 ARG 85 lone 2 51 - 3 - HB3 GLU 94 - HD2 ARG 85 lone 2 45 - 3 - HB2 LEU 21 - HD2 ARG 85 lone 1 50 - 3 - HB3 GLU 69 - HE3 LYS 109 lone 1 99 - 1 - HB3 GLU 69 - HE2 LYS 109 lone 1 99 - 1 - HB ILE 22 - HE3 LYS 109 lone 1 63 - 2 - HB ILE 22 - HE2 LYS 109 lone 1 63 - 2 - HB3 GLU 94 - HE2 LYS 109 lone 1 90 - 1 - HB3 GLU 94 - HE3 LYS 109 lone 1 90 - 1 - HB3 GLU 73 - HE3 LYS 109 lone 1 68 - 2 - HB3 GLU 73 - HE2 LYS 109 lone 1 68 - 2 - HB ILE 80 - HD2 ARG 85 lone 1 46 - 2 - HB3 MET 11 - HE2 LYS 109 lone 1 81 - 1 - HB3 MET 11 - HE3 LYS 109 lone 1 81 - 1 - HB ILE 22 - HD2 ARG 85 lone 1 28 - 2 - 5479/6.2=2 HB3 GLU 69 - HD2 ARG 85 lone 1 54 - 1 - HB2 ARG 81 - HE3 LYS 109 lone 1 60 - 1 - HB2 ARG 81 - HE2 LYS 109 lone 1 60 - 1 - HB2 ARG 81 - HD2 ARG 85 lone 0 27 - 1 - HB3 GLU 73 - HD2 ARG 85 lone 0 31 - 1 - HB3 MET 11 - HD2 ARG 85 lone 0 38 - 0 - Peak 4953 from cnoeabs.peaks (1.86, 3.02, 41.85 ppm; 3.81 A): 2 out of 39 assignments used, quality = 0.99: HB3 LYS 109 + HE3 LYS 109 OK 91 100 - 91 - 4.7=54, 2.9/4955=10...(34) * HB3 LYS 109 + HE2 LYS 109 OK 91 100 - 91 - 4.7=54, 2.9/4955=10...(34) HB2 LEU 58 - HE3 LYS 109 OK 34 99 - 35 - 4923/3.5=6, 4893/4.7=4...(14) HB2 LEU 58 - HE2 LYS 109 OK 34 99 - 35 - 4923/3.5=6, 4893/4.7=4...(14) HB3 LYS 109 - HD2 ARG 85 OK 33 55 - 60 - 4908=7, 1.8/4898=5...(29) HB2 LYS 119 - HE2 LYS 109 OK 16 85 - 19 - 4923/3.5=3, 4893/4.7=2...(6) HB2 LYS 119 - HE3 LYS 109 OK 16 85 - 19 - 4923/3.5=3, 4893/4.7=2...(6) HB3 LYS 31 - HE3 LYS 109 poor 9 85 - 11 - 4923/3.5=2, 2420/3.5=1...(5) HB3 LYS 31 - HE2 LYS 109 poor 9 85 - 11 - 4923/3.5=2, 2420/3.5=1...(5) HB2 LEU 58 - HD2 ARG 85 poor 8 54 - 15 - ~4326=2, 3357/3.0=1, ~4310=1 HG3 PRO 68 - HE3 LYS 109 lone 6 100 - 6 - HG3 PRO 68 - HE2 LYS 109 lone 6 100 - 6 - HB2 ARG 92 - HD2 ARG 85 lone 5 51 - 10 - 4422/2.9=1, ~4326=1 HG LEU 55 - HE3 LYS 109 lone 5 87 - 6 - HG LEU 55 - HE2 LYS 109 lone 5 87 - 6 - HB2 ARG 92 - HE3 LYS 109 lone 4 97 - 4 - HB2 ARG 92 - HE2 LYS 109 lone 4 97 - 4 - HG12 ILE 22 - HE2 LYS 109 lone 3 89 - 4 - HG12 ILE 22 - HE3 LYS 109 lone 3 89 - 4 - HB3 GLU 28 - HE3 LYS 109 lone 3 100 - 3 - HB3 GLU 28 - HE2 LYS 109 lone 3 100 - 3 - HG3 PRO 68 - HD2 ARG 85 lone 3 55 - 5 - HB VAL 50 - HE3 LYS 109 lone 2 85 - 2 - HB VAL 50 - HE2 LYS 109 lone 2 85 - 2 - HG3 GLU 73 - HE3 LYS 109 lone 2 71 - 3 - HG3 GLU 73 - HE2 LYS 109 lone 2 71 - 3 - HB2 LYS 119 - HD2 ARG 85 lone 2 41 - 5 - HG2 GLU 73 - HE3 LYS 109 lone 2 68 - 3 - HG2 GLU 73 - HE2 LYS 109 lone 2 68 - 3 - HG LEU 84 - HE2 LYS 109 lone 2 78 - 2 - HG LEU 84 - HE3 LYS 109 lone 2 78 - 2 - HG LEU 84 - HD2 ARG 85 lone 1 37 - 4 - 5766/6.2=3 HB3 LYS 31 - HD2 ARG 85 lone 1 41 - 3 - HB3 GLU 28 - HD2 ARG 85 lone 1 55 - 1 - HG LEU 55 - HD2 ARG 85 lone 1 42 - 1 - HG12 ILE 22 - HD2 ARG 85 lone 1 43 - 1 - HB VAL 50 - HD2 ARG 85 lone 0 41 - 1 - HG3 GLU 73 - HD2 ARG 85 lone 0 32 - 1 - HG2 GLU 73 - HD2 ARG 85 lone 0 31 - 1 - Peak 4954 from cnoeabs.peaks (1.48, 3.02, 41.85 ppm; 3.21 A): 2 out of 42 assignments used, quality = 0.99: * HG2 LYS 109 + HE2 LYS 109 OK 93 100 - 93 - 3.5=76, 1.8/4965=10...(35) HG2 LYS 109 + HE3 LYS 109 OK 93 100 - 93 - 3.5=76, 1.8/4965=10...(35) HG2 ARG 85 - HD2 ARG 85 OK 42 42 - 100 - 3.0=100 HG2 ARG 85 - HE2 LYS 109 OK 41 87 - 47 - 1.8/4312=6, 3.0/4328=6...(19) HG2 ARG 85 - HE3 LYS 109 OK 41 87 - 47 - 1.8/4312=6, 3.0/4328=6...(19) HB3 LEU 58 - HE3 LYS 109 OK 24 99 - 24 - 4924/3.5=3, 4904/4.7=2...(12) HB3 LEU 58 - HE2 LYS 109 OK 24 99 - 24 - 4924/3.5=3, 4904/4.7=2...(12) HG2 LYS 109 - HD2 ARG 85 OK 24 55 - 43 - 4326/1.8=5, 1.8/4929=5...(23) HD2 LYS 46 - HE2 LYS 109 OK 18 78 - 23 - 4924/3.5=2, 1.8/4965=2...(12) HD2 LYS 46 - HE3 LYS 109 OK 18 78 - 23 - 4924/3.5=2, 1.8/4965=2...(12) HG2 LYS 119 - HE2 LYS 109 poor 9 83 - 11 - 4924/3.5=1, 4894/4.7=1 HG2 LYS 119 - HE3 LYS 109 poor 9 83 - 11 - 4924/3.5=1, 4894/4.7=1 HG3 LYS 31 - HE2 LYS 109 lone 6 89 - 7 - 4924/3.5=1 HG3 LYS 31 - HE3 LYS 109 lone 6 89 - 7 - 4924/3.5=1 HB3 LEU 58 - HD2 ARG 85 poor 6 53 - 11 - 4326/1.8=1, 4310/3.0=1 HG3 ARG 57 - HD2 ARG 85 poor 5 48 - 11 - 3329/1.8=3, ~3321=2...(4) QB ALA 14 - HE3 LYS 109 lone 4 92 - 4 - QB ALA 14 - HE2 LYS 109 lone 4 92 - 4 - HB3 LEU 114 - HD2 ARG 85 lone 4 39 - 9 - 4326/1.8=1, 5070/2.9=1 HB2 LEU 24 - HD2 ARG 85 lone 3 31 - 9 - ~6469=2, 4326/1.8=1 HG3 ARG 92 - HD2 ARG 85 lone 3 28 - 9 - 4326/1.8=1, ~4326=1 HG LEU 91 - HD2 ARG 85 lone 3 52 - 5 - HG LEU 91 - HE3 LYS 109 lone 2 98 - 2 - HG LEU 91 - HE2 LYS 109 lone 2 98 - 2 - HG LEU 93 - HE2 LYS 109 lone 2 96 - 2 - HG LEU 93 - HE3 LYS 109 lone 2 96 - 2 - HB2 LEU 93 - HE2 LYS 109 lone 2 92 - 2 - HB2 LEU 93 - HE3 LYS 109 lone 2 92 - 2 - HG LEU 93 - HD2 ARG 85 lone 2 49 - 4 - HG3 ARG 57 - HE2 LYS 109 lone 2 95 - 2 - HG3 ARG 57 - HE3 LYS 109 lone 2 95 - 2 - QB ALA 14 - HD2 ARG 85 lone 2 46 - 4 - HB3 LEU 114 - HE2 LYS 109 lone 2 83 - 2 - HB3 LEU 114 - HE3 LYS 109 lone 2 83 - 2 - HG3 ARG 92 - HE2 LYS 109 lone 1 63 - 2 - HG3 ARG 92 - HE3 LYS 109 lone 1 63 - 2 - HB2 LEU 24 - HE3 LYS 109 lone 1 68 - 2 - HB2 LEU 24 - HE2 LYS 109 lone 1 68 - 2 - HB2 LEU 93 - HD2 ARG 85 lone 1 46 - 3 - HG2 LYS 119 - HD2 ARG 85 lone 1 39 - 2 - HG3 LYS 31 - HD2 ARG 85 lone 1 43 - 2 - HD2 LYS 46 - HD2 ARG 85 lone 1 37 - 2 - Peak 4955 from cnoeabs.peaks (1.55, 3.02, 41.85 ppm; 3.26 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 109 + HE2 LYS 109 OK 94 100 - 94 - 3.5=80, 4945/3.0=9...(36) HG3 LYS 109 + HE3 LYS 109 OK 94 100 - 94 - 3.5=80, 4945/3.0=9...(36) HG3 LYS 109 - HD2 ARG 85 OK 26 55 - 48 - 4928=6, 4924/3.0=4...(24) HD3 LYS 46 - HE3 LYS 109 OK 21 81 - 26 - 4915/3.5=3, 4905/4.7=3...(9) HD3 LYS 46 - HE2 LYS 109 OK 21 81 - 26 - 4915/3.5=3, 4905/4.7=3...(9) HB3 LYS 65 - HE2 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HB3 LYS 65 - HE3 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HB2 LYS 65 - HE2 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HB2 LYS 65 - HE3 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HG12 ILE 124 - HE2 LYS 109 lone 5 100 - 5 - HG12 ILE 124 - HE3 LYS 109 lone 5 100 - 5 - HB2 LYS 65 - HD2 ARG 85 lone 1 54 - 3 - HB3 LYS 65 - HD2 ARG 85 lone 1 54 - 3 - HD3 LYS 46 - HD2 ARG 85 lone 1 38 - 2 - HG12 ILE 124 - HD2 ARG 85 lone 0 55 - 1 - Peak 4956 from cnoeabs.peaks (1.76, 3.02, 41.85 ppm; 2.74 A): 4 out of 48 assignments used, quality = 1.00: * HD2 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) HD2 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) HD3 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) HD3 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) HD2 LYS 109 - HD2 ARG 85 OK 16 55 - 28 - 3.0/4928=2, 4949=2...(13) HD3 LYS 109 - HD2 ARG 85 OK 16 55 - 28 - 3.0/4928=2, 4948=2...(13) HB3 LYS 46 - HE3 LYS 109 OK 13 97 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HB3 LYS 46 - HE2 LYS 109 OK 13 97 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HG3 PRO 30 - HE2 LYS 109 lone 6 100 - 6 - HG3 PRO 30 - HE3 LYS 109 lone 6 100 - 6 - HB2 PRO 37 - HE3 LYS 109 lone 4 73 - 5 - HB2 PRO 37 - HE2 LYS 109 lone 4 73 - 5 - HG2 GLN 42 - HE2 LYS 109 lone 3 100 - 3 - HG2 GLN 42 - HE3 LYS 109 lone 3 100 - 3 - HB2 LEU 117 - HE2 LYS 109 lone 3 97 - 3 - HB2 LEU 117 - HE3 LYS 109 lone 3 97 - 3 - HG LEU 117 - HE3 LYS 109 lone 3 100 - 3 - HG LEU 117 - HE2 LYS 109 lone 3 100 - 3 - HB2 LEU 45 - HE2 LYS 109 lone 2 98 - 2 - HB2 LEU 45 - HE3 LYS 109 lone 2 98 - 2 - HB2 LYS 32 - HE2 LYS 109 lone 2 73 - 2 - HB2 LYS 32 - HE3 LYS 109 lone 2 73 - 2 - HG3 ARG 71 - HE3 LYS 109 lone 1 99 - 1 - HG3 ARG 71 - HE2 LYS 109 lone 1 99 - 1 - HB2 GLU 75 - HE2 LYS 109 lone 1 95 - 1 - HB2 GLU 75 - HE3 LYS 109 lone 1 95 - 1 - HG2 GLN 42 - HD2 ARG 85 lone 1 55 - 2 - HG3 PRO 30 - HD2 ARG 85 lone 1 55 - 2 - HB VAL 66 - HE3 LYS 109 lone 1 92 - 1 - HB VAL 66 - HE2 LYS 109 lone 1 92 - 1 - HG2 ARG 71 - HE2 LYS 109 lone 1 85 - 1 - HG2 ARG 71 - HE3 LYS 109 lone 1 85 - 1 - HB2 LEU 91 - HE2 LYS 109 lone 1 63 - 1 - HB2 LEU 91 - HE3 LYS 109 lone 1 63 - 1 - HB2 LEU 91 - HD2 ARG 85 lone 1 28 - 3 - HB2 ARG 53 - HE3 LYS 109 lone 1 81 - 1 - HB2 ARG 53 - HE2 LYS 109 lone 1 81 - 1 - HB3 LYS 46 - HD2 ARG 85 lone 1 50 - 1 - HB2 LEU 45 - HD2 ARG 85 lone 1 52 - 1 - HB2 PRO 37 - HD2 ARG 85 lone 0 34 - 1 - HB2 LYS 32 - HD2 ARG 85 lone 0 34 - 1 - HB VAL 66 - HD2 ARG 85 lone 0 46 - 1 - HG LEU 117 - HD2 ARG 85 lone 0 55 - 1 - HG3 ARG 71 - HD2 ARG 85 lone 0 54 - 0 - HB2 LEU 117 - HD2 ARG 85 lone 0 50 - 0 - HG2 ARG 71 - HD2 ARG 85 lone 0 41 - 0 - HB2 GLU 75 - HD2 ARG 85 lone 0 48 - 0 - HB2 ARG 53 - HD2 ARG 85 lone 0 38 - 0 - Peak 4957 from cnoeabs.peaks (1.77, 3.02, 41.85 ppm; 2.74 A): 4 out of 48 assignments used, quality = 1.00: * HD3 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) HD3 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) HD2 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) HD2 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) HD3 LYS 109 - HD2 ARG 85 OK 16 55 - 29 - 3.0/4928=2, 4949=2...(13) HD2 LYS 109 - HD2 ARG 85 OK 16 55 - 28 - 3.0/4928=2, 4949=2...(13) HB3 LYS 46 - HE3 LYS 109 OK 12 93 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HB3 LYS 46 - HE2 LYS 109 OK 12 93 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HG3 PRO 30 - HE3 LYS 109 lone 6 100 - 6 - HG3 PRO 30 - HE2 LYS 109 lone 6 100 - 6 - HB2 PRO 37 - HE2 LYS 109 lone 4 81 - 5 - HB2 PRO 37 - HE3 LYS 109 lone 4 81 - 5 - HG2 GLN 42 - HE2 LYS 109 lone 3 99 - 3 - HG2 GLN 42 - HE3 LYS 109 lone 3 99 - 3 - HB2 LEU 117 - HE3 LYS 109 lone 3 99 - 3 - HB2 LEU 117 - HE2 LYS 109 lone 3 99 - 3 - HG LEU 117 - HE2 LYS 109 lone 3 100 - 3 - HG LEU 117 - HE3 LYS 109 lone 3 100 - 3 - HB2 LEU 45 - HE3 LYS 109 lone 2 96 - 2 - HB2 LEU 45 - HE2 LYS 109 lone 2 96 - 2 - HB2 LYS 32 - HE2 LYS 109 lone 2 81 - 2 - HB2 LYS 32 - HE3 LYS 109 lone 2 81 - 2 - HB2 GLU 75 - HE3 LYS 109 lone 1 97 - 1 - HB2 GLU 75 - HE2 LYS 109 lone 1 97 - 1 - HG3 ARG 71 - HE2 LYS 109 lone 1 98 - 1 - HG3 ARG 71 - HE3 LYS 109 lone 1 98 - 1 - HG2 GLN 42 - HD2 ARG 85 lone 1 54 - 2 - HG3 PRO 30 - HD2 ARG 85 lone 1 55 - 2 - HB VAL 66 - HE3 LYS 109 lone 1 87 - 1 - HB VAL 66 - HE2 LYS 109 lone 1 87 - 1 - HG2 ARG 71 - HE2 LYS 109 lone 1 78 - 1 - HG2 ARG 71 - HE3 LYS 109 lone 1 78 - 1 - HB2 ARG 53 - HE2 LYS 109 lone 1 73 - 1 - HB2 ARG 53 - HE3 LYS 109 lone 1 73 - 1 - HB3 LYS 46 - HD2 ARG 85 lone 1 47 - 1 - HB2 PRO 37 - HD2 ARG 85 lone 1 38 - 1 - HB2 LEU 45 - HD2 ARG 85 lone 1 49 - 1 - HB2 LYS 32 - HD2 ARG 85 lone 0 38 - 1 - HB3 GLU 56 - HE3 LYS 109 lone 0 65 - 0 - HB3 GLU 56 - HE2 LYS 109 lone 0 65 - 0 - HB VAL 66 - HD2 ARG 85 lone 0 42 - 1 - HG LEU 117 - HD2 ARG 85 lone 0 55 - 1 - HB2 LEU 117 - HD2 ARG 85 lone 0 52 - 0 - HG3 ARG 71 - HD2 ARG 85 lone 0 52 - 0 - HB2 GLU 75 - HD2 ARG 85 lone 0 51 - 0 - HG2 ARG 71 - HD2 ARG 85 lone 0 37 - 0 - HB2 ARG 53 - HD2 ARG 85 lone 0 34 - 0 - HB3 GLU 56 - HD2 ARG 85 lone 0 29 - 0 - Peak 4958 from cnoeabs.peaks (3.02, 3.02, 41.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 109 + HE3 LYS 109 OK 100 100 - 100 * HE2 LYS 109 + HE2 LYS 109 OK 100 100 - 100 HD2 ARG 85 + HD2 ARG 85 OK 51 51 - 100 Peak 4959 from cnoeabs.peaks (3.02, 3.02, 41.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 109 + HE3 LYS 109 OK 100 100 - 100 HE2 LYS 109 + HE2 LYS 109 OK 100 100 - 100 HD2 ARG 85 + HD2 ARG 85 OK 51 51 - 100 Reference assignment not found: HE3 LYS 109 - HE2 LYS 109 Peak 4961 from cnoeabs.peaks (4.05, 3.02, 41.85 ppm; 4.38 A): 4 out of 21 assignments used, quality = 1.00: HA LYS 109 + HE2 LYS 109 OK 91 100 - 91 - 6.1=37, 4911/3.5=11...(33) * HA LYS 109 + HE3 LYS 109 OK 91 100 - 91 - 6.1=37, 4911/3.5=11...(33) HA TYR 102 + HE3 LYS 109 OK 65 99 - 66 - 4688/1.8=10, 4688=10...(23) HA TYR 102 + HE2 LYS 109 OK 65 99 - 66 - 4688/1.8=10, 4688=10...(23) HA LYS 109 - HD2 ARG 85 OK 31 55 - 56 - 4888=6, 2.9/4908=6...(24) HD3 PRO 37 - HE3 LYS 109 OK 20 98 - 20 - 4921/3.5=3, 4891/4.7=3...(7) HD3 PRO 37 - HE2 LYS 109 OK 20 98 - 20 - 4921/3.5=3, 4891/4.7=3...(7) HA LEU 55 - HE2 LYS 109 OK 14 100 - 14 - 7012/3.5=3, 4921/3.5=2...(6) HA LEU 55 - HE3 LYS 109 OK 14 100 - 14 - 7012/3.5=3, 4921/3.5=2...(6) HA SER 112 - HE2 LYS 109 OK 13 99 - 14 - 4891/4.7=3, 4901/4.7=3...(7) HA SER 112 - HE3 LYS 109 OK 13 99 - 14 - 4891/4.7=3, 4901/4.7=3...(7) HA SER 44 - HE2 LYS 109 OK 11 92 - 12 - 4921/3.5=2, 4891/4.7=1...(7) HA SER 44 - HE3 LYS 109 OK 11 92 - 12 - 4921/3.5=2, 4891/4.7=1...(7) HA TYR 102 - HD2 ARG 85 poor 9 54 - 17 - 4688=3, 2.9/1280=2...(6) HA GLN 16 - HE3 LYS 109 lone 5 83 - 6 - HA GLN 16 - HE2 LYS 109 lone 5 83 - 6 - HA SER 44 - HD2 ARG 85 lone 2 46 - 4 - ~6823=1 HA SER 112 - HD2 ARG 85 lone 2 54 - 3 - 6225/2.9=1 HA GLN 16 - HD2 ARG 85 lone 2 39 - 4 - HD3 PRO 37 - HD2 ARG 85 lone 2 52 - 3 - HA LEU 55 - HD2 ARG 85 lone 2 55 - 3 - Peak 4962 from cnoeabs.peaks (1.94, 3.02, 41.85 ppm; 3.47 A): 6 out of 51 assignments used, quality = 1.00: * HB2 LYS 109 + HE3 LYS 109 OK 84 100 - 84 - 4.7=41, 2.9/4955=9...(30) HB2 LYS 109 + HE2 LYS 109 OK 84 100 - 84 - 4.7=41, 2.9/4955=9...(30) HB3 ARG 85 + HE2 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB3 ARG 85 + HE3 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB2 ARG 85 + HE2 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB2 ARG 85 + HE3 LYS 109 OK 48 97 - 49 - 3.0/4312=5, 3.9/4328=5...(24) HB2 ARG 85 - HD2 ARG 85 OK 43 51 - 84 - 3.9=72, 3.0/4280=9...(12) HB3 ARG 85 - HD2 ARG 85 OK 43 51 - 84 - 3.9=72, 3.0/4280=9...(12) HB2 LYS 109 - HD2 ARG 85 OK 26 55 - 48 - 4324/1.8=5, 8712/2.9=5...(21) HG LEU 58 - HE2 LYS 109 OK 25 100 - 25 - 4922/3.5=3, 3370/4.7=3...(12) HG LEU 58 - HE3 LYS 109 OK 25 100 - 25 - 4922/3.5=3, 3370/4.7=3...(12) HB3 LYS 119 - HE2 LYS 109 OK 15 99 - 15 - 4922/3.5=2, 4902/4.7=2...(6) HB3 LYS 119 - HE3 LYS 109 OK 15 99 - 15 - 4922/3.5=2, 4902/4.7=2...(6) HB3 PRO 30 - HE3 LYS 109 OK 10 97 - 11 - 4922/3.5=1 HB3 PRO 30 - HE2 LYS 109 OK 10 97 - 11 - 4922/3.5=1 HB ILE 80 - HE3 LYS 109 lone 6 92 - 6 - 3.2/7414=2, ~7414=1 HB ILE 80 - HE2 LYS 109 lone 6 92 - 6 - 3.2/7414=2, ~7414=1 HG LEU 58 - HD2 ARG 85 poor 5 54 - 10 - 4324/1.8=1, ~4326=1 HB2 GLU 38 - HD2 ARG 85 lone 4 55 - 7 - ~6007=1 HB2 GLU 38 - HE2 LYS 109 lone 2 100 - 2 - HB2 GLU 38 - HE3 LYS 109 lone 2 100 - 2 - HB3 GLU 64 - HE2 LYS 109 lone 2 100 - 2 - HB3 GLU 64 - HE3 LYS 109 lone 2 100 - 2 - HB2 GLU 64 - HE2 LYS 109 lone 2 100 - 2 - HB2 GLU 64 - HE3 LYS 109 lone 2 100 - 2 - HB2 GLU 64 - HD2 ARG 85 lone 2 55 - 4 - HB3 GLU 64 - HD2 ARG 85 lone 2 55 - 4 - HB2 LEU 21 - HE3 LYS 109 lone 2 97 - 2 - HB2 LEU 21 - HE2 LYS 109 lone 2 97 - 2 - HB3 LYS 119 - HD2 ARG 85 lone 2 54 - 3 - HB3 PRO 30 - HD2 ARG 85 lone 2 51 - 3 - HB3 GLU 94 - HD2 ARG 85 lone 2 45 - 3 - HB2 LEU 21 - HD2 ARG 85 lone 1 50 - 3 - HB3 GLU 69 - HE3 LYS 109 lone 1 99 - 1 - HB3 GLU 69 - HE2 LYS 109 lone 1 99 - 1 - HB ILE 22 - HE3 LYS 109 lone 1 63 - 2 - HB ILE 22 - HE2 LYS 109 lone 1 63 - 2 - HB3 GLU 94 - HE2 LYS 109 lone 1 90 - 1 - HB3 GLU 94 - HE3 LYS 109 lone 1 90 - 1 - HB3 GLU 73 - HE3 LYS 109 lone 1 68 - 2 - HB3 GLU 73 - HE2 LYS 109 lone 1 68 - 2 - HB ILE 80 - HD2 ARG 85 lone 1 46 - 2 - HB3 MET 11 - HE2 LYS 109 lone 1 81 - 1 - HB3 MET 11 - HE3 LYS 109 lone 1 81 - 1 - HB ILE 22 - HD2 ARG 85 lone 1 28 - 2 - 5479/6.2=2 HB3 GLU 69 - HD2 ARG 85 lone 1 54 - 1 - HB2 ARG 81 - HE3 LYS 109 lone 1 60 - 1 - HB2 ARG 81 - HE2 LYS 109 lone 1 60 - 1 - HB2 ARG 81 - HD2 ARG 85 lone 0 27 - 1 - HB3 GLU 73 - HD2 ARG 85 lone 0 31 - 1 - HB3 MET 11 - HD2 ARG 85 lone 0 38 - 0 - Peak 4963 from cnoeabs.peaks (1.86, 3.02, 41.85 ppm; 3.81 A): 2 out of 39 assignments used, quality = 0.99: * HB3 LYS 109 + HE3 LYS 109 OK 91 100 - 91 - 4.7=54, 2.9/4955=10...(34) HB3 LYS 109 + HE2 LYS 109 OK 91 100 - 91 - 4.7=54, 2.9/4955=10...(34) HB2 LEU 58 - HE3 LYS 109 OK 34 99 - 35 - 4923/3.5=6, 4893/4.7=4...(14) HB2 LEU 58 - HE2 LYS 109 OK 34 99 - 35 - 4923/3.5=6, 4893/4.7=4...(14) HB3 LYS 109 - HD2 ARG 85 OK 33 55 - 60 - 4908=7, 1.8/4898=5...(29) HB2 LYS 119 - HE2 LYS 109 OK 16 85 - 19 - 4923/3.5=3, 4893/4.7=2...(6) HB2 LYS 119 - HE3 LYS 109 OK 16 85 - 19 - 4923/3.5=3, 4893/4.7=2...(6) HB3 LYS 31 - HE3 LYS 109 poor 9 85 - 11 - 4923/3.5=2, 2420/3.5=1...(5) HB3 LYS 31 - HE2 LYS 109 poor 9 85 - 11 - 4923/3.5=2, 2420/3.5=1...(5) HB2 LEU 58 - HD2 ARG 85 poor 8 54 - 15 - ~4326=2, 3357/3.0=1, ~4310=1 HG3 PRO 68 - HE3 LYS 109 lone 6 100 - 6 - HG3 PRO 68 - HE2 LYS 109 lone 6 100 - 6 - HB2 ARG 92 - HD2 ARG 85 lone 5 51 - 10 - 4422/2.9=1, ~4326=1 HG LEU 55 - HE3 LYS 109 lone 5 87 - 6 - HG LEU 55 - HE2 LYS 109 lone 5 87 - 6 - HB2 ARG 92 - HE3 LYS 109 lone 4 97 - 4 - HB2 ARG 92 - HE2 LYS 109 lone 4 97 - 4 - HG12 ILE 22 - HE2 LYS 109 lone 3 89 - 4 - HG12 ILE 22 - HE3 LYS 109 lone 3 89 - 4 - HB3 GLU 28 - HE3 LYS 109 lone 3 100 - 3 - HB3 GLU 28 - HE2 LYS 109 lone 3 100 - 3 - HG3 PRO 68 - HD2 ARG 85 lone 3 55 - 5 - HB VAL 50 - HE3 LYS 109 lone 2 85 - 2 - HB VAL 50 - HE2 LYS 109 lone 2 85 - 2 - HG3 GLU 73 - HE3 LYS 109 lone 2 71 - 3 - HG3 GLU 73 - HE2 LYS 109 lone 2 71 - 3 - HB2 LYS 119 - HD2 ARG 85 lone 2 41 - 5 - HG2 GLU 73 - HE3 LYS 109 lone 2 68 - 3 - HG2 GLU 73 - HE2 LYS 109 lone 2 68 - 3 - HG LEU 84 - HE2 LYS 109 lone 2 78 - 2 - HG LEU 84 - HE3 LYS 109 lone 2 78 - 2 - HG LEU 84 - HD2 ARG 85 lone 1 37 - 4 - 5766/6.2=3 HB3 LYS 31 - HD2 ARG 85 lone 1 41 - 3 - HB3 GLU 28 - HD2 ARG 85 lone 1 55 - 1 - HG LEU 55 - HD2 ARG 85 lone 1 42 - 1 - HG12 ILE 22 - HD2 ARG 85 lone 1 43 - 1 - HB VAL 50 - HD2 ARG 85 lone 0 41 - 1 - HG3 GLU 73 - HD2 ARG 85 lone 0 32 - 1 - HG2 GLU 73 - HD2 ARG 85 lone 0 31 - 1 - Peak 4964 from cnoeabs.peaks (1.48, 3.02, 41.85 ppm; 3.21 A): 2 out of 42 assignments used, quality = 0.99: HG2 LYS 109 + HE2 LYS 109 OK 93 100 - 93 - 3.5=76, 1.8/4965=10...(35) * HG2 LYS 109 + HE3 LYS 109 OK 93 100 - 93 - 3.5=76, 1.8/4965=10...(35) HG2 ARG 85 - HD2 ARG 85 OK 42 42 - 100 - 3.0=100 HG2 ARG 85 - HE2 LYS 109 OK 41 87 - 47 - 1.8/4312=6, 3.0/4328=6...(19) HG2 ARG 85 - HE3 LYS 109 OK 41 87 - 47 - 1.8/4312=6, 3.0/4328=6...(19) HB3 LEU 58 - HE3 LYS 109 OK 24 99 - 24 - 4924/3.5=3, 4904/4.7=2...(12) HB3 LEU 58 - HE2 LYS 109 OK 24 99 - 24 - 4924/3.5=3, 4904/4.7=2...(12) HG2 LYS 109 - HD2 ARG 85 OK 24 55 - 43 - 4326/1.8=5, 1.8/4929=5...(23) HD2 LYS 46 - HE2 LYS 109 OK 18 78 - 23 - 4924/3.5=2, 1.8/4965=2...(12) HD2 LYS 46 - HE3 LYS 109 OK 18 78 - 23 - 4924/3.5=2, 1.8/4965=2...(12) HG2 LYS 119 - HE2 LYS 109 poor 9 83 - 11 - 4924/3.5=1, 4894/4.7=1 HG2 LYS 119 - HE3 LYS 109 poor 9 83 - 11 - 4924/3.5=1, 4894/4.7=1 HG3 LYS 31 - HE2 LYS 109 lone 6 89 - 7 - 4924/3.5=1 HG3 LYS 31 - HE3 LYS 109 lone 6 89 - 7 - 4924/3.5=1 HB3 LEU 58 - HD2 ARG 85 poor 6 53 - 11 - 4326/1.8=1, 4310/3.0=1 HG3 ARG 57 - HD2 ARG 85 poor 5 48 - 11 - 3329/1.8=3, ~3321=2...(4) QB ALA 14 - HE3 LYS 109 lone 4 92 - 4 - QB ALA 14 - HE2 LYS 109 lone 4 92 - 4 - HB3 LEU 114 - HD2 ARG 85 lone 4 39 - 9 - 4326/1.8=1, 5070/2.9=1 HB2 LEU 24 - HD2 ARG 85 lone 3 31 - 9 - ~6469=2, 4326/1.8=1 HG3 ARG 92 - HD2 ARG 85 lone 3 28 - 9 - 4326/1.8=1, ~4326=1 HG LEU 91 - HD2 ARG 85 lone 3 52 - 5 - HG LEU 91 - HE3 LYS 109 lone 2 98 - 2 - HG LEU 91 - HE2 LYS 109 lone 2 98 - 2 - HG LEU 93 - HE2 LYS 109 lone 2 96 - 2 - HG LEU 93 - HE3 LYS 109 lone 2 96 - 2 - HB2 LEU 93 - HE2 LYS 109 lone 2 92 - 2 - HB2 LEU 93 - HE3 LYS 109 lone 2 92 - 2 - HG LEU 93 - HD2 ARG 85 lone 2 49 - 4 - HG3 ARG 57 - HE2 LYS 109 lone 2 95 - 2 - HG3 ARG 57 - HE3 LYS 109 lone 2 95 - 2 - QB ALA 14 - HD2 ARG 85 lone 2 46 - 4 - HB3 LEU 114 - HE2 LYS 109 lone 2 83 - 2 - HB3 LEU 114 - HE3 LYS 109 lone 2 83 - 2 - HG3 ARG 92 - HE2 LYS 109 lone 1 63 - 2 - HG3 ARG 92 - HE3 LYS 109 lone 1 63 - 2 - HB2 LEU 24 - HE3 LYS 109 lone 1 68 - 2 - HB2 LEU 24 - HE2 LYS 109 lone 1 68 - 2 - HB2 LEU 93 - HD2 ARG 85 lone 1 46 - 3 - HG2 LYS 119 - HD2 ARG 85 lone 1 39 - 2 - HG3 LYS 31 - HD2 ARG 85 lone 1 43 - 2 - HD2 LYS 46 - HD2 ARG 85 lone 1 37 - 2 - Peak 4965 from cnoeabs.peaks (1.55, 3.02, 41.85 ppm; 3.26 A): 2 out of 15 assignments used, quality = 1.00: HG3 LYS 109 + HE2 LYS 109 OK 94 100 - 94 - 3.5=80, 4945/3.0=9...(36) * HG3 LYS 109 + HE3 LYS 109 OK 94 100 - 94 - 3.5=80, 4945/3.0=9...(36) HG3 LYS 109 - HD2 ARG 85 OK 26 55 - 48 - 4928=6, 4924/3.0=4...(24) HD3 LYS 46 - HE3 LYS 109 OK 21 81 - 26 - 4915/3.5=3, 4905/4.7=3...(9) HD3 LYS 46 - HE2 LYS 109 OK 21 81 - 26 - 4915/3.5=3, 4905/4.7=3...(9) HB3 LYS 65 - HE2 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HB3 LYS 65 - HE3 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HB2 LYS 65 - HE2 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HB2 LYS 65 - HE3 LYS 109 OK 11 100 - 11 - 4895/4.7=2, 4905/4.7=2...(5) HG12 ILE 124 - HE2 LYS 109 lone 5 100 - 5 - HG12 ILE 124 - HE3 LYS 109 lone 5 100 - 5 - HB2 LYS 65 - HD2 ARG 85 lone 1 54 - 3 - HB3 LYS 65 - HD2 ARG 85 lone 1 54 - 3 - HD3 LYS 46 - HD2 ARG 85 lone 1 38 - 2 - HG12 ILE 124 - HD2 ARG 85 lone 0 55 - 1 - Peak 4966 from cnoeabs.peaks (1.76, 3.02, 41.85 ppm; 2.74 A): 4 out of 48 assignments used, quality = 1.00: HD2 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) * HD2 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) HD3 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) HD3 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) HD2 LYS 109 - HD2 ARG 85 OK 16 55 - 28 - 3.0/4928=2, 4949=2...(13) HD3 LYS 109 - HD2 ARG 85 OK 16 55 - 28 - 3.0/4928=2, 4948=2...(13) HB3 LYS 46 - HE3 LYS 109 OK 13 97 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HB3 LYS 46 - HE2 LYS 109 OK 13 97 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HG3 PRO 30 - HE2 LYS 109 lone 6 100 - 6 - HG3 PRO 30 - HE3 LYS 109 lone 6 100 - 6 - HB2 PRO 37 - HE3 LYS 109 lone 4 73 - 5 - HB2 PRO 37 - HE2 LYS 109 lone 4 73 - 5 - HG2 GLN 42 - HE2 LYS 109 lone 3 100 - 3 - HG2 GLN 42 - HE3 LYS 109 lone 3 100 - 3 - HB2 LEU 117 - HE2 LYS 109 lone 3 97 - 3 - HB2 LEU 117 - HE3 LYS 109 lone 3 97 - 3 - HG LEU 117 - HE3 LYS 109 lone 3 100 - 3 - HG LEU 117 - HE2 LYS 109 lone 3 100 - 3 - HB2 LEU 45 - HE2 LYS 109 lone 2 98 - 2 - HB2 LEU 45 - HE3 LYS 109 lone 2 98 - 2 - HB2 LYS 32 - HE2 LYS 109 lone 2 73 - 2 - HB2 LYS 32 - HE3 LYS 109 lone 2 73 - 2 - HG3 ARG 71 - HE3 LYS 109 lone 1 99 - 1 - HG3 ARG 71 - HE2 LYS 109 lone 1 99 - 1 - HB2 GLU 75 - HE2 LYS 109 lone 1 95 - 1 - HB2 GLU 75 - HE3 LYS 109 lone 1 95 - 1 - HG2 GLN 42 - HD2 ARG 85 lone 1 55 - 2 - HG3 PRO 30 - HD2 ARG 85 lone 1 55 - 2 - HB VAL 66 - HE3 LYS 109 lone 1 92 - 1 - HB VAL 66 - HE2 LYS 109 lone 1 92 - 1 - HG2 ARG 71 - HE2 LYS 109 lone 1 85 - 1 - HG2 ARG 71 - HE3 LYS 109 lone 1 85 - 1 - HB2 LEU 91 - HE2 LYS 109 lone 1 63 - 1 - HB2 LEU 91 - HE3 LYS 109 lone 1 63 - 1 - HB2 LEU 91 - HD2 ARG 85 lone 1 28 - 3 - HB2 ARG 53 - HE3 LYS 109 lone 1 81 - 1 - HB2 ARG 53 - HE2 LYS 109 lone 1 81 - 1 - HB3 LYS 46 - HD2 ARG 85 lone 1 50 - 1 - HB2 LEU 45 - HD2 ARG 85 lone 1 52 - 1 - HB2 PRO 37 - HD2 ARG 85 lone 0 34 - 1 - HB2 LYS 32 - HD2 ARG 85 lone 0 34 - 1 - HB VAL 66 - HD2 ARG 85 lone 0 46 - 1 - HG LEU 117 - HD2 ARG 85 lone 0 55 - 1 - HG3 ARG 71 - HD2 ARG 85 lone 0 54 - 0 - HB2 LEU 117 - HD2 ARG 85 lone 0 50 - 0 - HG2 ARG 71 - HD2 ARG 85 lone 0 41 - 0 - HB2 GLU 75 - HD2 ARG 85 lone 0 48 - 0 - HB2 ARG 53 - HD2 ARG 85 lone 0 38 - 0 - Peak 4967 from cnoeabs.peaks (1.77, 3.02, 41.85 ppm; 2.74 A): 4 out of 48 assignments used, quality = 1.00: HD3 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) * HD3 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4955=5...(18) HD2 LYS 109 + HE3 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) HD2 LYS 109 + HE2 LYS 109 OK 86 100 - 86 - 3.0=77, 3.0/4965=5...(18) HD3 LYS 109 - HD2 ARG 85 OK 16 55 - 29 - 3.0/4928=2, 4949=2...(13) HD2 LYS 109 - HD2 ARG 85 OK 16 55 - 28 - 3.0/4928=2, 4949=2...(13) HB3 LYS 46 - HE3 LYS 109 OK 12 93 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HB3 LYS 46 - HE2 LYS 109 OK 12 93 - 13 - 4926/3.5=2, 4916/3.5=1...(4) HG3 PRO 30 - HE3 LYS 109 lone 6 100 - 6 - HG3 PRO 30 - HE2 LYS 109 lone 6 100 - 6 - HB2 PRO 37 - HE2 LYS 109 lone 4 81 - 5 - HB2 PRO 37 - HE3 LYS 109 lone 4 81 - 5 - HG2 GLN 42 - HE2 LYS 109 lone 3 99 - 3 - HG2 GLN 42 - HE3 LYS 109 lone 3 99 - 3 - HB2 LEU 117 - HE3 LYS 109 lone 3 99 - 3 - HB2 LEU 117 - HE2 LYS 109 lone 3 99 - 3 - HG LEU 117 - HE2 LYS 109 lone 3 100 - 3 - HG LEU 117 - HE3 LYS 109 lone 3 100 - 3 - HB2 LEU 45 - HE3 LYS 109 lone 2 96 - 2 - HB2 LEU 45 - HE2 LYS 109 lone 2 96 - 2 - HB2 LYS 32 - HE2 LYS 109 lone 2 81 - 2 - HB2 LYS 32 - HE3 LYS 109 lone 2 81 - 2 - HB2 GLU 75 - HE3 LYS 109 lone 1 97 - 1 - HB2 GLU 75 - HE2 LYS 109 lone 1 97 - 1 - HG3 ARG 71 - HE2 LYS 109 lone 1 98 - 1 - HG3 ARG 71 - HE3 LYS 109 lone 1 98 - 1 - HG2 GLN 42 - HD2 ARG 85 lone 1 54 - 2 - HG3 PRO 30 - HD2 ARG 85 lone 1 55 - 2 - HB VAL 66 - HE3 LYS 109 lone 1 87 - 1 - HB VAL 66 - HE2 LYS 109 lone 1 87 - 1 - HG2 ARG 71 - HE2 LYS 109 lone 1 78 - 1 - HG2 ARG 71 - HE3 LYS 109 lone 1 78 - 1 - HB2 ARG 53 - HE2 LYS 109 lone 1 73 - 1 - HB2 ARG 53 - HE3 LYS 109 lone 1 73 - 1 - HB3 LYS 46 - HD2 ARG 85 lone 1 47 - 1 - HB2 PRO 37 - HD2 ARG 85 lone 1 38 - 1 - HB2 LEU 45 - HD2 ARG 85 lone 1 49 - 1 - HB2 LYS 32 - HD2 ARG 85 lone 0 38 - 1 - HB3 GLU 56 - HE3 LYS 109 lone 0 65 - 0 - HB3 GLU 56 - HE2 LYS 109 lone 0 65 - 0 - HB VAL 66 - HD2 ARG 85 lone 0 42 - 1 - HG LEU 117 - HD2 ARG 85 lone 0 55 - 1 - HB2 LEU 117 - HD2 ARG 85 lone 0 52 - 0 - HG3 ARG 71 - HD2 ARG 85 lone 0 52 - 0 - HB2 GLU 75 - HD2 ARG 85 lone 0 51 - 0 - HG2 ARG 71 - HD2 ARG 85 lone 0 37 - 0 - HB2 ARG 53 - HD2 ARG 85 lone 0 34 - 0 - HB3 GLU 56 - HD2 ARG 85 lone 0 29 - 0 - Peak 4968 from cnoeabs.peaks (3.02, 3.02, 41.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 109 + HE3 LYS 109 OK 100 100 - 100 HE2 LYS 109 + HE2 LYS 109 OK 100 100 - 100 HD2 ARG 85 + HD2 ARG 85 OK 51 51 - 100 Reference assignment not found: HE2 LYS 109 - HE3 LYS 109 Peak 4969 from cnoeabs.peaks (3.02, 3.02, 41.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 109 + HE3 LYS 109 OK 100 100 - 100 HE2 LYS 109 + HE2 LYS 109 OK 100 100 - 100 HD2 ARG 85 + HD2 ARG 85 OK 51 51 - 100 Peak 4970 from cnoeabs.peaks (6.79, 2.98, 64.26 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 110 + HA VAL 110 OK 100 100 - 100 - 3.0=100 QE TYR 67 - HA VAL 110 OK 40 100 - 40 - 4985/3.2=7, 4975/3.0=7...(10) HH2 TRP 20 - HA VAL 110 OK 28 100 - 28 - 4980/3.2=4, 4985/3.2=4...(11) HE21 GLN 42 - HA VAL 110 poor 7 71 - 10 - 560/3.5=2, 4985/3.2=2...(5) HD22 ASN 99 - HA VAL 110 lone 5 65 - 7 - 4.4/6182=2 Peak 4971 from cnoeabs.peaks (2.98, 2.98, 64.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 110 + HA VAL 110 OK 100 100 - 100 Peak 4972 from cnoeabs.peaks (1.39, 2.98, 64.26 ppm; 4.09 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 110 + HA VAL 110 OK 100 100 - 100 - 3.0=100 HB2 LEU 111 + HA VAL 110 OK 68 100 - 68 - 4997/3.5=16, 4.6/1753=10...(18) HB2 LEU 51 - HA VAL 110 OK 29 68 - 42 - ~7876=7, 3.1/4973=6...(19) QG2 THR 121 - HA VAL 110 OK 23 89 - 26 - 5308/3.5=9, 8073/3.0=8...(5) HB3 LEU 93 - HA VAL 110 OK 21 97 - 22 - 3.8/7851=3, 1339/3.5=3...(6) HG2 LYS 31 - HA VAL 110 OK 19 76 - 25 - 2433=3, 2.9/2424=3...(14) QB ALA 98 - HA VAL 110 OK 18 60 - 31 - 7668/3.2=4, 2.1/6213=4...(12) HB2 LEU 27 - HA VAL 110 OK 16 100 - 16 - 4982/3.2=2, 4987/3.2=2...(7) HG LEU 59 - HA VAL 110 lone 8 99 - 8 - ~7874=1, 4982/3.2=1 QB ALA 122 - HA VAL 110 lone 6 85 - 7 - 562/3.5=1, ~627=1 Peak 4973 from cnoeabs.peaks (0.14, 2.98, 64.26 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 110 + HA VAL 110 OK 100 100 - 100 - 3.2=100 QD2 LEU 84 - HA VAL 110 OK 42 100 - 42 - 4988/3.2=7, 4978/3.0=6...(14) QD2 LEU 51 - HA VAL 110 OK 31 83 - 37 - ~7876=7, 4988/3.2=5...(13) Peak 4974 from cnoeabs.peaks (0.01, 2.98, 64.26 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 110 + HA VAL 110 OK 100 100 - 100 - 3.2=100 Peak 4975 from cnoeabs.peaks (6.79, 1.39, 29.93 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.95: * H VAL 110 + HB VAL 110 OK 93 100 - 93 - 4.0=81, 1336/2.1=41...(7) QE TYR 67 + HB VAL 110 OK 36 100 - 36 - 4985/2.1=8, 4980/2.1=8...(8) HH2 TRP 20 - HB VAL 110 OK 22 100 - 22 - 4980/2.1=5, 4985/2.1=5...(5) HE21 GLN 42 - HB VAL 110 poor 7 71 - 10 - 4985/2.1=2, 4980/2.1=2...(4) HD22 ASN 99 - HB VAL 110 lone 4 65 - 6 - 4985/2.1=1 Peak 4976 from cnoeabs.peaks (2.98, 1.39, 29.93 ppm; 4.58 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 110 + HB VAL 110 OK 100 100 - 100 - 3.0=100 HB2 ASN 12 - HB VAL 110 OK 37 100 - 37 - 4986/2.1=7, 4981/2.1=6...(12) HB3 TYR 102 - HB VAL 110 OK 36 92 - 39 - 2.5/4744=6, 4986/2.1=6...(11) HE2 LYS 31 - HB VAL 110 OK 29 96 - 30 - 4986/2.1=4, 4981/2.1=4...(13) HE3 LYS 31 - HB VAL 110 OK 29 96 - 30 - 4986/2.1=4, 4981/2.1=4...(13) Peak 4977 from cnoeabs.peaks (1.39, 1.39, 29.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 110 + HB VAL 110 OK 100 100 - 100 Peak 4978 from cnoeabs.peaks (0.14, 1.39, 29.93 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 110 + HB VAL 110 OK 100 100 - 100 - 2.1=100 QD2 LEU 84 + HB VAL 110 OK 46 100 - 46 - 4988/2.1=10, 4973/3.0=7...(14) QD2 LEU 51 - HB VAL 110 OK 38 83 - 46 - ~7876=10, 4988/2.1=7...(16) Peak 4979 from cnoeabs.peaks (0.01, 1.39, 29.93 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 110 + HB VAL 110 OK 100 100 - 100 - 2.1=100 Peak 4980 from cnoeabs.peaks (6.79, 0.14, 19.30 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.95: * H VAL 110 + QG1 VAL 110 OK 91 100 - 91 - 4.0=77, 1336/2.1=41...(6) QE TYR 67 + QG1 VAL 110 OK 38 100 - 38 - 4985/2.1=8, 4975/2.1=8...(9) HH2 TRP 20 - QG1 VAL 110 OK 24 100 - 24 - 4985/2.1=5, 4975/2.1=5...(7) HE21 GLN 42 - QG1 VAL 110 poor 8 71 - 12 - 4985/2.1=2, 560/4.3=2...(4) HD22 ASN 99 - QG1 VAL 110 lone 4 65 - 6 - 4985/2.1=1 Peak 4981 from cnoeabs.peaks (2.98, 0.14, 19.30 ppm; 3.29 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 110 + QG1 VAL 110 OK 100 100 - 100 - 3.2=100 HB2 ASN 12 - QG1 VAL 110 OK 22 100 - 22 - 4986/2.1=4, ~7870=3...(9) HB3 TYR 102 - QG1 VAL 110 OK 22 92 - 24 - 4986/2.1=4, 2.5/7858=3...(10) HE2 LYS 31 - QG1 VAL 110 OK 15 96 - 16 - 4986/2.1=3, 4976/2.1=2...(6) HE3 LYS 31 - QG1 VAL 110 OK 15 96 - 16 - 4986/2.1=3, 4976/2.1=2...(6) Peak 4982 from cnoeabs.peaks (1.39, 0.14, 19.30 ppm; 3.11 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 110 + QG1 VAL 110 OK 100 100 - 100 - 2.1=100 HB2 LEU 111 + QG1 VAL 110 OK 48 100 - 48 - 3.0/7916=10, 3.8/5878=8...(13) HB2 LEU 51 - QG1 VAL 110 OK 25 68 - 37 - 3.1/7876=11, 1.8/3086=4...(15) HB3 LEU 93 - QG1 VAL 110 OK 18 97 - 19 - 3.8/7857=3, 3.1/7874=2...(6) HB2 LEU 27 - QG1 VAL 110 OK 17 100 - 17 - 1.8/7873=3, 4987/2.1=2...(4) QG2 THR 121 - QG1 VAL 110 OK 16 89 - 18 - 5308/4.3=4, 8073/4.0=3...(5) HG2 LYS 31 - QG1 VAL 110 OK 11 76 - 14 - 3.8/4981=2, 3.8/4981=2...(5) QB ALA 98 - QG1 VAL 110 poor 9 60 - 16 - 2.1/7670=2, 7668=2...(6) HG LEU 59 - QG1 VAL 110 lone 7 99 - 7 - 2.1/7874=1 QB ALA 122 - QG1 VAL 110 lone 4 85 - 4 - Peak 4983 from cnoeabs.peaks (0.14, 0.14, 19.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 110 + QG1 VAL 110 OK 100 100 - 100 Peak 4984 from cnoeabs.peaks (0.01, 0.14, 19.30 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 110 + QG1 VAL 110 OK 100 100 - 100 - 2.1=100 Peak 4985 from cnoeabs.peaks (6.79, 0.01, 19.30 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.93: * H VAL 110 + QG2 VAL 110 OK 89 100 - 89 - 4.0=67, 1335/2.1=18...(9) QE TYR 67 + QG2 VAL 110 OK 38 100 - 38 - 4980/2.1=7, 4975/2.1=7...(12) HH2 TRP 20 - QG2 VAL 110 OK 23 100 - 23 - 4980/2.1=5, 4975/2.1=4...(7) HE21 GLN 42 - QG2 VAL 110 OK 10 71 - 15 - 6789/7709=2, 4980/2.1=2...(6) HD22 ASN 99 - QG2 VAL 110 lone 5 65 - 7 - 6193/7811=1 Peak 4986 from cnoeabs.peaks (2.98, 0.01, 19.30 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 110 + QG2 VAL 110 OK 100 100 - 100 - 3.2=100 HB2 ASN 12 - QG2 VAL 110 OK 31 100 - 31 - 1.8/7870=6, 4981/2.1=5...(14) HB3 TYR 102 - QG2 VAL 110 OK 26 92 - 28 - 4981/2.1=5, 4976/2.1=4...(11) HE2 LYS 31 - QG2 VAL 110 OK 19 96 - 20 - 4981/2.1=3, 4976/2.1=3...(9) HE3 LYS 31 - QG2 VAL 110 OK 19 96 - 20 - 4981/2.1=3, 4976/2.1=3...(9) Peak 4987 from cnoeabs.peaks (1.39, 0.01, 19.30 ppm; 3.45 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 110 + QG2 VAL 110 OK 100 100 - 100 - 2.1=100 HB2 LEU 111 + QG2 VAL 110 OK 57 100 - 57 - 3.8/564=17, ~7916=7...(15) HB2 LEU 51 - QG2 VAL 110 OK 25 68 - 36 - ~7876=7, 3.1/4988=5...(15) QG2 THR 121 - QG2 VAL 110 OK 19 89 - 21 - 5308/4.3=5, 8073/4.0=4...(6) HB3 LEU 93 - QG2 VAL 110 OK 19 97 - 19 - 3.8/7860=3, 4982/2.1=3...(8) HB2 LEU 27 - QG2 VAL 110 OK 17 100 - 17 - 4982/2.1=2, 1.8/7872=2...(7) HG2 LYS 31 - QG2 VAL 110 OK 13 76 - 18 - 3.8/4986=2, 3.8/4986=2...(6) QB ALA 98 - QG2 VAL 110 OK 11 60 - 19 - 7668/2.1=3, ~7670=2...(7) HG LEU 59 - QG2 VAL 110 lone 7 99 - 7 - ~7874=1, 4982/2.1=1 QB ALA 122 - QG2 VAL 110 lone 4 85 - 5 - Peak 4988 from cnoeabs.peaks (0.14, 0.01, 19.30 ppm; 3.22 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 110 + QG2 VAL 110 OK 100 100 - 100 - 2.1=100 QD2 LEU 84 + QG2 VAL 110 OK 48 100 - 48 - 4978/2.1=7, 4973/3.2=5...(20) QD2 LEU 51 - QG2 VAL 110 OK 36 83 - 44 - ~7876=8, 4978/2.1=6...(22) Peak 4989 from cnoeabs.peaks (0.01, 0.01, 19.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 110 + QG2 VAL 110 OK 100 100 - 100 Peak 4990 from cnoeabs.peaks (7.70, 3.61, 57.62 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 111 + HA LEU 111 OK 100 100 - 100 - 2.9=100 H THR 121 - HA LEU 111 OK 34 97 - 35 - 4997/3.0=8, 5004/3.0=5...(12) H LEU 58 - HA LEU 111 OK 17 76 - 22 - 4997/3.0=3, 565/3.6=3...(8) H SER 90 - HA LEU 111 OK 10 76 - 14 - 4.5/6219=2, 565/3.6=2...(7) HE21 GLN 103 - HA LEU 111 lone 10 97 - 10 - 4997/3.0=2, 5004/3.0=1...(4) H LEU 126 - HA LEU 111 lone 3 71 - 4 - Peak 4991 from cnoeabs.peaks (3.61, 3.61, 57.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 111 + HA LEU 111 OK 100 100 - 100 Peak 4992 from cnoeabs.peaks (1.39, 3.61, 57.62 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 111 + HA LEU 111 OK 100 100 - 100 - 3.0=100 HB VAL 110 + HA LEU 111 OK 61 100 - 61 - 2.1/7916=16, 5877/2.9=15...(14) HB3 LEU 93 - HA LEU 111 OK 38 99 - 39 - 3.0/6222=4, 5006/3.0=4...(16) QG2 THR 121 - HA LEU 111 OK 33 95 - 35 - 5308/2.9=9, 8085/4.0=5...(12) HB2 LEU 27 - HA LEU 111 OK 16 99 - 16 - 5006/3.0=2, 567/3.6=1...(6) HG LEU 59 - HA LEU 111 lone 6 96 - 7 - HG2 LYS 31 - HA LEU 111 lone 6 85 - 7 - 567/3.6=1, 1339/2.9=1 QB ALA 122 - HA LEU 111 lone 5 76 - 7 - ~624=2, ~627=1 Peak 4993 from cnoeabs.peaks (1.21, 3.61, 57.62 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 111 + HA LEU 111 OK 100 100 - 100 - 3.0=100 HG LEU 77 - HA LEU 111 OK 24 83 - 29 - 5000/3.0=4, 4013/3.0=3...(12) HB2 LEU 77 - HA LEU 111 OK 23 76 - 31 - 5000/3.0=3, 5005=3...(15) QG2 VAL 18 - HA LEU 111 OK 23 99 - 23 - 568/3.6=4, 1340/2.9=3...(6) HB3 LEU 24 - HA LEU 111 OK 15 100 - 15 - 1340/2.9=2, 1.8/6222=2...(5) HG13 ILE 124 - HA LEU 111 poor 10 68 - 14 - 3.0/8418=2, ~8120=2...(5) HG2 LYS 32 - HA LEU 111 lone 8 100 - 8 - 5000/3.0=1, 1340/2.9=1 Peak 4994 from cnoeabs.peaks (0.75, 3.61, 57.62 ppm; 3.26 A): 2 out of 8 assignments used, quality = 0.94: * HG LEU 111 + HA LEU 111 OK 79 100 - 79 - 4.3=45, 2.1/5019=17...(18) QD2 LEU 111 + HA LEU 111 OK 71 87 - 82 - 4.0=53, 2.1/5019=18...(19) QD1 LEU 91 - HA LEU 111 OK 28 99 - 28 - 2.1/4995=6, 2.1/6222=4...(12) QD2 LEU 93 - HA LEU 111 OK 28 100 - 28 - 2.1/6222=4, 5001/3.0=3...(11) QD1 LEU 114 - HA LEU 111 OK 21 65 - 33 - 2.1/8418=6, 3.1/6220=6...(9) QD1 LEU 84 - HA LEU 111 OK 19 100 - 19 - 2.1/7916=6, ~563=3...(6) QG2 ILE 63 - HA LEU 111 OK 13 97 - 14 - 2.1/6220=2, 5001/3.0=2...(5) QG2 VAL 66 - HA LEU 111 lone 4 78 - 6 - Peak 4995 from cnoeabs.peaks (0.80, 3.61, 57.62 ppm; 3.40 A): 4 out of 5 assignments used, quality = 0.94: * QD1 LEU 111 + HA LEU 111 OK 86 100 - 86 - 4.0=60, 5021/3.0=16...(19) QD2 LEU 91 + HA LEU 111 OK 31 85 - 37 - 5002/3.0=5, 5009/3.0=4...(17) QD1 ILE 22 + HA LEU 111 OK 25 100 - 25 - 6443/3.0=7, 5002/3.0=5...(8) HB2 ASN 118 + HA LEU 111 OK 19 71 - 26 - 1.8/6247=5, 6245=4...(10) QG2 VAL 66 - HA LEU 111 lone 5 73 - 7 - 4.0/6219=1 Peak 4996 from cnoeabs.peaks (0.73, 3.61, 57.62 ppm; 3.22 A): 3 out of 8 assignments used, quality = 0.96: * QD2 LEU 111 + HA LEU 111 OK 81 100 - 81 - 4.0=51, 2.1/5019=17...(20) HG LEU 111 + HA LEU 111 OK 67 87 - 77 - 4.3=43, 2.1/5019=17...(18) QD1 LEU 114 + HA LEU 111 OK 35 98 - 36 - 2.1/8418=6, 3.1/6220=6...(12) QD1 LEU 91 - HA LEU 111 OK 27 97 - 28 - 2.1/4995=6, 2.1/6222=4...(12) QD2 LEU 93 - HA LEU 111 OK 20 78 - 26 - 2.1/6222=4, 3.1/4992=3...(10) QD1 LEU 84 - HA LEU 111 OK 17 92 - 18 - 2.1/7916=6, ~563=3...(5) QG2 ILE 63 - HA LEU 111 poor 7 63 - 11 - 2.1/6220=2, 5001/3.0=1 QD2 LEU 54 - HA LEU 111 lone 4 68 - 5 - Peak 4997 from cnoeabs.peaks (7.70, 1.39, 40.93 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.97: * H LEU 111 + HB2 LEU 111 OK 94 100 - 94 - 3.8=81, 1340/1.8=22...(16) H THR 121 + HB2 LEU 111 OK 43 97 - 45 - 1399=7, 5004/1.8=6...(16) H LEU 58 - HB2 LEU 111 OK 16 76 - 21 - 5004/1.8=3, 4990/3.0=2...(10) HE21 GLN 103 - HB2 LEU 111 lone 9 97 - 9 - 5004/1.8=2, 4990/3.0=1 H SER 90 - HB2 LEU 111 poor 8 76 - 11 - 5018/3.1=2, 7569/3.0=2...(5) H LEU 126 - HB2 LEU 111 lone 2 71 - 3 - Peak 4998 from cnoeabs.peaks (3.61, 1.39, 40.93 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 111 + HB2 LEU 111 OK 100 100 - 100 - 3.0=100 HA VAL 115 + HB2 LEU 111 OK 47 97 - 48 - 5005/1.8=7, ~7978=6...(17) HD2 PRO 70 - HB2 LEU 111 OK 18 100 - 18 - 5005/1.8=3, 5019/3.1=3...(5) HA2 GLY 39 - HB2 LEU 111 OK 11 100 - 11 - 6011/4.6=2, 5005/1.8=2...(4) HA ILE 80 - HB2 LEU 111 poor 10 60 - 16 - ~6224=3, ~7402=1...(5) HA GLU 75 - HB2 LEU 111 lone 8 78 - 10 - 5005/1.8=2, 5019/3.1=1 HA LYS 46 - HB2 LEU 111 lone 3 57 - 6 - HA2 GLY 48 - HB2 LEU 111 lone 2 71 - 3 - Peak 4999 from cnoeabs.peaks (1.39, 1.39, 40.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 111 + HB2 LEU 111 OK 100 100 - 100 Peak 5000 from cnoeabs.peaks (1.21, 1.39, 40.93 ppm; 2.73 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 111 + HB2 LEU 111 OK 100 100 - 100 - 1.8=100 HG LEU 77 - HB2 LEU 111 OK 20 83 - 25 - 4013/1.8=3, 2.1/7345=2...(11) HB2 LEU 77 - HB2 LEU 111 OK 19 76 - 26 - 5006=3, 4993/3.0=2...(9) QG2 VAL 18 - HB2 LEU 111 OK 18 99 - 18 - 5021/3.1=2, 4993/3.0=2...(8) HB3 LEU 24 - HB2 LEU 111 OK 10 100 - 10 - 4993/3.0=1, 5021/3.1=1 HG13 ILE 124 - HB2 LEU 111 poor 9 68 - 13 - 2.1/8120=2, 3.2/8115=2 HG2 LYS 32 - HB2 LEU 111 lone 7 100 - 7 - Peak 5001 from cnoeabs.peaks (0.75, 1.39, 40.93 ppm; 3.44 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 111 + HB2 LEU 111 OK 100 100 - 100 - 3.0=100 QD2 LEU 111 + HB2 LEU 111 OK 87 87 - 100 - 3.1=100 QD2 LEU 93 + HB2 LEU 111 OK 46 100 - 46 - 2.1/4508=7, 2.1/4494=4...(21) QD1 LEU 91 - HB2 LEU 111 OK 42 99 - 43 - 2.1/5002=6, 5008/1.8=4...(20) QD1 LEU 84 - HB2 LEU 111 OK 25 100 - 25 - ~8164=4, ~7916=3...(11) QG2 ILE 63 - HB2 LEU 111 OK 23 97 - 24 - 3.2/6200=2, 5008/1.8=2...(13) QD1 LEU 114 - HB2 LEU 111 OK 21 65 - 32 - ~8418=3, 4996/3.0=3...(18) QG2 VAL 66 - HB2 LEU 111 lone 5 78 - 6 - Peak 5002 from cnoeabs.peaks (0.80, 1.39, 40.93 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 111 + HB2 LEU 111 OK 100 100 - 100 - 3.1=100 QD1 ILE 22 - HB2 LEU 111 OK 42 100 - 42 - 6443/1.8=9, 4995/3.0=4...(16) QD2 LEU 91 - HB2 LEU 111 OK 42 85 - 49 - 5009/1.8=6, 4995/3.0=5...(24) HB2 ASN 118 - HB2 LEU 111 OK 13 71 - 18 - 6245/3.0=4, ~6247=3...(6) QG2 VAL 66 - HB2 LEU 111 lone 6 73 - 8 - Peak 5003 from cnoeabs.peaks (0.73, 1.39, 40.93 ppm; 3.46 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 111 + HB2 LEU 111 OK 100 100 - 100 - 3.1=100 HG LEU 111 + HB2 LEU 111 OK 87 87 - 100 - 3.0=100 QD1 LEU 91 - HB2 LEU 111 OK 41 97 - 43 - 2.1/5002=7, 5010/1.8=4...(20) QD2 LEU 93 - HB2 LEU 111 OK 35 78 - 45 - 2.1/4508=7, 2.1/4494=4...(21) QD1 LEU 114 - HB2 LEU 111 OK 34 98 - 35 - 4996/3.0=4, ~8418=4...(18) QD1 LEU 84 - HB2 LEU 111 OK 23 92 - 25 - ~8164=4, ~7916=3...(11) QG2 ILE 63 - HB2 LEU 111 OK 14 63 - 22 - 3.2/6200=2, 5008/1.8=2...(13) QD2 LEU 54 - HB2 LEU 111 lone 3 68 - 4 - Peak 5004 from cnoeabs.peaks (7.70, 1.21, 40.93 ppm; 3.52 A): 2 out of 12 assignments used, quality = 0.94: * H LEU 111 + HB3 LEU 111 OK 91 100 - 91 - 3.8=77, 4997/1.8=19...(14) H THR 121 + HB3 LEU 111 OK 30 97 - 31 - 4997/1.8=9, 4990/3.0=5...(9) H LEU 58 - HB3 LEU 111 OK 12 76 - 16 - 4997/1.8=3, 4990/3.0=2...(5) H LEU 111 - HB2 LEU 77 OK 11 55 - 20 - 1340=4, 2.9/4993=3...(7) HE21 GLN 103 - HB2 LEU 77 poor 8 50 - 16 - 7776/3.1=11, ~7338=3, ~7340=2 HE21 GLN 103 - HB3 LEU 111 lone 8 97 - 8 - 4997/1.8=2, 4990/3.0=1 H SER 90 - HB3 LEU 111 lone 7 76 - 10 - 4997/1.8=2, 5018/3.1=2...(5) H LEU 126 - HB3 LEU 111 lone 2 71 - 3 - H THR 121 - HB2 LEU 77 lone 2 50 - 3 - H LEU 58 - HB2 LEU 77 lone 1 35 - 2 - H LEU 126 - HB2 LEU 77 lone 1 32 - 2 - H SER 90 - HB2 LEU 77 lone 1 35 - 2 - Peak 5005 from cnoeabs.peaks (3.61, 1.21, 40.93 ppm; 3.70 A): 2 out of 16 assignments used, quality = 1.00: * HA LEU 111 + HB3 LEU 111 OK 100 100 - 100 - 3.0=100 HA VAL 115 + HB3 LEU 111 OK 48 97 - 49 - 4998/1.8=9, 3.2/7978=8...(16) HA LEU 111 - HB2 LEU 77 OK 22 55 - 40 - 4993=6, 3.0/5000=4...(21) HD2 PRO 70 - HB3 LEU 111 OK 19 100 - 19 - 4998/1.8=3, 5019/3.1=3...(5) HA2 GLY 39 - HB3 LEU 111 OK 11 100 - 11 - 6011/4.6=2, 4998/1.8=2...(4) HA GLU 75 - HB3 LEU 111 OK 11 78 - 14 - 4998/1.8=1, 3.6/7323=1...(4) HA ILE 80 - HB3 LEU 111 poor 10 60 - 16 - ~6224=3, 4998/1.8=2...(5) HA GLU 75 - HB2 LEU 77 poor 9 36 - 26 - 4.7/6087=8, 1657/4.3=6...(7) HA2 GLY 39 - HB2 LEU 77 poor 7 54 - 13 - 6011/4.3=4, 5553/4.0=2 HA ILE 80 - HB2 LEU 77 poor 7 26 - 26 - ~6107=5, ~7424=5...(9) HA VAL 115 - HB2 LEU 77 poor 7 50 - 13 - 3.2/7978=3, ~6107=2...(4) HA LYS 46 - HB3 LEU 111 lone 3 57 - 6 - HA2 GLY 48 - HB3 LEU 111 lone 2 71 - 3 - HD2 PRO 70 - HB2 LEU 77 lone 2 54 - 3 - HA LYS 46 - HB2 LEU 77 lone 1 25 - 6 - ~195=1, ~7338=1, 8585/3.0=1 HA2 GLY 48 - HB2 LEU 77 lone 1 32 - 4 - 1657/4.3=1 Peak 5006 from cnoeabs.peaks (1.39, 1.21, 40.93 ppm; 2.92 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 111 + HB3 LEU 111 OK 100 100 - 100 - 1.8=100 HB VAL 110 - HB3 LEU 111 OK 41 100 - 41 - 5877/3.8=8, 4.0/7884=5...(16) HB3 LEU 93 - HB3 LEU 111 OK 34 99 - 34 - 5020/3.1=3, 4489/3.0=3...(16) QG2 THR 121 - HB3 LEU 111 OK 24 95 - 26 - 8085/3.0=5, 8085/3.1=5...(10) HB2 LEU 111 - HB2 LEU 77 OK 17 55 - 32 - 5000=5, 5000/3.0=3...(15) HB2 LEU 27 - HB3 LEU 111 OK 13 99 - 13 - ~2278=1, 5020/3.1=1, 4992/3.0=1 HB2 LEU 27 - HB2 LEU 77 poor 7 53 - 13 - 8242/3.1=2, ~8241=2...(4) HG2 LYS 31 - HB3 LEU 111 lone 5 85 - 5 - HG LEU 59 - HB3 LEU 111 lone 5 96 - 5 - HG2 LYS 31 - HB2 LEU 77 poor 4 40 - 11 - 2427/1.8=2, ~3993=1, 2425/4.0=1 QB ALA 122 - HB3 LEU 111 lone 3 76 - 4 - ~627=1 HB VAL 110 - HB2 LEU 77 lone 2 54 - 4 - QG2 THR 121 - HB2 LEU 77 lone 1 48 - 2 - HB3 LEU 93 - HB2 LEU 77 lone 1 53 - 2 - QB ALA 122 - HB2 LEU 77 lone 1 35 - 2 - HG LEU 59 - HB2 LEU 77 lone 1 49 - 1 - Peak 5007 from cnoeabs.peaks (1.21, 1.21, 40.93 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 111 + HB3 LEU 111 OK 100 100 - 100 HB2 LEU 77 - HB2 LEU 77 OK 35 35 - 100 Peak 5008 from cnoeabs.peaks (0.75, 1.21, 40.93 ppm; 3.42 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 111 + HB3 LEU 111 OK 100 100 - 100 - 3.0=100 QD2 LEU 111 + HB3 LEU 111 OK 87 87 - 100 - 3.1=100 QD2 LEU 93 - HB3 LEU 111 OK 41 100 - 41 - 5001/1.8=5, 5014=4...(19) QD1 LEU 91 - HB3 LEU 111 OK 37 99 - 38 - 2.1/5009=6, 8371/1.8=4...(19) QD1 LEU 84 - HB3 LEU 111 OK 24 100 - 24 - ~8164=3, ~7916=3...(11) QG2 ILE 63 - HB3 LEU 111 OK 23 97 - 24 - 5001/1.8=2, 3.2/6202=2...(11) QD1 LEU 114 - HB3 LEU 111 OK 20 65 - 30 - ~8418=3, 4996/3.0=3...(17) HG LEU 111 - HB2 LEU 77 OK 18 55 - 33 - 2.1/5021=4, 3.0/5000=3...(17) QD2 LEU 111 - HB2 LEU 77 OK 13 42 - 32 - 2.1/5021=4, 3.1/5000=3...(15) QG2 VAL 66 - HB3 LEU 111 lone 5 78 - 6 - QD1 LEU 91 - HB2 LEU 77 lone 4 53 - 7 - ~8368=1 QG2 VAL 66 - HB2 LEU 77 lone 4 36 - 10 - 3678/3.1=2, ~4010=1...(4) QD1 LEU 84 - HB2 LEU 77 lone 2 54 - 4 - QG2 ILE 63 - HB2 LEU 77 lone 2 50 - 4 - QD2 LEU 93 - HB2 LEU 77 lone 1 54 - 3 - QD1 LEU 114 - HB2 LEU 77 lone 0 29 - 2 - Peak 5009 from cnoeabs.peaks (0.80, 1.21, 40.93 ppm; 3.48 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 111 + HB3 LEU 111 OK 100 100 - 100 - 3.1=100 QD2 LEU 91 - HB3 LEU 111 OK 39 85 - 46 - 5002/1.8=7, 4995/3.0=5...(24) QD1 ILE 22 - HB3 LEU 111 OK 38 100 - 38 - 6443=8, 5002/1.8=7...(14) QD1 LEU 111 - HB2 LEU 77 OK 19 55 - 35 - 5021=5, 3.1/5000=3...(15) HB2 ASN 118 - HB3 LEU 111 OK 12 71 - 16 - 6245/3.0=4, ~6247=3...(6) QD1 ILE 22 - HB2 LEU 77 poor 6 54 - 12 - 6443/3.0=2 QG2 VAL 66 - HB3 LEU 111 lone 6 73 - 8 - 5002/1.8=1 QD2 LEU 91 - HB2 LEU 77 lone 4 40 - 9 - 8368/3.0=2 QG2 VAL 66 - HB2 LEU 77 poor 3 33 - 10 - 3678/3.1=2, ~4010=1...(5) HB2 ASN 118 - HB2 LEU 77 lone 0 32 - 1 - Peak 5010 from cnoeabs.peaks (0.73, 1.21, 40.93 ppm; 3.41 A): 2 out of 16 assignments used, quality = 1.00: * QD2 LEU 111 + HB3 LEU 111 OK 100 100 - 100 - 3.1=100 HG LEU 111 + HB3 LEU 111 OK 87 87 - 100 - 3.0=100 QD1 LEU 91 - HB3 LEU 111 OK 36 97 - 37 - 2.1/5009=6, 5003/1.8=4...(19) QD1 LEU 114 - HB3 LEU 111 OK 32 98 - 33 - 4996/3.0=4, 5003/1.8=4...(17) QD2 LEU 93 - HB3 LEU 111 OK 30 78 - 39 - ~4508=4, 3.1/5006=4...(19) QD1 LEU 84 - HB3 LEU 111 OK 21 92 - 23 - ~8164=3, ~7916=3...(11) QD2 LEU 111 - HB2 LEU 77 OK 17 55 - 32 - 2.1/5021=4, 3.1/5000=3...(15) QG2 ILE 63 - HB3 LEU 111 OK 14 63 - 22 - 3.2/6202=2, 5001/1.8=2...(11) HG LEU 111 - HB2 LEU 77 OK 13 42 - 32 - 2.1/5021=4, 3.0/5000=3...(17) QD1 LEU 91 - HB2 LEU 77 lone 4 50 - 7 - ~8368=1 QD2 LEU 54 - HB3 LEU 111 lone 2 68 - 3 - QD2 LEU 54 - HB2 LEU 77 lone 2 31 - 7 - ~3211=1, ~3204=1 QD1 LEU 84 - HB2 LEU 77 lone 2 45 - 4 - QD1 LEU 114 - HB2 LEU 77 lone 1 51 - 2 - QG2 ILE 63 - HB2 LEU 77 lone 1 28 - 3 - QD2 LEU 93 - HB2 LEU 77 lone 1 36 - 2 - Peak 5011 from cnoeabs.peaks (7.70, 0.75, 24.58 ppm; 5.07 A): 3 out of 18 assignments used, quality = 1.00: * H LEU 111 + HG LEU 111 OK 99 100 - 99 - 5.3=88, 1340/3.0=26...(18) H LEU 111 + QD2 LEU 111 OK 76 76 - 100 - 4.7=100 H THR 121 + HG LEU 111 OK 58 97 - 60 - 4997/3.0=11, 5018/2.1=10...(15) H THR 121 - QD2 LEU 93 OK 41 80 - 52 - 3.9/8049=11, 3.9/8053=11...(15) H THR 121 - QD2 LEU 111 OK 39 71 - 55 - 4997/3.1=11, 4.0/8085=10...(14) H LEU 111 - QD2 LEU 93 OK 36 85 - 42 - ~6222=6, 3.8/5001=5...(13) H SER 90 - QD2 LEU 93 OK 32 58 - 55 - ~8525=14, 3.8/7576=11...(13) H SER 90 - HG LEU 111 OK 22 76 - 29 - 7569=5, 5018/2.1=4...(9) H LEU 58 - HG LEU 111 OK 21 76 - 28 - 5018/2.1=5, 4997/3.0=4...(8) H SER 90 - QD2 LEU 111 OK 14 50 - 27 - 7569/2.1=4, 5018/2.1=4...(8) HE21 GLN 103 - HG LEU 111 OK 13 97 - 13 - 5018/2.1=2, 4997/3.0=2...(5) H LEU 58 - QD2 LEU 93 OK 12 58 - 21 - 3.0/7055=3, ~8305=3...(8) H LEU 58 - QD2 LEU 111 OK 12 50 - 24 - 5018/2.1=5, 4997/3.1=4...(6) HE21 GLN 103 - QD2 LEU 111 poor 8 71 - 12 - 5018/2.1=2, 4997/3.1=2...(4) H LEU 126 - HG LEU 111 lone 4 71 - 5 - HE21 GLN 103 - QD2 LEU 93 lone 3 80 - 4 - H LEU 126 - QD2 LEU 111 lone 2 46 - 4 - H LEU 126 - QD2 LEU 93 lone 2 54 - 3 - Peak 5012 from cnoeabs.peaks (3.61, 0.75, 24.58 ppm; 3.98 A): 2 out of 24 assignments used, quality = 0.99: * HA LEU 111 + HG LEU 111 OK 96 100 - 96 - 4.3=81, 5019/2.1=24...(19) HA LEU 111 + QD2 LEU 111 OK 75 76 - 99 - 4.0=96, 5019/2.1=24...(20) HA VAL 115 - HG LEU 111 OK 42 97 - 43 - 5019/2.1=9, 4998/3.0=8...(12) HA LEU 111 - QD2 LEU 93 OK 34 85 - 40 - 6222/2.1=6, 4994=5...(14) HA VAL 115 - QD2 LEU 111 OK 28 71 - 40 - 5019/2.1=9, 4998/3.1=7...(12) HD2 PRO 70 - HG LEU 111 OK 18 100 - 18 - 5019/2.1=4, 4998/3.0=3...(6) HA VAL 115 - QD2 LEU 93 OK 16 80 - 20 - 6244/2.1=3, ~583=2...(8) HD2 PRO 70 - QD2 LEU 111 OK 13 75 - 17 - 5019/2.1=4, 4998/3.1=3...(5) HA ILE 80 - HG LEU 111 OK 12 60 - 21 - 3.2/7402=4, 3.6/7431=2...(6) HA2 GLY 39 - HG LEU 111 OK 10 100 - 10 - 6011/4.9=2, 5019/2.1=2...(4) HA ILE 80 - QD2 LEU 93 poor 9 45 - 20 - 3.2/7402=6, ~8377=3...(7) HA GLU 75 - HG LEU 111 lone 7 78 - 9 - 5019/2.1=2, 5005/3.0=1 HA ILE 80 - QD2 LEU 111 poor 7 38 - 18 - 3.2/7402=3, ~7402=2...(6) HA2 GLY 39 - QD2 LEU 111 lone 6 75 - 8 - 5019/2.1=2, 4998/3.1=2...(4) HD2 PRO 70 - QD2 LEU 93 lone 6 84 - 7 - HA GLU 75 - QD2 LEU 111 lone 5 52 - 9 - 5019/2.1=2, 5005/3.1=1...(4) HA LYS 46 - HG LEU 111 lone 4 57 - 6 - 5019/2.1=1 HA2 GLY 39 - QD2 LEU 93 lone 3 85 - 4 - HA LYS 46 - QD2 LEU 111 lone 2 37 - 7 - 5019/2.1=1 HA GLU 75 - QD2 LEU 93 lone 2 60 - 3 - HA2 GLY 48 - HG LEU 111 lone 2 71 - 3 - HA LYS 46 - QD2 LEU 93 lone 2 42 - 4 - HA2 GLY 48 - QD2 LEU 111 lone 1 46 - 2 - HA2 GLY 48 - QD2 LEU 93 lone 1 54 - 2 - Peak 5013 from cnoeabs.peaks (1.39, 0.75, 24.58 ppm; 3.62 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LEU 111 + HG LEU 111 OK 100 100 - 100 - 3.0=100 HB3 LEU 93 + QD2 LEU 93 OK 83 83 - 100 - 3.1=100 HB2 LEU 111 + QD2 LEU 111 OK 76 76 - 100 - 3.1=100 HB3 LEU 93 + HG LEU 111 OK 57 99 - 57 - 4489=7, 1.8/4482=5...(29) HB VAL 110 - HG LEU 111 OK 43 100 - 43 - 5877/5.3=8, ~8164=7...(12) HB2 LEU 111 - QD2 LEU 93 OK 42 85 - 49 - 4508/2.1=7, 5001=7...(20) HB3 LEU 93 - QD2 LEU 111 OK 40 73 - 55 - 4489/2.1=6, 4489=5...(27) QG2 THR 121 - HG LEU 111 OK 36 95 - 38 - 8085=11, 8085/2.1=9...(11) HB VAL 110 - QD2 LEU 111 OK 32 75 - 42 - 5877/4.7=9, ~8164=7...(11) QG2 THR 121 - QD2 LEU 93 OK 26 76 - 34 - 8085=10, 4508/2.1=5...(11) QG2 THR 121 - QD2 LEU 111 OK 24 67 - 36 - 8085=11, 8085/2.1=9...(10) HG2 LYS 31 - QD2 LEU 93 OK 20 66 - 31 - 4508/2.1=4, 4480/3.1=3...(14) HB2 LEU 27 - QD2 LEU 93 OK 18 83 - 22 - 4508/2.1=3, 4473/3.8=2...(8) HG LEU 59 - QD2 LEU 93 OK 15 77 - 20 - 3415/2.1=3, 4494/2.1=1...(6) HB2 LEU 27 - HG LEU 111 OK 15 99 - 16 - 5006/3.0=2, 4992/4.3=1, ~2278=1 HB VAL 110 - QD2 LEU 93 OK 15 84 - 18 - ~7874=3, 4508/2.1=2...(8) HB2 LEU 27 - QD2 LEU 111 OK 10 73 - 14 - 5006/3.1=2, 4992/4.0=1, ~2278=1 HG2 LYS 31 - HG LEU 111 lone 8 85 - 9 - HG LEU 59 - HG LEU 111 lone 7 96 - 7 - HG2 LYS 31 - QD2 LEU 111 lone 5 58 - 8 - HG LEU 59 - QD2 LEU 111 lone 4 68 - 6 - QB ALA 122 - HG LEU 111 lone 4 76 - 5 - ~627=1 QB ALA 122 - QD2 LEU 111 lone 2 50 - 5 - ~627=1 QB ALA 122 - QD2 LEU 93 lone 2 58 - 3 - Peak 5014 from cnoeabs.peaks (1.21, 0.75, 24.58 ppm; 3.52 A): 2 out of 21 assignments used, quality = 1.00: * HB3 LEU 111 + HG LEU 111 OK 100 100 - 100 - 3.0=100 HB3 LEU 111 + QD2 LEU 111 OK 76 76 - 100 - 3.1=100 HB3 LEU 111 - QD2 LEU 93 OK 37 85 - 44 - 5008=5, 1.8/5001=5...(19) HB2 LEU 77 - HG LEU 111 OK 23 76 - 31 - 5000/3.0=4, 5009/2.1=3...(17) HG LEU 77 - HG LEU 111 OK 23 83 - 27 - 5000/3.0=4, 4013/3.0=3...(14) QG2 VAL 18 - HG LEU 111 OK 22 99 - 22 - 5000/3.0=3, 568/4.9=3...(8) HB2 LEU 77 - QD2 LEU 111 OK 15 50 - 29 - 5000/3.1=3, 5009/2.1=3...(16) HG LEU 77 - QD2 LEU 111 OK 14 56 - 26 - 5000/3.1=4, 4013/3.1=3...(12) QG2 VAL 18 - QD2 LEU 111 OK 14 72 - 20 - 5000/3.1=3, ~8420=3...(6) HB3 LEU 24 - HG LEU 111 OK 13 100 - 13 - 5000/3.0=2, 4993/4.3=1 HB3 LEU 24 - QD2 LEU 93 poor 9 84 - 10 - 2210/2.1=2 HB3 LEU 24 - QD2 LEU 111 poor 9 75 - 12 - 5000/3.1=2, 4993/4.0=2 HG13 ILE 124 - HG LEU 111 poor 8 68 - 12 - ~8120=2, 5000/3.0=2, ~8115=1 HG2 LYS 32 - HG LEU 111 lone 8 100 - 8 - 5000/3.0=1 QG2 VAL 18 - QD2 LEU 93 lone 7 82 - 8 - 8398/3.1=1 HG13 ILE 124 - QD2 LEU 93 poor 6 51 - 12 - ~8120=3, ~8115=2...(6) HG2 LYS 32 - QD2 LEU 111 lone 5 76 - 7 - 5000/3.1=1 HG13 ILE 124 - QD2 LEU 111 poor 5 44 - 12 - ~8120=2, 5000/3.1=2, ~8115=1 HG2 LYS 32 - QD2 LEU 93 lone 3 85 - 4 - ~8377=1 HB2 LEU 77 - QD2 LEU 93 lone 1 58 - 2 - HG LEU 77 - QD2 LEU 93 lone 1 64 - 2 - Peak 5015 from cnoeabs.peaks (0.75, 0.75, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 111 + HG LEU 111 OK 100 100 - 100 QD2 LEU 93 + QD2 LEU 93 OK 84 84 - 100 QD2 LEU 111 + QD2 LEU 111 OK 59 59 - 100 Peak 5016 from cnoeabs.peaks (0.80, 0.75, 24.58 ppm; 2.40 A): 2 out of 15 assignments used, quality = 1.00: * QD1 LEU 111 + HG LEU 111 OK 100 100 - 100 - 2.1=100 QD1 LEU 111 + QD2 LEU 111 OK 76 76 - 100 - 2.1=100 QD2 LEU 91 - QD2 LEU 93 OK 27 66 - 41 - 4406=6, 4404/2.1=3...(19) QD2 LEU 91 - HG LEU 111 OK 24 85 - 29 - 4406=4, 4406/2.1=3...(8) QD1 LEU 111 - QD2 LEU 93 OK 16 85 - 19 - 7911/3.1=2, 5020/3.1=2...(6) QD2 LEU 91 - QD2 LEU 111 OK 16 58 - 28 - 4406=4, 4406/2.1=3...(8) QD1 ILE 22 - HG LEU 111 OK 15 100 - 15 - 6443/3.0=3, 5002/3.0=2...(5) QD1 ILE 22 - QD2 LEU 111 OK 11 75 - 14 - 6443/3.1=3, 5002/3.1=2...(5) QD1 ILE 22 - QD2 LEU 93 lone 8 84 - 9 - 2180/2.1=2 QG2 VAL 66 - HG LEU 111 lone 4 73 - 5 - HB2 ASN 118 - HG LEU 111 lone 4 71 - 5 - 6245/4.3=1 HB2 ASN 118 - QD2 LEU 111 lone 2 46 - 5 - 6245/4.0=1 QG2 VAL 66 - QD2 LEU 93 lone 2 56 - 4 - QG2 VAL 66 - QD2 LEU 111 lone 2 48 - 3 - HB2 ASN 118 - QD2 LEU 93 lone 1 54 - 2 - Peak 5017 from cnoeabs.peaks (0.73, 0.75, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: HG LEU 111 + HG LEU 111 OK 87 87 - 100 QD2 LEU 111 + QD2 LEU 111 OK 76 76 - 100 QD2 LEU 93 + QD2 LEU 93 OK 60 60 - 100 Reference assignment not found: QD2 LEU 111 - HG LEU 111 Peak 5018 from cnoeabs.peaks (7.70, 0.80, 24.39 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.96: * H LEU 111 + QD1 LEU 111 OK 96 100 - 96 - 4.7=78, 2.9/5019=22...(15) H THR 121 - QD1 LEU 111 OK 38 97 - 39 - 4997/3.1=9, 5004/3.1=6...(11) H LEU 58 - QD1 LEU 111 OK 19 76 - 26 - 4997/3.1=3, 4990/4.0=3...(12) H SER 90 - QD1 LEU 111 OK 14 76 - 18 - 7569/2.1=3, 7569/2.1=2...(7) HE21 GLN 103 - QD1 LEU 111 lone 9 97 - 9 - 4997/3.1=2, 5004/3.1=2 H LEU 126 - QD1 LEU 111 lone 3 71 - 4 - Peak 5019 from cnoeabs.peaks (3.61, 0.80, 24.39 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.90: * HA LEU 111 + QD1 LEU 111 OK 84 100 - 84 - 4.0=55, 3.0/5021=16...(19) HA VAL 115 + QD1 LEU 111 OK 31 97 - 32 - 4998/3.1=5, 5005/3.1=4...(12) HD2 PRO 70 + QD1 LEU 111 OK 13 100 - 13 - 4998/3.1=2, 5005/3.1=2...(6) HA2 GLY 39 - QD1 LEU 111 lone 6 100 - 6 - 4998/3.1=1 HA GLU 75 - QD1 LEU 111 lone 6 78 - 8 - HA ILE 80 - QD1 LEU 111 poor 6 60 - 10 - ~7402=1, 4998/3.1=1 HA LYS 46 - QD1 LEU 111 lone 4 57 - 6 - HA2 GLY 48 - QD1 LEU 111 lone 1 71 - 2 - Peak 5020 from cnoeabs.peaks (1.39, 0.80, 24.39 ppm; 3.47 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 111 + QD1 LEU 111 OK 100 100 - 100 - 3.1=100 HB3 LEU 93 - QD1 LEU 111 OK 45 99 - 45 - 1.8/7911=7, 4489/2.1=5...(19) HB VAL 110 - QD1 LEU 111 OK 43 100 - 43 - 5877/4.7=9, 2.1/8164=8...(12) QG2 THR 121 - QD1 LEU 111 OK 32 95 - 33 - 8085/2.1=8, 8085/2.1=8...(8) HB2 LEU 27 - QD1 LEU 111 OK 15 99 - 16 - 4.0/7891=2, 5006/3.1=2 HG2 LYS 31 - QD1 LEU 111 lone 6 85 - 7 - 1.8/7911=1 HG LEU 59 - QD1 LEU 111 lone 5 96 - 5 - QB ALA 122 - QD1 LEU 111 lone 3 76 - 4 - Peak 5021 from cnoeabs.peaks (1.21, 0.80, 24.39 ppm; 3.00 A): 2 out of 7 assignments used, quality = 0.93: * HB3 LEU 111 + QD1 LEU 111 OK 91 100 - 91 - 3.1=86, 3.0/5019=12...(11) QG2 VAL 18 + QD1 LEU 111 OK 22 99 - 22 - 2.1/8420=4, 5000/3.1=2...(7) HB2 LEU 77 - QD1 LEU 111 OK 17 76 - 23 - 5009=3, 5000/3.1=3...(8) HG LEU 77 - QD1 LEU 111 OK 16 83 - 19 - 5000/3.1=3, 4013/3.1=2...(7) HB3 LEU 24 - QD1 LEU 111 lone 9 100 - 9 - 5000/3.1=1, 4993/4.0=1 HG13 ILE 124 - QD1 LEU 111 lone 6 68 - 9 - 5000/3.1=1, ~8120=1 HG2 LYS 32 - QD1 LEU 111 lone 6 100 - 6 - Peak 5022 from cnoeabs.peaks (0.75, 0.80, 24.39 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 111 + QD1 LEU 111 OK 100 100 - 100 - 2.1=100 QD2 LEU 111 + QD1 LEU 111 OK 87 87 - 100 - 2.1=100 QD1 LEU 91 - QD1 LEU 111 OK 20 99 - 20 - 4412=3, 2.1/7911=2...(7) QD2 LEU 93 - QD1 LEU 111 OK 19 100 - 19 - 3.1/7911=2, 3.1/5020=2...(6) QD1 LEU 84 - QD1 LEU 111 OK 12 100 - 12 - 2.1/8164=2, ~4266=1...(4) QG2 ILE 63 - QD1 LEU 111 OK 11 97 - 12 - 3.2/7903=1, 2.1/7909=1 QD1 LEU 114 - QD1 LEU 111 poor 7 65 - 11 - 3.1/7909=1, 4.4/7898=1 QG2 VAL 66 - QD1 LEU 111 lone 4 78 - 5 - Peak 5023 from cnoeabs.peaks (0.80, 0.80, 24.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 111 + QD1 LEU 111 OK 100 100 - 100 Peak 5024 from cnoeabs.peaks (0.73, 0.80, 24.39 ppm; 2.62 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 111 + QD1 LEU 111 OK 100 100 - 100 - 2.1=100 HG LEU 111 + QD1 LEU 111 OK 87 87 - 100 - 2.1=100 QD1 LEU 91 - QD1 LEU 111 OK 24 97 - 25 - 4412=4, 2.1/7911=2...(11) QD2 LEU 93 - QD1 LEU 111 OK 17 78 - 22 - 3.1/7911=3, 3.1/5020=3...(8) QD1 LEU 114 - QD1 LEU 111 OK 15 98 - 15 - 4996/4.0=1, 5003/3.1=1...(6) QD1 LEU 84 - QD1 LEU 111 OK 13 92 - 14 - 2.1/8164=3, ~4266=1...(4) QG2 ILE 63 - QD1 LEU 111 poor 8 63 - 13 - 3.2/7903=2, 2.1/7909=1 QD2 LEU 54 - QD1 LEU 111 lone 2 68 - 3 - Peak 5025 from cnoeabs.peaks (7.70, 0.73, 24.77 ppm; 4.29 A): 2 out of 18 assignments used, quality = 0.99: * H LEU 111 + QD2 LEU 111 OK 96 100 - 96 - 4.7=79, 1340/3.1=21...(17) H LEU 111 + HG LEU 111 OK 70 76 - 92 - 5.3=53, 1340/3.0=22...(17) H THR 121 - QD2 LEU 111 OK 44 97 - 45 - 4997/3.1=9, 4.0/8085=8...(11) H THR 121 - HG LEU 111 OK 34 71 - 48 - 4997/3.0=9, 5018/2.1=8...(12) H THR 121 - QD2 LEU 93 OK 28 72 - 39 - 3.9/8053=8, 4.0/8085=7...(12) H LEU 111 - QD2 LEU 93 OK 26 77 - 33 - 1341=5, ~6222=4...(12) H SER 90 - QD2 LEU 93 OK 22 51 - 43 - ~8525=10, 3.8/7576=8...(9) H SER 90 - QD2 LEU 111 OK 16 76 - 21 - 5018/2.1=3, 7569/2.1=3...(8) H LEU 58 - QD2 LEU 111 OK 15 76 - 20 - 5018/2.1=4, 4997/3.1=3...(6) H SER 90 - HG LEU 111 OK 11 50 - 22 - 5018/2.1=3, 7569=3...(9) H LEU 58 - HG LEU 111 OK 11 50 - 22 - 5018/2.1=4, 4997/3.0=3...(6) HE21 GLN 103 - QD2 LEU 111 lone 9 97 - 9 - 5018/2.1=2, 4997/3.1=2...(4) H LEU 58 - QD2 LEU 93 poor 8 51 - 15 - 1048/2.1=2, ~8305=2...(6) HE21 GLN 103 - HG LEU 111 poor 7 71 - 10 - 4997/3.0=2, 5018/2.1=2...(5) H LEU 126 - QD2 LEU 111 lone 2 71 - 3 - HE21 GLN 103 - QD2 LEU 93 lone 2 72 - 2 - H LEU 126 - HG LEU 111 lone 2 46 - 4 - H LEU 126 - QD2 LEU 93 lone 1 47 - 2 - Peak 5026 from cnoeabs.peaks (3.61, 0.73, 24.77 ppm; 3.49 A): 2 out of 24 assignments used, quality = 0.96: * HA LEU 111 + QD2 LEU 111 OK 89 100 - 89 - 4.0=64, 5019/2.1=20...(21) HA LEU 111 + HG LEU 111 OK 65 76 - 85 - 4.3=55, 5019/2.1=20...(18) HA VAL 115 - QD2 LEU 111 OK 34 97 - 35 - 5019/2.1=7, 4998/3.1=6...(10) HA VAL 115 - HG LEU 111 OK 25 71 - 35 - 5019/2.1=7, 4998/3.0=6...(10) HA LEU 111 - QD2 LEU 93 OK 24 77 - 31 - 6222/2.1=5, 4994=5...(12) HD2 PRO 70 - QD2 LEU 111 OK 15 100 - 15 - 5019/2.1=3, 4998/3.1=2...(4) HD2 PRO 70 - HG LEU 111 OK 11 75 - 14 - 5019/2.1=3, 4998/3.0=2...(4) HA VAL 115 - QD2 LEU 93 OK 11 72 - 15 - 6244/2.1=2, ~583=1...(4) HA ILE 80 - QD2 LEU 111 poor 8 60 - 14 - 3.2/7402=2, ~7402=2...(4) HA2 GLY 39 - QD2 LEU 111 lone 7 100 - 7 - 5019/2.1=2, 4998/3.1=1 HA GLU 75 - QD2 LEU 111 lone 6 78 - 8 - 5019/2.1=1, 5005/3.1=1 HA2 GLY 39 - HG LEU 111 lone 6 75 - 8 - 6011/4.9=2, 5019/2.1=1...(4) HA ILE 80 - HG LEU 111 poor 6 38 - 15 - 3.2/7402=3, 5019/2.1=1...(4) HA ILE 80 - QD2 LEU 93 poor 5 39 - 13 - 3.2/7402=4, ~8377=2...(4) HA GLU 75 - HG LEU 111 lone 4 52 - 7 - 5019/2.1=1, 5005/3.0=1 HD2 PRO 70 - QD2 LEU 93 lone 4 77 - 5 - HA LYS 46 - QD2 LEU 111 lone 3 57 - 6 - HA2 GLY 39 - QD2 LEU 93 lone 2 77 - 3 - HA LYS 46 - HG LEU 111 lone 2 37 - 5 - HA2 GLY 48 - QD2 LEU 111 lone 1 71 - 2 - HA GLU 75 - QD2 LEU 93 lone 1 53 - 2 - HA LYS 46 - QD2 LEU 93 lone 1 37 - 3 - HA2 GLY 48 - HG LEU 111 lone 1 46 - 2 - HA2 GLY 48 - QD2 LEU 93 lone 1 47 - 1 - Peak 5027 from cnoeabs.peaks (1.39, 0.73, 24.77 ppm; 3.34 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LEU 111 + QD2 LEU 111 OK 100 100 - 100 - 3.1=100 HB2 LEU 111 + HG LEU 111 OK 76 76 - 100 - 3.0=100 HB3 LEU 93 + QD2 LEU 93 OK 75 75 - 100 - 3.1=100 HB3 LEU 93 + QD2 LEU 111 OK 46 99 - 46 - 4489/2.1=5, 5006/3.1=4...(21) HB VAL 110 - QD2 LEU 111 OK 40 100 - 40 - 2.1/7875=9, 5877/4.7=8...(12) HB3 LEU 93 - HG LEU 111 OK 35 73 - 48 - 4489=4, 5006/3.0=4...(23) HB2 LEU 111 - QD2 LEU 93 OK 33 77 - 42 - 4508/2.1=7, 5001=5...(19) QG2 THR 121 - QD2 LEU 111 OK 32 95 - 34 - 8085=12, 8085/2.1=8...(8) HB VAL 110 - HG LEU 111 OK 29 75 - 39 - 5877/5.3=6, ~8164=6...(11) QG2 THR 121 - HG LEU 111 OK 23 67 - 34 - 8085=11, 8085/2.1=8...(9) QG2 THR 121 - QD2 LEU 93 OK 21 68 - 31 - 8085=11, 4508/2.1=4...(9) HG2 LYS 31 - QD2 LEU 93 OK 15 59 - 26 - 4508/2.1=3, 4480/3.1=3...(11) HB2 LEU 27 - QD2 LEU 93 OK 14 75 - 19 - 4508/2.1=3, 4473/3.8=2...(8) HB2 LEU 27 - QD2 LEU 111 OK 12 99 - 12 - 5006/3.1=1, 4992/4.0=1 HB VAL 110 - QD2 LEU 93 OK 12 77 - 15 - ~7874=2, 4508/2.1=2...(8) HG LEU 59 - QD2 LEU 93 OK 12 70 - 17 - 3415/2.1=3, 4494/2.1=1...(5) HB2 LEU 27 - HG LEU 111 poor 10 73 - 13 - 5006/3.0=2 HG2 LYS 31 - QD2 LEU 111 lone 6 85 - 7 - HG LEU 59 - QD2 LEU 111 lone 5 96 - 5 - HG2 LYS 31 - HG LEU 111 lone 4 58 - 7 - HG LEU 59 - HG LEU 111 lone 4 68 - 5 - QB ALA 122 - QD2 LEU 111 lone 3 76 - 4 - QB ALA 122 - HG LEU 111 lone 2 50 - 4 - QB ALA 122 - QD2 LEU 93 lone 1 51 - 2 - Peak 5028 from cnoeabs.peaks (1.21, 0.73, 24.77 ppm; 3.11 A): 2 out of 21 assignments used, quality = 0.99: * HB3 LEU 111 + QD2 LEU 111 OK 98 100 - 98 - 3.1=96, 3.0/4996=7...(12) HB3 LEU 111 + HG LEU 111 OK 76 76 - 100 - 3.0=100 HB3 LEU 111 - QD2 LEU 93 OK 26 77 - 34 - 5008=4, 1.8/5001=3...(15) HB2 LEU 77 - QD2 LEU 111 OK 18 76 - 23 - 5000/3.1=3, 5009/2.1=2...(8) HG LEU 77 - QD2 LEU 111 OK 17 83 - 20 - 5000/3.1=3, 4013/3.1=2...(7) QG2 VAL 18 - QD2 LEU 111 OK 16 99 - 16 - 5000/3.1=3, ~8420=2...(4) QG2 VAL 18 - HG LEU 111 OK 12 72 - 17 - 5000/3.0=3, 568/4.9=2...(6) HB2 LEU 77 - HG LEU 111 OK 12 50 - 24 - 5000/3.0=3, 5009/2.1=2...(8) HG LEU 77 - HG LEU 111 OK 12 56 - 21 - 5000/3.0=3, 4013/3.0=3...(6) HB3 LEU 24 - QD2 LEU 111 lone 9 100 - 9 - 5000/3.1=1, 4993/4.0=1 HB3 LEU 24 - HG LEU 111 lone 7 75 - 9 - 5000/3.0=2, 4993/4.3=1 HG13 ILE 124 - QD2 LEU 111 lone 6 68 - 9 - 5000/3.1=1, ~8120=1 HB3 LEU 24 - QD2 LEU 93 lone 6 76 - 8 - 2210/2.1=1 HG2 LYS 32 - QD2 LEU 111 lone 5 100 - 5 - QG2 VAL 18 - QD2 LEU 93 lone 4 74 - 6 - HG2 LYS 32 - HG LEU 111 lone 4 76 - 6 - 5000/3.0=1 HG13 ILE 124 - HG LEU 111 lone 4 44 - 9 - 5000/3.0=1, ~8120=1 HG13 ILE 124 - QD2 LEU 93 lone 4 45 - 9 - ~8120=2, ~8115=1, ~7601=1 HG2 LYS 32 - QD2 LEU 93 lone 2 77 - 3 - HB2 LEU 77 - QD2 LEU 93 lone 1 51 - 2 - HG LEU 77 - QD2 LEU 93 lone 1 57 - 1 - Peak 5029 from cnoeabs.peaks (0.75, 0.73, 24.77 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 111 + QD2 LEU 111 OK 87 87 - 100 QD2 LEU 93 + QD2 LEU 93 OK 77 77 - 100 HG LEU 111 + HG LEU 111 OK 76 76 - 100 Reference assignment not found: HG LEU 111 - QD2 LEU 111 Peak 5030 from cnoeabs.peaks (0.80, 0.73, 24.77 ppm; 2.40 A): 2 out of 15 assignments used, quality = 1.00: * QD1 LEU 111 + QD2 LEU 111 OK 100 100 - 100 - 2.1=100 QD1 LEU 111 + HG LEU 111 OK 76 76 - 100 - 2.1=100 QD2 LEU 91 - QD2 LEU 93 OK 24 59 - 41 - 4406=6, 4404/2.1=3...(19) QD2 LEU 91 - QD2 LEU 111 OK 23 85 - 28 - 4406=4, 4406/2.1=3...(8) QD2 LEU 91 - HG LEU 111 OK 16 58 - 28 - 4406=4, 4406/2.1=3...(8) QD1 ILE 22 - QD2 LEU 111 OK 14 100 - 15 - 6443/3.1=3, 5002/3.1=2...(5) QD1 LEU 111 - QD2 LEU 93 OK 14 77 - 18 - 7911/3.1=2, 5020/3.1=2...(6) QD1 ILE 22 - HG LEU 111 OK 11 75 - 15 - 6443/3.0=3, 5002/3.0=2...(5) QD1 ILE 22 - QD2 LEU 93 lone 7 77 - 9 - 2180/2.1=2 HB2 ASN 118 - QD2 LEU 111 lone 3 71 - 5 - 6245/4.0=1 HB2 ASN 118 - HG LEU 111 lone 2 46 - 5 - 6245/4.3=1 QG2 VAL 66 - QD2 LEU 111 lone 2 73 - 3 - QG2 VAL 66 - HG LEU 111 lone 2 48 - 4 - HB2 ASN 118 - QD2 LEU 93 lone 1 47 - 2 - QG2 VAL 66 - QD2 LEU 93 lone 1 49 - 2 - Peak 5031 from cnoeabs.peaks (0.73, 0.73, 24.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 111 + QD2 LEU 111 OK 100 100 - 100 HG LEU 111 + HG LEU 111 OK 59 59 - 100 QD2 LEU 93 + QD2 LEU 93 OK 53 53 - 100 Peak 5032 from cnoeabs.peaks (8.03, 4.06, 61.58 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * H SER 112 + HA SER 112 OK 100 100 - 100 - 3.0=100 H THR 116 + HA SER 112 OK 49 92 - 53 - 4.4/6227=14, 4.6/6226=10...(11) H THR 19 - HA SER 112 OK 15 92 - 16 - 1550=2, 5880/4.8=2...(5) H GLN 42 - HA SER 112 OK 14 85 - 17 - 1591/4.8=3, 4.0/7919=3...(5) Peak 5033 from cnoeabs.peaks (4.06, 4.06, 61.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 112 + HA SER 112 OK 100 100 - 100 Peak 5034 from cnoeabs.peaks (3.89, 4.06, 61.58 ppm; 3.08 A): 2 out of 13 assignments used, quality = 1.00: * HB2 SER 112 + HA SER 112 OK 100 100 - 100 - 3.0=100 HB3 SER 112 + HA SER 112 OK 100 100 - 100 - 3.0=100 HB3 ASN 79 - HA SER 112 lone 7 98 - 7 - 4.5/6226=3 HA ALA 43 - HA SER 112 poor 7 63 - 11 - 2.1/6811=2, 3.6/6225=2...(5) HA ARG 53 - HA SER 112 lone 4 100 - 4 - HD2 PRO 68 - HA SER 112 lone 2 83 - 3 - HD3 PRO 68 - HA SER 112 lone 2 78 - 3 - HB THR 95 - HA SER 112 lone 2 100 - 2 - HB2 SER 13 - HA SER 112 lone 2 78 - 2 - HA ILE 34 - HA SER 112 lone 1 97 - 1 - HB THR 62 - HA SER 112 lone 1 78 - 2 - HA2 GLY 2 - HA SER 112 lone 1 97 - 1 - HA3 GLY 2 - HA SER 112 lone 1 97 - 1 - Peak 5035 from cnoeabs.peaks (3.89, 4.06, 61.58 ppm; 3.08 A): 2 out of 15 assignments used, quality = 1.00: * HB3 SER 112 + HA SER 112 OK 100 100 - 100 - 3.0=100 HB2 SER 112 + HA SER 112 OK 100 100 - 100 - 3.0=100 HB3 ASN 79 - HA SER 112 lone 7 99 - 7 - 4.5/6226=3 HA ALA 43 - HA SER 112 poor 6 57 - 10 - 2.1/6811=2, 3.6/6225=2...(5) HA ARG 53 - HA SER 112 lone 5 100 - 5 - HD2 PRO 68 - HA SER 112 lone 2 78 - 3 - HB THR 95 - HA SER 112 lone 2 100 - 2 - HD3 PRO 68 - HA SER 112 lone 2 73 - 3 - HB2 SER 13 - HA SER 112 lone 2 83 - 2 - HA ILE 34 - HA SER 112 lone 1 95 - 1 - HB THR 62 - HA SER 112 lone 1 73 - 1 - HA THR 33 - HA SER 112 lone 1 57 - 1 - HA3 GLY 2 - HA SER 112 lone 1 95 - 1 - HA2 GLY 2 - HA SER 112 lone 1 95 - 1 - HB THR 33 - HA SER 112 lone 1 60 - 1 - Peak 5036 from cnoeabs.peaks (8.03, 3.89, 62.40 ppm; 3.21 A): 2 out of 8 assignments used, quality = 0.94: H SER 112 + HB3 SER 112 OK 76 100 - 76 - 3.9=55, 1346/1.8=16...(9) * H SER 112 + HB2 SER 112 OK 76 100 - 76 - 3.9=55, 1346/1.8=16...(9) H THR 116 - HB2 SER 112 OK 19 92 - 20 - 5032/3.0=6, 4.3/7973=5...(5) H THR 116 - HB3 SER 112 OK 19 92 - 20 - 5032/3.0=6, 4.3/7973=5...(5) H GLN 42 - HB3 SER 112 lone 6 85 - 7 - 5032/3.0=2, 5.2/6799=1 H GLN 42 - HB2 SER 112 lone 6 85 - 7 - 5032/3.0=2, 5.2/6799=1 H THR 19 - HB3 SER 112 lone 4 92 - 4 - 5032/3.0=2 H THR 19 - HB2 SER 112 lone 4 92 - 4 - 5032/3.0=2 Peak 5037 from cnoeabs.peaks (4.06, 3.89, 62.40 ppm; 2.85 A): 2 out of 18 assignments used, quality = 0.99: * HA SER 112 + HB2 SER 112 OK 88 100 - 88 - 3.0=84, 3.0/1346=9...(8) HA SER 112 + HB3 SER 112 OK 88 100 - 88 - 3.0=84, 3.0/1346=9...(8) HA LYS 109 - HB2 SER 112 OK 17 99 - 17 - 6208=5, 6208/1.8=5...(4) HA LYS 109 - HB3 SER 112 OK 17 99 - 17 - 6208=5, 6208/1.8=5...(4) HA LEU 55 - HB2 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA LEU 55 - HB3 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA SER 44 - HB2 SER 112 lone 6 98 - 6 - HA SER 44 - HB3 SER 112 lone 6 98 - 6 - HD3 PRO 37 - HB2 SER 112 lone 2 92 - 3 - HD3 PRO 37 - HB3 SER 112 lone 2 92 - 2 - HA TYR 102 - HB2 SER 112 lone 2 96 - 2 - HA TYR 102 - HB3 SER 112 lone 2 95 - 2 - HA LYS 31 - HB2 SER 112 lone 2 73 - 2 - HA LYS 31 - HB3 SER 112 lone 2 73 - 2 - HA GLN 16 - HB2 SER 112 lone 2 68 - 3 - HA GLN 16 - HB3 SER 112 lone 2 68 - 3 - HA VAL 120 - HB2 SER 112 lone 2 73 - 2 - HA VAL 120 - HB3 SER 112 lone 2 73 - 2 - Peak 5038 from cnoeabs.peaks (3.89, 3.89, 62.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 112 + HB2 SER 112 OK 100 100 - 100 HB3 SER 112 + HB3 SER 112 OK 100 100 - 100 Peak 5039 from cnoeabs.peaks (3.89, 3.89, 62.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 112 + HB3 SER 112 OK 100 100 - 100 HB2 SER 112 + HB2 SER 112 OK 100 100 - 100 Reference assignment not found: HB3 SER 112 - HB2 SER 112 Peak 5040 from cnoeabs.peaks (8.03, 3.89, 62.40 ppm; 3.21 A): 2 out of 8 assignments used, quality = 0.94: * H SER 112 + HB3 SER 112 OK 76 100 - 76 - 3.9=55, 1346/1.8=16...(9) H SER 112 + HB2 SER 112 OK 76 100 - 76 - 3.9=55, 1346/1.8=16...(9) H THR 116 - HB3 SER 112 OK 19 92 - 20 - 5032/3.0=6, 4.3/7973=5...(5) H THR 116 - HB2 SER 112 OK 19 92 - 20 - 5032/3.0=6, 4.3/7973=5...(5) H GLN 42 - HB3 SER 112 lone 6 85 - 7 - 5032/3.0=2, 5.2/6799=1 H GLN 42 - HB2 SER 112 lone 6 85 - 7 - 5032/3.0=2, 5.2/6799=1 H THR 19 - HB3 SER 112 lone 4 92 - 4 - 5032/3.0=2 H THR 19 - HB2 SER 112 lone 4 92 - 4 - 5032/3.0=2 Peak 5041 from cnoeabs.peaks (4.06, 3.89, 62.40 ppm; 2.85 A): 2 out of 18 assignments used, quality = 0.99: * HA SER 112 + HB3 SER 112 OK 88 100 - 88 - 3.0=84, 3.0/1346=9...(8) HA SER 112 + HB2 SER 112 OK 88 100 - 88 - 3.0=84, 3.0/1346=9...(8) HA LYS 109 - HB3 SER 112 OK 17 99 - 17 - 6208=5, 6208/1.8=5...(4) HA LYS 109 - HB2 SER 112 OK 17 99 - 17 - 6208=5, 6208/1.8=5...(4) HA LEU 55 - HB2 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA LEU 55 - HB3 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA SER 44 - HB2 SER 112 lone 6 98 - 6 - HA SER 44 - HB3 SER 112 lone 6 98 - 6 - HD3 PRO 37 - HB3 SER 112 lone 2 92 - 2 - HD3 PRO 37 - HB2 SER 112 lone 2 92 - 3 - HA TYR 102 - HB2 SER 112 lone 2 95 - 2 - HA TYR 102 - HB3 SER 112 lone 2 96 - 2 - HA LYS 31 - HB3 SER 112 lone 2 73 - 2 - HA LYS 31 - HB2 SER 112 lone 2 73 - 2 - HA GLN 16 - HB3 SER 112 lone 2 68 - 3 - HA GLN 16 - HB2 SER 112 lone 2 68 - 3 - HA VAL 120 - HB3 SER 112 lone 2 73 - 2 - HA VAL 120 - HB2 SER 112 lone 2 73 - 2 - Peak 5042 from cnoeabs.peaks (3.89, 3.89, 62.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 112 + HB3 SER 112 OK 100 100 - 100 HB2 SER 112 + HB2 SER 112 OK 100 100 - 100 Reference assignment not found: HB2 SER 112 - HB3 SER 112 Peak 5043 from cnoeabs.peaks (3.89, 3.89, 62.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 112 + HB3 SER 112 OK 100 100 - 100 HB2 SER 112 + HB2 SER 112 OK 100 100 - 100 Peak 5044 from cnoeabs.peaks (7.58, 4.44, 62.45 ppm; 3.94 A): 1 out of 12 assignments used, quality = 1.00: * H SER 113 + HA SER 113 OK 100 100 - 100 - 3.0=100 H CYS 76 - HA SER 113 OK 29 92 - 31 - 2.9/6232=7, 1349=6...(8) H ARG 57 - HA SER 113 OK 13 92 - 14 - 5048/3.0=3, 5886/4.9=3...(5) H LYS 119 - HA SER 113 OK 12 87 - 14 - 5052/3.0=3, 5048/3.0=2...(5) H LYS 119 - HA THR 121 poor 9 34 - 27 - 1792/3.0=15, ~6266=7...(4) H CYS 52 - HA SER 113 lone 8 99 - 8 - 576/3.6=2, 5052/3.0=2...(4) H SER 113 - HA THR 121 poor 5 45 - 12 - 1759/3.0=4, 1349=1 HE3 TRP 20 - HA SER 113 lone 3 60 - 4 - 576/3.6=1 H ARG 57 - HA THR 121 lone 2 37 - 7 - 1799/3.0=5 H CYS 76 - HA THR 121 lone 1 37 - 3 - H CYS 52 - HA THR 121 lone 1 44 - 2 - HE3 TRP 20 - HA THR 121 lone 0 21 - 1 - Peak 5045 from cnoeabs.peaks (4.44, 4.44, 62.45 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA SER 113 + HA SER 113 OK 100 100 - 100 HA THR 121 - HA THR 121 OK 21 21 - 100 Peak 5046 from cnoeabs.peaks (4.15, 4.44, 62.45 ppm; 4.01 A): 1 out of 24 assignments used, quality = 1.00: * HB2 SER 113 + HA SER 113 OK 100 100 - 100 - 3.0=100 HA ILE 124 - HA SER 113 OK 34 96 - 36 - 4.0/8126=5, 5054/3.0=4...(16) HA SER 78 - HA SER 113 OK 29 92 - 31 - 5054/3.0=5, ~1656=3...(16) HA ILE 124 - HA THR 121 OK 18 40 - 45 - 3.0/8110=13, 4.0/8117=8...(9) HB3 SER 78 - HA SER 113 OK 18 68 - 27 - 1.8/5047=4, 4042/3.0=4...(11) HA GLU 56 - HA SER 113 OK 10 90 - 11 - 3.6/5044=2, 5633/3.0=2, 7024=1 HA GLU 28 - HA SER 113 lone 7 100 - 7 - 3.6/888=2 HA PRO 37 - HA SER 113 lone 6 97 - 6 - 1350/3.0=1 HA ILE 63 - HA SER 113 lone 6 92 - 7 - 578/3.6=1, ~7124=1, 1350/3.0=1 HA PHE 83 - HA SER 113 lone 6 100 - 6 - 578/3.6=1 HA ALA 98 - HA SER 113 lone 5 90 - 6 - HA ASN 108 - HA SER 113 lone 5 97 - 5 - HB2 SER 113 - HA THR 121 lone 4 45 - 10 - 5049=2, 1.8/5053=1 HA ASN 108 - HA THR 121 lone 4 42 - 9 - 4866/3.6=3, 6198/3.0=2 HB3 SER 72 - HA SER 113 lone 3 93 - 3 - HA GLU 56 - HA THR 121 lone 2 36 - 6 - ~1799=1, ~1524=1 HA GLU 28 - HA THR 121 lone 2 44 - 5 - ~100=1, ~99=1 HA ALA 98 - HA THR 121 lone 2 36 - 6 - 4866/3.6=2, 6198/3.0=1 HA ILE 63 - HA THR 121 lone 1 37 - 3 - HA PHE 83 - HA THR 121 lone 1 44 - 2 - HA PRO 37 - HA THR 121 lone 1 42 - 2 - HA SER 78 - HA THR 121 lone 1 37 - 2 - HB3 SER 78 - HA THR 121 lone 1 25 - 2 - HB3 SER 72 - HA THR 121 lone 0 38 - 1 - Peak 5047 from cnoeabs.peaks (4.30, 4.44, 62.45 ppm; 3.82 A): 2 out of 14 assignments used, quality = 1.00: * HB3 SER 113 + HA SER 113 OK 100 100 - 100 - 3.0=100 HA LEU 114 + HA SER 113 OK 51 100 - 51 - 3.6/1768=8, 5051/3.0=7...(16) HB2 SER 78 - HA SER 113 OK 24 100 - 24 - 4037/3.0=5, ~4042=3...(9) HA LYS 65 - HA SER 113 OK 18 99 - 19 - 5674/3.6=6, 5051/3.0=3...(6) HA ALA 122 - HA THR 121 OK 11 22 - 50 - ~1524=11, ~624=11...(7) HA GLN 103 - HA SER 113 lone 5 73 - 6 - HB3 SER 113 - HA THR 121 lone 4 45 - 8 - 5053=2, 1.8/5049=1 HA GLU 94 - HA SER 113 lone 3 63 - 5 - HA ALA 122 - HA SER 113 lone 2 63 - 4 - HA LEU 114 - HA THR 121 lone 2 45 - 4 - HA LYS 65 - HA THR 121 lone 1 43 - 3 - HA GLN 103 - HA THR 121 lone 1 27 - 3 - HB2 SER 78 - HA THR 121 lone 1 45 - 1 - HA GLU 94 - HA THR 121 lone 0 22 - 2 - ~461=1 Peak 5048 from cnoeabs.peaks (7.58, 4.15, 63.31 ppm; 3.63 A): 3 out of 6 assignments used, quality = 0.89: * H SER 113 + HB2 SER 113 OK 84 100 - 84 - 4.0=75, 5052/1.8=22...(7) H CYS 76 + HB2 SER 113 OK 21 92 - 23 - 5052/1.8=6, 1350=4...(6) H ARG 57 + HB2 SER 113 OK 12 92 - 13 - 5052/1.8=3, 258=3...(4) H LYS 119 - HB2 SER 113 poor 9 87 - 11 - 5052/1.8=3, 5044/3.0=2 H CYS 52 - HB2 SER 113 lone 7 99 - 7 - 5052/1.8=2, 5044/3.0=1 HE3 TRP 20 - HB2 SER 113 lone 2 60 - 4 - Peak 5049 from cnoeabs.peaks (4.44, 4.15, 63.31 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 113 + HB2 SER 113 OK 100 100 - 100 - 3.0=100 HA SER 29 - HB2 SER 113 OK 11 100 - 11 - 5053/1.8=3, 2.9/106=2...(5) HA LYS 32 - HB2 SER 113 lone 7 90 - 7 - 5053/1.8=2, 1349/4.0=1 HA SER 90 - HB2 SER 113 lone 5 73 - 7 - 5053/1.8=1, 577/4.7=1 HA THR 121 - HB2 SER 113 lone 4 60 - 7 - 5053/1.8=1 HA PRO 60 - HB2 SER 113 lone 1 63 - 2 - Peak 5050 from cnoeabs.peaks (4.15, 4.15, 63.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 113 + HB2 SER 113 OK 100 100 - 100 Peak 5051 from cnoeabs.peaks (4.30, 4.15, 63.31 ppm; 2.96 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 113 + HB2 SER 113 OK 100 100 - 100 - 1.8=100 HA LEU 114 - HB2 SER 113 OK 33 100 - 34 - 3.0/5890=8, ~5891=5...(11) HB2 SER 78 - HB2 SER 113 OK 22 100 - 22 - 4037=5, 1.8/4041=4...(8) HA LYS 65 - HB2 SER 113 OK 16 99 - 16 - 5674/4.7=2, 4.0/7931=2...(7) HA GLN 103 - HB2 SER 113 lone 3 73 - 4 - HA GLU 94 - HB2 SER 113 lone 2 63 - 3 - HA ALA 122 - HB2 SER 113 lone 1 63 - 2 - Peak 5052 from cnoeabs.peaks (7.58, 4.30, 63.31 ppm; 3.69 A): 4 out of 6 assignments used, quality = 0.92: * H SER 113 + HB3 SER 113 OK 86 100 - 86 - 4.0=78, 5048/1.8=23...(5) H CYS 76 + HB3 SER 113 OK 23 92 - 25 - 5048/1.8=6, 1351=5...(6) H LYS 119 + HB3 SER 113 OK 11 87 - 13 - 4.6/1786=3, 5048/1.8=3...(5) H ARG 57 + HB3 SER 113 OK 10 92 - 11 - 5048/1.8=3, 5044/3.0=2 H CYS 52 - HB3 SER 113 lone 8 99 - 8 - 5048/1.8=2, 5044/3.0=1 HE3 TRP 20 - HB3 SER 113 lone 2 60 - 4 - Peak 5053 from cnoeabs.peaks (4.44, 4.30, 63.31 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 113 + HB3 SER 113 OK 100 100 - 100 - 3.0=100 HA SER 29 - HB3 SER 113 OK 11 100 - 11 - 5049/1.8=3, ~106=1...(4) HA LYS 32 - HB3 SER 113 lone 7 90 - 8 - 5049/1.8=2, 1349/4.0=1 HA SER 90 - HB3 SER 113 lone 5 73 - 7 - 5049/1.8=2, 577/4.7=1 HA THR 121 - HB3 SER 113 lone 4 60 - 7 - 5049/1.8=1 HA PRO 60 - HB3 SER 113 lone 2 63 - 3 - Peak 5054 from cnoeabs.peaks (4.15, 4.30, 63.31 ppm; 3.01 A): 1 out of 12 assignments used, quality = 1.00: * HB2 SER 113 + HB3 SER 113 OK 100 100 - 100 - 1.8=100 HA SER 78 - HB3 SER 113 OK 22 92 - 24 - 4034=4, 3.0/4042=4...(10) HA ILE 124 - HB3 SER 113 OK 21 96 - 22 - 3.0/7935=3, 3.2/7936=2...(11) HB3 SER 78 - HB3 SER 113 OK 16 68 - 24 - 4042=5, 4041/1.8=3...(10) HA GLU 56 - HB3 SER 113 lone 5 90 - 5 - 3.6/5052=1 HA ALA 98 - HB3 SER 113 lone 5 90 - 5 - HA PHE 83 - HB3 SER 113 lone 4 100 - 4 - HA ILE 63 - HB3 SER 113 lone 3 92 - 4 - HA PRO 37 - HB3 SER 113 lone 3 97 - 4 - HA ASN 108 - HB3 SER 113 lone 3 97 - 3 - HA GLU 28 - HB3 SER 113 lone 3 100 - 3 - HB3 SER 72 - HB3 SER 113 lone 1 93 - 2 - Peak 5055 from cnoeabs.peaks (4.30, 4.30, 63.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 113 + HB3 SER 113 OK 100 100 - 100 Peak 5056 from cnoeabs.peaks (7.97, 4.29, 57.63 ppm; 4.12 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.0=100 H VAL 66 - HA LEU 114 OK 45 97 - 46 - 306=9, 4.0/7194=7...(15) H ARG 92 - HA LEU 114 OK 32 97 - 32 - 5070/3.0=5, 5063/3.0=4...(13) H ALA 89 - HA LEU 114 OK 26 92 - 28 - 1517/3.6=4, 5063/3.0=3...(10) HE ARG 85 - HA LEU 114 OK 16 97 - 16 - 5070/3.0=2, 5063/3.0=2...(7) H THR 17 - HA LEU 114 OK 14 78 - 18 - 5063/3.0=3, 580/3.6=2...(9) H SER 44 - HA LEU 114 poor 10 73 - 13 - 580/3.6=2, 5070/3.0=1...(4) Peak 5057 from cnoeabs.peaks (4.29, 4.29, 57.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + HA LEU 114 OK 100 100 - 100 Peak 5058 from cnoeabs.peaks (2.08, 4.29, 57.63 ppm; 4.01 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.0=100 HB3 PRO 70 - HA LEU 114 OK 23 78 - 29 - 1.8/6239=5, 5072/3.0=3...(13) HB3 GLN 16 - HA LEU 114 OK 22 100 - 22 - 5072/3.0=2, 4.1/6235=2...(10) HB2 GLN 16 - HA LEU 114 OK 22 100 - 22 - 5072/3.0=2, 4.1/6235=2...(10) HG LEU 21 - HA LEU 114 OK 13 100 - 13 - 5072/3.0=2, 5086/4.0=2...(7) HB2 ARG 57 - HA LEU 114 OK 13 97 - 13 - 4.2/6241=3, 1354/3.0=1...(5) HB2 LEU 101 - HA LEU 114 OK 11 87 - 13 - 5072/3.0=2, 5086/4.0=2...(5) HB2 GLU 15 - HA LEU 114 OK 10 100 - 10 - 582/3.6=3, 5072/3.0=1 HB ILE 63 - HA LEU 114 poor 9 87 - 11 - ~7123=2, 1354/3.0=1 HB3 GLU 38 - HA LEU 114 lone 8 78 - 10 - 3.0/6239=1, 3.0/6239=1 HG3 GLU 69 - HA LEU 114 lone 7 98 - 7 - 582/3.6=2 HG2 GLU 64 - HA LEU 114 lone 6 97 - 6 - 1.8/6239=1 HB2 GLN 105 - HA LEU 114 lone 6 100 - 6 - HB3 ARG 81 - HA LEU 114 lone 3 57 - 4 - Peak 5059 from cnoeabs.peaks (1.50, 4.29, 57.63 ppm; 3.85 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.0=100 HG LEU 91 - HA LEU 114 OK 36 97 - 37 - 2.1/5062=4, 5066/3.0=4...(18) HG LEU 93 - HA LEU 114 OK 26 99 - 27 - 2.1/5061=4, ~8528=3...(13) HG3 ARG 92 - HA LEU 114 OK 21 99 - 21 - 5066/3.0=2, 4.9/5056=2...(12) HG2 ARG 92 - HA LEU 114 OK 21 97 - 21 - 5066/3.0=2, 4.9/5056=2...(12) HD3 LYS 46 - HA LEU 114 OK 20 63 - 32 - 5.7/7953=3, 3.5/6237=3...(14) HB3 LEU 58 - HA LEU 114 OK 17 95 - 18 - 4.6/6236=3, 3.9/6241=3...(5) HG2 ARG 85 - HA LEU 114 OK 16 100 - 16 - 7497/3.0=2, 5066/3.0=2...(6) HB2 LEU 24 - HA LEU 114 lone 8 99 - 8 - 5066/3.0=1 HG2 LYS 109 - HA LEU 114 lone 5 83 - 6 - Peak 5060 from cnoeabs.peaks (1.98, 4.29, 57.63 ppm; 4.21 A): 1 out of 14 assignments used, quality = 0.98: * HG LEU 114 + HA LEU 114 OK 98 100 - 98 - 4.3=96, 2.1/5085=21...(11) HB2 LYS 46 - HA LEU 114 OK 38 87 - 44 - 4.0/7953=6, 1.8/6237=5...(17) HB3 PRO 68 - HA LEU 114 OK 38 100 - 38 - 1.8/6239=7, 5074/3.0=4...(16) HG2 PRO 68 - HA LEU 114 OK 34 100 - 35 - 2.3/6239=7, 5078=4...(12) HB3 GLN 103 - HA LEU 114 OK 30 100 - 30 - 4733=4, 4.6/7953=4...(14) HB2 GLU 94 - HA LEU 114 OK 22 87 - 25 - 3.0/6239=3, 4519=2...(11) HB2 LEU 55 - HA LEU 114 OK 20 81 - 25 - 3.1/5061=4, 584/3.6=3...(12) HB3 GLU 94 - HA LEU 114 OK 15 68 - 22 - 3.0/6239=3, 1.8/4519=2...(12) HB2 LEU 41 - HA LEU 114 OK 13 100 - 13 - 584/3.6=3, 1356/3.0=2...(5) HB ILE 124 - HA LEU 114 OK 12 100 - 12 - 1356/3.0=2 HG LEU 45 - HA LEU 114 lone 8 99 - 8 - 3.0/6237=1, 1356/3.0=1 HB2 MET 11 - HA LEU 114 lone 7 99 - 7 - 4.2/6236=1 HG2 PRO 60 - HA LEU 114 lone 5 95 - 5 - HB2 ARG 71 - HA LEU 114 lone 4 99 - 4 - Peak 5061 from cnoeabs.peaks (0.85, 4.29, 57.63 ppm; 3.18 A): 6 out of 8 assignments used, quality = 0.88: * QD2 LEU 114 + HA LEU 114 OK 71 100 - 71 - 4.0=50, 5084/3.0=8...(14) QG1 VAL 115 + HA LEU 114 OK 24 78 - 30 - 5108/3.6=8, 4.3/6235=5...(12) HG13 ILE 80 + HA LEU 114 OK 16 89 - 18 - 4090/3.6=5, 5.1/5892=3...(7) QD2 LEU 55 + HA LEU 114 OK 15 100 - 15 - 5075/3.0=2, 5068/3.0=2...(6) QD1 LEU 93 + HA LEU 114 OK 14 76 - 18 - 2.1/5059=2, 8528/3.0=2...(5) QD1 LEU 59 + HA LEU 114 OK 13 97 - 14 - 4.6/6236=2, 5075/3.0=2 HG13 ILE 22 - HA LEU 114 lone 7 93 - 7 - 585/3.6=1, 1357/3.0=1 QD2 LEU 126 - HA LEU 114 lone 2 83 - 3 - Peak 5062 from cnoeabs.peaks (0.72, 4.29, 57.63 ppm; 4.04 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 114 + HA LEU 114 OK 100 100 - 100 - 4.0=100 QD1 LEU 91 - HA LEU 114 OK 37 83 - 44 - 2.1/5059=5, 5076/3.0=4...(20) QD2 LEU 111 - HA LEU 114 OK 34 98 - 35 - 586/3.6=5, 5069/3.0=4...(12) QG1 VAL 66 - HA LEU 114 OK 27 63 - 44 - 2.1/7194=10, 7193=8...(14) QD2 LEU 54 - HA LEU 114 OK 27 89 - 30 - 5069/3.0=4, 5076/3.0=4...(12) HG LEU 111 - HA LEU 114 OK 22 65 - 33 - 4.9/6235=6, 586/3.6=3...(13) QD1 LEU 84 - HA LEU 114 OK 19 73 - 26 - ~7557=4, 5069/3.0=3...(11) HG3 GLU 75 - HA LEU 114 OK 16 81 - 19 - 3.6/6094=5, 3.0/6237=3...(5) Peak 5063 from cnoeabs.peaks (7.97, 2.08, 41.47 ppm; 4.06 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 4.0=100 H VAL 66 - HB2 LEU 114 OK 31 97 - 32 - 306/3.0=8, 5070/1.8=5...(10) H ARG 92 - HB2 LEU 114 OK 30 97 - 31 - 5070/1.8=6, 5084/3.1=5...(12) H ALA 89 - HB2 LEU 114 OK 23 92 - 25 - 1354=4, 5084/3.1=4...(8) H THR 17 - HB2 LEU 114 OK 19 78 - 24 - 4.0/7942=4, 5070/1.8=3...(10) HE ARG 85 - HB2 LEU 114 OK 15 97 - 15 - 5070/1.8=3, 5056/3.0=2...(6) H SER 44 - HB2 LEU 114 OK 10 73 - 14 - 3.6/7942=2, 5070/1.8=2...(7) Peak 5064 from cnoeabs.peaks (4.29, 2.08, 41.47 ppm; 4.17 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.0=100 HB3 SER 113 + HB2 LEU 114 OK 57 100 - 57 - 5891/4.0=12, 5085/3.1=9...(14) HA LYS 65 - HB2 LEU 114 OK 36 100 - 37 - 5674/4.0=7, 5071/1.8=6...(13) HA GLN 103 - HB2 LEU 114 OK 20 83 - 24 - 5071/1.8=3, 5.4/7952=3...(11) HA GLU 94 - HB2 LEU 114 OK 18 73 - 25 - 5071/1.8=3, 5085/3.1=2...(11) HB2 SER 78 - HB2 LEU 114 OK 18 100 - 18 - 5071/1.8=3, 5085/3.1=2...(9) HA ALA 122 - HB2 LEU 114 lone 2 73 - 3 - Peak 5065 from cnoeabs.peaks (2.08, 2.08, 41.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 114 + HB2 LEU 114 OK 100 100 - 100 Peak 5066 from cnoeabs.peaks (1.50, 2.08, 41.47 ppm; 3.48 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 1.8=100 HG LEU 91 - HB2 LEU 114 OK 30 97 - 31 - 2.1/5069=3, 5059/3.0=3...(15) HD3 LYS 46 - HB2 LEU 114 OK 23 63 - 36 - 2.9/7942=4, 2.9/7942=4...(14) HG LEU 93 - HB2 LEU 114 OK 22 99 - 22 - 5087/3.1=3, 5059/3.0=2...(10) HG3 ARG 92 - HB2 LEU 114 OK 17 99 - 17 - 5087/3.1=2, 5059/3.0=2...(7) HG2 ARG 92 - HB2 LEU 114 OK 17 97 - 17 - 5087/3.1=2, 5059/3.0=2...(7) HB3 LEU 58 - HB2 LEU 114 OK 13 95 - 13 - 5087/3.1=2, 5059/3.0=1...(4) HG2 ARG 85 - HB2 LEU 114 OK 12 100 - 12 - 7497/4.0=1, 5059/3.0=1...(5) HB2 LEU 24 - HB2 LEU 114 lone 8 99 - 8 - HG2 LYS 109 - HB2 LEU 114 lone 3 83 - 4 - Peak 5067 from cnoeabs.peaks (1.98, 2.08, 41.47 ppm; 4.05 A): 4 out of 14 assignments used, quality = 1.00: * HG LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.0=100 HB3 PRO 68 + HB2 LEU 114 OK 54 100 - 54 - 5074/1.8=5, ~7958=5...(29) HB2 LYS 46 + HB2 LEU 114 OK 47 87 - 54 - 4.0/7952=6, 2.9/7942=6...(21) HG2 PRO 68 + HB2 LEU 114 OK 46 100 - 46 - 5079=5, 5074/1.8=4...(20) HB2 LEU 55 - HB2 LEU 114 OK 26 81 - 33 - 3.1/5068=3, ~7012=3...(17) HB3 GLN 103 - HB2 LEU 114 OK 26 100 - 26 - 4.6/7952=3, 4733/3.0=3...(11) HB2 GLU 94 - HB2 LEU 114 OK 22 87 - 26 - 5074/1.8=2, 2.9/5064=2...(9) HB3 GLU 94 - HB2 LEU 114 OK 17 68 - 24 - 2.9/5064=2, 5074/1.8=2...(11) HB2 LEU 41 - HB2 LEU 114 OK 13 100 - 13 - 584/4.6=2, 1356/4.0=1...(5) HB ILE 124 - HB2 LEU 114 OK 10 100 - 10 - 1356/4.0=2 HG LEU 45 - HB2 LEU 114 lone 9 99 - 9 - HG2 PRO 60 - HB2 LEU 114 lone 8 95 - 8 - ~7089=1 HB2 MET 11 - HB2 LEU 114 lone 6 99 - 6 - HB2 ARG 71 - HB2 LEU 114 lone 5 99 - 5 - Peak 5068 from cnoeabs.peaks (0.85, 2.08, 41.47 ppm; 3.97 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.1=100 QG1 VAL 115 - HB2 LEU 114 OK 37 78 - 48 - 4.0/582=11, 3.2/6221=6...(17) HG13 ILE 80 - HB2 LEU 114 OK 35 89 - 39 - 4090/4.6=6, 5.1/5893=5...(16) QD2 LEU 55 - HB2 LEU 114 OK 29 100 - 29 - 5075/1.8=5, 5061/3.0=3...(10) QD1 LEU 93 - HB2 LEU 114 OK 22 76 - 29 - 5075/1.8=4, 2.1/5066=4...(11) QD1 LEU 59 - HB2 LEU 114 OK 21 97 - 22 - 5075/1.8=3, 5061/3.0=3...(11) HG13 ILE 22 - HB2 LEU 114 OK 12 93 - 13 - 5075/1.8=2, 585/4.6=2...(5) QD2 LEU 126 - HB2 LEU 114 lone 4 83 - 4 - Peak 5069 from cnoeabs.peaks (0.72, 2.08, 41.47 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.1=100 QD2 LEU 111 - HB2 LEU 114 OK 36 98 - 37 - 4.0/6220=6, 5076/1.8=5...(11) QD2 LEU 54 - HB2 LEU 114 OK 33 89 - 37 - 5076/1.8=4, 5090/3.1=4...(20) QD1 LEU 91 - HB2 LEU 114 OK 29 83 - 35 - 5076/1.8=4, 2.1/5066=4...(15) QD1 LEU 84 - HB2 LEU 114 OK 27 73 - 37 - ~7946=4, ~7232=4...(17) HG LEU 111 - HB2 LEU 114 OK 21 65 - 33 - 4.3/6220=6, 2.1/7909=4...(13) QG1 VAL 66 - HB2 LEU 114 OK 15 63 - 23 - 7193/3.0=4, ~7194=4...(8) HG3 GLU 75 - HB2 LEU 114 OK 12 81 - 14 - 3.0/7315=2, 3.6/7310=2...(5) Peak 5070 from cnoeabs.peaks (7.97, 1.50, 41.47 ppm; 4.13 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 4.0=100 H ARG 92 - HB3 LEU 114 OK 41 97 - 42 - 1226=6, 5063/1.8=5...(18) H VAL 66 - HB3 LEU 114 OK 31 97 - 32 - 306/3.0=8, 5063/1.8=5...(9) H ALA 89 - HB3 LEU 114 OK 24 92 - 26 - 5063/1.8=4, 5084/3.1=4...(8) HE ARG 85 - HB3 LEU 114 OK 20 97 - 20 - 8714=3, 5063/1.8=3...(9) H THR 17 - HB3 LEU 114 OK 17 78 - 21 - 4.0/7943=4, 5063/1.8=3...(10) H SER 44 - HB3 LEU 114 OK 12 73 - 16 - 3.6/7943=2, 580/4.6=2...(8) Peak 5071 from cnoeabs.peaks (4.29, 1.50, 41.47 ppm; 3.95 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.0=100 HB3 SER 113 + HB3 LEU 114 OK 50 100 - 51 - 5891/4.0=11, 5085/3.1=9...(13) HA LYS 65 - HB3 LEU 114 OK 32 100 - 32 - 5674/4.0=6, 5064/1.8=5...(11) HA GLN 103 - HB3 LEU 114 OK 18 83 - 22 - 5064/1.8=3, 5.4/7951=2...(9) HA GLU 94 - HB3 LEU 114 OK 16 73 - 22 - 3.0/462=3, 5064/1.8=2...(9) HB2 SER 78 - HB3 LEU 114 OK 15 100 - 15 - 5064/1.8=2, 5085/3.1=2...(8) HA ALA 122 - HB3 LEU 114 lone 2 73 - 3 - Peak 5072 from cnoeabs.peaks (2.08, 1.50, 41.47 ppm; 3.38 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 1.8=100 HB3 PRO 70 - HB3 LEU 114 OK 20 78 - 26 - 3.0/6223=2, 5086/3.1=2...(14) HG LEU 21 - HB3 LEU 114 OK 15 100 - 15 - ~6411=2, 5086/3.1=2...(6) HB3 GLN 16 - HB3 LEU 114 OK 14 100 - 14 - 5058/3.0=2, 5086/3.1=2...(6) HB2 GLN 16 - HB3 LEU 114 OK 14 100 - 14 - 5058/3.0=2, 5086/3.1=2...(6) HB2 LEU 101 - HB3 LEU 114 OK 11 87 - 12 - 5086/3.1=1, ~7713=1...(4) HB2 ARG 57 - HB3 LEU 114 lone 9 97 - 9 - 5086/3.1=1, 5058/3.0=1 HB2 GLU 15 - HB3 LEU 114 lone 7 100 - 7 - 582/4.6=1 HB3 GLU 38 - HB3 LEU 114 lone 6 78 - 7 - HG3 GLU 69 - HB3 LEU 114 lone 5 98 - 5 - HB ILE 63 - HB3 LEU 114 lone 5 87 - 5 - HG2 GLU 64 - HB3 LEU 114 lone 5 97 - 5 - HB2 GLN 105 - HB3 LEU 114 lone 4 100 - 4 - HB3 ARG 81 - HB3 LEU 114 lone 2 57 - 4 - Peak 5073 from cnoeabs.peaks (1.50, 1.50, 41.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 114 + HB3 LEU 114 OK 100 100 - 100 Peak 5074 from cnoeabs.peaks (1.98, 1.50, 41.47 ppm; 3.98 A): 3 out of 14 assignments used, quality = 1.00: * HG LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.0=100 HB3 PRO 68 + HB3 LEU 114 OK 52 100 - 52 - 5067/1.8=5, 5088/3.1=5...(26) HB2 LYS 46 + HB3 LEU 114 OK 46 87 - 53 - 4.0/7951=7, 2.9/7943=6...(21) HG2 PRO 68 - HB3 LEU 114 OK 44 100 - 44 - 5067/1.8=4, 5088/3.1=4...(20) HB2 LEU 55 - HB3 LEU 114 OK 26 81 - 33 - 3.0/7012=4, 3.1/5075=3...(16) HB3 GLN 103 - HB3 LEU 114 OK 25 100 - 25 - 4.6/7951=3, 4733/3.0=3...(10) HB2 GLU 94 - HB3 LEU 114 OK 22 87 - 26 - 5067/1.8=2, 2.9/5071=2...(10) HB3 GLU 94 - HB3 LEU 114 OK 17 68 - 25 - 2.9/5071=2, 4.0/462=2...(11) HB2 LEU 41 - HB3 LEU 114 OK 12 100 - 12 - 584/4.6=2, 1356/4.0=1...(5) HB ILE 124 - HB3 LEU 114 lone 10 100 - 10 - 1356/4.0=2 HG LEU 45 - HB3 LEU 114 lone 8 99 - 8 - HG2 PRO 60 - HB3 LEU 114 lone 7 95 - 7 - HB2 MET 11 - HB3 LEU 114 lone 6 99 - 6 - HB2 ARG 71 - HB3 LEU 114 lone 4 99 - 4 - Peak 5075 from cnoeabs.peaks (0.85, 1.50, 41.47 ppm; 3.80 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.1=100 QG1 VAL 115 - HB3 LEU 114 OK 34 78 - 43 - 5108/4.6=9, 3.2/6223=6...(16) HG13 ILE 80 - HB3 LEU 114 OK 30 89 - 35 - 4090/4.6=5, 5068/1.8=5...(16) QD2 LEU 55 - HB3 LEU 114 OK 29 100 - 29 - 5068/1.8=4, 5061/3.0=3...(11) QD1 LEU 93 - HB3 LEU 114 OK 23 76 - 31 - 5068/1.8=3, 5061/3.0=3...(15) QD1 LEU 59 - HB3 LEU 114 OK 21 97 - 21 - 5068/1.8=3, 5061/3.0=3...(11) HG13 ILE 22 - HB3 LEU 114 OK 11 93 - 11 - 5068/1.8=2, 585/4.6=1...(4) QD2 LEU 126 - HB3 LEU 114 lone 3 83 - 4 - Peak 5076 from cnoeabs.peaks (0.72, 1.50, 41.47 ppm; 3.58 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.1=100 QD2 LEU 111 - HB3 LEU 114 OK 33 98 - 34 - 5069/1.8=5, 4.0/6222=4...(12) QD1 LEU 91 - HB3 LEU 114 OK 30 83 - 37 - 5069/1.8=4, 5062/3.0=3...(17) QD2 LEU 54 - HB3 LEU 114 OK 30 89 - 33 - 5069/1.8=4, 5090/3.1=4...(17) QD1 LEU 84 - HB3 LEU 114 OK 26 73 - 35 - ~7946=4, ~7232=4...(15) HG LEU 111 - HB3 LEU 114 OK 20 65 - 30 - 4.3/6222=4, ~5069=3...(13) QG1 VAL 66 - HB3 LEU 114 OK 14 63 - 22 - 7193/3.0=4, ~7194=4...(8) HG3 GLU 75 - HB3 LEU 114 poor 10 81 - 12 - ~7315=2, 5069/1.8=2...(4) Peak 5077 from cnoeabs.peaks (7.97, 1.98, 26.72 ppm; 3.68 A): 9 out of 14 assignments used, quality = 0.94: * H LEU 114 + HG LEU 114 OK 74 100 - 74 - 5.2=35, 5084/2.1=14...(15) H VAL 66 + HG LEU 114 OK 24 97 - 24 - 5084/2.1=5, 306/4.3=5...(8) H ARG 92 + HG LEU 114 OK 23 97 - 24 - 5084/2.1=5, 5070/3.0=4...(7) H LEU 114 + HG2 PRO 68 OK 19 71 - 28 - 1356=4, 1356/2.3=3...(12) H ALA 89 + HG LEU 114 OK 19 92 - 20 - 5084/2.1=4, 1356=3...(7) H VAL 66 + HG2 PRO 68 OK 13 66 - 20 - 4.0/7180=5, ~7175=4...(9) H THR 17 + HG LEU 114 OK 13 78 - 16 - 4.0/6338=4, 5084/2.1=2...(9) H ARG 92 + HG2 PRO 68 OK 11 66 - 18 - 1224/1.8=3, 1223/3.8=2...(6) HE ARG 85 + HG LEU 114 OK 11 97 - 11 - 5070/3.0=2, 5084/2.1=2...(5) H SER 44 - HG LEU 114 poor 8 73 - 11 - 5084/2.1=1, 5070/3.0=1...(5) H SER 44 - HG2 PRO 68 lone 4 44 - 9 - 184/2.3=1, 184/2.3=1...(4) H ALA 89 - HG2 PRO 68 lone 3 59 - 4 - HE ARG 85 - HG2 PRO 68 lone 2 66 - 3 - H THR 17 - HG2 PRO 68 lone 1 48 - 2 - Peak 5078 from cnoeabs.peaks (4.29, 1.98, 26.72 ppm; 4.29 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 114 + HG LEU 114 OK 100 100 - 100 - 4.3=100 HB3 SER 113 + HG LEU 114 OK 59 100 - 59 - 5085/2.1=11, 5891/5.2=10...(13) HA LYS 65 - HG LEU 114 OK 33 100 - 33 - 5085/2.1=6, 5674/5.2=5...(9) HA LEU 114 - HG2 PRO 68 OK 27 71 - 38 - 6239/2.3=7, 5060=5...(13) HA GLN 103 - HG LEU 114 OK 21 83 - 25 - 5085/2.1=3, 4719=3...(14) HA GLU 94 - HG LEU 114 OK 18 73 - 24 - 5085/2.1=3, ~464=2...(11) HB2 SER 78 - HG LEU 114 OK 14 100 - 14 - 5085/2.1=3, 5064/3.0=2...(5) HA GLU 94 - HG2 PRO 68 OK 13 44 - 30 - 4514/2.3=2, 2.9/4526=2...(15) HB3 SER 113 - HG2 PRO 68 poor 9 70 - 14 - 4.7/1356=2, 7935=2...(6) HA LYS 65 - HG2 PRO 68 lone 6 70 - 9 - 3.6/5077=2, 7167/7180=1 HA GLN 103 - HG2 PRO 68 lone 4 52 - 8 - HB2 SER 78 - HG2 PRO 68 lone 2 69 - 3 - HA ALA 122 - HG LEU 114 lone 2 73 - 3 - HA ALA 122 - HG2 PRO 68 lone 1 44 - 1 - Peak 5079 from cnoeabs.peaks (2.08, 1.98, 26.72 ppm; 3.75 A): 1 out of 28 assignments used, quality = 1.00: * HB2 LEU 114 + HG LEU 114 OK 100 100 - 100 - 3.0=100 HB2 LEU 114 - HG2 PRO 68 OK 31 71 - 43 - 5067=5, 5067/2.3=4...(19) HB3 PRO 70 - HG LEU 114 OK 23 78 - 30 - 5086/2.1=3, 5072/3.0=3...(11) HG LEU 21 - HG LEU 114 OK 17 100 - 17 - ~6411=3, 5086/2.1=3...(7) HB3 GLN 16 - HG LEU 114 OK 16 100 - 16 - 5086/2.1=3, 5072/3.0=2...(8) HB2 GLN 16 - HG LEU 114 OK 16 100 - 16 - 5086/2.1=3, 5072/3.0=2...(8) HB2 LEU 101 - HG LEU 114 OK 14 87 - 17 - ~7713=3, 5086/2.1=2...(4) HB3 PRO 70 - HG2 PRO 68 OK 14 48 - 29 - 3818/2.3=3, ~3739=3...(15) HB2 ARG 57 - HG LEU 114 lone 9 97 - 9 - 5086/2.1=2, 5072/3.0=1 HB3 GLU 38 - HG LEU 114 lone 7 78 - 9 - 3.0/6005=1, 5086/2.1=1 HB2 GLU 15 - HG LEU 114 lone 7 100 - 7 - 5086/2.1=1 HG3 GLU 69 - HG LEU 114 lone 6 98 - 7 - 5.0/323=1 HB2 GLN 105 - HG LEU 114 lone 6 100 - 5 - HB ILE 63 - HG LEU 114 lone 5 87 - 6 - HG2 GLU 64 - HG LEU 114 lone 5 97 - 5 - HG3 GLU 69 - HG2 PRO 68 lone 4 67 - 7 - 5.0/323=5 HB ILE 63 - HG2 PRO 68 lone 4 55 - 7 - ~7152=2, ~7236=1 HB3 ARG 81 - HG LEU 114 lone 3 57 - 6 - HB3 GLU 38 - HG2 PRO 68 lone 3 48 - 5 - 3.0/6005=1 HB2 GLU 15 - HG2 PRO 68 lone 3 69 - 4 - HG2 GLU 64 - HG2 PRO 68 lone 2 66 - 3 - HB2 ARG 57 - HG2 PRO 68 lone 1 66 - 2 - HG LEU 21 - HG2 PRO 68 lone 1 71 - 2 - HB2 GLN 105 - HG2 PRO 68 lone 1 69 - 2 - HB3 GLN 16 - HG2 PRO 68 lone 1 70 - 2 - HB2 GLN 16 - HG2 PRO 68 lone 1 70 - 2 - HB2 LEU 101 - HG2 PRO 68 lone 1 55 - 2 - HB3 ARG 81 - HG2 PRO 68 lone 0 33 - 1 - Peak 5080 from cnoeabs.peaks (1.50, 1.98, 26.72 ppm; 4.32 A): 1 out of 20 assignments used, quality = 1.00: * HB3 LEU 114 + HG LEU 114 OK 100 100 - 100 - 3.0=100 HG LEU 91 - HG LEU 114 OK 38 97 - 40 - 5087/2.1=5, 5066/3.0=5...(20) HB3 LEU 114 - HG2 PRO 68 OK 37 71 - 53 - 5074=6, 5074/2.3=5...(23) HG LEU 93 - HG LEU 114 OK 31 99 - 32 - 5087/2.1=5, 4.3/7598=4...(13) HD3 LYS 46 - HG LEU 114 OK 28 63 - 44 - ~7959=5, 5087/2.1=4...(25) HG3 ARG 92 - HG LEU 114 OK 23 99 - 23 - 5087/2.1=3, 5066/3.0=3...(10) HG2 ARG 92 - HG LEU 114 OK 23 97 - 23 - 5087/2.1=3, 5066/3.0=3...(10) HB3 LEU 58 - HG LEU 114 OK 16 95 - 17 - 5087/2.1=3, ~7056=3...(4) HG2 ARG 85 - HG LEU 114 OK 15 100 - 15 - 5087/2.1=2, 7497/5.2=2...(7) HD3 LYS 46 - HG2 PRO 68 OK 14 37 - 39 - ~6866=4, 6867/2.3=4...(16) HG3 ARG 92 - HG2 PRO 68 OK 13 67 - 19 - ~3735=2, ~3742=2...(9) HG2 ARG 92 - HG2 PRO 68 OK 12 66 - 19 - ~3735=2, ~3742=2...(9) HB2 LEU 24 - HG LEU 114 lone 10 99 - 10 - 5066/3.0=1, 5087/2.1=1 HG2 ARG 85 - HG2 PRO 68 lone 7 70 - 9 - 4299/2.3=1, 4299/2.3=1 HG2 LYS 109 - HG2 PRO 68 lone 5 52 - 9 - ~4923=1, ~3735=1 HB3 LEU 58 - HG2 PRO 68 lone 5 62 - 7 - HG2 LYS 109 - HG LEU 114 lone 4 83 - 5 - HG LEU 93 - HG2 PRO 68 lone 3 67 - 5 - HG LEU 91 - HG2 PRO 68 lone 2 65 - 4 - HB2 LEU 24 - HG2 PRO 68 lone 2 69 - 3 - Peak 5081 from cnoeabs.peaks (1.98, 1.98, 26.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 114 + HG LEU 114 OK 100 100 - 100 HG2 PRO 68 + HG2 PRO 68 OK 71 71 - 100 Peak 5082 from cnoeabs.peaks (0.85, 1.98, 26.72 ppm; 3.57 A): 1 out of 16 assignments used, quality = 1.00: * QD2 LEU 114 + HG LEU 114 OK 100 100 - 100 - 2.1=100 QD2 LEU 55 - HG2 PRO 68 OK 34 70 - 49 - 7013/2.3=4, 7013/2.3=4...(28) QD2 LEU 114 - HG2 PRO 68 OK 31 71 - 44 - 7958/2.3=7, 5088=5...(18) QG1 VAL 115 - HG LEU 114 OK 30 78 - 38 - 4.0/5895=6, 3.2/7944=4...(16) QD2 LEU 55 - HG LEU 114 OK 26 100 - 26 - 5075/3.0=3, 5068/3.0=3...(14) HG13 ILE 80 - HG LEU 114 OK 24 89 - 27 - 5.1/5895=3, 5068/3.0=3...(13) QD1 LEU 93 - HG LEU 114 OK 19 76 - 25 - 3.8/7598=3, 5075/3.0=2...(10) QD1 LEU 59 - HG LEU 114 OK 18 97 - 18 - 5075/3.0=2, 5068/3.0=2...(7) HG13 ILE 22 - HG LEU 114 lone 9 93 - 9 - 5068/3.0=1, 5075/3.0=1 HG13 ILE 22 - HG2 PRO 68 lone 5 61 - 8 - 2172/1.8=1 QG1 VAL 115 - HG2 PRO 68 lone 4 48 - 8 - 4.0/5895=1, 2.1/8168=1 QD1 LEU 59 - HG2 PRO 68 lone 4 66 - 5 - QD2 LEU 126 - HG LEU 114 lone 3 83 - 4 - QD2 LEU 126 - HG2 PRO 68 lone 2 52 - 4 - QD1 LEU 93 - HG2 PRO 68 lone 2 46 - 4 - HG13 ILE 80 - HG2 PRO 68 lone 1 56 - 2 - Peak 5083 from cnoeabs.peaks (0.72, 1.98, 26.72 ppm; 3.44 A): 1 out of 16 assignments used, quality = 1.00: * QD1 LEU 114 + HG LEU 114 OK 100 100 - 100 - 2.1=100 QD2 LEU 111 - HG LEU 114 OK 31 98 - 31 - 4.0/8418=5, 5090/2.1=4...(13) QD2 LEU 54 - HG LEU 114 OK 30 89 - 34 - 5090/2.1=5, ~3211=3...(16) QD1 LEU 114 - HG2 PRO 68 OK 28 71 - 40 - 2.1/5088=4, ~7958=4...(19) QD1 LEU 84 - HG LEU 114 OK 26 73 - 35 - ~7946=6, 5090/2.1=4...(16) QD1 LEU 91 - HG LEU 114 OK 24 83 - 29 - 5090/2.1=3, 5076/3.0=3...(12) HG LEU 111 - HG LEU 114 OK 18 65 - 28 - 4.3/8418=4, 5090/2.1=2...(12) QG1 VAL 66 - HG2 PRO 68 OK 17 37 - 47 - 7179/1.8=7, 7227/2.3=6...(15) QG1 VAL 66 - HG LEU 114 OK 10 63 - 16 - 7193/4.3=3, 4.0/5077=2...(9) HG3 GLU 75 - HG LEU 114 poor 8 81 - 10 - 3.6/7944=1, 5069/3.0=1 QD1 LEU 84 - HG2 PRO 68 lone 4 44 - 9 - 2.1/7232=2, ~7487=1 HG3 GLU 75 - HG2 PRO 68 lone 3 50 - 7 - 7227/2.3=2, 7223/3.8=2 QD2 LEU 54 - HG2 PRO 68 lone 3 56 - 5 - 7227/2.3=1 QD2 LEU 111 - HG2 PRO 68 lone 2 67 - 4 - QD1 LEU 91 - HG2 PRO 68 lone 1 52 - 3 - HG LEU 111 - HG2 PRO 68 lone 1 39 - 3 - Peak 5084 from cnoeabs.peaks (7.97, 0.85, 22.18 ppm; 3.79 A): 3 out of 7 assignments used, quality = 0.94: * H LEU 114 + QD2 LEU 114 OK 87 100 - 87 - 4.4=64, 3.0/5085=16...(13) H ARG 92 + QD2 LEU 114 OK 33 97 - 34 - 4.6/7948=8, 5070/3.1=4...(10) H VAL 66 + QD2 LEU 114 OK 29 97 - 30 - 306/4.0=5, 1092/2.1=4...(8) H ALA 89 - QD2 LEU 114 OK 25 92 - 27 - 1357=4, 2.9/7565=3...(8) H THR 17 - QD2 LEU 114 OK 14 78 - 17 - 4.0/7959=4, 5063/3.1=2...(9) HE ARG 85 - QD2 LEU 114 OK 12 97 - 12 - 5070/3.1=2, 5077/2.1=2...(6) H SER 44 - QD2 LEU 114 poor 9 73 - 13 - 3.6/7959=2, 6818/7949=1...(5) Peak 5085 from cnoeabs.peaks (4.29, 0.85, 22.18 ppm; 2.93 A): 3 out of 7 assignments used, quality = 0.78: * HA LEU 114 + QD2 LEU 114 OK 61 100 - 61 - 4.0=39, 3.0/5084=7...(13) HB3 SER 113 + QD2 LEU 114 OK 32 100 - 32 - 5891/4.4=5, 4.0/7957=3...(12) HA LYS 65 + QD2 LEU 114 OK 18 100 - 18 - 3.0/7956=3, 5674/4.4=3...(7) HA GLU 94 - QD2 LEU 114 poor 8 73 - 11 - 3.0/464=1, 5071/3.1=1...(4) HA GLN 103 - QD2 LEU 114 lone 8 83 - 10 - 4719/2.1=1, 5071/3.1=1...(5) HB2 SER 78 - QD2 LEU 114 lone 8 100 - 8 - HA ALA 122 - QD2 LEU 114 lone 1 73 - 2 - Peak 5086 from cnoeabs.peaks (2.08, 0.85, 22.18 ppm; 3.41 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 3.1=100 HB3 PRO 70 - QD2 LEU 114 OK 20 78 - 25 - 1.8/7958=4, 3.0/7945=3...(9) HG LEU 21 - QD2 LEU 114 OK 17 100 - 17 - 2.1/6411=4, 5072/3.1=2...(4) HB3 GLN 16 - QD2 LEU 114 OK 15 100 - 15 - 4.5/6326=3, 5072/3.1=2...(7) HB2 GLN 16 - QD2 LEU 114 OK 15 100 - 15 - 4.5/6326=3, 5072/3.1=2...(7) HB2 LEU 101 - QD2 LEU 114 OK 14 87 - 16 - 3.1/7713=4, 5079/2.1=1 HB2 ARG 57 - QD2 LEU 114 OK 12 97 - 12 - 4.2/7052=2, 3.7/7957=2 HB3 GLU 38 - QD2 LEU 114 lone 7 78 - 9 - HB2 GLU 15 - QD2 LEU 114 lone 6 100 - 6 - HB ILE 63 - QD2 LEU 114 lone 5 87 - 6 - HG3 GLU 69 - QD2 LEU 114 lone 5 98 - 5 - HG2 GLU 64 - QD2 LEU 114 lone 5 97 - 5 - HB2 GLN 105 - QD2 LEU 114 lone 4 100 - 4 - HB3 ARG 81 - QD2 LEU 114 lone 3 57 - 5 - Peak 5087 from cnoeabs.peaks (1.50, 0.85, 22.18 ppm; 3.30 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 3.1=100 HG LEU 91 - QD2 LEU 114 OK 26 97 - 27 - 2.1/5090=3, 5066/3.1=3...(11) HG LEU 93 - QD2 LEU 114 OK 24 99 - 25 - 5.3/7948=5, 5066/3.1=2...(10) HD3 LYS 46 - QD2 LEU 114 OK 21 63 - 33 - 2.9/7959=5, 2.9/7959=5...(11) HG3 ARG 92 - QD2 LEU 114 OK 16 99 - 17 - 4.9/5084=2, 5066/3.1=2...(6) HG2 ARG 92 - QD2 LEU 114 OK 16 97 - 17 - 4.9/5084=2, 5066/3.1=2...(6) HB3 LEU 58 - QD2 LEU 114 OK 15 95 - 16 - 4.6/7955=3, 3.9/7052=2...(5) HG2 ARG 85 - QD2 LEU 114 OK 10 100 - 10 - 5.0/7508=1, 7497/4.4=1 HB2 LEU 24 - QD2 LEU 114 lone 7 99 - 7 - HG2 LYS 109 - QD2 LEU 114 lone 3 83 - 3 - Peak 5088 from cnoeabs.peaks (1.98, 0.85, 22.18 ppm; 3.03 A): 1 out of 14 assignments used, quality = 1.00: * HG LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 2.1=100 HB3 PRO 68 - QD2 LEU 114 OK 36 100 - 36 - 1.8/7958=5, ~7227=3...(16) HG2 PRO 68 - QD2 LEU 114 OK 30 100 - 30 - 2.3/7958=5, 5082=3...(12) HB2 LYS 46 - QD2 LEU 114 OK 29 87 - 33 - 4.0/7949=5, 2.9/7959=4...(12) HB2 LEU 55 - QD2 LEU 114 OK 20 81 - 25 - 3232=2, 3.0/3225=2...(11) HB3 GLN 103 - QD2 LEU 114 OK 13 100 - 13 - 4.6/7949=2, 3.0/5085=1...(5) HB2 GLU 94 - QD2 LEU 114 OK 13 87 - 14 - 2.9/5085=2, 3.0/7958=1 HB3 GLU 94 - QD2 LEU 114 poor 9 68 - 14 - 2.9/5085=2, 3.0/7958=1 HB2 LEU 41 - QD2 LEU 114 lone 8 100 - 8 - HG LEU 45 - QD2 LEU 114 lone 6 99 - 6 - 6841/7946=1 HB ILE 124 - QD2 LEU 114 lone 6 100 - 6 - HG2 PRO 60 - QD2 LEU 114 lone 5 95 - 5 - HB2 MET 11 - QD2 LEU 114 lone 4 99 - 4 - HB2 ARG 71 - QD2 LEU 114 lone 3 99 - 3 - Peak 5089 from cnoeabs.peaks (0.85, 0.85, 22.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 114 + QD2 LEU 114 OK 100 100 - 100 Peak 5090 from cnoeabs.peaks (0.72, 0.85, 22.18 ppm; 2.60 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 2.1=100 QD2 LEU 54 - QD2 LEU 114 OK 21 89 - 24 - 5096=3, 5083/2.1=2...(9) QD1 LEU 84 - QD2 LEU 114 OK 19 73 - 26 - 2.1/7946=7, 5096=3...(10) QD2 LEU 111 - QD2 LEU 114 OK 18 98 - 18 - 5083/2.1=2, 4.0/7945=2...(5) QD1 LEU 91 - QD2 LEU 114 OK 16 83 - 19 - 2.1/5087=2, 5096=2...(7) HG LEU 111 - QD2 LEU 114 OK 10 65 - 16 - 4.3/7945=2, 5083/2.1=1...(4) QG1 VAL 66 - QD2 LEU 114 poor 6 63 - 10 - 7193/4.0=1, 4.0/5084=1 HG3 GLU 75 - QD2 LEU 114 lone 5 81 - 6 - Peak 5091 from cnoeabs.peaks (7.97, 0.72, 26.03 ppm; 4.01 A): 3 out of 28 assignments used, quality = 0.97: * H LEU 114 + QD1 LEU 114 OK 91 100 - 91 - 4.4=76, 5084/2.1=16...(13) H ARG 92 + QD1 LEU 91 OK 37 50 - 75 - 5.0=52, 5792/2.1=13...(10) H ARG 92 + QD1 LEU 114 OK 36 97 - 37 - 5084/2.1=6, 5070/3.1=5...(13) H VAL 66 - QD1 LEU 114 OK 31 97 - 32 - 306/4.0=6, 5084/2.1=5...(10) H ALA 89 - QD1 LEU 114 OK 23 92 - 25 - 5084/2.1=5, 5077/2.1=3...(8) H LEU 114 - QD1 LEU 91 OK 22 54 - 41 - 5792/2.1=6, 1358=5...(15) H LEU 114 - QD2 LEU 54 OK 21 89 - 24 - 4.4/5090=3, 4.0/5069=3...(8) H ALA 89 - QD1 LEU 91 OK 20 45 - 44 - 5792/2.1=7, 1494/4.5=7...(13) H LEU 114 - QD1 LEU 84 OK 18 66 - 27 - 7557/2.1=6, 4.4/5090=3...(11) H THR 17 - QD1 LEU 114 OK 15 78 - 20 - 4.0/6336=6, 5084/2.1=2...(7) HE ARG 85 - QD1 LEU 114 OK 13 97 - 14 - 5070/3.1=2, 5084/2.1=2...(5) H VAL 66 - QD1 LEU 91 OK 13 50 - 27 - 1091/3.1=5, 5792/2.1=5...(8) H VAL 66 - QD2 LEU 54 OK 11 83 - 13 - 1092=2, 3.0/3663=2...(5) H ARG 92 - QD1 LEU 84 poor 8 61 - 13 - 1224/2.1=2, 449=2, 4.6/7481=1 H SER 44 - QD1 LEU 114 lone 7 73 - 10 - 5084/2.1=2, 5077/2.1=1...(4) H ALA 89 - QD1 LEU 84 poor 6 55 - 10 - 7557/2.1=2, 7559/3.1=1 HE ARG 85 - QD1 LEU 91 lone 4 50 - 9 - 8714/2.1=1, 5792/2.1=1 H ARG 92 - QD2 LEU 54 lone 3 83 - 4 - 4.6/6981=1 H THR 17 - QD2 LEU 54 lone 3 63 - 5 - 4.0/6336=3 H ALA 89 - QD2 LEU 54 lone 3 77 - 4 - H VAL 66 - QD1 LEU 84 lone 3 61 - 5 - HE ARG 85 - QD1 LEU 84 lone 3 61 - 5 - 7.2/417=2 H THR 17 - QD1 LEU 84 lone 3 44 - 6 - 4.0/6336=2 H SER 44 - QD1 LEU 84 lone 3 41 - 6 - 963/3.9=3 H SER 44 - QD1 LEU 91 lone 2 33 - 6 - 5792/2.1=1 H SER 44 - QD2 LEU 54 lone 1 59 - 2 - HE ARG 85 - QD2 LEU 54 lone 1 83 - 1 - H THR 17 - QD1 LEU 91 lone 1 36 - 3 - Peak 5092 from cnoeabs.peaks (4.29, 0.72, 26.03 ppm; 4.02 A): 2 out of 28 assignments used, quality = 1.00: * HA LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 4.0=100 HB3 SER 113 + QD1 LEU 114 OK 53 100 - 53 - 5085/2.1=11, 5891/4.4=10...(11) HA LYS 65 - QD1 LEU 114 OK 32 100 - 32 - 5085/2.1=6, 5674/4.4=5...(10) HA LEU 114 - QD2 LEU 54 OK 28 89 - 31 - 5062=5, 3.0/5069=4...(12) HA LEU 114 - QD1 LEU 91 OK 24 54 - 45 - 5062=6, 5059/2.1=5...(19) HA LEU 114 - QD1 LEU 84 OK 18 66 - 27 - ~7557=3, 5062=3...(11) HB2 SER 78 - QD1 LEU 114 OK 15 100 - 15 - 5085/2.1=3, 5064/3.1=2...(5) HA GLU 94 - QD1 LEU 114 OK 15 73 - 20 - 5085/2.1=3, ~464=2...(8) HB3 SER 113 - QD1 LEU 84 OK 15 65 - 23 - 7938/2.1=6, ~7934=6...(6) HA GLN 103 - QD1 LEU 114 OK 14 83 - 17 - 5085/2.1=3, 5071/3.1=2...(6) HA LYS 65 - QD2 LEU 54 lone 9 88 - 10 - 3.6/1092=2, 4.7/3663=2, ~8497=1 HB3 SER 113 - QD1 LEU 91 poor 8 53 - 16 - 7937/2.1=3, 1.8/7933=2...(6) HB3 SER 113 - QD2 LEU 54 lone 7 88 - 8 - 4.7/1358=1, 4.0/7324=1 HA LYS 65 - QD1 LEU 91 poor 7 53 - 12 - 7166=2, 5674/5.0=2...(4) HB2 SER 78 - QD2 LEU 54 lone 5 87 - 6 - 3.9/372=1 HA LYS 65 - QD1 LEU 84 lone 5 65 - 8 - ~8518=2, 3.0/7165=1, 7166=1 HA GLU 94 - QD1 LEU 91 poor 4 33 - 14 - ~464=3, 3.0/463=3...(5) HB2 SER 78 - QD1 LEU 84 lone 3 64 - 4 - HA ALA 122 - QD1 LEU 114 lone 2 73 - 3 - HA GLN 103 - QD2 LEU 54 lone 2 68 - 3 - HA GLU 94 - QD1 LEU 84 lone 2 41 - 4 - 3.0/463=1, ~7615=1 HA GLU 94 - QD2 LEU 54 lone 1 59 - 2 - HB2 SER 78 - QD1 LEU 91 lone 1 53 - 3 - HA ALA 122 - QD1 LEU 91 lone 1 33 - 4 - HA ALA 122 - QD1 LEU 84 lone 1 41 - 2 - HA GLN 103 - QD1 LEU 84 lone 1 47 - 2 - HA ALA 122 - QD2 LEU 54 lone 1 59 - 1 - HA GLN 103 - QD1 LEU 91 lone 1 38 - 2 - Peak 5093 from cnoeabs.peaks (2.08, 0.72, 26.03 ppm; 3.47 A): 1 out of 56 assignments used, quality = 1.00: * HB2 LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 3.1=100 HG LEU 21 - QD2 LEU 54 OK 42 89 - 47 - 2125/2.1=10, ~2132=6...(13) HB2 LEU 114 - QD2 LEU 54 OK 31 89 - 35 - 5069=5, 1.8/5076=4...(16) HB2 LEU 114 - QD1 LEU 84 OK 23 66 - 35 - 5069=4, ~7946=4, ~7232=3...(15) HB3 PRO 70 - QD1 LEU 114 OK 20 78 - 25 - 5086/2.1=3, 5072/3.1=2...(11) HB2 LEU 114 - QD1 LEU 91 OK 18 54 - 34 - 5069=5, 1.8/5076=4...(15) HG LEU 21 - QD1 LEU 114 OK 16 100 - 16 - ~6411=3, 5086/2.1=2...(5) HB2 ARG 57 - QD2 LEU 54 OK 15 83 - 18 - 8503/2.1=5, ~8502=5...(5) HB3 GLN 16 - QD1 LEU 114 OK 15 100 - 15 - 5086/2.1=2, 5072/3.1=2...(8) HB2 GLN 16 - QD1 LEU 114 OK 15 100 - 15 - 5086/2.1=2, 5072/3.1=2...(8) HB3 ARG 81 - QD1 LEU 84 OK 14 31 - 47 - 3.0/7433=7, ~7434=6...(19) HB2 LEU 101 - QD1 LEU 91 OK 14 41 - 35 - ~4403=4, ~8370=3...(17) HG LEU 21 - QD1 LEU 84 OK 12 66 - 19 - 6407/3.1=4, ~6416=2...(8) HB2 LEU 101 - QD1 LEU 114 OK 12 87 - 14 - ~7713=2, 5086/2.1=2...(4) HB3 GLU 38 - QD2 LEU 54 poor 10 63 - 16 - 8503/2.1=3, ~3206=2...(8) HB2 ARG 57 - QD1 LEU 114 lone 9 97 - 9 - 5086/2.1=2, 5072/3.1=1 HB3 GLU 38 - QD1 LEU 114 lone 7 78 - 9 - 5086/2.1=1 HB ILE 63 - QD1 LEU 84 poor 7 51 - 14 - ~4266=2, ~4259=2...(5) HB2 LEU 101 - QD1 LEU 84 poor 7 51 - 13 - ~7708=3, ~7486=3, ~7711=2 HB2 GLU 15 - QD1 LEU 114 lone 6 100 - 6 - HG3 GLU 69 - QD1 LEU 114 lone 6 98 - 6 - 5.0/7241=2 HB3 PRO 70 - QD2 LEU 54 lone 6 63 - 9 - HB ILE 63 - QD1 LEU 114 lone 5 87 - 6 - HG2 GLU 64 - QD1 LEU 114 lone 5 97 - 5 - HB2 GLN 105 - QD1 LEU 114 lone 4 100 - 4 - HB ILE 63 - QD1 LEU 91 lone 4 41 - 9 - ~7138=1 HB2 LEU 101 - QD2 LEU 54 lone 4 71 - 5 - HB3 GLN 16 - QD2 LEU 54 lone 3 88 - 4 - HB2 GLN 16 - QD2 LEU 54 lone 3 88 - 4 - HB3 GLU 38 - QD1 LEU 91 lone 3 36 - 9 - 3.0/6709=1 HB3 ARG 81 - QD1 LEU 114 lone 3 57 - 5 - 1.8/7439=1 HB ILE 63 - QD2 LEU 54 lone 2 71 - 3 - HB2 ARG 57 - QD1 LEU 84 lone 2 61 - 3 - HB3 PRO 70 - QD1 LEU 91 lone 2 36 - 6 - HG3 GLU 69 - QD2 LEU 54 lone 2 84 - 2 - HG LEU 21 - QD1 LEU 91 lone 2 54 - 4 - HB2 ARG 57 - QD1 LEU 91 lone 2 50 - 4 - HB2 GLU 15 - QD1 LEU 84 lone 2 64 - 3 - HB3 ARG 81 - QD2 LEU 54 lone 2 45 - 4 - 1.8/7439=1 HB2 GLN 105 - QD1 LEU 91 lone 2 53 - 3 - HB2 GLN 105 - QD2 LEU 54 lone 1 87 - 2 - HB3 GLU 38 - QD1 LEU 84 lone 1 44 - 3 - HB2 GLU 15 - QD2 LEU 54 lone 1 87 - 2 - HG2 GLU 64 - QD1 LEU 84 lone 1 61 - 2 - HG2 GLU 64 - QD2 LEU 54 lone 1 83 - 1 - HB3 GLN 16 - QD1 LEU 84 lone 1 65 - 2 - HB2 GLN 16 - QD1 LEU 84 lone 1 65 - 2 - HB3 ARG 81 - QD1 LEU 91 lone 1 24 - 4 - 3.0/7433=1 HB2 GLU 15 - QD1 LEU 91 lone 1 53 - 2 - HB3 PRO 70 - QD1 LEU 84 lone 1 44 - 2 - HB3 GLN 16 - QD1 LEU 91 lone 1 54 - 1 - HB2 GLN 16 - QD1 LEU 91 lone 1 54 - 1 - HG2 GLU 64 - QD1 LEU 91 lone 1 50 - 1 - HG3 GLU 69 - QD1 LEU 84 lone 1 62 - 1 - HB2 GLN 105 - QD1 LEU 84 lone 1 64 - 1 - HG3 GLU 69 - QD1 LEU 91 lone 0 50 - 1 - Peak 5094 from cnoeabs.peaks (1.50, 0.72, 26.03 ppm; 3.25 A): 2 out of 40 assignments used, quality = 1.00: * HB3 LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 3.1=100 HG LEU 91 + QD1 LEU 91 OK 49 49 - 100 - 2.1=100 HG LEU 93 - QD1 LEU 91 OK 31 51 - 61 - 4404/2.1=6, 2.1/4510=5...(37) HB2 LEU 24 - QD2 LEU 54 OK 30 87 - 35 - ~6993=12, ~6464=6...(8) HB3 LEU 114 - QD2 LEU 54 OK 26 89 - 29 - 5076=4, 1.8/5069=4...(13) HG LEU 91 - QD1 LEU 114 OK 26 97 - 27 - 5087/2.1=4, 5066/3.1=3...(13) HB3 LEU 58 - QD2 LEU 54 OK 24 80 - 30 - ~7065=9, ~7068=6...(8) HG LEU 93 - QD1 LEU 114 OK 20 99 - 20 - 5087/2.1=3, 5066/3.1=2...(6) HB3 LEU 114 - QD1 LEU 84 OK 20 66 - 30 - 5076=4, ~7946=3...(13) HB3 LEU 114 - QD1 LEU 91 OK 17 54 - 32 - 5076=4, 1.8/5069=3...(16) HD3 LYS 46 - QD1 LEU 114 OK 15 63 - 24 - 5087/2.1=3, ~7959=2...(9) HG3 ARG 92 - QD1 LEU 114 OK 14 99 - 15 - 5087/2.1=2, 5066/3.1=2...(5) HG2 ARG 92 - QD1 LEU 114 OK 14 97 - 15 - 5087/2.1=2, 5066/3.1=2...(5) HB3 LEU 58 - QD1 LEU 114 poor 10 95 - 10 - 5087/2.1=2, ~7056=2, 5066/3.1=1 HG3 ARG 92 - QD1 LEU 91 poor 9 51 - 18 - 1226/5.0=3, 4404/2.1=2...(5) HB3 LEU 58 - QD1 LEU 91 poor 9 47 - 19 - 4404/2.1=2, ~8370=2...(5) HG2 ARG 85 - QD1 LEU 114 lone 9 100 - 9 - 5087/2.1=1, 7497/4.4=1 HG2 ARG 92 - QD1 LEU 91 poor 9 50 - 18 - 1226/5.0=3, 4404/2.1=1...(5) HG LEU 93 - QD1 LEU 84 poor 7 62 - 11 - ~4266=1, ~4259=1...(4) HB2 LEU 24 - QD1 LEU 91 poor 7 52 - 13 - ~8368=2, 4404/2.1=1, ~2210=1 HB2 LEU 24 - QD1 LEU 114 lone 6 99 - 6 - HG LEU 91 - QD1 LEU 84 lone 6 60 - 10 - 2.1/4406=1 HG LEU 93 - QD2 LEU 54 lone 3 85 - 4 - HG2 ARG 85 - QD1 LEU 91 lone 3 54 - 6 - HG3 ARG 92 - QD1 LEU 84 lone 3 62 - 5 - HG2 ARG 92 - QD1 LEU 84 lone 3 61 - 5 - HG2 ARG 85 - QD1 LEU 84 lone 3 65 - 4 - 5.0/417=3 HB3 LEU 58 - QD1 LEU 84 lone 3 57 - 5 - HG2 LYS 109 - QD1 LEU 114 lone 2 83 - 3 - HB2 LEU 24 - QD1 LEU 84 lone 2 64 - 3 - HG LEU 91 - QD2 LEU 54 lone 2 82 - 2 - HG2 LYS 109 - QD1 LEU 91 lone 1 38 - 4 - HD3 LYS 46 - QD1 LEU 84 lone 1 34 - 4 - HG3 ARG 92 - QD2 LEU 54 lone 1 85 - 1 - HG2 ARG 92 - QD2 LEU 54 lone 1 83 - 1 - HD3 LYS 46 - QD1 LEU 91 lone 1 27 - 4 - HG2 LYS 109 - QD2 LEU 54 lone 1 68 - 2 - HD3 LYS 46 - QD2 LEU 54 lone 1 50 - 2 - HG2 LYS 109 - QD1 LEU 84 lone 1 47 - 2 - HG2 ARG 85 - QD2 LEU 54 lone 1 88 - 1 - Peak 5095 from cnoeabs.peaks (1.98, 0.72, 26.03 ppm; 3.28 A): 1 out of 56 assignments used, quality = 1.00: * HG LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 2.1=100 HB3 PRO 68 - QD1 LEU 114 OK 41 100 - 41 - 5088/2.1=5, ~7958=4...(19) HG2 PRO 68 - QD1 LEU 114 OK 36 100 - 36 - 5083=4, 5088/2.1=4...(16) HG LEU 114 - QD2 LEU 54 OK 29 89 - 32 - 2.1/5090=4, 5083=4...(16) HB2 LYS 46 - QD1 LEU 114 OK 26 87 - 30 - 5088/2.1=4, ~7959=2...(11) HG LEU 114 - QD1 LEU 84 OK 24 66 - 36 - 7232/2.1=5, ~7946=5...(14) HG2 PRO 60 - QD2 LEU 54 OK 23 80 - 28 - ~6997=3, ~3207=3, 7234=3...(15) HB2 LEU 55 - QD1 LEU 114 OK 20 81 - 25 - 3.0/7007=3, 5088/2.1=3...(9) HB2 LEU 55 - QD2 LEU 54 OK 15 65 - 24 - ~7008=7, 3.0/7007=5...(4) HG LEU 114 - QD1 LEU 91 OK 15 54 - 28 - 5083=3, 2.1/5090=3...(11) HB3 GLN 103 - QD1 LEU 114 OK 14 100 - 14 - 5088/2.1=2, 4733/4.0=2...(4) HB2 GLU 94 - QD1 LEU 114 OK 13 87 - 15 - 5088/2.1=2, 5074/3.1=1 HB3 GLU 94 - QD1 LEU 114 poor 10 68 - 14 - 5088/2.1=1 HB2 LEU 41 - QD1 LEU 114 lone 8 100 - 8 - HG2 PRO 68 - QD1 LEU 84 poor 7 66 - 10 - 7232/2.1=4, ~7487=1 HG LEU 45 - QD1 LEU 114 lone 6 99 - 7 - 6841/6928=1 HB ILE 124 - QD1 LEU 114 lone 6 100 - 6 - HB3 PRO 68 - QD2 LEU 54 lone 6 88 - 7 - 2.3/7223=2, 1.8/7227=1 HG2 PRO 60 - QD1 LEU 114 lone 6 95 - 6 - HB3 PRO 68 - QD1 LEU 84 lone 6 65 - 9 - ~7232=2, 3742/2.1=1 HG2 PRO 68 - QD2 LEU 54 lone 5 89 - 6 - 2.3/7227=1, 3.8/7223=1 HG LEU 45 - QD2 LEU 54 lone 5 85 - 6 - 6841/6928=2, ~6511=2, ~6984=1 HB2 ARG 71 - QD1 LEU 91 lone 5 52 - 10 - ~4402=1 HB2 LEU 41 - QD2 LEU 54 lone 4 88 - 4 - HB2 MET 11 - QD1 LEU 114 lone 3 99 - 3 - HB2 ARG 71 - QD1 LEU 114 lone 3 99 - 3 - HB2 LEU 55 - QD1 LEU 91 lone 3 37 - 8 - HG LEU 45 - QD1 LEU 84 lone 3 62 - 5 - 6841/2.1=2 HG LEU 45 - QD1 LEU 91 lone 3 51 - 5 - HB2 LYS 46 - QD1 LEU 84 lone 3 51 - 5 - HB ILE 124 - QD1 LEU 84 lone 2 65 - 4 - HB2 LYS 46 - QD2 LEU 54 lone 2 71 - 3 - HB2 LYS 46 - QD1 LEU 91 lone 2 41 - 5 - HB2 LEU 55 - QD1 LEU 84 lone 2 46 - 4 - HB2 LEU 41 - QD1 LEU 84 lone 2 65 - 3 - HB2 GLU 94 - QD1 LEU 91 lone 2 41 - 4 - 4.0/463=1 HB ILE 124 - QD1 LEU 91 lone 2 54 - 3 - HB ILE 124 - QD2 LEU 54 lone 1 88 - 2 - HB2 MET 11 - QD1 LEU 84 lone 1 64 - 2 - HG2 PRO 68 - QD1 LEU 91 lone 1 54 - 2 - HB2 ARG 71 - QD2 LEU 54 lone 1 87 - 1 - HB2 LEU 41 - QD1 LEU 91 lone 1 54 - 2 - HB3 GLN 103 - QD2 LEU 54 lone 1 88 - 1 - HB3 GLU 94 - QD1 LEU 91 lone 1 30 - 4 - 4.0/463=1 HB3 PRO 68 - QD1 LEU 91 lone 1 54 - 2 - HB2 GLU 94 - QD1 LEU 84 lone 1 51 - 2 - HB2 GLU 94 - QD2 LEU 54 lone 1 71 - 1 - HB2 MET 11 - QD2 LEU 54 lone 1 87 - 1 - HG2 PRO 60 - QD1 LEU 84 lone 1 57 - 1 - HB3 GLU 94 - QD1 LEU 84 lone 1 37 - 2 - HB3 GLN 103 - QD1 LEU 84 lone 1 65 - 1 - HB3 GLN 103 - QD1 LEU 91 lone 1 54 - 1 - HB2 ARG 71 - QD1 LEU 84 lone 0 64 - 1 - HB3 GLU 94 - QD2 LEU 54 lone 0 54 - 1 - HG2 PRO 60 - QD1 LEU 91 lone 0 47 - 1 - HB2 MET 11 - QD1 LEU 91 lone 0 52 - 1 - Peak 5096 from cnoeabs.peaks (0.85, 0.72, 26.03 ppm; 2.71 A): 1 out of 32 assignments used, quality = 1.00: * QD2 LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 2.1=100 QD2 LEU 114 - QD2 LEU 54 OK 24 89 - 27 - 5090=5, 2.1/5083=2...(11) QD2 LEU 114 - QD1 LEU 84 OK 20 66 - 30 - 7946/2.1=7, 5090=5...(11) QG1 VAL 115 - QD1 LEU 114 OK 17 78 - 21 - 4.0/586=3, 5082/2.1=2...(10) QD2 LEU 55 - QD1 LEU 114 OK 16 100 - 16 - 5082/2.1=2, 5075/3.1=2...(6) HG13 ILE 80 - QD1 LEU 114 OK 14 89 - 16 - 5068/3.1=2, 5075/3.1=2...(6) QD1 LEU 93 - QD1 LEU 91 OK 14 34 - 40 - 4510=4, 4509/2.1=3...(28) QD2 LEU 114 - QD1 LEU 91 OK 12 54 - 22 - 5090=4, 5087/2.1=2...(7) QD1 LEU 93 - QD1 LEU 114 OK 11 76 - 15 - 4.7/6981=1, 5075/3.1=1...(7) HG13 ILE 80 - QD1 LEU 84 OK 11 52 - 21 - 3.2/7402=3, ~8356=3...(6) HG13 ILE 80 - QD2 LEU 54 OK 11 73 - 15 - 2.1/7420=2, ~3209=2...(7) QD1 LEU 59 - QD1 LEU 114 poor 10 97 - 10 - 5075/3.1=1, 5082/2.1=1 QD2 LEU 55 - QD2 LEU 54 lone 9 88 - 10 - 4.0/7007=3, 4.6/249=3 HG13 ILE 22 - QD1 LEU 114 lone 6 93 - 6 - HG13 ILE 22 - QD1 LEU 84 lone 5 56 - 9 - ~6444=2, ~6436=1, 2170/3.1=1 QD1 LEU 93 - QD1 LEU 84 lone 4 42 - 9 - HG13 ILE 22 - QD1 LEU 91 lone 4 46 - 8 - 2174/2.1=2 QD2 LEU 55 - QD1 LEU 91 lone 3 53 - 6 - QD1 LEU 59 - QD1 LEU 91 lone 3 50 - 5 - QD1 LEU 59 - QD2 LEU 54 lone 3 83 - 3 - QD1 LEU 93 - QD2 LEU 54 lone 2 61 - 4 - QD2 LEU 55 - QD1 LEU 84 lone 2 65 - 4 - HG13 ILE 22 - QD2 LEU 54 lone 2 78 - 3 - QG1 VAL 115 - QD1 LEU 91 lone 2 36 - 5 - HG13 ILE 80 - QD1 LEU 91 lone 2 42 - 4 - ~8368=1 QG1 VAL 115 - QD2 LEU 54 lone 2 63 - 3 - QD2 LEU 126 - QD1 LEU 114 lone 2 83 - 2 - QG1 VAL 115 - QD1 LEU 84 lone 1 44 - 3 - QD1 LEU 59 - QD1 LEU 84 lone 1 61 - 2 - QD2 LEU 126 - QD2 LEU 54 lone 1 68 - 1 - QD2 LEU 126 - QD1 LEU 84 lone 0 47 - 1 - QD2 LEU 126 - QD1 LEU 91 lone 0 38 - 1 - Peak 5097 from cnoeabs.peaks (0.72, 0.72, 26.03 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 114 + QD1 LEU 114 OK 100 100 - 100 QD2 LEU 54 + QD2 LEU 54 OK 73 73 - 100 QD1 LEU 84 - QD1 LEU 84 OK 41 41 - 100 QD1 LEU 91 - QD1 LEU 91 OK 38 38 - 100 Peak 5098 from cnoeabs.peaks (8.37, 3.62, 65.99 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 115 + HA VAL 115 OK 100 100 - 100 - 3.0=100 H ILE 80 + HA VAL 115 OK 60 99 - 61 - 5103/3.0=11, 5113/3.2=11...(18) H SER 74 - HA VAL 115 lone 5 78 - 7 - 5113/3.2=1 Peak 5099 from cnoeabs.peaks (3.62, 3.62, 65.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 115 + HA VAL 115 OK 100 100 - 100 Peak 5100 from cnoeabs.peaks (2.14, 3.62, 65.99 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 115 + HA VAL 115 OK 100 100 - 100 - 3.0=100 HB2 PRO 30 - HA VAL 115 OK 44 100 - 44 - 5110/3.2=7, 5115/3.2=7...(19) HG12 ILE 80 - HA VAL 115 OK 40 68 - 58 - 1361/3.0=7, 2.1/4098=6...(21) HB3 GLU 15 - HA VAL 115 OK 28 100 - 28 - 1361/3.0=4, 5110/3.2=3...(14) HG2 GLU 69 - HA VAL 115 OK 18 96 - 19 - 7250=2, 1361/3.0=2...(9) Peak 5101 from cnoeabs.peaks (0.83, 3.62, 65.99 ppm; 3.08 A): 1 out of 9 assignments used, quality = 0.95: * QG1 VAL 115 + HA VAL 115 OK 95 100 - 95 - 3.2=89, 2.1/5114=14...(11) QD2 LEU 114 - HA VAL 115 OK 33 78 - 42 - 5896/3.0=6, 7945=4...(17) HB2 ASN 118 - HA VAL 115 OK 30 99 - 31 - 4.0/6243=8, 1.8/6247=7...(9) HG13 ILE 22 - HA VAL 115 OK 29 99 - 29 - 5116/3.2=3, 5106/3.0=3...(13) QD2 LEU 55 - HA VAL 115 OK 18 87 - 21 - 2.1/5102=3, 5116/3.2=2...(7) QD1 ILE 22 - HA VAL 115 OK 16 60 - 26 - 3.0/5102=3, 5116/3.2=2...(11) QD1 LEU 93 - HA VAL 115 OK 15 100 - 15 - 590/3.6=2, 1362/3.0=2...(5) QD2 LEU 91 - HA VAL 115 OK 12 93 - 13 - 1362/3.0=1, 590/3.6=1 QD1 LEU 59 - HA VAL 115 lone 6 96 - 7 - Peak 5102 from cnoeabs.peaks (0.92, 3.62, 65.99 ppm; 3.15 A): 1 out of 11 assignments used, quality = 0.98: * QG2 VAL 115 + HA VAL 115 OK 98 100 - 98 - 3.2=96, 5113/3.0=17...(14) QG2 ILE 22 - HA VAL 115 OK 32 100 - 32 - 2159/3.2=4, 5107/3.0=4...(11) QD1 LEU 55 - HA VAL 115 OK 24 97 - 25 - 5107/3.0=3, 5112/3.2=3...(7) QD1 LEU 41 - HA VAL 115 OK 19 99 - 19 - 1363/3.0=2, 2813=2...(9) QD1 LEU 117 - HA VAL 115 OK 14 92 - 15 - 4.6/1778=3, 1363/3.0=2...(5) HB2 GLN 42 - HA VAL 115 OK 13 99 - 13 - 6013=2, 4.6/1598=2...(5) QD2 LEU 27 - HA VAL 115 OK 13 100 - 13 - 5112/3.2=1, 5107/3.0=1 QD1 LEU 27 - HA VAL 115 OK 12 100 - 12 - 5112/3.2=1, 5107/3.0=1 QG2 VAL 49 - HA VAL 115 lone 7 100 - 7 - QD1 ILE 63 - HA VAL 115 lone 6 89 - 7 - QD1 LEU 126 - HA VAL 115 lone 3 90 - 4 - Peak 5103 from cnoeabs.peaks (8.37, 2.14, 31.33 ppm; 3.43 A): 2 out of 3 assignments used, quality = 0.93: * H VAL 115 + HB VAL 115 OK 86 100 - 86 - 4.0=65, 5113/2.1=24...(10) H ILE 80 + HB VAL 115 OK 49 99 - 50 - 5113/2.1=12, 5108/2.1=10...(14) H SER 74 - HB VAL 115 lone 4 78 - 5 - 5113/2.1=1, 5108/2.1=1 Peak 5104 from cnoeabs.peaks (3.62, 2.14, 31.33 ppm; 4.05 A): 3 out of 7 assignments used, quality = 1.00: * HA VAL 115 + HB VAL 115 OK 100 100 - 100 - 3.0=100 HA LEU 111 + HB VAL 115 OK 55 97 - 57 - 4.8/6227=15, 6224/4.0=11...(13) HA ILE 80 + HB VAL 115 OK 52 85 - 61 - 3.0/5103=13, 5109/2.1=7...(18) HD2 PRO 70 - HB VAL 115 OK 38 99 - 39 - 7262/2.1=6, 5109/2.1=5...(17) HA LYS 46 - HB VAL 115 OK 16 83 - 20 - 5114/2.1=3, ~8168=3...(7) HA LEU 41 - HB VAL 115 OK 13 68 - 19 - ~8168=2, 5114/2.1=2...(9) HA2 GLY 39 - HB VAL 115 lone 7 95 - 7 - 6012/2.1=1 Peak 5105 from cnoeabs.peaks (2.14, 2.14, 31.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 115 + HB VAL 115 OK 100 100 - 100 Peak 5106 from cnoeabs.peaks (0.83, 2.14, 31.33 ppm; 3.06 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 115 + HB VAL 115 OK 100 100 - 100 - 2.1=100 HG13 ILE 22 - HB VAL 115 OK 33 99 - 33 - 5116/2.1=5, 3.2/5107=3...(18) QD2 LEU 55 - HB VAL 115 OK 20 87 - 23 - 2.1/5107=3, 5116/2.1=3...(11) HB2 ASN 118 - HB VAL 115 OK 20 99 - 20 - 6245/3.0=5, ~6247=4...(8) QD2 LEU 114 - HB VAL 115 OK 19 78 - 25 - 5896/4.0=5, 7945/3.0=3...(12) QD1 ILE 22 - HB VAL 115 OK 19 60 - 31 - 3.0/5107=4, 5116/2.1=3...(17) QD1 LEU 93 - HB VAL 115 OK 12 100 - 12 - 5116/2.1=2, 590/4.4=1...(5) QD2 LEU 91 - HB VAL 115 lone 9 93 - 9 - 6244/3.0=1, 5116/2.1=1 QD1 LEU 59 - HB VAL 115 lone 6 96 - 6 - Peak 5107 from cnoeabs.peaks (0.92, 2.14, 31.33 ppm; 3.09 A): 1 out of 11 assignments used, quality = 1.00: * QG2 VAL 115 + HB VAL 115 OK 100 100 - 100 - 2.1=100 QG2 ILE 22 - HB VAL 115 OK 35 100 - 35 - 2159/2.1=6, 3.2/5106=3...(17) QD1 LEU 55 - HB VAL 115 OK 23 97 - 24 - 5112/2.1=3, 2.1/5106=3...(10) QD1 LEU 41 - HB VAL 115 OK 13 99 - 14 - 5102/3.0=2, 5112/2.1=2...(4) QD2 LEU 27 - HB VAL 115 OK 12 100 - 12 - 5112/2.1=2, 5102/3.0=1, ~8619=1 QD1 LEU 27 - HB VAL 115 OK 11 100 - 11 - 5112/2.1=2, 5102/3.0=1, ~8619=1 QD1 LEU 117 - HB VAL 115 OK 10 92 - 11 - 5112/2.1=2, 5102/3.0=1...(4) HB2 GLN 42 - HB VAL 115 lone 9 99 - 9 - 6013/3.0=2, 5112/2.1=1 QD1 ILE 63 - HB VAL 115 lone 5 89 - 5 - QG2 VAL 49 - HB VAL 115 lone 4 100 - 4 - QD1 LEU 126 - HB VAL 115 lone 3 90 - 3 - Peak 5108 from cnoeabs.peaks (8.37, 0.83, 20.91 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.98: * H VAL 115 + QG1 VAL 115 OK 96 100 - 96 - 4.0=86, 5113/2.1=28...(13) H ILE 80 + QG1 VAL 115 OK 55 99 - 55 - 5113/2.1=14, 5103/2.1=14...(11) H SER 74 - QG1 VAL 115 lone 5 78 - 7 - 5113/2.1=1, 5103/2.1=1 Peak 5109 from cnoeabs.peaks (3.62, 0.83, 20.91 ppm; 3.33 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 115 + QG1 VAL 115 OK 100 100 - 100 - 3.2=100 HA LEU 111 - QG1 VAL 115 OK 39 97 - 40 - 6224/4.0=7, 5114/2.1=6...(12) HA ILE 80 - QG1 VAL 115 OK 38 85 - 44 - 3.0/5108=8, 5114/2.1=5...(17) HD2 PRO 70 - QG1 VAL 115 OK 25 99 - 25 - 7262/2.1=4, 5104/2.1=3...(10) HA LYS 46 - QG1 VAL 115 OK 16 83 - 19 - 5114/2.1=3, 3.9/7964=2...(7) HA LEU 41 - QG1 VAL 115 poor 9 68 - 13 - 5114/2.1=2, ~8168=2, 5104/2.1=1 HA2 GLY 39 - QG1 VAL 115 lone 5 95 - 5 - Peak 5110 from cnoeabs.peaks (2.14, 0.83, 20.91 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 115 + QG1 VAL 115 OK 100 100 - 100 - 2.1=100 HB2 PRO 30 - QG1 VAL 115 OK 38 100 - 38 - 5115/2.1=7, ~7972=4...(17) HG12 ILE 80 - QG1 VAL 115 OK 21 68 - 31 - 5115/2.1=4, 5.1/5108=3...(16) HB3 GLU 15 - QG1 VAL 115 OK 17 100 - 17 - 5115/2.1=3, 5100/3.2=2...(8) HG2 GLU 69 - QG1 VAL 115 lone 8 96 - 9 - 5115/2.1=2, 5100/3.2=1 Peak 5111 from cnoeabs.peaks (0.83, 0.83, 20.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 115 + QG1 VAL 115 OK 100 100 - 100 Peak 5112 from cnoeabs.peaks (0.92, 0.83, 20.91 ppm; 2.54 A): 1 out of 11 assignments used, quality = 1.00: * QG2 VAL 115 + QG1 VAL 115 OK 100 100 - 100 - 2.1=100 QG2 ILE 22 - QG1 VAL 115 OK 30 100 - 30 - 2159=7, 5107/2.1=3...(11) QD1 LEU 55 - QG1 VAL 115 OK 19 97 - 19 - 3253=2, 5107/2.1=2...(6) QD1 LEU 117 - QG1 VAL 115 poor 10 92 - 11 - 2.1/8554=1, 4.6/8001=1 QD2 LEU 27 - QG1 VAL 115 lone 10 100 - 10 - 5107/2.1=1, 2.1/8619=1 QD1 LEU 27 - QG1 VAL 115 lone 9 100 - 9 - 5107/2.1=1, 2.1/8619=1 QD1 LEU 41 - QG1 VAL 115 lone 9 99 - 9 - 5107/2.1=1, 5102/3.2=1 HB2 GLN 42 - QG1 VAL 115 lone 6 99 - 6 - 6013/3.2=1 QD1 ILE 63 - QG1 VAL 115 lone 5 89 - 5 - QG2 VAL 49 - QG1 VAL 115 lone 3 100 - 3 - QD1 LEU 126 - QG1 VAL 115 lone 2 90 - 3 - Peak 5113 from cnoeabs.peaks (8.37, 0.92, 22.11 ppm; 3.00 A): 2 out of 3 assignments used, quality = 0.81: * H VAL 115 + QG2 VAL 115 OK 70 100 - 70 - 4.0=41, 5103/2.1=16...(10) H ILE 80 + QG2 VAL 115 OK 36 99 - 36 - 5103/2.1=9, 5108/2.1=7...(10) H SER 74 - QG2 VAL 115 lone 4 78 - 4 - Peak 5114 from cnoeabs.peaks (3.62, 0.92, 22.11 ppm; 2.94 A): 3 out of 7 assignments used, quality = 0.95: * HA VAL 115 + QG2 VAL 115 OK 89 100 - 89 - 3.2=78, 3.0/5113=15...(14) HA LEU 111 + QG2 VAL 115 OK 34 97 - 35 - 3.0/7978=7, 6224/4.0=5...(10) HA ILE 80 + QG2 VAL 115 OK 30 85 - 36 - 3.0/5113=7, 5109/2.1=4...(17) HD2 PRO 70 - QG2 VAL 115 OK 24 99 - 24 - 7262=4, 5109/2.1=3...(11) HA LYS 46 - QG2 VAL 115 OK 15 83 - 18 - 3.0/8168=3, 3.9/7977=2...(7) HA LEU 41 - QG2 VAL 115 OK 10 68 - 15 - 3.0/8168=2, 2783=1 HA2 GLY 39 - QG2 VAL 115 lone 5 95 - 5 - Peak 5115 from cnoeabs.peaks (2.14, 0.92, 22.11 ppm; 2.91 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 115 + QG2 VAL 115 OK 100 100 - 100 - 2.1=100 HB2 PRO 30 - QG2 VAL 115 OK 34 100 - 34 - 3.0/7972=7, 5110/2.1=6...(17) HG12 ILE 80 - QG2 VAL 115 OK 18 68 - 27 - 5110/2.1=3, 5.1/5113=3...(16) HB3 GLU 15 - QG2 VAL 115 OK 15 100 - 15 - 5110/2.1=3, 5100/3.2=2...(6) HG2 GLU 69 - QG2 VAL 115 lone 9 96 - 9 - 5110/2.1=1, 5100/3.2=1 Peak 5116 from cnoeabs.peaks (0.83, 0.92, 22.11 ppm; 2.46 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 115 + QG2 VAL 115 OK 100 100 - 100 - 2.1=100 HG13 ILE 22 - QG2 VAL 115 OK 26 99 - 27 - 2.1/2178=3, 5106/2.1=3...(10) QD2 LEU 55 - QG2 VAL 115 OK 16 87 - 19 - 3259=2, 3.1/8168=2...(4) QD1 ILE 22 - QG2 VAL 115 OK 15 60 - 25 - 2178=3, 2.1/2171=2...(10) HB2 ASN 118 - QG2 VAL 115 OK 14 99 - 15 - 6245/3.2=3, ~6247=2...(7) QD2 LEU 114 - QG2 VAL 115 OK 14 78 - 17 - 5896/4.0=3, 5101/3.2=2...(7) QD1 LEU 93 - QG2 VAL 115 OK 10 100 - 10 - 5106/2.1=1 QD2 LEU 91 - QG2 VAL 115 lone 6 93 - 7 - QD1 LEU 59 - QG2 VAL 115 lone 5 96 - 5 - Peak 5117 from cnoeabs.peaks (0.92, 0.92, 22.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 115 + QG2 VAL 115 OK 100 100 - 100 Peak 5118 from cnoeabs.peaks (8.02, 3.83, 66.80 ppm; 3.71 A): 2 out of 8 assignments used, quality = 1.00: * H THR 116 + HA THR 116 OK 100 100 - 100 - 3.0=100 H THR 19 + HA THR 19 OK 94 94 - 100 - 3.0=100 H THR 19 - HA THR 116 OK 40 100 - 40 - 828=7, 5126/3.2=6...(17) H THR 116 - HA THR 19 OK 38 94 - 40 - 1365=6, 2014/3.2=6...(15) H SER 112 - HA THR 116 OK 28 92 - 30 - 5898/4.8=5, 592/3.6=5...(8) H THR 17 - HA THR 19 OK 20 64 - 32 - 51/3.6=5, 2010/3.0=5...(11) H SER 112 - HA THR 19 OK 12 82 - 15 - 2014/3.2=2, 2010/3.0=2...(4) H THR 17 - HA THR 116 OK 12 73 - 16 - 1365=2, 5898/4.8=2...(9) Peak 5119 from cnoeabs.peaks (3.83, 3.83, 66.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 116 + HA THR 116 OK 100 100 - 100 HA THR 19 + HA THR 19 OK 85 85 - 100 Peak 5120 from cnoeabs.peaks (4.37, 3.83, 66.80 ppm; 4.35 A): 2 out of 14 assignments used, quality = 1.00: * HB THR 116 + HA THR 116 OK 100 100 - 100 - 3.0=100 HA LEU 93 + HA THR 116 OK 46 97 - 48 - 5128/3.2=9, 594/3.6=6...(14) HB THR 116 - HA THR 19 OK 43 94 - 46 - 5122/3.0=7, 2.1/5127=6...(18) HA MET 11 - HA THR 116 OK 14 100 - 14 - 5431/3.6=3, 1366/3.0=2...(7) HA GLN 105 - HA THR 116 OK 12 99 - 12 - 594/3.6=2, 5128/3.2=2 HA CYS 76 - HA THR 116 OK 12 93 - 12 - 1366/3.0=2, 3.6/1139=2...(5) HA SER 35 - HA THR 116 lone 8 100 - 7 - 6656/8061=1, 5128/3.2=1 HA LEU 93 - HA THR 19 lone 6 87 - 6 - HA CYS 76 - HA THR 19 lone 5 84 - 6 - 3.6/1139=2, ~8339=1 HA ASP 100 - HA THR 116 lone 4 83 - 5 - 7690/3.6=1 HA MET 11 - HA THR 19 lone 3 92 - 3 - HA GLN 105 - HA THR 19 lone 3 90 - 3 - HA SER 35 - HA THR 19 lone 3 92 - 3 - HA ASP 100 - HA THR 19 lone 1 73 - 2 - Peak 5121 from cnoeabs.peaks (1.27, 3.83, 66.80 ppm; 3.06 A): 2 out of 12 assignments used, quality = 0.98: * QG2 THR 116 + HA THR 116 OK 92 100 - 92 - 3.2=87, 5126/3.0=11...(8) QG2 THR 19 + HA THR 19 OK 79 86 - 91 - 3.2=87, 2014/3.0=10...(7) QG2 ILE 80 - HA THR 116 OK 32 100 - 32 - 3.2/7411=4, 2.1/6109=3...(10) QD1 ILE 80 - HA THR 116 OK 31 100 - 31 - 7411=6, 5125/3.0=3...(9) QG2 THR 19 - HA THR 116 OK 27 96 - 28 - 2015=7, 2014/3.0=4...(8) QG2 THR 116 - HA THR 19 OK 26 94 - 28 - 5127=7, 5126/3.0=4...(8) QD1 ILE 80 - HA THR 19 OK 25 93 - 27 - 7411=5, 2013/3.0=3...(9) QG2 ILE 80 - HA THR 19 OK 25 93 - 26 - 3.2/7411=3, 2.1/6109=3...(8) HG3 LYS 32 - HA THR 116 OK 11 98 - 11 - 5125/3.0=2, 595/3.6=1 HG3 LYS 32 - HA THR 19 lone 6 90 - 7 - HG LEU 54 - HA THR 116 lone 6 95 - 6 - HG LEU 54 - HA THR 19 lone 3 85 - 3 - Peak 5122 from cnoeabs.peaks (8.02, 4.37, 67.81 ppm; 3.58 A): 3 out of 4 assignments used, quality = 0.93: * H THR 116 + HB THR 116 OK 89 100 - 89 - 3.8=80, 5126/2.1=19...(9) H THR 19 + HB THR 116 OK 24 100 - 24 - 5126/2.1=7, 828/3.0=4...(8) H SER 112 + HB THR 116 OK 13 92 - 15 - 5126/2.1=4, 592/4.2=4...(5) H THR 17 - HB THR 116 lone 6 73 - 8 - 1366=2, 5126/2.1=2, 592/4.2=1 Peak 5123 from cnoeabs.peaks (3.83, 4.37, 67.81 ppm; 6.20 A): 3 out of 12 assignments used, quality = 1.00: * HA THR 116 + HB THR 116 OK 100 100 - 100 - 3.0=100 HA LYS 119 + HB THR 116 OK 82 100 - 82 - ~7981=15, ~8457=14...(20) HA THR 19 + HB THR 116 OK 63 95 - 66 - 3.0/5122=9, ~5126=9...(18) HA GLU 15 - HB THR 116 OK 24 83 - 29 - 5959/3.8=9, ~5983=4...(8) HA LEU 77 - HB THR 116 OK 22 99 - 22 - 3.0/363=3, 3.6/1655=3...(10) HB3 SER 29 - HB THR 116 OK 17 89 - 19 - 3.0/6233=7, 593/4.2=2...(7) HB2 SER 29 - HB THR 116 OK 16 87 - 19 - 3.0/6233=7, 593/4.2=2...(7) HB2 SER 35 - HB THR 116 poor 7 65 - 10 - ~5128=1, 4.5/8572=1 HA3 GLY 88 - HB THR 116 lone 6 90 - 7 - HA2 GLY 88 - HB THR 116 lone 5 83 - 6 - HA3 GLY 104 - HB THR 116 lone 5 68 - 7 - 3.6/1296=2 HA3 GLY 39 - HB THR 116 lone 4 76 - 6 - Peak 5124 from cnoeabs.peaks (4.37, 4.37, 67.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 116 + HB THR 116 OK 100 100 - 100 Peak 5125 from cnoeabs.peaks (1.27, 4.37, 67.81 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 116 + HB THR 116 OK 100 100 - 100 - 2.1=100 QG2 ILE 80 - HB THR 116 OK 27 100 - 27 - 7408/3.0=3, 1367/3.8=3...(13) QD1 ILE 80 - HB THR 116 OK 25 100 - 25 - 7411/3.0=4, 1367/3.8=2...(9) QG2 THR 19 - HB THR 116 OK 21 96 - 22 - 2015/3.0=4, 2014/3.8=4...(9) HG3 LYS 32 - HB THR 116 OK 13 98 - 14 - 3.8/6233=3, 595/4.2=1...(5) HG LEU 54 - HB THR 116 lone 7 95 - 7 - ~3209=1 Peak 5126 from cnoeabs.peaks (8.02, 1.27, 22.69 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.94: * H THR 116 + QG2 THR 116 OK 91 100 - 91 - 4.1=81, 5122/2.1=25...(6) H THR 19 + QG2 THR 116 OK 32 100 - 33 - 830=8, 5122/2.1=7...(9) H SER 112 - QG2 THR 116 OK 18 92 - 19 - 592/4.3=4, 5122/2.1=4...(5) H THR 17 - QG2 THR 116 lone 7 73 - 10 - 5122/2.1=2, 1367=1...(5) Peak 5127 from cnoeabs.peaks (3.83, 1.27, 22.69 ppm; 3.02 A): 2 out of 12 assignments used, quality = 0.94: * HA THR 116 + QG2 THR 116 OK 90 100 - 90 - 3.2=84, 3.0/5126=11...(9) HA LYS 119 + QG2 THR 116 OK 42 100 - 43 - 3.0/8457=6, 3.6/5904=6...(21) HA THR 19 - QG2 THR 116 OK 24 95 - 26 - 3.0/5126=4, 5121=3...(8) HA GLU 15 - QG2 THR 116 lone 7 83 - 9 - 5959/4.1=2 HA LEU 77 - QG2 THR 116 lone 7 99 - 7 - HB3 SER 29 - QG2 THR 116 lone 4 89 - 5 - ~6233=1 HB2 SER 29 - QG2 THR 116 lone 4 87 - 5 - ~6233=1 HB2 SER 35 - QG2 THR 116 lone 2 65 - 3 - HA3 GLY 88 - QG2 THR 116 lone 2 90 - 2 - HA2 GLY 88 - QG2 THR 116 lone 1 83 - 2 - HA3 GLY 39 - QG2 THR 116 lone 1 76 - 1 - HA3 GLY 104 - QG2 THR 116 lone 1 68 - 1 - Peak 5128 from cnoeabs.peaks (4.37, 1.27, 22.69 ppm; 2.96 A): 1 out of 7 assignments used, quality = 1.00: * HB THR 116 + QG2 THR 116 OK 100 100 - 100 - 2.1=100 HA LEU 93 - QG2 THR 116 OK 37 97 - 39 - 3.8/8377=8, 3.6/8171=6...(12) HA GLN 105 - QG2 THR 116 lone 9 99 - 9 - 4.1/7991=1, 4.1/7991=1 HA MET 11 - QG2 THR 116 lone 7 100 - 7 - 3.0/7990=1, 3.6/5904=1 HA CYS 76 - QG2 THR 116 lone 5 93 - 5 - HA SER 35 - QG2 THR 116 lone 4 100 - 4 - 6656/7987=1 HA ASP 100 - QG2 THR 116 lone 3 83 - 4 - 3.6/7729=1 Peak 5129 from cnoeabs.peaks (1.27, 1.27, 22.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 116 + QG2 THR 116 OK 100 100 - 100 Peak 5130 from cnoeabs.peaks (8.66, 3.99, 57.98 ppm; 3.70 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 117 + HA LEU 117 OK 100 100 - 100 - 3.0=100 H VAL 120 + HA LEU 117 OK 66 97 - 68 - 1795=15, 4.0/8060=12...(15) H LEU 59 - HA LEU 117 OK 43 99 - 43 - 271/3.6=7, 5137/3.0=5...(15) H ASN 12 - HA LEU 117 lone 8 98 - 8 - 5144/3.0=1, 5137/3.0=1 H ASN 106 - HA LEU 117 lone 5 65 - 7 - 4.6/1310=1 Peak 5131 from cnoeabs.peaks (3.99, 3.99, 57.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 117 + HA LEU 117 OK 100 100 - 100 Peak 5132 from cnoeabs.peaks (1.77, 3.99, 57.98 ppm; 3.55 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 117 + HA LEU 117 OK 100 100 - 100 - 3.0=100 HG LEU 117 + HA LEU 117 OK 94 97 - 97 - 3.6=92, 2.1/5136=15...(18) HB3 GLU 56 - HA LEU 117 OK 20 85 - 24 - 3.0/6258=4, ~8300=2...(8) HB2 PRO 37 - HA LEU 117 OK 17 95 - 18 - 1.8/5133=2, 5146/3.0=2...(6) HG3 PRO 30 - HA LEU 117 OK 15 97 - 15 - 5146/3.0=2, 5152=2...(4) HB VAL 66 - HA LEU 117 OK 11 68 - 17 - ~7181=2, ~8509=2...(9) HB2 LYS 32 - HA LEU 117 poor 10 95 - 10 - 3.0/8005=2, 1370/3.0=1, ~1781=1 HB2 GLU 75 - HA LEU 117 lone 9 100 - 9 - 5146/3.0=1, ~7316=1 HG2 GLN 42 - HA LEU 117 lone 8 93 - 9 - 3.0/5135=1 HD3 LYS 109 - HA LEU 117 lone 7 99 - 7 - HD2 LYS 109 - HA LEU 117 lone 7 97 - 7 - HB3 LYS 46 - HA LEU 117 lone 5 78 - 6 - HB2 LEU 45 - HA LEU 117 lone 3 83 - 4 - HG3 ARG 71 - HA LEU 117 lone 2 89 - 2 - Peak 5133 from cnoeabs.peaks (2.23, 3.99, 57.98 ppm; 4.17 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 117 + HA LEU 117 OK 100 100 - 100 - 3.0=100 HB2 PRO 70 - HA LEU 117 OK 30 97 - 31 - 5140/3.0=4, 7254/3.8=4...(14) HG2 GLU 56 - HA LEU 117 OK 29 95 - 31 - 1.8/6258=6, 1371/3.0=4...(14) HB3 PRO 37 - HA LEU 117 OK 23 87 - 27 - 5140/3.0=3, 1.8/5132=2...(15) HB2 PRO 68 - HA LEU 117 OK 19 100 - 19 - 7226/3.8=4, 5140/3.0=3...(8) HG2 GLU 38 - HA LEU 117 OK 14 99 - 14 - 5140/3.0=2, 1371/3.0=2...(7) HG3 GLU 38 - HA LEU 117 OK 14 99 - 14 - 5140/3.0=2, 1371/3.0=2...(7) HG3 GLU 15 - HA LEU 117 OK 12 87 - 14 - 6322/3.0=3, ~6317=2...(7) HG3 GLU 28 - HA LEU 117 lone 10 100 - 10 - 5168/3.8=1, 5140/3.0=1 HG2 GLU 28 - HA LEU 117 lone 10 100 - 10 - 5168/3.8=1, 5140/3.0=1 HG2 GLU 94 - HA LEU 117 lone 5 99 - 5 - HG3 GLU 64 - HA LEU 117 lone 4 100 - 4 - Peak 5134 from cnoeabs.peaks (1.76, 3.99, 57.98 ppm; 3.55 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 117 + HA LEU 117 OK 97 100 - 97 - 3.6=92, 2.1/5136=15...(19) HB2 LEU 117 + HA LEU 117 OK 97 97 - 100 - 3.0=100 HB2 LEU 91 - HA LEU 117 OK 18 63 - 28 - 3.1/8004=4, 3.1/8003=4...(13) HB VAL 66 - HA LEU 117 OK 16 92 - 18 - ~7181=2, ~8509=2...(10) HG3 PRO 30 - HA LEU 117 OK 15 100 - 15 - 5148/3.0=2, 5152=2...(4) HB2 PRO 37 - HA LEU 117 OK 13 73 - 17 - 1.8/5133=2, 5146/3.0=2...(5) HG2 GLN 42 - HA LEU 117 lone 9 100 - 9 - 3.0/5135=1 HB2 GLU 75 - HA LEU 117 lone 8 95 - 9 - 5146/3.0=1, ~7316=1 HB2 LYS 32 - HA LEU 117 poor 7 73 - 10 - 3.0/8005=2, 1370/3.0=1, ~1781=1 HD2 LYS 109 - HA LEU 117 lone 7 100 - 7 - HD3 LYS 109 - HA LEU 117 lone 7 100 - 7 - HB3 LYS 46 - HA LEU 117 lone 6 97 - 7 - HB2 LEU 45 - HA LEU 117 lone 4 98 - 4 - HB2 ARG 53 - HA LEU 117 lone 3 81 - 4 - HG3 ARG 71 - HA LEU 117 lone 2 99 - 2 - HG2 ARG 71 - HA LEU 117 lone 2 85 - 2 - Peak 5135 from cnoeabs.peaks (0.91, 3.99, 57.98 ppm; 3.19 A): 8 out of 14 assignments used, quality = 0.94: * QD1 LEU 117 + HA LEU 117 OK 79 100 - 79 - 3.8=57, 2.1/5136=12...(14) QD2 LEU 27 + HA LEU 117 OK 22 93 - 23 - 6526/3.8=4, 3.1/8534=2...(9) QD2 LEU 59 + HA LEU 117 OK 20 65 - 31 - 5159=4, 2.1/8003=3...(17) QD1 LEU 27 + HA LEU 117 OK 18 89 - 20 - 5159=3, 3.1/8534=2...(10) QG2 VAL 49 + HA LEU 117 OK 16 97 - 16 - 5159=3, 5170/3.8=2...(6) QG2 VAL 115 + HA LEU 117 OK 16 92 - 17 - 1373/3.0=3, 601/3.6=3...(7) QD1 LEU 55 + HA LEU 117 OK 11 68 - 16 - 5159=2, 2.1/8003=1...(9) QG1 VAL 49 + HA LEU 117 OK 11 65 - 17 - 8493/3.8=3, 2.1/5159=2...(7) QG2 ILE 22 - HA LEU 117 lone 9 92 - 10 - 1373/3.0=1 HB2 GLN 42 - HA LEU 117 lone 9 99 - 9 - 5142/3.0=1 QD1 LEU 126 - HA LEU 117 lone 7 100 - 7 - 5410/3.6=1 QD1 ILE 124 - HA LEU 117 lone 4 78 - 5 - QD2 LEU 41 - HA LEU 117 lone 4 83 - 4 - QD1 LEU 41 - HA LEU 117 lone 3 76 - 4 - Peak 5136 from cnoeabs.peaks (1.13, 3.99, 57.98 ppm; 3.39 A): 2 out of 5 assignments used, quality = 0.96: * QD2 LEU 117 + HA LEU 117 OK 88 100 - 88 - 3.8=68, 2.1/5135=12...(19) QG2 VAL 120 + HA LEU 117 OK 68 96 - 72 - 8060=23, 2.1/6258=14...(18) QG2 THR 62 - HA LEU 117 OK 20 68 - 29 - 3495=5, 2.1/3491=4...(12) QG2 VAL 50 - HA LEU 117 OK 17 100 - 17 - 6922/3.8=3, 5143/3.0=3...(6) HB3 LEU 54 - HA LEU 117 OK 17 81 - 20 - 5143/3.0=4, 5150/3.0=3...(9) Peak 5137 from cnoeabs.peaks (8.66, 1.77, 41.55 ppm; 4.02 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 117 + HB2 LEU 117 OK 100 100 - 100 - 4.0=100 H VAL 120 + HB2 LEU 117 OK 53 97 - 54 - 1795/3.0=14, 1395/3.1=10...(10) H LEU 59 - HB2 LEU 117 OK 44 99 - 45 - 5144/1.8=8, 271/4.2=7...(12) H ASN 12 - HB2 LEU 117 lone 9 98 - 9 - 5144/1.8=2, 5130/3.0=1...(5) H ASN 106 - HB2 LEU 117 lone 4 65 - 6 - Peak 5138 from cnoeabs.peaks (3.99, 1.77, 41.55 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 117 + HB2 LEU 117 OK 100 100 - 100 - 3.0=100 HA THR 62 - HB2 LEU 117 OK 44 99 - 44 - 5145/1.8=8, 5166/3.1=7...(16) HA ARG 81 - HB2 LEU 117 OK 26 100 - 26 - 5145/1.8=5, 5166/3.1=4...(9) HA PHE 107 - HB2 LEU 117 OK 19 85 - 22 - 5145/1.8=4, 5166/3.1=3...(12) Peak 5139 from cnoeabs.peaks (1.77, 1.77, 41.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 117 + HB2 LEU 117 OK 100 100 - 100 Peak 5140 from cnoeabs.peaks (2.23, 1.77, 41.55 ppm; 3.64 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 117 + HB2 LEU 117 OK 100 100 - 100 - 1.8=100 HB2 PRO 70 - HB2 LEU 117 OK 36 97 - 37 - 5168/3.1=3, 7254/3.1=3...(21) HB3 PRO 37 - HB2 LEU 117 OK 28 87 - 32 - 2.3/2686=2, 2679=2...(15) HG2 GLU 56 - HB2 LEU 117 OK 26 95 - 27 - 3282=3, 5133/3.0=3...(13) HB2 PRO 68 - HB2 LEU 117 OK 21 100 - 22 - 7226/3.1=4, 5168/3.1=2...(9) HG3 GLU 15 - HB2 LEU 117 OK 15 87 - 18 - 6322=3, 1.8/6317=2...(8) HG2 GLU 38 - HB2 LEU 117 OK 14 99 - 14 - 6712/3.1=1, 5168/3.1=1...(4) HG3 GLU 38 - HB2 LEU 117 OK 14 99 - 14 - 6712/3.1=1, 5168/3.1=1...(4) HG3 GLU 28 - HB2 LEU 117 OK 10 100 - 10 - 5168/3.1=1 HG2 GLU 28 - HB2 LEU 117 OK 10 100 - 10 - 5168/3.1=1 HG2 GLU 94 - HB2 LEU 117 lone 5 99 - 4 - HG3 GLU 64 - HB2 LEU 117 lone 3 100 - 3 - Peak 5141 from cnoeabs.peaks (1.76, 1.77, 41.55 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: HB2 LEU 117 + HB2 LEU 117 OK 97 97 - 100 Reference assignment not found: HG LEU 117 - HB2 LEU 117 Peak 5142 from cnoeabs.peaks (0.91, 1.77, 41.55 ppm; 3.85 A): 1 out of 14 assignments used, quality = 1.00: * QD1 LEU 117 + HB2 LEU 117 OK 100 100 - 100 - 3.1=100 QD2 LEU 27 - HB2 LEU 117 OK 37 93 - 40 - 6526/3.1=7, 5149/1.8=3...(16) QG2 VAL 49 - HB2 LEU 117 OK 36 97 - 38 - ~8493=5, 5170/3.1=4...(19) QD1 LEU 27 - HB2 LEU 117 OK 32 89 - 36 - ~6526=4, 5170/3.1=3...(16) QD2 LEU 59 - HB2 LEU 117 OK 28 65 - 43 - 2.1/7084=7, 4.6/5137=4...(19) QG1 VAL 49 - HB2 LEU 117 OK 23 65 - 36 - 8493/3.1=6, 3041/3.1=3...(18) HB2 GLN 42 - HB2 LEU 117 OK 22 99 - 22 - 2831=2, 5149/1.8=2...(6) QG2 VAL 115 - HB2 LEU 117 OK 22 92 - 24 - 601/4.2=3, 1373/4.0=3...(10) QD1 LEU 55 - HB2 LEU 117 OK 20 68 - 29 - 2.1/8007=4, ~8297=2...(12) QG2 ILE 22 - HB2 LEU 117 OK 14 92 - 15 - 5135/3.0=1, 5149/1.8=1...(6) QD1 LEU 126 - HB2 LEU 117 OK 12 100 - 12 - 5410/4.2=2, 4.7/5906=1...(5) QD2 LEU 41 - HB2 LEU 117 lone 8 83 - 9 - QD1 LEU 41 - HB2 LEU 117 lone 7 76 - 9 - QD1 ILE 124 - HB2 LEU 117 lone 5 78 - 6 - 8120/8089=1 Peak 5143 from cnoeabs.peaks (1.13, 1.77, 41.55 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 117 + HB2 LEU 117 OK 100 100 - 100 - 3.1=100 QG2 VAL 120 + HB2 LEU 117 OK 67 96 - 70 - 8060/3.0=16, 5295/4.0=9...(19) HB3 LEU 54 - HB2 LEU 117 OK 40 81 - 50 - ~8013=7, 5150/1.8=6...(22) QG2 VAL 50 - HB2 LEU 117 OK 32 100 - 32 - 5150/1.8=4, 6922/3.1=4...(13) QG2 THR 62 - HB2 LEU 117 OK 23 68 - 34 - 3.2/5138=6, 3495/3.0=4...(14) Peak 5144 from cnoeabs.peaks (8.66, 2.23, 41.55 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 117 + HB3 LEU 117 OK 100 100 - 100 - 4.0=100 H VAL 120 + HB3 LEU 117 OK 51 97 - 52 - 1795/3.0=14, 1395/3.1=10...(8) H LEU 59 - HB3 LEU 117 OK 44 99 - 44 - 5137/1.8=8, 271/4.2=7...(12) H ASN 12 - HB3 LEU 117 OK 11 98 - 10 - 5137/1.8=2, 5165/3.1=1...(5) H ASN 106 - HB3 LEU 117 lone 3 65 - 5 - 6257/3.0=1 Peak 5145 from cnoeabs.peaks (3.99, 2.23, 41.55 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 117 + HB3 LEU 117 OK 100 100 - 100 - 3.0=100 HA THR 62 + HB3 LEU 117 OK 49 99 - 50 - 5138/1.8=10, 5166/3.1=8...(17) HA ARG 81 - HB3 LEU 117 OK 30 100 - 30 - 5138/1.8=6, 5166/3.1=4...(9) HA PHE 107 - HB3 LEU 117 OK 22 85 - 26 - 5138/1.8=4, 3.7/4800=3...(11) Peak 5146 from cnoeabs.peaks (1.77, 2.23, 41.55 ppm; 3.42 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 117 + HB3 LEU 117 OK 100 100 - 100 - 1.8=100 HG LEU 117 + HB3 LEU 117 OK 97 97 - 100 - 3.0=100 HB2 PRO 37 - HB3 LEU 117 OK 24 95 - 26 - ~5140=2, 2673=2...(12) HG3 PRO 30 - HB3 LEU 117 OK 23 97 - 24 - 5167/3.1=2, ~7086=2...(13) HB3 GLU 56 - HB3 LEU 117 OK 23 85 - 27 - 3277=3, 3.0/3289=2...(14) HB VAL 66 - HB3 LEU 117 OK 17 68 - 24 - 2.1/7181=4, 2.1/8509=3...(11) HB2 GLU 75 - HB3 LEU 117 OK 15 100 - 15 - 1.8/7316=2, ~3962=1...(5) HG2 GLN 42 - HB3 LEU 117 poor 10 93 - 10 - 3.0/5149=1 HB2 LYS 32 - HB3 LEU 117 lone 7 95 - 7 - HD3 LYS 109 - HB3 LEU 117 lone 6 99 - 6 - HD2 LYS 109 - HB3 LEU 117 lone 6 97 - 6 - HB3 LYS 46 - HB3 LEU 117 lone 4 78 - 6 - HB2 LEU 45 - HB3 LEU 117 lone 4 83 - 5 - HG3 ARG 71 - HB3 LEU 117 lone 3 89 - 3 - Peak 5147 from cnoeabs.peaks (2.23, 2.23, 41.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 117 + HB3 LEU 117 OK 100 100 - 100 Peak 5148 from cnoeabs.peaks (1.76, 2.23, 41.55 ppm; 3.42 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 117 + HB3 LEU 117 OK 100 100 - 100 - 3.0=100 HB2 LEU 117 + HB3 LEU 117 OK 97 97 - 100 - 1.8=100 HG3 PRO 30 - HB3 LEU 117 OK 24 100 - 24 - 5169/3.1=2, ~7086=2...(13) HB VAL 66 - HB3 LEU 117 OK 23 92 - 25 - 2.1/7181=4, 2.1/8509=3...(11) HB2 PRO 37 - HB3 LEU 117 OK 18 73 - 25 - ~5140=2, 2.3/2666=2...(12) HB2 LEU 91 - HB3 LEU 117 OK 18 63 - 29 - 3.1/8010=3, ~8365=3...(16) HB2 GLU 75 - HB3 LEU 117 OK 13 95 - 14 - 1.8/7316=2, ~3962=1...(4) HG2 GLN 42 - HB3 LEU 117 OK 10 100 - 10 - 3.0/5149=1 HD2 LYS 109 - HB3 LEU 117 lone 6 100 - 6 - HD3 LYS 109 - HB3 LEU 117 lone 6 100 - 6 - HB3 LYS 46 - HB3 LEU 117 lone 6 97 - 6 - HB2 LEU 45 - HB3 LEU 117 lone 5 98 - 5 - HB2 LYS 32 - HB3 LEU 117 lone 5 73 - 7 - HB2 ARG 53 - HB3 LEU 117 lone 5 81 - 6 - HG3 ARG 71 - HB3 LEU 117 lone 3 99 - 3 - HG2 ARG 71 - HB3 LEU 117 lone 3 85 - 3 - Peak 5149 from cnoeabs.peaks (0.91, 2.23, 41.55 ppm; 4.19 A): 1 out of 14 assignments used, quality = 1.00: * QD1 LEU 117 + HB3 LEU 117 OK 100 100 - 100 - 3.1=100 QG2 VAL 49 - HB3 LEU 117 OK 42 97 - 43 - ~8493=6, 5170/3.1=4...(24) QD2 LEU 27 - HB3 LEU 117 OK 41 93 - 44 - 6526/3.1=9, 5142/1.8=4...(17) QD1 LEU 27 - HB3 LEU 117 OK 36 89 - 41 - ~6526=5, 5142/1.8=4...(17) QD2 LEU 59 - HB3 LEU 117 OK 32 65 - 49 - 2.1/8009=6, ~7084=6...(21) QG1 VAL 49 - HB3 LEU 117 OK 27 65 - 41 - 8493/3.1=7, 3041/3.1=3...(21) QG2 VAL 115 - HB3 LEU 117 OK 26 92 - 28 - 601/4.2=4, 1373/4.0=4...(11) QD1 LEU 55 - HB3 LEU 117 OK 24 68 - 35 - 2.1/8009=4, ~8007=3...(15) HB2 GLN 42 - HB3 LEU 117 OK 20 99 - 20 - 5142/1.8=3, 2831/3.0=2...(5) QG2 ILE 22 - HB3 LEU 117 OK 17 92 - 18 - 5142/1.8=2, 5135/3.0=2...(6) QD1 LEU 126 - HB3 LEU 117 OK 14 100 - 14 - 5410/4.2=2, 4.7/5907=2...(4) QD2 LEU 41 - HB3 LEU 117 poor 8 83 - 10 - QD1 LEU 41 - HB3 LEU 117 lone 8 76 - 10 - QD1 ILE 124 - HB3 LEU 117 lone 4 78 - 6 - Peak 5150 from cnoeabs.peaks (1.13, 2.23, 41.55 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 117 + HB3 LEU 117 OK 100 100 - 100 - 3.1=100 QG2 VAL 120 + HB3 LEU 117 OK 66 96 - 69 - 8060/3.0=17, 5143/1.8=10...(17) HB3 LEU 54 - HB3 LEU 117 OK 41 81 - 51 - ~8013=8, 5143/1.8=6...(21) QG2 VAL 50 - HB3 LEU 117 OK 33 100 - 32 - 5143/1.8=5, 6922/3.1=5...(13) QG2 THR 62 - HB3 LEU 117 OK 24 68 - 36 - 3.2/5145=6, 3495/3.0=4...(16) Peak 5151 from cnoeabs.peaks (8.66, 1.76, 27.10 ppm; 4.47 A): 3 out of 10 assignments used, quality = 0.99: * H LEU 117 + HG LEU 117 OK 94 100 - 94 - 4.8=80, 1371/3.0=18...(13) H VAL 120 + HG LEU 117 OK 55 97 - 56 - 1795/3.6=15, 1395/2.1=13...(11) H LEU 59 + HG LEU 117 OK 48 99 - 49 - 5165/2.1=8, 5137/3.0=7...(13) H LEU 117 - HG3 PRO 30 OK 11 69 - 17 - 3.0/5152=2, 4.0/5148=2...(7) H ASN 12 - HG LEU 117 OK 10 98 - 10 - 5144/3.0=2, 5165/2.1=2...(4) H LEU 59 - HG3 PRO 30 poor 8 68 - 12 - 275/2.3=2, 4.6/7084=2...(4) H VAL 120 - HG3 PRO 30 poor 8 64 - 12 - 612/2.3=4, 4.0/8068=2...(4) H ASN 106 - HG LEU 117 lone 5 65 - 7 - H ASN 12 - HG3 PRO 30 lone 4 65 - 6 - 6283/2.3=3 H ASN 106 - HG3 PRO 30 lone 1 38 - 3 - Peak 5152 from cnoeabs.peaks (3.99, 1.76, 27.10 ppm; 4.42 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 117 + HG LEU 117 OK 100 100 - 100 - 3.6=100 HA THR 62 - HG LEU 117 OK 40 99 - 40 - 5166/2.1=9, 5138/3.0=8...(11) HA ARG 81 - HG LEU 117 OK 23 100 - 23 - 5166/2.1=5, 5138/3.0=5...(5) HA PHE 107 - HG LEU 117 OK 17 85 - 20 - 5138/3.0=3, 5145/3.0=3...(6) HA LEU 117 - HG3 PRO 30 OK 15 69 - 22 - 3.0/5148=3, 3.8/5169=3...(11) HA THR 62 - HG3 PRO 30 lone 3 67 - 5 - HA PHE 107 - HG3 PRO 30 lone 3 52 - 6 - 3.7/4803=2 HA ARG 81 - HG3 PRO 30 lone 3 68 - 4 - Peak 5153 from cnoeabs.peaks (1.77, 1.76, 27.10 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG LEU 117 + HG LEU 117 OK 97 97 - 100 HG3 PRO 30 + HG3 PRO 30 OK 64 64 - 100 Reference assignment not found: HB2 LEU 117 - HG LEU 117 Peak 5154 from cnoeabs.peaks (2.23, 1.76, 27.10 ppm; 3.93 A): 1 out of 24 assignments used, quality = 1.00: * HB3 LEU 117 + HG LEU 117 OK 100 100 - 100 - 3.0=100 HB2 PRO 70 - HG LEU 117 OK 41 97 - 43 - 5168/2.1=5, 7254/2.1=4...(21) HB3 PRO 37 - HG LEU 117 OK 27 87 - 31 - 5140/3.0=3, 5168/2.1=3...(16) HB2 PRO 68 - HG LEU 117 OK 24 100 - 24 - 7226/2.1=5, 5168/2.1=3...(9) HB3 LEU 117 - HG3 PRO 30 OK 22 69 - 32 - 5148=3, ~7086=3...(17) HG2 GLU 56 - HG LEU 117 OK 20 95 - 21 - 5140/3.0=3, 5133/3.6=3...(8) HG2 GLU 38 - HG LEU 117 OK 15 99 - 15 - 6712/2.1=2, 5168/2.1=2...(6) HG3 GLU 38 - HG LEU 117 OK 15 99 - 15 - 6712/2.1=2, 5168/2.1=2...(7) HG3 GLU 15 - HG LEU 117 OK 15 87 - 17 - 6322/3.0=3, 6322=2...(6) HG2 GLU 38 - HG3 PRO 30 OK 14 67 - 22 - 2718/2.3=2, ~2706=2...(13) HG3 GLU 38 - HG3 PRO 30 OK 14 66 - 22 - 2718/2.3=2, ~2706=2...(13) HG3 GLU 15 - HG3 PRO 30 OK 14 54 - 25 - 1931/2.3=4, 6322=4...(12) HG3 GLU 28 - HG LEU 117 OK 12 100 - 12 - 5168/2.1=2, ~5168=1, 5140/3.0=1 HG2 GLU 28 - HG LEU 117 OK 12 100 - 12 - 5168/2.1=2, ~5168=1, 5140/3.0=1 HB2 PRO 70 - HG3 PRO 30 poor 7 63 - 10 - 3.9/1111=2, 1.8/7256=1 HB3 PRO 37 - HG3 PRO 30 lone 4 54 - 8 - 6681/6635=2, 3.9/146=1 HG2 GLU 94 - HG LEU 117 lone 4 99 - 4 - HG3 GLU 64 - HG LEU 117 lone 3 100 - 3 - HG3 GLU 64 - HG3 PRO 30 lone 2 69 - 3 - HG2 GLU 56 - HG3 PRO 30 lone 1 61 - 2 - HG2 GLU 94 - HG3 PRO 30 lone 1 68 - 2 - HG3 GLU 28 - HG3 PRO 30 lone 1 69 - 2 - HG2 GLU 28 - HG3 PRO 30 lone 1 69 - 2 - HB2 PRO 68 - HG3 PRO 30 lone 1 69 - 2 - Peak 5155 from cnoeabs.peaks (1.76, 1.76, 27.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 117 + HG LEU 117 OK 100 100 - 100 HG3 PRO 30 + HG3 PRO 30 OK 69 69 - 100 Peak 5156 from cnoeabs.peaks (0.91, 1.76, 27.10 ppm; 3.51 A): 1 out of 28 assignments used, quality = 1.00: * QD1 LEU 117 + HG LEU 117 OK 100 100 - 100 - 2.1=100 QG2 VAL 49 - HG LEU 117 OK 35 97 - 37 - ~8493=6, 5170/2.1=4...(17) QD2 LEU 27 - HG LEU 117 OK 32 93 - 34 - 6526/2.1=8, 3.1/8011=3...(11) QD1 LEU 27 - HG LEU 117 OK 28 89 - 32 - ~6526=5, 5170/2.1=3...(11) QG2 VAL 115 - HG3 PRO 30 OK 27 58 - 46 - 7972/2.3=11, 5115/2.3=7...(14) QD2 LEU 59 - HG LEU 117 OK 25 65 - 38 - 2.1/7084=5, ~8554=3...(19) HB2 GLN 42 - HG3 PRO 30 OK 23 66 - 35 - 2831=4, 2830/1.8=3...(15) QG1 VAL 49 - HG LEU 117 OK 22 65 - 34 - 8493/2.1=7, 3041/2.1=3...(17) HB2 GLN 42 - HG LEU 117 OK 19 99 - 19 - 2831=3, 5142/3.0=1...(5) QD1 LEU 117 - HG3 PRO 30 OK 19 69 - 27 - 7086/2.3=3, 2.1/5169=3...(15) QG2 ILE 22 - HG3 PRO 30 OK 18 58 - 31 - ~6439=9, ~6596=4...(9) QD1 LEU 55 - HG LEU 117 OK 17 68 - 25 - ~8297=3, 5170/2.1=2...(11) QG2 VAL 115 - HG LEU 117 OK 16 92 - 17 - 1373/4.8=2, 5170/2.1=2...(7) QD1 LEU 126 - HG3 PRO 30 OK 11 69 - 15 - 6595/2.3=1, ~2387=1...(5) QG2 ILE 22 - HG LEU 117 OK 10 92 - 11 - 5170/2.1=1 QD1 LEU 126 - HG LEU 117 lone 9 100 - 9 - QD2 LEU 41 - HG LEU 117 lone 7 83 - 8 - QD2 LEU 27 - HG3 PRO 30 poor 6 60 - 11 - 6598/2.3=1, 6595/2.3=1 QD1 LEU 41 - HG LEU 117 lone 6 76 - 8 - QD1 LEU 27 - HG3 PRO 30 lone 5 55 - 10 - 6598/2.3=1, 6595/2.3=1 QD2 LEU 59 - HG3 PRO 30 poor 4 38 - 11 - ~7083=2, 7086/2.3=2, 2.1/7084=2 QD2 LEU 41 - HG3 PRO 30 lone 4 51 - 9 - ~6008=1 QD1 LEU 41 - HG3 PRO 30 lone 4 45 - 9 - ~6008=1, 6595/2.3=1 QD1 ILE 124 - HG LEU 117 lone 4 78 - 5 - QG2 VAL 49 - HG3 PRO 30 lone 2 63 - 3 - QD1 LEU 55 - HG3 PRO 30 lone 2 40 - 5 - QG1 VAL 49 - HG3 PRO 30 lone 1 38 - 3 - QD1 ILE 124 - HG3 PRO 30 lone 1 47 - 2 - Peak 5157 from cnoeabs.peaks (1.13, 1.76, 27.10 ppm; 3.87 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 117 + HG LEU 117 OK 100 100 - 100 - 2.1=100 QG2 VAL 120 + HG LEU 117 OK 57 96 - 60 - 8060/3.6=14, 8057=9...(12) HB3 LEU 54 - HG LEU 117 OK 44 81 - 55 - ~8013=11, ~8012=6...(21) QG2 VAL 50 - HG LEU 117 OK 35 100 - 35 - 6922/2.1=6, ~3056=4...(13) QD2 LEU 117 - HG3 PRO 30 OK 24 69 - 35 - 8035/2.3=4, ~7086=4...(16) QG2 THR 62 - HG LEU 117 OK 22 68 - 32 - 3.2/5152=5, ~5166=3...(14) QG2 VAL 120 - HG3 PRO 30 poor 10 62 - 16 - 8057=2, 8035/2.3=2...(7) HB3 LEU 54 - HG3 PRO 30 poor 6 49 - 11 - 3192/2.3=1, ~3185=1 QG2 VAL 50 - HG3 PRO 30 lone 3 69 - 5 - QG2 THR 62 - HG3 PRO 30 lone 2 40 - 4 - Peak 5158 from cnoeabs.peaks (8.66, 0.91, 23.92 ppm; 3.84 A): 3 out of 25 assignments used, quality = 0.96: * H LEU 117 + QD1 LEU 117 OK 85 100 - 85 - 4.6=58, 1371/3.1=14...(10) H LEU 59 + QD2 LEU 59 OK 52 64 - 81 - 4.6=60, 3410/2.1=12...(9) H VAL 120 + QD1 LEU 117 OK 45 97 - 47 - 1395/2.1=11, 1795/3.8=10...(11) H LEU 59 - QD1 LEU 117 OK 39 99 - 40 - 5165/2.1=6, 5137/3.1=6...(12) H LEU 117 - QD2 LEU 59 OK 26 65 - 39 - 3417/2.1=7, 3410/2.1=6...(14) H LEU 59 - QD1 LEU 55 OK 18 59 - 31 - 6999/4.0=7, 7081/4.8=7...(6) H VAL 120 - QD2 LEU 59 OK 16 60 - 27 - 3410/2.1=6, 3403/3.2=5...(7) H LEU 117 - QD1 LEU 27 OK 15 62 - 24 - 1373=3, 1373/2.1=3...(12) H LEU 117 - QG2 VAL 49 OK 15 80 - 19 - 1373=3, 4.6/5170=2...(7) H LEU 117 - QD1 LEU 55 OK 14 61 - 23 - 6999/4.0=5, 1373=2...(10) H VAL 120 - QD1 LEU 55 OK 13 56 - 24 - 6999/4.0=5, 611/2.1=4...(5) H LEU 59 - QD1 LEU 27 OK 11 60 - 19 - 1056/3.1=4, 276/3.1=4...(5) H VAL 120 - QD1 LEU 27 poor 9 57 - 16 - 4.6/8075=3, 1394/3.1=3...(6) H ASN 12 - QD1 LEU 117 lone 8 98 - 8 - 5165/2.1=1, 5144/3.1=1...(4) H LEU 59 - QG2 VAL 49 lone 6 78 - 7 - 1058/2.1=2 H ASN 12 - QD2 LEU 59 lone 5 61 - 8 - 3403/3.2=2, 3410/2.1=2...(5) H VAL 120 - QG2 VAL 49 lone 4 74 - 5 - H ASN 106 - QD2 LEU 59 lone 3 35 - 8 - ~3411=2, ~3404=1, ~3418=1 H ASN 106 - QD1 LEU 117 lone 3 65 - 4 - H ASN 12 - QD1 LEU 55 lone 2 57 - 4 - 6999/4.0=1 H ASN 12 - QG2 VAL 49 lone 1 75 - 2 - H ASN 12 - QD1 LEU 27 lone 1 58 - 2 - H ASN 106 - QG2 VAL 49 lone 0 45 - 1 - H ASN 106 - QD1 LEU 27 lone 0 33 - 1 - H ASN 106 - QD1 LEU 55 lone 0 33 - 1 - Peak 5159 from cnoeabs.peaks (3.99, 0.91, 23.92 ppm; 3.15 A): 8 out of 20 assignments used, quality = 0.93: * HA LEU 117 + QD1 LEU 117 OK 77 100 - 77 - 3.8=55, 5136/2.1=12...(14) HA THR 62 + QD1 LEU 117 OK 22 99 - 23 - 5166/2.1=4, 5138/3.1=4...(7) HA LEU 117 + QD2 LEU 59 OK 20 65 - 30 - 5135=4, 8003/2.1=3...(17) HA THR 62 + QD2 LEU 59 OK 15 63 - 24 - ~7079=4, ~7078=4...(9) HA LEU 117 + QG2 VAL 49 OK 14 80 - 17 - 5135=3, 3.8/5170=2...(7) HA LEU 117 + QD1 LEU 27 OK 14 62 - 22 - 5135=4, 5135/2.1=3...(11) HA THR 62 + QD1 LEU 55 OK 14 59 - 23 - 7101/2.1=3, ~7104=2...(11) HA ARG 81 + QD1 LEU 117 OK 12 100 - 12 - 5166/2.1=2, 5138/3.1=2...(5) HA LEU 117 - QD1 LEU 55 poor 9 61 - 16 - 5135=2, 8003/2.1=1...(9) HA PHE 107 - QD1 LEU 117 poor 9 85 - 10 - 5138/3.1=2, 5166/2.1=2...(4) HA THR 62 - QD1 LEU 27 lone 5 60 - 8 - ~6537=1 HA PHE 107 - QG2 VAL 49 lone 5 61 - 8 - 5858/4.3=1, ~6902=1 HA ARG 81 - QD1 LEU 27 lone 4 61 - 7 - 6133/4.8=1 HA THR 62 - QG2 VAL 49 lone 3 77 - 3 - HA PHE 107 - QD1 LEU 27 lone 2 46 - 4 - 3.7/4808=1 HA ARG 81 - QG2 VAL 49 lone 2 78 - 3 - HA ARG 81 - QD1 LEU 55 lone 2 60 - 3 - HA ARG 81 - QD2 LEU 59 lone 1 64 - 2 - HA PHE 107 - QD2 LEU 59 lone 1 49 - 2 - HA PHE 107 - QD1 LEU 55 lone 1 45 - 1 - Peak 5160 from cnoeabs.peaks (1.77, 0.91, 23.92 ppm; 2.86 A): 2 out of 70 assignments used, quality = 0.99: HG LEU 117 + QD1 LEU 117 OK 97 97 - 100 - 2.1=100 * HB2 LEU 117 + QD1 LEU 117 OK 83 100 - 83 - 3.1=75, 5167/2.1=9...(10) HB VAL 66 - QG2 VAL 49 OK 21 47 - 44 - ~8494=7, ~7185=7...(14) HG LEU 117 - QG2 VAL 49 OK 18 73 - 25 - ~8493=4, 2.1/5170=3...(11) HB2 LEU 117 - QG2 VAL 49 OK 17 80 - 21 - ~8493=2, 3.1/5170=2...(7) HG3 PRO 30 - QD1 LEU 117 OK 17 97 - 17 - 5167/2.1=2, 2.3/6595=1...(8) HB2 LEU 117 - QD2 LEU 59 OK 16 65 - 25 - 7084/2.1=4, 5137/4.6=2...(12) HG LEU 117 - QD2 LEU 59 OK 15 59 - 26 - 7084/2.1=3, ~8554=2...(14) HG2 GLN 42 - QD1 LEU 27 OK 15 53 - 28 - 1.8/2853=3, ~6801=2...(12) HB VAL 66 - QD1 LEU 117 OK 14 68 - 21 - 2.1/7192=4, 2.1/7178=3...(9) HB2 PRO 37 - QD1 LEU 117 OK 13 95 - 14 - 5167/2.1=1, 5146/3.1=1 HB2 LEU 117 - QD1 LEU 27 OK 13 62 - 21 - ~6526=2, 5142/2.1=2...(8) HG LEU 117 - QD1 LEU 27 OK 13 56 - 23 - ~6526=3, 2.1/5170=3...(10) HB3 GLU 56 - QD1 LEU 117 poor 10 85 - 11 - 5146/3.1=1, 5167/2.1=1 HB2 LEU 117 - QD1 LEU 55 poor 9 61 - 16 - 8007/2.1=2, 3.1/5170=1...(5) HG LEU 117 - QD1 LEU 55 poor 9 55 - 16 - 2.1/5170=2, ~8297=2...(4) HB2 PRO 37 - QG2 VAL 49 poor 9 71 - 12 - ~3039=1, 2.3/3044=1 HB2 LEU 45 - QD1 LEU 27 poor 8 45 - 19 - ~6528=2, ~6527=2...(10) HG2 GLN 42 - QD1 LEU 117 lone 8 93 - 8 - HB2 GLU 75 - QD1 LEU 117 lone 8 100 - 8 - HB3 GLU 56 - QD1 LEU 55 poor 6 45 - 12 - 3273/4.8=4, 3.0/7029=1 HB2 GLU 75 - QG2 VAL 49 lone 4 79 - 5 - HG3 PRO 30 - QD2 LEU 59 lone 4 60 - 7 - ~7083=1, 7084/2.1=1 HB2 LYS 32 - QD1 LEU 117 lone 4 95 - 4 - HD3 LYS 109 - QD1 LEU 117 lone 4 99 - 4 - HD2 LYS 109 - QD1 LEU 117 lone 4 97 - 4 - HB2 LEU 45 - QD1 LEU 117 lone 4 83 - 4 - HB2 PRO 37 - QD1 LEU 55 lone 4 53 - 7 - HG3 PRO 30 - QD1 LEU 27 lone 3 57 - 6 - HB3 LYS 46 - QD1 LEU 117 lone 3 78 - 4 - HB VAL 66 - QD1 LEU 55 lone 3 34 - 9 - 2.1/7192=1, 2.1/7178=1...(4) HB3 LYS 46 - QD2 LEU 59 lone 2 44 - 6 - HB3 LYS 46 - QD1 LEU 55 lone 2 41 - 6 - HG2 GLN 42 - QG2 VAL 49 lone 2 69 - 3 - HD3 LYS 109 - QD1 LEU 55 lone 2 58 - 3 - HB2 PRO 37 - QD1 LEU 27 lone 2 54 - 3 - HB VAL 66 - QD1 LEU 27 lone 2 35 - 5 - HG3 ARG 71 - QD1 LEU 55 lone 2 48 - 3 - HG3 PRO 30 - QD1 LEU 55 lone 2 56 - 3 - HD2 LYS 109 - QD1 LEU 55 lone 2 55 - 3 - HB3 GLU 56 - QG2 VAL 49 lone 2 61 - 3 - HB3 LYS 46 - QG2 VAL 49 lone 2 55 - 3 - 4.4/6870=1 HB3 LYS 46 - QD1 LEU 27 lone 2 41 - 4 - HB2 LYS 32 - QD1 LEU 55 lone 2 53 - 3 - HG3 ARG 71 - QD1 LEU 117 lone 1 89 - 2 - HB2 LYS 32 - QD1 LEU 27 lone 1 54 - 3 - HG3 PRO 30 - QG2 VAL 49 lone 1 74 - 2 - HB3 GLU 56 - QD1 LEU 27 lone 1 46 - 3 - HG2 GLN 42 - QD1 LEU 55 lone 1 52 - 3 - HB2 LEU 45 - QG2 VAL 49 lone 1 59 - 2 - HB2 LYS 32 - QD2 LEU 59 lone 1 57 - 2 - HG2 GLN 42 - QD2 LEU 59 lone 1 56 - 2 - HB2 LYS 32 - QG2 VAL 49 lone 1 71 - 1 - HB2 GLU 75 - QD1 LEU 55 lone 1 61 - 2 - HB2 GLU 75 - QD1 LEU 27 lone 1 62 - 1 - HB3 GLU 56 - QD2 LEU 59 lone 1 49 - 2 - HB2 LEU 45 - QD1 LEU 55 lone 1 44 - 2 - HB2 PRO 37 - QD2 LEU 59 lone 1 57 - 1 - HD3 LYS 109 - QG2 VAL 49 lone 1 76 - 1 - HD3 LYS 109 - QD1 LEU 27 lone 1 59 - 1 - HD2 LYS 109 - QG2 VAL 49 lone 1 73 - 1 - HG3 ARG 71 - QG2 VAL 49 lone 1 65 - 1 - HD2 LYS 109 - QD1 LEU 27 lone 1 56 - 1 - HG3 ARG 71 - QD1 LEU 27 lone 1 49 - 1 - HB2 LEU 45 - QD2 LEU 59 lone 0 47 - 1 - HD3 LYS 109 - QD2 LEU 59 lone 0 62 - 1 - HB2 GLU 75 - QD2 LEU 59 lone 0 65 - 1 - HD2 LYS 109 - QD2 LEU 59 lone 0 59 - 1 - HG3 ARG 71 - QD2 LEU 59 lone 0 52 - 1 - HB VAL 66 - QD2 LEU 59 lone 0 37 - 1 - Peak 5161 from cnoeabs.peaks (2.23, 0.91, 23.92 ppm; 3.27 A): 1 out of 60 assignments used, quality = 1.00: * HB3 LEU 117 + QD1 LEU 117 OK 100 100 - 100 - 3.1=100 HB2 PRO 70 - QD1 LEU 117 OK 29 97 - 30 - 5168/2.1=4, 2.3/7264=3...(13) HB2 PRO 68 - QG2 VAL 49 OK 25 80 - 32 - 7226/2.1=6, 7226=4...(10) HB2 PRO 68 - QD1 LEU 55 OK 24 61 - 40 - 3735/2.1=5, ~3742=3...(22) HB3 LEU 117 - QG2 VAL 49 OK 24 80 - 30 - ~8493=3, 3.1/5170=3...(12) HB3 LEU 117 - QD2 LEU 59 OK 21 65 - 32 - ~7084=3, 8009/2.1=3...(16) HB2 PRO 70 - QG2 VAL 49 OK 20 73 - 28 - ~7264=5, 3.0/7263=4...(8) HB2 PRO 68 - QD1 LEU 117 OK 20 100 - 20 - 7226=4, 5168/2.1=3...(8) HB3 LEU 117 - QD1 LEU 27 OK 18 62 - 28 - ~6526=3, 1.8/5142=2...(13) HB3 PRO 37 - QD1 LEU 117 OK 17 87 - 19 - 5168/2.1=2, 5140/3.1=2...(5) HG2 GLU 56 - QD1 LEU 117 OK 15 95 - 16 - 5140/3.1=2, 5168/2.1=2...(6) HB3 LEU 117 - QD1 LEU 55 OK 14 61 - 22 - 8009/2.1=2, ~8007=2...(10) HG2 GLU 38 - QD1 LEU 117 OK 13 99 - 13 - 5168/2.1=1, 6712=1...(5) HG3 GLU 38 - QD1 LEU 117 OK 13 99 - 13 - 5168/2.1=1, 6712=1...(5) HG3 GLU 28 - QD1 LEU 27 OK 12 62 - 19 - 886/4.8=4, 3.0/6564=3...(7) HG2 GLU 28 - QD1 LEU 27 OK 12 61 - 19 - 886/4.8=4, 3.0/6564=3...(7) HG3 GLU 28 - QD1 LEU 117 OK 11 100 - 11 - 5168/2.1=1, 3.0/6564=1 HG2 GLU 28 - QD1 LEU 117 OK 11 100 - 11 - 5168/2.1=1, 3.0/6564=1 HB3 PRO 37 - QG2 VAL 49 poor 9 63 - 15 - ~3039=2, 2.3/3044=1...(4) HG3 GLU 15 - QD1 LEU 117 lone 8 87 - 10 - 6322/3.1=2, 6322/2.1=1...(4) HG3 GLU 28 - QD1 LEU 55 poor 8 61 - 13 - 3.0/6564=2, 4.0/6562=1 HG2 GLU 28 - QD1 LEU 55 poor 8 60 - 13 - 3.0/6564=2, 4.0/6562=1 HG2 GLU 56 - QD1 LEU 55 poor 8 53 - 15 - 3279/4.8=6, 4.0/7029=2...(4) HB2 PRO 70 - QD1 LEU 27 poor 8 56 - 14 - ~6532=3, 3.0/7263=2...(5) HG2 GLU 38 - QD1 LEU 27 poor 6 60 - 11 - 4.0/6708=1, 6712/2.1=1, 6712=1 HG3 GLU 38 - QD1 LEU 27 poor 6 59 - 11 - 4.0/6708=1, 6712/2.1=1, 6712=1 HB2 PRO 70 - QD1 LEU 55 poor 6 55 - 11 - 3.0/7262=2, 3.0/7263=2 HG2 GLU 38 - QD1 LEU 55 lone 4 59 - 6 - HG3 GLU 38 - QD1 LEU 55 lone 4 58 - 6 - HB3 PRO 37 - QD1 LEU 55 lone 4 47 - 8 - HG2 GLU 38 - QG2 VAL 49 lone 4 77 - 5 - HG3 GLU 38 - QG2 VAL 49 lone 4 76 - 5 - HB2 PRO 68 - QD1 LEU 27 lone 3 62 - 5 - HG2 GLU 94 - QD1 LEU 117 lone 3 99 - 3 - HG2 GLU 56 - QG2 VAL 49 lone 3 71 - 4 - HG2 GLU 56 - QD1 LEU 27 lone 3 54 - 5 - HB2 PRO 68 - QD2 LEU 59 lone 3 65 - 4 - HG3 GLU 64 - QD1 LEU 117 lone 2 100 - 2 - HG2 GLU 94 - QD1 LEU 55 lone 2 59 - 4 - HB3 PRO 37 - QD1 LEU 27 lone 2 47 - 5 - 885/4.8=1 HG3 GLU 28 - QG2 VAL 49 lone 2 80 - 3 - HG2 GLU 28 - QG2 VAL 49 lone 2 79 - 3 - HG3 GLU 64 - QD1 LEU 27 lone 2 61 - 3 - HG3 GLU 15 - QG2 VAL 49 lone 1 63 - 2 - HG2 GLU 94 - QG2 VAL 49 lone 1 78 - 1 - HG3 GLU 64 - QD1 LEU 55 lone 1 60 - 2 - HB2 PRO 70 - QD2 LEU 59 lone 1 59 - 2 - HG3 GLU 64 - QG2 VAL 49 lone 1 79 - 1 - HG3 GLU 15 - QD1 LEU 55 lone 1 47 - 2 - HG2 GLU 38 - QD2 LEU 59 lone 1 63 - 1 - HG3 GLU 38 - QD2 LEU 59 lone 1 62 - 1 - HG3 GLU 15 - QD1 LEU 27 lone 1 47 - 2 - HG3 GLU 28 - QD2 LEU 59 lone 1 65 - 1 - HG2 GLU 28 - QD2 LEU 59 lone 1 65 - 1 - HG2 GLU 56 - QD2 LEU 59 lone 1 57 - 1 - HG2 GLU 94 - QD1 LEU 27 lone 1 60 - 1 - HB3 PRO 37 - QD2 LEU 59 lone 1 50 - 1 - HG2 GLU 94 - QD2 LEU 59 lone 0 64 - 1 - HG3 GLU 64 - QD2 LEU 59 lone 0 64 - 1 - HG3 GLU 15 - QD2 LEU 59 lone 0 50 - 1 - Peak 5162 from cnoeabs.peaks (1.76, 0.91, 23.92 ppm; 2.86 A): 2 out of 80 assignments used, quality = 1.00: * HG LEU 117 + QD1 LEU 117 OK 100 100 - 100 - 2.1=100 HB2 LEU 117 + QD1 LEU 117 OK 80 97 - 83 - 3.1=75, 5167/2.1=8...(10) HB VAL 66 - QG2 VAL 49 OK 30 68 - 45 - ~8494=7, ~7185=7...(15) HG LEU 117 - QG2 VAL 49 OK 21 80 - 26 - ~8493=4, 2.1/5170=3...(11) HB VAL 66 - QD1 LEU 117 OK 20 92 - 22 - 2.1/7192=4, 2.1/7178=3...(10) HG2 GLN 42 - QD1 LEU 27 OK 18 61 - 29 - 1.8/2853=3, 2845=2...(12) HG3 PRO 30 - QD1 LEU 117 OK 17 100 - 17 - 5169/2.1=2, 2.3/6595=1...(8) HG LEU 117 - QD2 LEU 59 OK 17 65 - 26 - 7084/2.1=3, ~8554=2...(14) HB2 LEU 117 - QG2 VAL 49 OK 16 73 - 21 - ~8493=2, 3.1/5170=2...(7) HB2 LEU 117 - QD2 LEU 59 OK 14 59 - 24 - 7084/2.1=3, 5137/4.6=2...(12) HG LEU 117 - QD1 LEU 27 OK 14 62 - 23 - ~6526=3, 2.1/5170=3...(10) HB2 LEU 117 - QD1 LEU 27 OK 12 56 - 21 - ~6526=2, 5142/2.1=2...(8) HB2 LEU 91 - QD1 LEU 117 OK 12 63 - 18 - ~8369=2, ~8365=2...(5) HB2 LEU 45 - QD1 LEU 27 OK 11 58 - 20 - 6839/3.1=2, ~6528=2...(10) HB2 PRO 37 - QD1 LEU 117 poor 10 73 - 13 - 5167/2.1=1, 5146/3.1=1 HG LEU 117 - QD1 LEU 55 poor 10 61 - 16 - 2.1/5170=2, ~8297=2...(4) HG2 GLN 42 - QD1 LEU 117 lone 9 100 - 9 - HB2 ARG 53 - QG2 VAL 49 poor 8 57 - 15 - ~8492=3, 8432/2.1=2...(6) HB2 LEU 117 - QD1 LEU 55 poor 8 55 - 15 - 8007/2.1=2, 3.1/5170=1...(5) HB2 GLU 75 - QD1 LEU 117 lone 7 95 - 8 - HB2 PRO 37 - QG2 VAL 49 poor 6 51 - 12 - ~3039=1, 2.3/3044=1 HB VAL 66 - QD1 LEU 55 lone 5 51 - 10 - 2.1/7192=1, 2.1/7178=1...(4) HB2 LEU 45 - QD1 LEU 117 lone 4 98 - 5 - HG3 PRO 30 - QD2 LEU 59 lone 4 65 - 7 - ~7083=1, 7084/2.1=1 HB3 LYS 46 - QD1 LEU 117 lone 4 97 - 4 - HB2 ARG 53 - QD1 LEU 55 lone 4 42 - 9 - 3132/3.1=2 HB2 ARG 53 - QD1 LEU 117 lone 4 81 - 5 - HD2 LYS 109 - QD1 LEU 117 lone 4 100 - 4 - HD3 LYS 109 - QD1 LEU 117 lone 4 100 - 4 - HG3 PRO 30 - QD1 LEU 27 lone 4 62 - 6 - HB2 GLU 75 - QG2 VAL 49 lone 4 71 - 5 - HB3 LYS 46 - QD2 LEU 59 lone 3 59 - 6 - HB3 LYS 46 - QD1 LEU 55 lone 3 55 - 6 - HB2 LYS 32 - QD1 LEU 117 lone 3 73 - 4 - HB VAL 66 - QD1 LEU 27 lone 3 52 - 5 - HG2 GLN 42 - QG2 VAL 49 lone 2 79 - 3 - HB3 LYS 46 - QG2 VAL 49 lone 2 73 - 3 - 4.4/6870=1 HB3 LYS 46 - QD1 LEU 27 lone 2 56 - 4 - HB2 PRO 37 - QD1 LEU 55 lone 2 38 - 6 - HG3 ARG 71 - QD1 LEU 55 lone 2 59 - 4 - HB2 LEU 45 - QG2 VAL 49 lone 2 75 - 3 - HD3 LYS 109 - QD1 LEU 55 lone 2 60 - 3 - HD2 LYS 109 - QD1 LEU 55 lone 2 61 - 3 - HB2 LEU 91 - QD2 LEU 59 lone 2 34 - 6 - HG3 PRO 30 - QD1 LEU 55 lone 2 61 - 3 - HG3 ARG 71 - QD1 LEU 117 lone 2 99 - 2 - HB2 LEU 91 - QD1 LEU 27 lone 2 32 - 5 - HG2 GLN 42 - QD1 LEU 55 lone 2 60 - 3 - HG3 PRO 30 - QG2 VAL 49 lone 2 80 - 2 - HG2 ARG 71 - QD1 LEU 55 lone 2 45 - 3 - HG2 ARG 71 - QD1 LEU 117 lone 1 85 - 2 - HB2 ARG 53 - QD1 LEU 27 lone 1 43 - 3 - HG2 GLN 42 - QD2 LEU 59 lone 1 65 - 2 - HB2 ARG 53 - QD2 LEU 59 lone 1 46 - 3 - HB2 LEU 45 - QD1 LEU 55 lone 1 57 - 2 - HB2 PRO 37 - QD1 LEU 27 lone 1 38 - 3 - HB2 LYS 32 - QD1 LEU 55 lone 1 38 - 3 - HB2 LYS 32 - QD1 LEU 27 lone 1 38 - 2 - HB2 GLU 75 - QD1 LEU 55 lone 1 53 - 2 - HG3 ARG 71 - QG2 VAL 49 lone 1 78 - 1 - HB2 LYS 32 - QD2 LEU 59 lone 1 41 - 2 - HB2 LEU 91 - QD1 LEU 55 lone 1 31 - 2 - HB2 GLU 75 - QD1 LEU 27 lone 1 54 - 1 - HG3 ARG 71 - QD1 LEU 27 lone 1 60 - 1 - HD2 LYS 109 - QG2 VAL 49 lone 1 80 - 1 - HD3 LYS 109 - QG2 VAL 49 lone 1 79 - 1 - HB2 LYS 32 - QG2 VAL 49 lone 1 51 - 1 - HD2 LYS 109 - QD1 LEU 27 lone 1 62 - 1 - HD3 LYS 109 - QD1 LEU 27 lone 1 61 - 1 - HB2 LEU 45 - QD2 LEU 59 lone 1 61 - 1 - HB2 LEU 91 - QG2 VAL 49 lone 1 43 - 1 - HG2 ARG 71 - QG2 VAL 49 lone 1 61 - 1 - HB VAL 66 - QD2 LEU 59 lone 0 55 - 1 - HG2 ARG 71 - QD1 LEU 27 lone 0 46 - 1 - HD2 LYS 109 - QD2 LEU 59 lone 0 65 - 1 - HD3 LYS 109 - QD2 LEU 59 lone 0 65 - 1 - HG3 ARG 71 - QD2 LEU 59 lone 0 64 - 1 - HB2 PRO 37 - QD2 LEU 59 lone 0 41 - 1 - HB2 GLU 75 - QD2 LEU 59 lone 0 57 - 1 - HG2 ARG 71 - QD2 LEU 59 lone 0 49 - 1 - Peak 5163 from cnoeabs.peaks (0.91, 0.91, 23.92 ppm; diagonal): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 117 + QD1 LEU 117 OK 100 100 - 100 QG2 VAL 49 + QG2 VAL 49 OK 73 73 - 100 QD1 LEU 27 + QD1 LEU 27 OK 49 49 - 100 QD2 LEU 59 - QD2 LEU 59 OK 35 35 - 100 QD1 LEU 55 - QD1 LEU 55 OK 34 34 - 100 Peak 5164 from cnoeabs.peaks (1.13, 0.91, 23.92 ppm; 2.53 A): 1 out of 25 assignments used, quality = 1.00: * QD2 LEU 117 + QD1 LEU 117 OK 100 100 - 100 - 2.1=100 QG2 VAL 50 - QG2 VAL 49 OK 31 80 - 38 - 8493/2.1=8, 6922=7...(12) QG2 VAL 120 - QD1 LEU 117 OK 25 96 - 26 - 8060/3.8=5, 5143/3.1=3...(11) QD2 LEU 117 - QG2 VAL 49 OK 20 80 - 25 - 8493/2.1=5, 5170=4...(8) QG2 VAL 50 - QD1 LEU 117 OK 19 100 - 18 - 6922=4, 5157/2.1=2...(9) HB3 LEU 54 - QD1 LEU 117 OK 18 81 - 23 - ~8013=4, ~3187=2...(10) QG2 VAL 50 - QD1 LEU 27 OK 17 62 - 28 - 6526/2.1=5, 6922=4...(11) QD2 LEU 117 - QD2 LEU 59 OK 13 65 - 21 - 8554/2.1=3, 5170=2...(5) QD2 LEU 117 - QD1 LEU 27 OK 12 62 - 20 - 6526/2.1=4, 5170=3...(5) QD2 LEU 117 - QD1 LEU 55 poor 10 61 - 16 - 8554/2.1=2, 7009/4.0=2...(5) QG2 VAL 120 - QD1 LEU 27 poor 9 55 - 16 - 6526/2.1=3, 5298/3.1=2...(6) QG2 THR 62 - QD1 LEU 117 poor 8 68 - 12 - 3.2/5159=1, 3495/3.8=1, ~5166=1 QG2 VAL 50 - QD1 LEU 55 poor 7 61 - 12 - 3064/2.1=2, ~7015=1...(4) QG2 THR 62 - QD2 LEU 59 poor 6 37 - 15 - 7116/3.2=5, 7117/2.1=3...(5) QG2 THR 62 - QD1 LEU 55 poor 5 34 - 16 - 7117/2.1=3, ~7104=2...(8) QG2 VAL 120 - QD1 LEU 55 lone 5 54 - 10 - 7009/4.0=2, 8052/2.1=1 QG2 VAL 120 - QD2 LEU 59 lone 5 58 - 9 - 8052/2.1=1, 8055/2.1=1 HB3 LEU 54 - QG2 VAL 49 lone 5 57 - 9 - 8493/2.1=2 HB3 LEU 54 - QD1 LEU 27 lone 3 43 - 7 - ~6529=2, 6526/2.1=2, ~8240=1 HB3 LEU 54 - QD1 LEU 55 lone 3 42 - 6 - 246/4.6=4 QG2 VAL 120 - QG2 VAL 49 lone 3 72 - 3 - QG2 VAL 50 - QD2 LEU 59 lone 2 65 - 3 - QG2 THR 62 - QG2 VAL 49 lone 1 47 - 3 - QG2 THR 62 - QD1 LEU 27 lone 1 35 - 4 - HB3 LEU 54 - QD2 LEU 59 lone 1 46 - 2 - Peak 5165 from cnoeabs.peaks (8.66, 1.13, 26.08 ppm; 4.33 A): 3 out of 5 assignments used, quality = 0.99: * H LEU 117 + QD2 LEU 117 OK 96 100 - 96 - 4.6=84, 1371/3.1=17...(19) H VAL 120 + QD2 LEU 117 OK 68 97 - 70 - 1795/3.8=13, 1395=12...(21) H LEU 59 + QD2 LEU 117 OK 49 99 - 50 - 5151/2.1=7, 5137/3.1=7...(16) H ASN 12 - QD2 LEU 117 OK 10 98 - 10 - 5144/3.1=2, 5137/3.1=1...(4) H ASN 106 - QD2 LEU 117 lone 4 65 - 6 - Peak 5166 from cnoeabs.peaks (3.99, 1.13, 26.08 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 117 + QD2 LEU 117 OK 100 100 - 100 - 3.8=100 HA THR 62 - QD2 LEU 117 OK 44 99 - 44 - 5138/3.1=7, 5145/3.1=7...(13) HA ARG 81 - QD2 LEU 117 OK 25 100 - 25 - 5138/3.1=4, 5145/3.1=4...(5) HA PHE 107 - QD2 LEU 117 OK 17 85 - 19 - 5138/3.1=3, 5145/3.1=3...(6) Peak 5167 from cnoeabs.peaks (1.77, 1.13, 26.08 ppm; 3.13 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 117 + QD2 LEU 117 OK 99 100 - 99 - 3.1=98, 3.0/5136=9...(12) HG LEU 117 + QD2 LEU 117 OK 97 97 - 100 - 2.1=100 HG3 PRO 30 - QD2 LEU 117 OK 23 97 - 24 - ~7086=2, 2.3/8035=2...(8) HB VAL 66 - QD2 LEU 117 OK 16 68 - 23 - 2.1/8012=6, ~7192=2...(10) HB2 PRO 37 - QD2 LEU 117 OK 15 95 - 16 - 1.8/5168=2, 5146/3.1=2...(4) HB3 GLU 56 - QD2 LEU 117 OK 13 85 - 15 - 5146/3.1=1, 3.0/5168=1...(4) HB2 GLU 75 - QD2 LEU 117 OK 12 100 - 12 - 3.0/8012=2 HG2 GLN 42 - QD2 LEU 117 lone 8 93 - 8 - HB2 LEU 45 - QD2 LEU 117 lone 6 83 - 7 - 4.3/7999=2 HB3 LYS 46 - QD2 LEU 117 lone 6 78 - 7 - 4.0/7999=2 HD3 LYS 109 - QD2 LEU 117 lone 5 99 - 5 - HD2 LYS 109 - QD2 LEU 117 lone 5 97 - 5 - HB2 LYS 32 - QD2 LEU 117 lone 5 95 - 5 - HG3 ARG 71 - QD2 LEU 117 lone 2 89 - 2 - Peak 5168 from cnoeabs.peaks (2.23, 1.13, 26.08 ppm; 3.62 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 117 + QD2 LEU 117 OK 100 100 - 100 - 3.1=100 HB2 PRO 70 - QD2 LEU 117 OK 34 97 - 35 - 7254/2.1=3, 5140/3.1=3...(17) HB2 PRO 68 - QD2 LEU 117 OK 23 100 - 24 - 7226/2.1=5, 5140/3.1=2...(8) HB3 PRO 37 - QD2 LEU 117 OK 20 87 - 23 - 5140/3.1=3, 5154/2.1=2...(7) HG2 GLU 56 - QD2 LEU 117 OK 17 95 - 18 - 5140/3.1=2, 5133/3.8=2...(8) HG2 GLU 38 - QD2 LEU 117 OK 12 99 - 12 - 6712/2.1=2, 5140/3.1=1...(4) HG3 GLU 28 - QD2 LEU 117 OK 12 100 - 12 - 5.1/6543=3 HG2 GLU 28 - QD2 LEU 117 OK 12 100 - 12 - 5.1/6543=3 HG3 GLU 38 - QD2 LEU 117 OK 12 99 - 12 - 6712/2.1=2, 5140/3.1=1...(4) HG3 GLU 15 - QD2 LEU 117 poor 9 87 - 11 - 6322/3.1=2, 6322/2.1=2, ~6317=1 HG2 GLU 94 - QD2 LEU 117 lone 4 99 - 4 - HG3 GLU 64 - QD2 LEU 117 lone 3 100 - 3 - Peak 5169 from cnoeabs.peaks (1.76, 1.13, 26.08 ppm; 3.13 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 117 + QD2 LEU 117 OK 100 100 - 100 - 2.1=100 HB2 LEU 117 + QD2 LEU 117 OK 96 97 - 99 - 3.1=98, 3.0/5136=9...(12) HG3 PRO 30 - QD2 LEU 117 OK 24 100 - 24 - ~7086=2, 5157=2...(8) HB VAL 66 - QD2 LEU 117 OK 22 92 - 24 - 2.1/8012=6, ~7192=2...(10) HB2 LEU 91 - QD2 LEU 117 OK 18 63 - 29 - 3.1/8369=6, 3.1/8372=4...(10) HB2 PRO 37 - QD2 LEU 117 OK 12 73 - 16 - 1.8/5168=2, 5146/3.1=1...(4) HB2 GLU 75 - QD2 LEU 117 OK 11 95 - 11 - 3.0/8012=2 HG2 GLN 42 - QD2 LEU 117 lone 9 100 - 9 - HB2 ARG 53 - QD2 LEU 117 poor 9 81 - 11 - 4.4/1020=2, 4.0/6960=2 HB2 LEU 45 - QD2 LEU 117 lone 7 98 - 8 - 4.3/7999=2 HB3 LYS 46 - QD2 LEU 117 lone 7 97 - 7 - 4.0/7999=2 HD2 LYS 109 - QD2 LEU 117 lone 5 100 - 5 - HD3 LYS 109 - QD2 LEU 117 lone 5 100 - 5 - HB2 LYS 32 - QD2 LEU 117 lone 3 73 - 4 - HG3 ARG 71 - QD2 LEU 117 lone 2 99 - 2 - HG2 ARG 71 - QD2 LEU 117 lone 2 85 - 2 - Peak 5170 from cnoeabs.peaks (0.91, 1.13, 26.08 ppm; 2.86 A): 1 out of 14 assignments used, quality = 1.00: * QD1 LEU 117 + QD2 LEU 117 OK 100 100 - 100 - 2.1=100 QG2 VAL 49 - QD2 LEU 117 OK 30 97 - 31 - 2.1/8493=7, 5164=3...(14) QD2 LEU 27 - QD2 LEU 117 OK 26 93 - 28 - 6526=6, 3.1/8014=2...(9) QD1 LEU 27 - QD2 LEU 117 OK 23 89 - 26 - 2.1/6526=5, 3.1/8014=2...(9) QG1 VAL 49 - QD2 LEU 117 OK 19 65 - 28 - 8493=6, 3041/2.1=2...(9) QD2 LEU 59 - QD2 LEU 117 OK 17 65 - 26 - 2.1/8554=4, 2.1/8014=3...(13) QD1 LEU 55 - QD2 LEU 117 OK 15 68 - 22 - 4.0/7009=3, 2.1/8554=3...(5) QG2 VAL 115 - QD2 LEU 117 OK 12 92 - 13 - 2.1/8554=2, 1373/4.6=1 HB2 GLN 42 - QD2 LEU 117 lone 9 99 - 9 - 2831/2.1=1 QG2 ILE 22 - QD2 LEU 117 lone 8 92 - 9 - QD1 LEU 126 - QD2 LEU 117 lone 6 100 - 6 - QD1 LEU 41 - QD2 LEU 117 lone 4 76 - 5 - QD2 LEU 41 - QD2 LEU 117 lone 4 83 - 4 - QD1 ILE 124 - QD2 LEU 117 lone 3 78 - 4 - Peak 5171 from cnoeabs.peaks (1.13, 1.13, 26.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 117 + QD2 LEU 117 OK 100 100 - 100 Peak 5172 from cnoeabs.peaks (7.74, 3.55, 56.04 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 118 + HA ASN 118 OK 100 100 - 100 - 3.0=100 H LEU 58 - HA ASN 118 OK 30 93 - 33 - 603/3.6=9, 4.6/7072=5...(9) H LEU 91 - HA ASN 118 OK 16 97 - 16 - 5178/3.0=4, 5184/3.0=3...(5) H SER 90 - HA ASN 118 OK 11 93 - 12 - 5178/3.0=3, 603/3.6=2 H LEU 126 - HA ASN 118 lone 6 96 - 6 - 603/3.6=1 HE21 GLN 103 - HA ASN 118 lone 3 65 - 5 - Peak 5173 from cnoeabs.peaks (3.55, 3.55, 56.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 118 + HA ASN 118 OK 100 100 - 100 Peak 5174 from cnoeabs.peaks (0.82, 3.55, 56.04 ppm; 3.58 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASN 118 + HA ASN 118 OK 100 100 - 100 - 3.0=100 QG1 VAL 115 - HA ASN 118 OK 37 99 - 37 - ~6243=6, 7979/3.6=6...(15) QD2 LEU 91 - HA ASN 118 OK 28 99 - 28 - 4400/3.0=6, 605/3.6=3...(11) QD1 LEU 59 - HA ASN 118 OK 24 83 - 29 - 4.6/7072=4, 2.1/8644=4...(9) QD1 LEU 93 - HA ASN 118 OK 17 99 - 18 - 1377/3.0=4, 605/3.6=2...(4) HG13 ILE 22 - HA ASN 118 OK 13 90 - 14 - 605/3.6=2, 1377/3.0=2...(4) QD1 LEU 111 - HA ASN 118 OK 11 71 - 16 - 4.7/6262=5, 3.1/8023=3...(5) QD2 LEU 55 - HA ASN 118 OK 10 68 - 15 - 4.6/1631=3, 7020/3.0=2...(4) QD1 ILE 22 - HA ASN 118 poor 9 81 - 12 - 605/3.6=1, 5186/3.0=1 Peak 5175 from cnoeabs.peaks (2.35, 3.55, 56.04 ppm; 3.85 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASN 118 + HA ASN 118 OK 100 100 - 100 - 3.0=100 HB2 LEU 54 - HA ASN 118 OK 29 78 - 37 - 3.1/6997=5, 1.8/6055=5...(14) HG2 PRO 70 - HA ASN 118 OK 27 100 - 28 - 1378/3.0=4, 5181/3.0=4...(10) HB VAL 18 - HA ASN 118 OK 16 100 - 16 - 1378/3.0=3, 606/3.6=2...(6) HB3 GLU 82 - HA ASN 118 lone 9 95 - 9 - 3.0/6263=1, 1378/3.0=1 HB2 GLU 82 - HA ASN 118 lone 9 95 - 9 - 3.0/6263=1, 1378/3.0=1 HG2 GLU 15 - HA ASN 118 lone 8 92 - 8 - 1378/3.0=2, 606/3.6=2 HB2 GLN 103 - HA ASN 118 lone 7 85 - 9 - 4.6/6262=1, 1378/3.0=1 HG2 MET 11 - HA ASN 118 lone 2 71 - 3 - Peak 5176 from cnoeabs.peaks (5.53, 3.55, 56.04 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 118 + HA ASN 118 OK 100 100 - 100 - 4.4=100 Peak 5177 from cnoeabs.peaks (6.12, 3.55, 56.04 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 118 + HA ASN 118 OK 100 100 - 100 - 4.4=100 Peak 5178 from cnoeabs.peaks (7.74, 0.82, 37.24 ppm; 3.89 A): 1 out of 6 assignments used, quality = 0.95: * H ASN 118 + HB2 ASN 118 OK 95 100 - 95 - 4.0=88, 5184/1.8=25...(9) H LEU 91 - HB2 ASN 118 OK 26 97 - 26 - 1220=5, 5184/1.8=4...(12) H LEU 58 - HB2 ASN 118 OK 23 93 - 24 - 603/4.6=7, 5172/3.0=5...(6) H SER 90 - HB2 ASN 118 OK 18 93 - 19 - 7568=4, 5184/1.8=3...(8) H LEU 126 - HB2 ASN 118 lone 5 96 - 5 - 5184/1.8=1, 603/4.6=1 HE21 GLN 103 - HB2 ASN 118 lone 3 65 - 4 - 5184/1.8=1 Peak 5179 from cnoeabs.peaks (3.55, 0.82, 37.24 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 118 + HB2 ASN 118 OK 100 100 - 100 - 3.0=100 HD2 PRO 60 - HB2 ASN 118 OK 32 100 - 32 - 5185/1.8=6, 1376/4.0=4...(15) HA LEU 51 - HB2 ASN 118 OK 26 97 - 27 - 5185/1.8=6, 708/3.5=3...(10) HB2 ASP 47 - HB2 ASN 118 OK 19 99 - 19 - 6871/1.8=6, 708/3.5=2...(8) Peak 5180 from cnoeabs.peaks (0.82, 0.82, 37.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 118 + HB2 ASN 118 OK 100 100 - 100 Peak 5181 from cnoeabs.peaks (2.35, 0.82, 37.24 ppm; 3.44 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASN 118 + HB2 ASN 118 OK 100 100 - 100 - 1.8=100 HG2 PRO 70 - HB2 ASN 118 OK 22 100 - 22 - 2.3/6245=4, ~6247=4...(10) HB2 LEU 54 - HB2 ASN 118 OK 16 78 - 21 - 5175/3.0=3, ~6055=2...(12) HB VAL 18 - HB2 ASN 118 OK 13 100 - 13 - 5175/3.0=2, 1378/4.0=2...(4) HB3 GLU 82 - HB2 ASN 118 lone 6 95 - 7 - 5175/3.0=1 HB2 GLU 82 - HB2 ASN 118 lone 6 95 - 7 - 5175/3.0=1 HG2 GLU 15 - HB2 ASN 118 lone 5 92 - 6 - 1378/4.0=1 HB2 GLN 103 - HB2 ASN 118 lone 5 85 - 5 - HG2 MET 11 - HB2 ASN 118 lone 2 71 - 2 - Peak 5182 from cnoeabs.peaks (5.53, 0.82, 37.24 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 118 + HB2 ASN 118 OK 100 100 - 100 - 3.5=100 Peak 5183 from cnoeabs.peaks (6.12, 0.82, 37.24 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 118 + HB2 ASN 118 OK 100 100 - 100 - 3.5=100 Peak 5184 from cnoeabs.peaks (7.74, 2.35, 37.24 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.93: * H ASN 118 + HB3 ASN 118 OK 90 100 - 90 - 4.0=81, 5178/1.8=20...(5) H LEU 58 + HB3 ASN 118 OK 19 93 - 20 - 603/4.6=7, 5172/3.0=5...(4) H LEU 91 + HB3 ASN 118 OK 13 97 - 13 - 5178/1.8=5, 5172/3.0=3...(5) H SER 90 - HB3 ASN 118 lone 9 93 - 10 - 5178/1.8=4, 5172/3.0=2...(4) HE21 GLN 103 - HB3 ASN 118 lone 4 65 - 6 - H LEU 126 - HB3 ASN 118 lone 4 96 - 4 - 5178/1.8=1, 603/4.6=1 Peak 5185 from cnoeabs.peaks (3.55, 2.35, 37.24 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 118 + HB3 ASN 118 OK 100 100 - 100 - 3.0=100 HD2 PRO 60 - HB3 ASN 118 OK 31 100 - 31 - 5179/1.8=7, 1376/4.0=5...(12) HA LEU 51 - HB3 ASN 118 OK 29 97 - 30 - 5179/1.8=6, 6052=5...(11) HB2 ASP 47 - HB3 ASN 118 OK 23 99 - 24 - 6871=7, 5179/1.8=4...(9) Peak 5186 from cnoeabs.peaks (0.82, 2.35, 37.24 ppm; 3.32 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASN 118 + HB3 ASN 118 OK 100 100 - 100 - 1.8=100 QG1 VAL 115 - HB3 ASN 118 OK 27 99 - 28 - 3.2/6247=7, ~6245=4...(11) QD2 LEU 91 - HB3 ASN 118 OK 16 99 - 16 - 4400/4.0=4, 5174/3.0=3...(6) QD1 LEU 59 - HB3 ASN 118 OK 11 83 - 13 - 5174/3.0=2, 1377/4.0=2...(5) QD1 LEU 93 - HB3 ASN 118 lone 10 99 - 10 - 1377/4.0=2, 5174/3.0=2 HG13 ILE 22 - HB3 ASN 118 poor 9 90 - 10 - 2174/1.8=1, 5174/3.0=1 QD1 LEU 111 - HB3 ASN 118 poor 8 71 - 11 - 4.0/6247=3, ~8023=1, 5174/3.0=1 QD1 ILE 22 - HB3 ASN 118 lone 8 81 - 9 - QD2 LEU 55 - HB3 ASN 118 lone 5 68 - 8 - 7020/4.0=1 Peak 5187 from cnoeabs.peaks (2.35, 2.35, 37.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 118 + HB3 ASN 118 OK 100 100 - 100 Peak 5188 from cnoeabs.peaks (5.53, 2.35, 37.24 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 118 + HB3 ASN 118 OK 100 100 - 100 - 3.5=100 Peak 5189 from cnoeabs.peaks (6.12, 2.35, 37.24 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 118 + HB3 ASN 118 OK 100 100 - 100 - 3.5=100 Peak 5190 from cnoeabs.peaks (7.60, 3.83, 59.51 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 119 + HA LYS 119 OK 100 100 - 100 - 3.0=100 H ARG 57 - HA LYS 119 OK 32 100 - 32 - 609/3.6=6, 5200/3.0=6...(10) HD21 ASN 12 - HA LYS 119 OK 12 83 - 14 - 5200/3.0=2, 5210/3.0=2...(5) H SER 113 - HA LYS 119 OK 11 87 - 13 - 5200/3.0=2, 609/3.6=2 H GLU 56 - HA LYS 119 OK 11 71 - 15 - 609/3.6=3, 5200/3.0=2 H CYS 52 - HA LYS 119 lone 6 71 - 8 - 4.6/6272=1, 5200/3.0=1 Peak 5191 from cnoeabs.peaks (3.83, 3.83, 59.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 119 + HA LYS 119 OK 100 100 - 100 Peak 5192 from cnoeabs.peaks (1.88, 3.83, 59.51 ppm; 3.35 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LYS 119 + HA LYS 119 OK 100 100 - 100 - 3.0=100 HB2 LEU 58 - HA LYS 119 OK 34 95 - 36 - 1383/3.0=4, 5646/3.6=4...(16) HB3 LYS 31 - HA LYS 119 OK 29 100 - 30 - 2.9/5194=3, 5212/3.0=3...(12) HB3 LYS 109 - HA LYS 119 OK 21 85 - 25 - 1.8/5193=3, 4902/3.0=2...(10) HG LEU 55 - HA LYS 119 OK 17 100 - 18 - 1383/3.0=2, 611/3.6=2...(6) HG LEU 84 - HA LYS 119 OK 16 100 - 16 - 4256/4.0=2, 3.0/5195=2...(4) HB2 LEU 84 - HA LYS 119 OK 14 87 - 16 - 1.8/5195=2, ~5205=1...(7) HB ILE 22 - HA LYS 119 OK 14 73 - 19 - 5982=2, 3.2/6438=2...(9) HB VAL 50 - HA LYS 119 OK 10 100 - 10 - ~8032=2, ~8027=1 HB2 ARG 81 - HA LYS 119 poor 10 76 - 13 - ~1788=2, 4.0/1673=2 HB3 GLU 28 - HA LYS 119 lone 4 92 - 4 - HB2 GLU 28 - HA LYS 119 lone 4 85 - 4 - HB2 ARG 92 - HA LYS 119 lone 4 98 - 4 - HG3 PRO 68 - HA LYS 119 lone 3 92 - 3 - HB3 GLU 73 - HA LYS 119 lone 1 68 - 2 - Peak 5193 from cnoeabs.peaks (1.94, 3.83, 59.51 ppm; 3.45 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 119 + HA LYS 119 OK 100 100 - 100 - 3.0=100 HG LEU 58 - HA LYS 119 OK 35 97 - 37 - 1384/3.0=5, 612/3.6=4...(14) HB3 PRO 30 - HA LYS 119 OK 32 100 - 32 - 5203/3.0=4, 6254=4...(14) HB2 LYS 109 - HA LYS 119 OK 27 99 - 27 - 5203/3.0=3, 1384/3.0=3...(11) HB ILE 80 - HA LYS 119 OK 23 81 - 29 - 6109=4, 3.2/7411=4...(10) HB2 LEU 21 - HA LYS 119 OK 11 89 - 13 - 4.6/1565=1, 612/3.6=1...(6) HB2 GLU 38 - HA LYS 119 lone 4 100 - 4 - HB3 ARG 85 - HA LYS 119 lone 4 100 - 4 - HB2 ARG 85 - HA LYS 119 lone 4 100 - 4 - HB3 GLU 69 - HA LYS 119 lone 3 100 - 3 - HB2 GLU 64 - HA LYS 119 lone 3 99 - 3 - HB3 GLU 64 - HA LYS 119 lone 3 99 - 3 - HB3 MET 11 - HA LYS 119 lone 3 65 - 4 - 4.2/5914=1 HG LEU 45 - HA LYS 119 lone 3 63 - 4 - HB3 GLU 94 - HA LYS 119 lone 2 97 - 2 - Peak 5194 from cnoeabs.peaks (1.46, 3.83, 59.51 ppm; 3.62 A): 3 out of 16 assignments used, quality = 0.95: * HG2 LYS 119 + HA LYS 119 OK 89 100 - 89 - 4.0=71, 1.8/5195=13...(21) HG3 LYS 31 + HA LYS 119 OK 34 100 - 34 - 5221=5, 5204/3.0=4...(11) HD2 LYS 46 + HA LYS 119 OK 30 100 - 30 - 2.9/5195=5, 2.9/5195=5...(11) HG3 ARG 57 - HA LYS 119 OK 28 99 - 28 - 3323/3.0=4, 5.1/5190=3...(13) HB3 LEU 58 - HA LYS 119 OK 25 65 - 39 - 1.8/5192=5, 3.0/5193=4...(17) HG2 LYS 109 - HA LYS 119 OK 19 83 - 23 - 2.9/5193=3, 5204/3.0=2...(10) HB2 LEU 93 - HA LYS 119 OK 13 100 - 13 - 613/3.6=2, 1385/3.0=1 HB3 LEU 101 - HA LYS 119 OK 11 81 - 13 - ~8031=2, ~8034=1, 5204/3.0=1 QB ALA 14 - HA LYS 119 lone 10 100 - 10 - 6308/3.0=2, 6306/4.0=1 HG LEU 91 - HA LYS 119 poor 7 60 - 11 - 3.0/6272=2, ~605=2...(4) HG LEU 24 - HA LYS 119 lone 6 97 - 6 - HB3 LEU 45 - HA LYS 119 lone 5 97 - 5 - QB ALA 89 - HA LYS 119 lone 5 83 - 6 - HB3 GLU 75 - HA LYS 119 lone 3 97 - 3 - HD2 LYS 65 - HA LYS 119 lone 2 89 - 3 - HD3 LYS 65 - HA LYS 119 lone 2 89 - 3 - Peak 5195 from cnoeabs.peaks (1.32, 3.83, 59.51 ppm; 3.71 A): 3 out of 9 assignments used, quality = 0.97: * HG3 LYS 119 + HA LYS 119 OK 92 100 - 92 - 4.0=77, 1.8/5194=12...(21) HG2 LYS 46 + HA LYS 119 OK 43 98 - 44 - 5231=6, 5205/3.0=5...(18) HG3 LYS 46 + HA LYS 119 OK 43 98 - 44 - 5231=6, 5205/3.0=5...(18) HB3 LEU 59 - HA LYS 119 OK 22 68 - 32 - 3.0/6272=6, 3.7/5914=4...(13) HB3 LEU 84 - HA LYS 119 OK 19 97 - 19 - 5205/3.0=3, 1.8/5192=2...(7) QG2 THR 23 - HA LYS 119 lone 7 100 - 7 - 4.0/1571=2 QG2 THR 17 - HA LYS 119 lone 7 98 - 7 - 1386/3.0=1 QB ALA 43 - HA LYS 119 lone 4 93 - 5 - HG CYS 87 - HA LYS 119 lone 4 99 - 4 - Peak 5196 from cnoeabs.peaks (1.60, 3.83, 59.51 ppm; 4.05 A): 2 out of 17 assignments used, quality = 0.98: * HD2 LYS 119 + HA LYS 119 OK 87 100 - 87 - 5.3=44, 3.0/5195=13...(29) HD3 LYS 119 + HA LYS 119 OK 87 100 - 87 - 5.3=44, 3.0/5195=13...(29) HG2 ARG 57 - HA LYS 119 OK 29 90 - 32 - 1.8/5194=4, ~3323=4...(13) HG2 PRO 30 - HA LYS 119 OK 28 89 - 32 - 2.3/5193=5, ~2380=3...(15) HD3 LYS 31 - HA LYS 119 OK 26 71 - 37 - 3.0/5194=4, 3.4/5192=3...(23) HD2 LYS 31 - HA LYS 119 OK 26 71 - 37 - 3.0/5194=4, 3.4/5192=3...(23) HD2 LYS 32 - HA LYS 119 OK 22 93 - 23 - 5207/3.0=2, ~8457=2...(11) HD3 LYS 32 - HA LYS 119 OK 22 93 - 23 - 5207/3.0=2, ~8457=2...(11) HB2 LEU 59 - HA LYS 119 OK 22 63 - 35 - 3.0/6272=7, 3.7/5914=5...(15) HG3 ARG 81 - HA LYS 119 OK 12 90 - 14 - 4.9/1673=2, 2.9/5192=1 HG2 ARG 81 - HA LYS 119 OK 12 90 - 14 - 4.9/1673=2, 2.9/5192=1 HG LEU 101 - HA LYS 119 OK 11 76 - 15 - ~8031=3, ~8034=2...(5) HG12 ILE 63 - HA LYS 119 lone 9 99 - 9 - 7133/3.0=2, ~7129=2...(4) HB2 LEU 126 - HA LYS 119 lone 8 99 - 7 - HB3 LEU 126 - HA LYS 119 lone 8 99 - 7 - HG LEU 126 - HA LYS 119 lone 6 100 - 6 - HG2 ARG 53 - HA LYS 119 lone 3 93 - 3 - Peak 5197 from cnoeabs.peaks (1.60, 3.83, 59.51 ppm; 4.05 A): 2 out of 17 assignments used, quality = 0.98: HD2 LYS 119 + HA LYS 119 OK 87 100 - 87 - 5.3=44, 3.0/5195=13...(29) * HD3 LYS 119 + HA LYS 119 OK 87 100 - 87 - 5.3=44, 3.0/5195=13...(29) HG2 PRO 30 - HA LYS 119 OK 28 90 - 32 - 2.3/5193=5, ~2380=3...(15) HG2 ARG 57 - HA LYS 119 OK 28 89 - 32 - 1.8/5194=4, ~3323=4...(13) HD2 LYS 31 - HA LYS 119 OK 27 73 - 37 - 3.0/5194=4, 3.4/5192=3...(23) HD3 LYS 31 - HA LYS 119 OK 27 73 - 37 - 3.0/5194=4, 3.4/5192=3...(23) HB2 LEU 59 - HA LYS 119 OK 23 65 - 35 - 3.0/6272=7, 3.7/5914=5...(15) HD3 LYS 32 - HA LYS 119 OK 22 95 - 23 - 5207/3.0=2, ~8457=2...(11) HD2 LYS 32 - HA LYS 119 OK 22 95 - 23 - 5207/3.0=2, ~8457=2...(11) HG3 ARG 81 - HA LYS 119 OK 12 89 - 14 - 4.9/1673=2, 2.9/5192=1 HG2 ARG 81 - HA LYS 119 OK 12 89 - 14 - 4.9/1673=2, 2.9/5192=1 HG LEU 101 - HA LYS 119 OK 12 78 - 15 - ~8031=3, ~8034=2...(5) HG12 ILE 63 - HA LYS 119 lone 9 100 - 9 - 7133/3.0=2, ~7129=2...(4) HB2 LEU 126 - HA LYS 119 lone 8 100 - 7 - HB3 LEU 126 - HA LYS 119 lone 8 99 - 7 - HG LEU 126 - HA LYS 119 lone 6 100 - 6 - HG2 ARG 53 - HA LYS 119 lone 3 95 - 3 - Peak 5200 from cnoeabs.peaks (7.60, 1.88, 32.09 ppm; 3.42 A): 5 out of 6 assignments used, quality = 0.92: * H LYS 119 + HB2 LYS 119 OK 82 100 - 82 - 4.0=60, 5210/1.8=16...(17) H ARG 57 + HB2 LYS 119 OK 33 100 - 33 - 5210/1.8=6, 5190/3.0=5...(11) HD21 ASN 12 + HB2 LYS 119 OK 13 83 - 16 - 5210/1.8=3, 5190/3.0=2...(5) H GLU 56 + HB2 LYS 119 OK 13 71 - 18 - 609/4.7=2, 5210/1.8=2...(6) H SER 113 + HB2 LYS 119 OK 10 87 - 12 - 5210/1.8=2, 5190/3.0=2...(4) H CYS 52 - HB2 LYS 119 lone 6 71 - 8 - 5210/1.8=1 Peak 5201 from cnoeabs.peaks (3.83, 1.88, 32.09 ppm; 3.20 A): 1 out of 14 assignments used, quality = 1.00: * HA LYS 119 + HB2 LYS 119 OK 100 100 - 100 - 3.0=100 HA THR 116 - HB2 LYS 119 OK 44 100 - 44 - 6251=7, 3.2/8457=6...(17) HA THR 19 - HB2 LYS 119 OK 18 97 - 19 - 6251=3, 6253/1.8=2...(6) HA LEU 77 - HB2 LYS 119 OK 11 100 - 11 - 6108/1.8=2 HB3 SER 29 - HB2 LYS 119 poor 8 83 - 10 - 6254/1.8=1 HB2 SER 29 - HB2 LYS 119 lone 8 81 - 10 - 6254/1.8=1 HA GLU 15 - HB2 LYS 119 lone 6 89 - 7 - 8187/2.9=1 HA3 GLY 88 - HB2 LYS 119 lone 6 85 - 7 - HA2 GLY 88 - HB2 LYS 119 lone 5 76 - 6 - HA THR 33 - HB2 LYS 119 lone 2 63 - 3 - HA3 GLY 39 - HB2 LYS 119 lone 2 68 - 2 - HB THR 33 - HB2 LYS 119 lone 2 60 - 2 - HA3 GLY 104 - HB2 LYS 119 lone 1 76 - 2 - HB2 SER 35 - HB2 LYS 119 lone 1 73 - 2 - Peak 5202 from cnoeabs.peaks (1.88, 1.88, 32.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 119 + HB2 LYS 119 OK 100 100 - 100 Peak 5203 from cnoeabs.peaks (1.94, 1.88, 32.09 ppm; 2.54 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 119 + HB2 LYS 119 OK 100 100 - 100 - 1.8=100 HB3 PRO 30 - HB2 LYS 119 OK 24 100 - 25 - 5212=4, 5193/3.0=2...(9) HG LEU 58 - HB2 LYS 119 OK 22 97 - 22 - 3370=2, 2.1/8031=2...(7) HB2 LYS 109 - HB2 LYS 119 OK 21 99 - 21 - 4893=4, 5193/3.0=1...(7) HB ILE 80 - HB2 LYS 119 OK 11 81 - 14 - 2.1/8457=2, 3.2/8457=2 HB2 LEU 21 - HB2 LYS 119 lone 6 89 - 7 - HB3 ARG 85 - HB2 LYS 119 lone 3 100 - 3 - HB2 ARG 85 - HB2 LYS 119 lone 3 100 - 3 - HB2 GLU 38 - HB2 LYS 119 lone 3 100 - 3 - HG LEU 45 - HB2 LYS 119 lone 2 63 - 4 - HB3 GLU 69 - HB2 LYS 119 lone 2 100 - 2 - HB2 GLU 64 - HB2 LYS 119 lone 2 99 - 2 - HB3 GLU 64 - HB2 LYS 119 lone 2 99 - 2 - HB3 MET 11 - HB2 LYS 119 lone 2 65 - 2 - HB3 GLU 94 - HB2 LYS 119 lone 1 97 - 1 - Peak 5204 from cnoeabs.peaks (1.46, 1.88, 32.09 ppm; 3.38 A): 1 out of 16 assignments used, quality = 1.00: * HG2 LYS 119 + HB2 LYS 119 OK 100 100 - 100 - 2.9=100 HG3 LYS 31 - HB2 LYS 119 OK 44 100 - 45 - 1.8/2428=5, 5222=3...(21) HD2 LYS 46 - HB2 LYS 119 OK 42 100 - 42 - 2.9/5205=5, 2.9/5205=5...(16) HB3 LEU 58 - HB2 LYS 119 OK 26 65 - 41 - 3.1/8031=4, 3.0/5203=4...(17) HG2 LYS 109 - HB2 LYS 119 OK 26 83 - 31 - 2.9/5203=3, 1.8/4923=3...(12) HG3 ARG 57 - HB2 LYS 119 OK 24 99 - 24 - 3323/4.0=3, 5.1/5200=3...(8) HB2 LEU 93 - HB2 LYS 119 OK 16 100 - 16 - 3.1/8030=2, 613/4.7=1 HB3 LEU 101 - HB2 LYS 119 OK 13 81 - 16 - 3.1/8031=3, ~8034=1, ~7715=1 QB ALA 14 - HB2 LYS 119 lone 10 100 - 10 - 6308/1.8=2, 6306/2.9=2 HG LEU 24 - HB2 LYS 119 lone 9 97 - 9 - HB3 LEU 45 - HB2 LYS 119 lone 8 97 - 8 - HG LEU 91 - HB2 LYS 119 poor 7 60 - 11 - 2.1/8030=2, ~8033=1 QB ALA 89 - HB2 LYS 119 lone 5 83 - 6 - HB3 GLU 75 - HB2 LYS 119 lone 3 97 - 3 - HD2 LYS 65 - HB2 LYS 119 lone 3 89 - 3 - HD3 LYS 65 - HB2 LYS 119 lone 3 89 - 3 - Peak 5205 from cnoeabs.peaks (1.32, 1.88, 32.09 ppm; 3.57 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 119 + HB2 LYS 119 OK 100 100 - 100 - 2.9=100 HG2 LYS 46 + HB2 LYS 119 OK 50 98 - 51 - 5215/1.8=5, 5225/2.9=5...(25) HG3 LYS 46 + HB2 LYS 119 OK 50 98 - 51 - 5215/1.8=5, 5225/2.9=5...(25) HB3 LEU 84 - HB2 LYS 119 OK 26 97 - 27 - 4250=3, 5215/1.8=3...(12) HB3 LEU 59 - HB2 LYS 119 OK 24 68 - 35 - 3.7/5915=5, 3.0/8414=3...(13) QG2 THR 23 - HB2 LYS 119 lone 8 100 - 7 - QG2 THR 17 - HB2 LYS 119 lone 6 98 - 6 - HG CYS 87 - HB2 LYS 119 lone 6 99 - 6 - QB ALA 43 - HB2 LYS 119 lone 5 93 - 5 - Peak 5206 from cnoeabs.peaks (1.60, 1.88, 32.09 ppm; 3.47 A): 2 out of 17 assignments used, quality = 1.00: * HD2 LYS 119 + HB2 LYS 119 OK 94 100 - 94 - 3.7=83, 3.0/5208=7...(33) HD3 LYS 119 + HB2 LYS 119 OK 94 100 - 94 - 3.7=83, 3.0/5208=7...(33) HD3 LYS 31 - HB2 LYS 119 OK 32 71 - 45 - 3.0/2428=4, 3.0/5204=4...(23) HD2 LYS 31 - HB2 LYS 119 OK 32 71 - 45 - 3.0/2428=4, 3.0/5204=4...(23) HG2 PRO 30 - HB2 LYS 119 OK 28 89 - 32 - 2.3/5203=5, ~2380=3...(16) HD2 LYS 32 - HB2 LYS 119 OK 23 93 - 24 - 2.9/8457=3, 5252=1...(8) HD3 LYS 32 - HB2 LYS 119 OK 23 93 - 24 - 2.9/8457=3, 5252=1...(8) HG2 ARG 57 - HB2 LYS 119 OK 18 90 - 20 - 5.1/5200=3, 1.8/5204=3...(7) HB2 LEU 59 - HB2 LYS 119 OK 17 63 - 28 - 3.7/5915=5, 1.8/7080=3...(11) HG LEU 101 - HB2 LYS 119 OK 12 76 - 15 - 2.1/8031=4, ~8034=2...(4) HG3 ARG 81 - HB2 LYS 119 poor 10 90 - 10 - HG2 ARG 81 - HB2 LYS 119 poor 10 90 - 10 - HB2 LEU 126 - HB2 LYS 119 lone 5 99 - 5 - HB3 LEU 126 - HB2 LYS 119 lone 5 99 - 5 - HG12 ILE 63 - HB2 LYS 119 lone 5 99 - 5 - HG LEU 126 - HB2 LYS 119 lone 4 100 - 4 - HG2 ARG 53 - HB2 LYS 119 lone 3 93 - 3 - Peak 5207 from cnoeabs.peaks (1.60, 1.88, 32.09 ppm; 3.47 A): 2 out of 17 assignments used, quality = 1.00: HD2 LYS 119 + HB2 LYS 119 OK 94 100 - 94 - 3.7=83, 3.0/5208=7...(33) * HD3 LYS 119 + HB2 LYS 119 OK 94 100 - 94 - 3.7=83, 3.0/5208=7...(33) HD3 LYS 31 - HB2 LYS 119 OK 33 73 - 45 - 3.0/2428=4, 3.0/5204=4...(23) HD2 LYS 31 - HB2 LYS 119 OK 33 73 - 45 - 3.0/2428=4, 3.0/5204=4...(23) HG2 PRO 30 - HB2 LYS 119 OK 28 90 - 32 - 2.3/5203=5, ~2380=3...(16) HD2 LYS 32 - HB2 LYS 119 OK 23 95 - 24 - 2.9/8457=3, 5252=1...(8) HD3 LYS 32 - HB2 LYS 119 OK 23 95 - 24 - 2.9/8457=3, 5252=1...(8) HB2 LEU 59 - HB2 LYS 119 OK 18 65 - 28 - 3.7/5915=5, 1.8/7080=3...(11) HG2 ARG 57 - HB2 LYS 119 OK 18 89 - 20 - 5.1/5200=3, 1.8/5204=3...(7) HG LEU 101 - HB2 LYS 119 OK 12 78 - 15 - 2.1/8031=4, ~8034=2...(4) HG3 ARG 81 - HB2 LYS 119 poor 9 89 - 10 - HG2 ARG 81 - HB2 LYS 119 poor 9 89 - 10 - HB2 LEU 126 - HB2 LYS 119 lone 5 100 - 5 - HB3 LEU 126 - HB2 LYS 119 lone 5 99 - 5 - HG12 ILE 63 - HB2 LYS 119 lone 5 100 - 5 - HG LEU 126 - HB2 LYS 119 lone 4 100 - 4 - HG2 ARG 53 - HB2 LYS 119 lone 3 95 - 3 - Peak 5208 from cnoeabs.peaks (2.86, 1.88, 32.09 ppm; 4.68 A): 2 out of 10 assignments used, quality = 1.00: * HE2 LYS 119 + HB2 LYS 119 OK 98 100 - 98 - 4.9=88, 5265/2.9=11...(34) HE3 LYS 119 + HB2 LYS 119 OK 98 100 - 98 - 4.9=88, 5265/2.9=11...(34) HB3 ASN 12 - HB2 LYS 119 OK 18 81 - 22 - 3.5/5200=3, 4.0/5915=2...(13) HB3 TYR 67 - HB2 LYS 119 lone 5 73 - 7 - HB2 TYR 67 - HB2 LYS 119 lone 5 73 - 7 - HG CYS 52 - HB2 LYS 119 lone 4 97 - 4 - HB2 ASN 79 - HB2 LYS 119 lone 4 83 - 4 - HB3 PHE 107 - HB2 LYS 119 lone 3 85 - 4 - HB2 ASN 99 - HB2 LYS 119 lone 2 78 - 3 - HB2 ASP 36 - HB2 LYS 119 lone 2 78 - 2 - Peak 5209 from cnoeabs.peaks (2.86, 1.88, 32.09 ppm; 4.68 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 119 + HB2 LYS 119 OK 98 100 - 98 - 4.9=88, 5275/2.9=11...(34) HE2 LYS 119 + HB2 LYS 119 OK 98 100 - 98 - 4.9=88, 5265/2.9=11...(34) HB3 ASN 12 - HB2 LYS 119 OK 17 78 - 22 - 3.5/5200=3, 4.0/5915=2...(13) HB3 TYR 67 - HB2 LYS 119 lone 5 76 - 7 - HB2 TYR 67 - HB2 LYS 119 lone 5 76 - 7 - HB2 ASN 79 - HB2 LYS 119 lone 4 85 - 4 - HG CYS 52 - HB2 LYS 119 lone 4 97 - 4 - HB3 PHE 107 - HB2 LYS 119 lone 3 87 - 4 - HB2 ASN 99 - HB2 LYS 119 lone 2 81 - 3 - HB2 ASP 36 - HB2 LYS 119 lone 2 81 - 3 - Peak 5210 from cnoeabs.peaks (7.60, 1.94, 32.09 ppm; 3.47 A): 4 out of 12 assignments used, quality = 0.92: * H LYS 119 + HB3 LYS 119 OK 83 100 - 84 - 4.0=63, 5200/1.8=19...(13) H ARG 57 + HB3 LYS 119 OK 33 100 - 33 - 5200/1.8=8, 5190/3.0=5...(11) H LYS 119 + HB3 PRO 30 OK 18 88 - 20 - 1384=5, 3.0/5193=3...(7) HD21 ASN 12 + HB3 LYS 119 OK 13 83 - 16 - 5200/1.8=3, 5190/3.0=2...(4) H SER 113 - HB3 LYS 119 poor 10 87 - 11 - 5200/1.8=2, 5190/3.0=2...(4) H GLU 56 - HB3 LYS 119 poor 9 71 - 13 - 5200/1.8=3, 609/4.7=2...(4) H CYS 52 - HB3 LYS 119 lone 6 71 - 8 - 5200/1.8=1 H ARG 57 - HB3 PRO 30 lone 5 88 - 6 - H SER 113 - HB3 PRO 30 lone 4 71 - 6 - H GLU 56 - HB3 PRO 30 lone 2 56 - 3 - H CYS 52 - HB3 PRO 30 lone 1 56 - 3 - HD21 ASN 12 - HB3 PRO 30 lone 1 67 - 1 - Peak 5211 from cnoeabs.peaks (3.83, 1.94, 32.09 ppm; 3.23 A): 1 out of 28 assignments used, quality = 1.00: * HA LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 3.0=100 HA THR 116 - HB3 LYS 119 OK 44 100 - 45 - 6252/1.8=7, 6253=6...(17) HA LYS 119 - HB3 PRO 30 OK 26 88 - 30 - 5193=5, 3.0/5203=4...(11) HA THR 19 - HB3 LYS 119 OK 19 97 - 19 - 5201/1.8=3, 6253=3...(9) HB3 SER 29 - HB3 PRO 30 OK 15 67 - 22 - ~6571=7, ~6608=4...(7) HB2 SER 29 - HB3 PRO 30 OK 15 65 - 22 - ~6571=7, ~6608=4...(7) HA GLU 15 - HB3 PRO 30 OK 11 73 - 16 - 1907/1.8=3, 8188/2.3=2...(6) HA LEU 77 - HB3 LYS 119 OK 11 100 - 11 - 5201/1.8=2, 6108=1 HB3 SER 29 - HB3 LYS 119 poor 10 83 - 12 - 6252/1.8=2, 4.8/2380=1 HB2 SER 29 - HB3 LYS 119 poor 9 81 - 11 - 6252/1.8=1, 4.8/2380=1 HA LEU 77 - HB3 PRO 30 lone 9 87 - 10 - 3990/3.9=2, 8340/1.8=1, 6108=1 HA3 GLY 104 - HB3 PRO 30 poor 7 61 - 11 - ~8568=2, ~2373=1, 4760/3.0=1 HA GLU 15 - HB3 LYS 119 lone 7 89 - 7 - 8187/2.9=1, 5201/1.8=1 HA3 GLY 88 - HB3 LYS 119 lone 6 85 - 7 - 6252/1.8=1 HA THR 116 - HB3 PRO 30 lone 6 88 - 6 - ~589=1 HA2 GLY 88 - HB3 LYS 119 lone 5 76 - 7 - HA THR 33 - HB3 PRO 30 lone 4 49 - 7 - ~130=1 HA THR 19 - HB3 PRO 30 lone 3 83 - 4 - HA3 GLY 39 - HB3 PRO 30 lone 2 54 - 5 - 2.9/154=1, 3.6/6738=1 HB2 SER 35 - HB3 PRO 30 lone 2 59 - 3 - HA3 GLY 39 - HB3 LYS 119 lone 2 68 - 3 - HB THR 33 - HB3 PRO 30 lone 2 47 - 4 - HA THR 33 - HB3 LYS 119 lone 2 63 - 3 - HB THR 33 - HB3 LYS 119 lone 2 60 - 3 - HA3 GLY 104 - HB3 LYS 119 lone 1 76 - 2 - HB2 SER 35 - HB3 LYS 119 lone 1 73 - 2 - HA3 GLY 88 - HB3 PRO 30 lone 1 69 - 1 - HA2 GLY 88 - HB3 PRO 30 lone 1 61 - 1 - Peak 5212 from cnoeabs.peaks (1.88, 1.94, 32.09 ppm; 2.53 A): 1 out of 30 assignments used, quality = 1.00: * HB2 LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 1.8=100 HB3 LYS 31 - HB3 LYS 119 OK 23 100 - 23 - 2420/2.9=2, 5192/3.0=1...(5) HB2 LYS 119 - HB3 PRO 30 OK 23 88 - 26 - 5203=6, 3.0/5193=2...(8) HB2 LEU 58 - HB3 LYS 119 OK 22 95 - 23 - 5192/3.0=2, 1383/4.0=2...(9) HB3 LYS 109 - HB3 LYS 119 OK 16 85 - 19 - 4902=3, ~5203=2...(5) HG LEU 84 - HB3 LYS 119 OK 11 100 - 11 - 4256/2.9=1 HB2 LEU 84 - HB3 LYS 119 OK 11 87 - 12 - 1.8/5215=1, ~5205=1 HB3 LYS 109 - HB3 PRO 30 poor 9 69 - 13 - 4902=2 HB3 LYS 31 - HB3 PRO 30 lone 8 88 - 9 - 4.7/6610=3 HG LEU 55 - HB3 LYS 119 lone 7 100 - 7 - HB ILE 22 - HB3 PRO 30 poor 7 59 - 11 - ~6439=2, 3.2/8033=2...(5) HB VAL 50 - HB3 LYS 119 lone 6 100 - 6 - ~8032=1 HB ILE 22 - HB3 LYS 119 lone 6 73 - 8 - HB2 ARG 81 - HB3 LYS 119 lone 5 76 - 6 - HB2 LEU 58 - HB3 PRO 30 lone 4 79 - 5 - HG LEU 55 - HB3 PRO 30 lone 3 88 - 3 - HB3 GLU 28 - HB3 LYS 119 lone 3 92 - 3 - HG LEU 84 - HB3 PRO 30 lone 2 88 - 3 - HB2 GLU 28 - HB3 LYS 119 lone 2 85 - 3 - HB2 ARG 92 - HB3 LYS 119 lone 2 98 - 2 - HG3 PRO 68 - HB3 LYS 119 lone 2 92 - 2 - HB2 LEU 84 - HB3 PRO 30 lone 1 71 - 2 - HB VAL 50 - HB3 PRO 30 lone 1 88 - 2 - HB3 GLU 28 - HB3 PRO 30 lone 1 76 - 2 - HB2 GLU 28 - HB3 PRO 30 lone 1 69 - 2 - HB3 GLU 73 - HB3 PRO 30 lone 1 54 - 1 - HG3 PRO 68 - HB3 PRO 30 lone 1 76 - 1 - HB2 ARG 81 - HB3 PRO 30 lone 1 61 - 1 - HB3 GLU 73 - HB3 LYS 119 lone 1 68 - 1 - HB2 ARG 92 - HB3 PRO 30 lone 1 84 - 1 - Peak 5213 from cnoeabs.peaks (1.94, 1.94, 32.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 119 + HB3 LYS 119 OK 100 100 - 100 HB3 PRO 30 + HB3 PRO 30 OK 87 87 - 100 Peak 5214 from cnoeabs.peaks (1.46, 1.94, 32.09 ppm; 3.70 A): 3 out of 32 assignments used, quality = 1.00: * HG2 LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 2.9=100 HD2 LYS 46 + HB3 LYS 119 OK 49 100 - 49 - 5204/1.8=5, 2.9/5215=4...(23) HG3 LYS 31 + HB3 LYS 119 OK 49 100 - 49 - 5204/1.8=5, 5223=4...(26) HG2 LYS 119 - HB3 PRO 30 OK 37 88 - 43 - 2.9/5203=5, 5223=4...(23) HG2 LYS 109 - HB3 LYS 119 OK 30 83 - 37 - 1.8/4922=4, 2.9/4902=3...(15) HG3 ARG 57 - HB3 LYS 119 OK 30 99 - 30 - 3323/4.0=3, 5204/1.8=3...(15) HB3 LEU 58 - HB3 LYS 119 OK 29 65 - 45 - 1.8/5212=4, 5204/1.8=3...(20) HB3 LEU 101 - HB3 PRO 30 OK 24 65 - 37 - 3.1/8034=3, 4659/2.3=3...(21) HG3 LYS 31 - HB3 PRO 30 OK 21 88 - 24 - 896/3.9=6, 2400/5.0=5...(5) HB3 LEU 45 - HB3 PRO 30 OK 20 83 - 24 - ~8248=2, 2893/2.3=2...(6) HG LEU 91 - HB3 PRO 30 OK 20 47 - 43 - 2.1/8033=4, ~8245=4...(19) HG2 LYS 109 - HB3 PRO 30 OK 18 67 - 26 - 1.8/4922=2, 2.9/4902=2...(11) HB2 LEU 93 - HB3 LYS 119 OK 17 100 - 17 - 5204/1.8=2, 613/4.7=2...(5) HB3 LEU 101 - HB3 LYS 119 OK 15 81 - 18 - 3.1/8034=3, ~8031=3...(4) HB3 GLU 75 - HB3 PRO 30 OK 14 83 - 17 - ~7319=2, 7318/2.3=2...(6) QB ALA 14 - HB3 LYS 119 OK 13 100 - 13 - 6308=2, 6306/2.9=2, 5204/1.8=1 HG LEU 24 - HB3 LYS 119 OK 11 97 - 11 - 5204/1.8=1 HB3 LEU 45 - HB3 LYS 119 OK 10 97 - 10 - QB ALA 14 - HB3 PRO 30 poor 10 87 - 11 - 6311/3.0=2, 6308=2...(4) HB2 LEU 93 - HB3 PRO 30 lone 8 87 - 9 - 2400/5.0=2, 896/3.9=2 HG LEU 91 - HB3 LYS 119 poor 8 60 - 13 - 2.1/8033=2, ~8030=2 HD2 LYS 46 - HB3 PRO 30 lone 8 88 - 9 - HB3 LEU 58 - HB3 PRO 30 poor 6 52 - 12 - 2400/5.0=1 QB ALA 89 - HB3 LYS 119 lone 5 83 - 6 - HB3 GLU 75 - HB3 LYS 119 lone 4 97 - 5 - HG LEU 24 - HB3 PRO 30 lone 4 83 - 5 - HD2 LYS 65 - HB3 LYS 119 lone 4 89 - 4 - HD3 LYS 65 - HB3 LYS 119 lone 4 89 - 4 - HG3 ARG 57 - HB3 PRO 30 lone 4 86 - 5 - HD2 LYS 65 - HB3 PRO 30 lone 2 73 - 3 - HD3 LYS 65 - HB3 PRO 30 lone 2 73 - 3 - QB ALA 89 - HB3 PRO 30 lone 2 67 - 2 - Peak 5215 from cnoeabs.peaks (1.32, 1.94, 32.09 ppm; 3.80 A): 3 out of 18 assignments used, quality = 1.00: * HG3 LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 2.9=100 HG3 LYS 46 + HB3 LYS 119 OK 56 98 - 58 - 5205/1.8=7, 5195/3.0=5...(32) HG2 LYS 46 + HB3 LYS 119 OK 56 98 - 58 - 5205/1.8=7, 5195/3.0=5...(32) HG3 LYS 119 - HB3 PRO 30 OK 36 88 - 41 - 2.9/5203=5, 1.8/5223=3...(21) HB3 LEU 84 - HB3 LYS 119 OK 29 97 - 29 - 5205/1.8=4, 5195/3.0=2...(11) HB3 LEU 59 - HB3 LYS 119 OK 24 68 - 36 - 3.7/5916=4, 5205/1.8=3...(16) QG2 THR 23 - HB3 LYS 119 lone 9 100 - 9 - 5205/1.8=1 QG2 THR 17 - HB3 LYS 119 lone 8 98 - 8 - HG3 LYS 46 - HB3 PRO 30 lone 8 84 - 9 - HG2 LYS 46 - HB3 PRO 30 lone 8 84 - 9 - HG CYS 87 - HB3 LYS 119 lone 7 99 - 7 - HB3 LEU 59 - HB3 PRO 30 poor 6 54 - 12 - ~7083=1, ~7086=1, 3.7/275=1 QG2 THR 23 - HB3 PRO 30 lone 6 88 - 7 - 2192/2.3=2 QG2 THR 17 - HB3 PRO 30 lone 6 84 - 7 - 8459/3.0=2, ~5967=1 QB ALA 43 - HB3 LYS 119 lone 5 93 - 6 - HB3 LEU 84 - HB3 PRO 30 lone 5 83 - 6 - 4246/3.9=2 QB ALA 43 - HB3 PRO 30 lone 4 78 - 5 - HG CYS 87 - HB3 PRO 30 lone 2 86 - 3 - Peak 5216 from cnoeabs.peaks (1.60, 1.94, 32.09 ppm; 3.32 A): 3 out of 34 assignments used, quality = 1.00: * HD2 LYS 119 + HB3 LYS 119 OK 90 100 - 90 - 3.7=73, 5206/1.8=8...(34) HD3 LYS 119 + HB3 LYS 119 OK 90 100 - 90 - 3.7=73, 5206/1.8=8...(34) HG2 PRO 30 + HB3 PRO 30 OK 73 73 - 100 - 2.3=100 HD2 LYS 32 - HB3 PRO 30 OK 34 78 - 44 - 5.9/6610=4, ~6605=3...(27) HD3 LYS 32 - HB3 PRO 30 OK 34 78 - 44 - 5.9/6610=4, ~6605=3...(27) HD2 LYS 31 - HB3 LYS 119 OK 27 71 - 39 - 5207/1.8=3, 3.4/5212=2...(17) HD3 LYS 31 - HB3 LYS 119 OK 27 71 - 39 - 5207/1.8=3, 3.4/5212=2...(17) HG2 PRO 30 - HB3 LYS 119 OK 27 89 - 30 - 2.3/2369=4, 2383=3...(13) HD3 LYS 119 - HB3 PRO 30 OK 22 88 - 25 - 3.7/5203=3, 3.0/5215=2...(9) HD2 LYS 119 - HB3 PRO 30 OK 22 88 - 25 - 3.7/5203=3, 3.0/5215=2...(10) HD2 LYS 32 - HB3 LYS 119 OK 21 93 - 22 - 5207/1.8=2, 2.9/8456=2...(9) HD3 LYS 32 - HB3 LYS 119 OK 21 93 - 22 - 5207/1.8=2, 2.9/8456=2...(9) HG LEU 101 - HB3 PRO 30 OK 17 61 - 29 - 2.1/8034=3, ~8245=2...(15) HG2 ARG 57 - HB3 LYS 119 OK 17 90 - 19 - 5.1/5210=2, 3315/4.0=2...(9) HB2 LEU 59 - HB3 LYS 119 OK 15 63 - 25 - 3.7/5916=3, ~7080=2...(12) HG LEU 126 - HB3 PRO 30 OK 13 88 - 15 - 2387/3.0=2, 2382/1.8=2...(4) HB2 LEU 126 - HB3 PRO 30 OK 12 86 - 14 - HB3 LEU 126 - HB3 PRO 30 OK 12 86 - 14 - HG LEU 101 - HB3 LYS 119 poor 9 76 - 12 - ~8031=3, 2.1/8034=3 HD2 LYS 31 - HB3 PRO 30 poor 9 56 - 16 - 114/3.9=2, 2456/5.0=2 HD3 LYS 31 - HB3 PRO 30 poor 9 56 - 16 - 114/3.9=2, 2456/5.0=2 HG3 ARG 81 - HB3 LYS 119 lone 8 90 - 9 - HG2 ARG 81 - HB3 LYS 119 lone 8 90 - 9 - HG2 ARG 53 - HB3 PRO 30 lone 6 78 - 8 - HB2 LEU 126 - HB3 LYS 119 lone 5 99 - 5 - HB3 LEU 126 - HB3 LYS 119 lone 5 99 - 5 - HB2 LEU 59 - HB3 PRO 30 lone 5 49 - 10 - HG12 ILE 63 - HB3 LYS 119 lone 4 99 - 4 - HG12 ILE 63 - HB3 PRO 30 lone 4 86 - 5 - HG LEU 126 - HB3 LYS 119 lone 4 100 - 4 - HG2 ARG 53 - HB3 LYS 119 lone 2 93 - 2 - HG2 ARG 57 - HB3 PRO 30 lone 2 75 - 2 - HG2 ARG 81 - HB3 PRO 30 lone 1 75 - 2 - HG3 ARG 81 - HB3 PRO 30 lone 1 75 - 2 - Peak 5217 from cnoeabs.peaks (1.60, 1.94, 32.09 ppm; 3.32 A): 3 out of 34 assignments used, quality = 1.00: HD2 LYS 119 + HB3 LYS 119 OK 90 100 - 90 - 3.7=73, 5206/1.8=8...(34) * HD3 LYS 119 + HB3 LYS 119 OK 90 100 - 90 - 3.7=73, 5206/1.8=8...(34) HG2 PRO 30 + HB3 PRO 30 OK 75 75 - 100 - 2.3=100 HD2 LYS 32 - HB3 PRO 30 OK 35 79 - 44 - 5.9/6610=4, ~6605=3...(27) HD3 LYS 32 - HB3 PRO 30 OK 35 79 - 44 - 5.9/6610=4, ~6605=3...(27) HD2 LYS 31 - HB3 LYS 119 OK 28 73 - 39 - 5207/1.8=3, 3.4/5212=2...(17) HD3 LYS 31 - HB3 LYS 119 OK 28 73 - 39 - 5207/1.8=3, 3.4/5212=2...(17) HG2 PRO 30 - HB3 LYS 119 OK 27 90 - 31 - 2.3/2369=4, 2383=3...(13) HD3 LYS 119 - HB3 PRO 30 OK 22 88 - 26 - 3.7/5203=3, 3.0/5215=2...(9) HD2 LYS 119 - HB3 PRO 30 OK 22 88 - 26 - 3.7/5203=3, 3.0/5215=2...(10) HD2 LYS 32 - HB3 LYS 119 OK 21 95 - 22 - 5207/1.8=2, 2.9/8456=2...(9) HD3 LYS 32 - HB3 LYS 119 OK 21 95 - 22 - 5207/1.8=2, 2.9/8456=2...(9) HG LEU 101 - HB3 PRO 30 OK 18 63 - 29 - 2.1/8034=3, ~8245=2...(15) HG2 ARG 57 - HB3 LYS 119 OK 17 89 - 19 - 5.1/5210=2, 3315/4.0=2...(9) HB2 LEU 59 - HB3 LYS 119 OK 16 65 - 25 - 3.7/5916=3, ~7080=2...(12) HG LEU 126 - HB3 PRO 30 OK 13 88 - 15 - 2387/3.0=2, 2382/1.8=2...(4) HB2 LEU 126 - HB3 PRO 30 OK 12 87 - 14 - HB3 LEU 126 - HB3 PRO 30 OK 12 86 - 14 - HG LEU 101 - HB3 LYS 119 poor 10 78 - 12 - ~8031=3, 2.1/8034=3 HD2 LYS 31 - HB3 PRO 30 poor 10 59 - 17 - 114/3.9=2, 2456/5.0=2...(4) HD3 LYS 31 - HB3 PRO 30 poor 10 59 - 17 - 114/3.9=2, 2456/5.0=2...(4) HG3 ARG 81 - HB3 LYS 119 lone 8 89 - 9 - HG2 ARG 81 - HB3 LYS 119 lone 8 89 - 9 - HG2 ARG 53 - HB3 PRO 30 lone 6 79 - 8 - HB2 LEU 59 - HB3 PRO 30 lone 5 52 - 10 - HB2 LEU 126 - HB3 LYS 119 lone 5 100 - 5 - HB3 LEU 126 - HB3 LYS 119 lone 5 99 - 5 - HG12 ILE 63 - HB3 LYS 119 lone 4 100 - 4 - HG12 ILE 63 - HB3 PRO 30 lone 4 87 - 5 - HG LEU 126 - HB3 LYS 119 lone 4 100 - 4 - HG2 ARG 53 - HB3 LYS 119 lone 2 95 - 2 - HG2 ARG 57 - HB3 PRO 30 lone 2 73 - 2 - HG2 ARG 81 - HB3 PRO 30 lone 1 73 - 2 - HG3 ARG 81 - HB3 PRO 30 lone 1 73 - 2 - Peak 5218 from cnoeabs.peaks (2.86, 1.94, 32.09 ppm; 5.48 A): 2 out of 20 assignments used, quality = 1.00: * HE2 LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 4.9=100 HE3 LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 4.9=100 HE2 LYS 119 - HB3 PRO 30 OK 32 88 - 37 - 4.9/5203=5, 3.9/5223=4...(13) HE3 LYS 119 - HB3 PRO 30 OK 32 88 - 37 - 4.9/5203=5, 3.9/5223=4...(13) HB3 ASN 12 - HB3 LYS 119 OK 23 81 - 28 - 5208/1.8=4, 3.5/5210=3...(13) HB3 PHE 107 - HB3 PRO 30 OK 13 69 - 19 - ~4772=3, ~6586=3...(7) HB3 TYR 67 - HB3 PRO 30 poor 9 59 - 15 - ~6584=3, 2.6/6585=2...(5) HB2 TYR 67 - HB3 PRO 30 poor 9 59 - 15 - ~6584=3, 2.6/6585=2...(5) HB2 ASN 79 - HB3 PRO 30 poor 7 67 - 11 - ~6582=2, ~6581=2 HB3 TYR 67 - HB3 LYS 119 lone 7 73 - 9 - 5209/1.8=1 HB2 TYR 67 - HB3 LYS 119 lone 7 73 - 9 - 5209/1.8=1 HB2 ASN 79 - HB3 LYS 119 lone 6 83 - 7 - 4.5/1157=1 HG CYS 52 - HB3 LYS 119 lone 5 97 - 5 - 5.4/5210=1 HB3 PHE 107 - HB3 LYS 119 lone 4 85 - 5 - HB3 ASN 12 - HB3 PRO 30 lone 4 65 - 6 - 5438/3.9=1 HB2 ASN 99 - HB3 LYS 119 lone 3 78 - 4 - HB2 ASP 36 - HB3 LYS 119 lone 3 78 - 4 - HB2 ASP 36 - HB3 PRO 30 lone 2 63 - 4 - 6660/3.9=1 HG CYS 52 - HB3 PRO 30 lone 2 82 - 3 - HB2 ASN 99 - HB3 PRO 30 lone 2 63 - 3 - Peak 5219 from cnoeabs.peaks (2.86, 1.94, 32.09 ppm; 5.48 A): 2 out of 20 assignments used, quality = 1.00: * HE3 LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 4.9=100 HE2 LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 4.9=100 HE3 LYS 119 - HB3 PRO 30 OK 32 88 - 37 - 4.9/5203=5, 3.9/5223=4...(13) HE2 LYS 119 - HB3 PRO 30 OK 32 88 - 37 - 4.9/5203=5, 3.9/5223=4...(13) HB3 ASN 12 - HB3 LYS 119 OK 22 78 - 28 - 5208/1.8=4, 3.5/5210=3...(13) HB3 PHE 107 - HB3 PRO 30 OK 13 71 - 19 - ~4772=3, ~6586=3...(7) HB3 TYR 67 - HB3 PRO 30 poor 9 61 - 15 - ~6584=3, 2.6/6585=2...(5) HB2 TYR 67 - HB3 PRO 30 poor 9 61 - 15 - ~6584=3, 2.6/6585=2...(5) HB2 ASN 79 - HB3 PRO 30 poor 8 69 - 11 - ~6582=2, ~6581=2 HB3 TYR 67 - HB3 LYS 119 lone 7 76 - 9 - 5209/1.8=1 HB2 TYR 67 - HB3 LYS 119 lone 7 76 - 9 - 5209/1.8=1 HB2 ASN 79 - HB3 LYS 119 lone 6 85 - 7 - 4.5/1157=1 HG CYS 52 - HB3 LYS 119 lone 5 97 - 5 - 5.4/5210=1 HB3 PHE 107 - HB3 LYS 119 lone 5 87 - 5 - HB3 ASN 12 - HB3 PRO 30 lone 4 63 - 6 - 5438/3.9=1 HB2 ASN 99 - HB3 LYS 119 lone 3 81 - 4 - HB2 ASP 36 - HB3 LYS 119 lone 3 81 - 4 - HB2 ASP 36 - HB3 PRO 30 lone 3 65 - 4 - 6660/3.9=1 HG CYS 52 - HB3 PRO 30 lone 2 83 - 3 - HB2 ASN 99 - HB3 PRO 30 lone 2 65 - 3 - Peak 5220 from cnoeabs.peaks (7.60, 1.46, 24.55 ppm; 4.04 A): 3 out of 12 assignments used, quality = 0.95: * H LYS 119 + HG2 LYS 119 OK 87 100 - 87 - 4.9=55, 5200/2.9=19...(18) H ARG 57 + HG2 LYS 119 OK 45 100 - 45 - 5200/2.9=7, 5210/2.9=6...(17) H LYS 119 + HG3 LYS 31 OK 28 92 - 30 - 1385=5, 3.0/5194=4...(10) HD21 ASN 12 - HG2 LYS 119 OK 18 83 - 22 - 5200/2.9=3, 5210/2.9=3...(9) H SER 113 - HG2 LYS 119 OK 14 87 - 16 - 5200/2.9=2, 5210/2.9=2...(4) H GLU 56 - HG2 LYS 119 OK 14 71 - 19 - 5200/2.9=3, 4.6/1042=3...(7) H GLU 56 - HG3 LYS 31 OK 10 59 - 17 - 253/2.9=3, 4.2/2437=2...(9) H ARG 57 - HG3 LYS 31 lone 9 91 - 10 - 1042=1, 4.6/268=1 H CYS 52 - HG2 LYS 119 poor 8 71 - 12 - 6946/3.9=2, 6946/3.9=2...(4) HD21 ASN 12 - HG3 LYS 31 lone 6 71 - 9 - 649/3.8=1, 649/3.8=1 H SER 113 - HG3 LYS 31 lone 5 75 - 7 - 1760/3.8=1, 1760/3.8=1 H CYS 52 - HG3 LYS 31 lone 2 59 - 4 - Peak 5221 from cnoeabs.peaks (3.83, 1.46, 24.55 ppm; 3.78 A): 2 out of 28 assignments used, quality = 0.97: * HA LYS 119 + HG2 LYS 119 OK 94 100 - 94 - 4.0=81, 5195/1.8=14...(21) HA THR 116 + HG2 LYS 119 OK 50 100 - 51 - 6252/2.9=7, 3.2/7992=6...(17) HA LYS 119 - HG3 LYS 31 OK 34 92 - 37 - 5194=6, 3.0/5204=4...(13) HA LEU 77 - HG3 LYS 31 OK 22 90 - 24 - 3993/2.9=4, ~1141=2...(11) HA THR 19 - HG2 LYS 119 OK 19 97 - 20 - 5201/2.9=3, 6253/2.9=2...(9) HA LEU 77 - HG2 LYS 119 OK 12 100 - 12 - 6108/2.9=2, 5201/2.9=2 HB3 SER 29 - HG2 LYS 119 OK 11 83 - 13 - 6252/2.9=1, 5231/1.8=1 HB2 SER 29 - HG2 LYS 119 OK 11 81 - 13 - 6252/2.9=1, 5231/1.8=1 HA GLU 15 - HG2 LYS 119 OK 11 89 - 12 - 8187=3, 3.0/27=1, 5201/2.9=1 HA3 GLY 88 - HG2 LYS 119 poor 9 85 - 10 - ~7551=1 HA2 GLY 88 - HG2 LYS 119 lone 8 76 - 10 - ~7551=1 HA THR 116 - HG3 LYS 31 lone 7 91 - 8 - 3.2/7992=1 HB3 SER 29 - HG3 LYS 31 lone 6 71 - 9 - 8706/3.8=2, 8706/3.8=2 HB2 SER 29 - HG3 LYS 31 lone 6 68 - 9 - 8706/3.8=2, 8706/3.8=2 HA THR 19 - HG3 LYS 31 lone 3 87 - 3 - HA GLU 15 - HG3 LYS 31 lone 3 76 - 4 - HA THR 33 - HG2 LYS 119 lone 2 63 - 4 - HA3 GLY 39 - HG2 LYS 119 lone 2 68 - 3 - HB THR 33 - HG2 LYS 119 lone 2 60 - 3 - HA3 GLY 39 - HG3 LYS 31 lone 2 57 - 3 - HA THR 33 - HG3 LYS 31 lone 2 52 - 3 - HB2 SER 35 - HG2 LYS 119 lone 2 73 - 2 - HA3 GLY 104 - HG2 LYS 119 lone 2 76 - 2 - HA3 GLY 88 - HG3 LYS 31 lone 1 73 - 2 - HA2 GLY 88 - HG3 LYS 31 lone 1 64 - 2 - HB THR 33 - HG3 LYS 31 lone 1 50 - 2 - HB2 SER 35 - HG3 LYS 31 lone 1 62 - 1 - HA3 GLY 104 - HG3 LYS 31 lone 1 64 - 1 - Peak 5222 from cnoeabs.peaks (1.88, 1.46, 24.55 ppm; 3.56 A): 4 out of 30 assignments used, quality = 1.00: * HB2 LYS 119 + HG2 LYS 119 OK 100 100 - 100 - 2.9=100 HB3 LYS 31 + HG3 LYS 31 OK 92 92 - 100 - 2.9=100 HB3 LYS 31 + HG2 LYS 119 OK 50 100 - 51 - 2420=7, 2.9/2430=4...(24) HB2 LYS 119 + HG3 LYS 31 OK 45 92 - 50 - 5204=6, 2428/1.8=6...(25) HB2 LEU 58 - HG2 LYS 119 OK 35 95 - 37 - 5212/2.9=3, 5192/4.0=3...(16) HG LEU 55 - HG3 LYS 31 OK 34 92 - 37 - 2428/1.8=5, 3243/2.9=4...(19) HB2 LEU 58 - HG3 LYS 31 OK 30 83 - 36 - 2428/1.8=4, ~8306=3...(18) HB3 LYS 109 - HG2 LYS 119 OK 27 85 - 32 - 4902/2.9=3, 1.8/5223=2...(14) HG LEU 84 - HG2 LYS 119 OK 24 100 - 24 - 4256/1.8=3, ~4263=2...(8) HB2 LEU 84 - HG2 LYS 119 OK 22 87 - 25 - 4242/1.8=3, 1.8/5225=2...(11) HB3 LYS 109 - HG3 LYS 31 OK 16 73 - 22 - 2428/1.8=2, 4904=2...(6) HG LEU 55 - HG2 LYS 119 OK 14 100 - 14 - 1383/4.9=1, 5192/4.0=1 HB VAL 50 - HG2 LYS 119 OK 12 100 - 12 - ~8032=2, ~8283=1...(4) HB ILE 22 - HG2 LYS 119 OK 11 73 - 15 - ~6436=2, 5982/4.0=1...(5) HB2 ARG 81 - HG2 LYS 119 OK 11 76 - 14 - ~6136=2 HG LEU 84 - HG3 LYS 31 OK 10 91 - 11 - 4253/4.7=2, 2428/1.8=1 HB3 GLU 28 - HG3 LYS 31 poor 9 80 - 11 - 2428/1.8=1, 2316/4.7=1 HB2 GLU 28 - HG3 LYS 31 poor 8 73 - 11 - 2428/1.8=1, 2310/4.7=1 HB2 LEU 84 - HG3 LYS 31 poor 8 75 - 10 - 2428/1.8=1 HB VAL 50 - HG3 LYS 31 lone 6 92 - 6 - HB2 ARG 92 - HG3 LYS 31 lone 5 88 - 6 - 4.2/1232=1 HB3 GLU 28 - HG2 LYS 119 lone 4 92 - 5 - HB2 GLU 28 - HG2 LYS 119 lone 4 85 - 5 - HB2 ARG 92 - HG2 LYS 119 lone 4 98 - 4 - HG3 PRO 68 - HG3 LYS 31 lone 4 80 - 4 - HB ILE 22 - HG3 LYS 31 lone 3 62 - 5 - HG3 PRO 68 - HG2 LYS 119 lone 3 92 - 3 - HB2 ARG 81 - HG3 LYS 31 lone 2 64 - 3 - HB3 GLU 73 - HG2 LYS 119 lone 1 68 - 2 - HB3 GLU 73 - HG3 LYS 31 lone 1 57 - 2 - Peak 5223 from cnoeabs.peaks (1.94, 1.46, 24.55 ppm; 4.00 A): 3 out of 30 assignments used, quality = 1.00: * HB3 LYS 119 + HG2 LYS 119 OK 100 100 - 100 - 2.9=100 HB3 LYS 119 + HG3 LYS 31 OK 50 92 - 55 - 1.8/5204=6, ~2428=4...(30) HB3 PRO 30 + HG2 LYS 119 OK 47 100 - 47 - 5203/2.9=5, 5215/1.8=4...(25) HG LEU 58 - HG2 LYS 119 OK 41 97 - 43 - 5203/2.9=4, 5193/4.0=4...(24) HB2 LYS 109 - HG2 LYS 119 OK 39 99 - 40 - 5203/2.9=4, 4894=3...(18) HG LEU 58 - HG3 LYS 31 OK 30 85 - 35 - 3370/2.9=3, ~7062=3...(17) HB3 PRO 30 - HG3 LYS 31 OK 24 91 - 27 - 3.9/896=7, 5.0/2400=6...(6) HB2 LYS 109 - HG3 LYS 31 OK 23 90 - 25 - 4894=2, 4893/2.9=2...(10) HB ILE 80 - HG2 LYS 119 OK 20 81 - 25 - ~8457=3, 6109/4.0=3...(9) HB2 LEU 21 - HG2 LYS 119 OK 15 89 - 17 - ~8031=2, ~8034=1...(7) HB2 GLU 38 - HG2 LYS 119 OK 10 100 - 10 - 3.0/6707=1 HG LEU 45 - HG2 LYS 119 poor 7 63 - 11 - 2.1/2915=1 HB2 ARG 85 - HG2 LYS 119 lone 7 100 - 7 - HB3 ARG 85 - HG2 LYS 119 lone 7 100 - 7 - HB2 GLU 38 - HG3 LYS 31 lone 6 91 - 6 - 3.0/6707=1 HG LEU 45 - HG3 LYS 31 lone 5 52 - 10 - HB2 GLU 64 - HG2 LYS 119 lone 5 99 - 5 - HB3 GLU 64 - HG2 LYS 119 lone 5 99 - 5 - HB3 GLU 69 - HG2 LYS 119 lone 4 100 - 4 - HB3 ARG 85 - HG3 LYS 31 lone 4 91 - 4 - HB2 ARG 85 - HG3 LYS 31 lone 4 91 - 4 - HB3 MET 11 - HG2 LYS 119 lone 4 65 - 6 - 4.2/5917=1 HB3 GLU 94 - HG2 LYS 119 lone 4 97 - 4 - HB3 GLU 94 - HG3 LYS 31 lone 3 87 - 3 - 4.0/460=1 HB ILE 80 - HG3 LYS 31 lone 3 68 - 4 - HB3 GLU 69 - HG3 LYS 31 lone 2 92 - 2 - HB2 LEU 21 - HG3 LYS 31 lone 2 76 - 2 - HB2 GLU 64 - HG3 LYS 31 lone 2 90 - 2 - HB3 GLU 64 - HG3 LYS 31 lone 2 88 - 2 - HB3 MET 11 - HG3 LYS 31 lone 1 55 - 2 - Peak 5224 from cnoeabs.peaks (1.46, 1.46, 24.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 119 + HG2 LYS 119 OK 100 100 - 100 HG3 LYS 31 + HG3 LYS 31 OK 91 91 - 100 Peak 5225 from cnoeabs.peaks (1.32, 1.46, 24.55 ppm; 2.59 A): 1 out of 18 assignments used, quality = 1.00: * HG3 LYS 119 + HG2 LYS 119 OK 100 100 - 100 - 1.8=100 HG3 LYS 46 - HG2 LYS 119 OK 33 98 - 33 - 5205/2.9=3, 5234=2...(13) HG2 LYS 46 - HG2 LYS 119 OK 33 98 - 33 - 5205/2.9=3, 5234=2...(13) HG3 LYS 119 - HG3 LYS 31 OK 23 92 - 26 - 2.9/5204=2, ~2430=2...(8) HB3 LEU 84 - HG2 LYS 119 OK 12 97 - 13 - 5205/2.9=1 HB3 LEU 59 - HG2 LYS 119 poor 10 68 - 14 - 5205/2.9=1, 3.7/5917=1 HB3 LEU 59 - HG3 LYS 31 poor 9 57 - 16 - ~3399=1, ~2432=1...(6) HG3 LYS 46 - HG3 LYS 31 lone 5 88 - 5 - HG2 LYS 46 - HG3 LYS 31 lone 5 88 - 5 - QG2 THR 23 - HG2 LYS 119 lone 4 100 - 4 - QG2 THR 17 - HG2 LYS 119 lone 4 98 - 4 - HG CYS 87 - HG2 LYS 119 lone 4 99 - 4 - HB3 LEU 84 - HG3 LYS 31 lone 3 87 - 4 - QB ALA 43 - HG2 LYS 119 lone 3 93 - 3 - QG2 THR 23 - HG3 LYS 31 lone 1 91 - 2 - QB ALA 43 - HG3 LYS 31 lone 1 81 - 1 - QG2 THR 17 - HG3 LYS 31 lone 1 88 - 1 - HG CYS 87 - HG3 LYS 31 lone 1 89 - 1 - Peak 5226 from cnoeabs.peaks (1.60, 1.46, 24.55 ppm; 2.91 A): 4 out of 34 assignments used, quality = 1.00: * HD2 LYS 119 + HG2 LYS 119 OK 97 100 - 97 - 3.0=94, 1.8/5244=6...(24) HD3 LYS 119 + HG2 LYS 119 OK 97 100 - 97 - 3.0=94, 1.8/5244=6...(24) HD3 LYS 31 + HG3 LYS 31 OK 58 59 - 97 - 3.0=96, 1.8/2460=7...(18) HD2 LYS 31 + HG3 LYS 31 OK 58 59 - 97 - 3.0=96, 1.8/2450=7...(18) HD2 LYS 119 - HG3 LYS 31 OK 25 92 - 28 - 3.0/5225=2, 5244=2...(12) HD3 LYS 119 - HG3 LYS 31 OK 25 92 - 28 - 3.0/5225=2, 5244=2...(10) HD2 LYS 31 - HG2 LYS 119 OK 23 71 - 33 - 3.0/2430=3, 2450=2...(11) HD3 LYS 31 - HG2 LYS 119 OK 23 71 - 33 - 3.0/2430=3, 2450=2...(11) HG2 ARG 57 - HG2 LYS 119 OK 19 90 - 21 - 3320=3, 2.9/3336=2...(8) HG2 PRO 30 - HG2 LYS 119 OK 18 89 - 20 - 2.3/5223=2, 2383/2.9=1...(6) HD2 LYS 32 - HG2 LYS 119 OK 16 93 - 17 - 5254=1, 5255/1.8=1, 5207/2.9=1 HD3 LYS 32 - HG2 LYS 119 OK 16 93 - 17 - 5254=1, 5255/1.8=1, 5207/2.9=1 HB2 LEU 59 - HG2 LYS 119 OK 11 63 - 17 - 1.8/5225=1, 3.7/5917=1...(5) HB2 LEU 59 - HG3 LYS 31 OK 10 52 - 20 - 1.8/2439=2, 3399/1.8=2...(8) HD2 LYS 32 - HG3 LYS 31 poor 9 81 - 11 - 5.9/123=1 HD3 LYS 32 - HG3 LYS 31 poor 9 81 - 11 - 5.9/123=1 HG LEU 101 - HG2 LYS 119 poor 8 76 - 10 - ~8031=1 HG2 ARG 81 - HG2 LYS 119 lone 6 90 - 7 - HG3 ARG 81 - HG2 LYS 119 lone 6 90 - 7 - HG LEU 101 - HG3 LYS 31 lone 6 64 - 10 - ~8445=1 HG2 ARG 53 - HG3 LYS 31 lone 6 81 - 7 - HG2 PRO 30 - HG3 LYS 31 lone 5 76 - 6 - HG12 ILE 63 - HG2 LYS 119 lone 4 99 - 4 - HB2 LEU 126 - HG2 LYS 119 lone 3 99 - 3 - HB3 LEU 126 - HG2 LYS 119 lone 3 99 - 3 - HG LEU 126 - HG2 LYS 119 lone 3 100 - 3 - HG2 ARG 57 - HG3 LYS 31 lone 3 78 - 3 - HG2 ARG 53 - HG2 LYS 119 lone 2 93 - 2 - HG12 ILE 63 - HG3 LYS 31 lone 2 90 - 2 - HB2 LEU 126 - HG3 LYS 31 lone 2 90 - 2 - HB3 LEU 126 - HG3 LYS 31 lone 2 89 - 2 - HG LEU 126 - HG3 LYS 31 lone 1 92 - 2 - HG3 ARG 81 - HG3 LYS 31 lone 1 78 - 1 - HG2 ARG 81 - HG3 LYS 31 lone 1 78 - 1 - Peak 5227 from cnoeabs.peaks (1.60, 1.46, 24.55 ppm; 2.91 A): 4 out of 34 assignments used, quality = 1.00: * HD3 LYS 119 + HG2 LYS 119 OK 97 100 - 97 - 3.0=94, 1.8/5244=6...(24) HD2 LYS 119 + HG2 LYS 119 OK 97 100 - 97 - 3.0=94, 1.8/5244=6...(24) HD3 LYS 31 + HG3 LYS 31 OK 60 62 - 97 - 3.0=96, 1.8/2460=7...(18) HD2 LYS 31 + HG3 LYS 31 OK 60 62 - 97 - 3.0=96, 1.8/2450=7...(18) HD2 LYS 119 - HG3 LYS 31 OK 25 92 - 28 - 3.0/5225=2, 5244=2...(12) HD3 LYS 119 - HG3 LYS 31 OK 25 92 - 28 - 3.0/5225=2, 5244=2...(10) HD2 LYS 31 - HG2 LYS 119 OK 24 73 - 33 - 3.0/2430=3, 2450=2...(11) HD3 LYS 31 - HG2 LYS 119 OK 24 73 - 33 - 3.0/2430=3, 2450=2...(11) HG2 ARG 57 - HG2 LYS 119 OK 18 89 - 21 - 3320=3, 2.9/3336=2...(8) HG2 PRO 30 - HG2 LYS 119 OK 18 90 - 20 - 2.3/5223=2, 2383/2.9=1...(6) HD2 LYS 32 - HG2 LYS 119 OK 16 95 - 17 - 5254=1, 5255/1.8=1, 5207/2.9=1 HD3 LYS 32 - HG2 LYS 119 OK 16 95 - 17 - 5254=1, 5255/1.8=1, 5207/2.9=1 HB2 LEU 59 - HG2 LYS 119 OK 11 65 - 17 - 1.8/5225=1, 3.7/5917=1...(5) HB2 LEU 59 - HG3 LYS 31 OK 11 55 - 20 - 1.8/2439=2, 3399/1.8=2...(8) HD2 LYS 32 - HG3 LYS 31 poor 9 83 - 11 - 5.9/123=1 HD3 LYS 32 - HG3 LYS 31 poor 9 83 - 11 - 5.9/123=1 HG LEU 101 - HG2 LYS 119 poor 8 78 - 11 - ~8031=1 HG LEU 101 - HG3 LYS 31 lone 7 66 - 10 - ~8445=1 HG2 ARG 53 - HG3 LYS 31 lone 6 83 - 8 - HG3 ARG 81 - HG2 LYS 119 lone 6 89 - 7 - HG2 ARG 81 - HG2 LYS 119 lone 6 89 - 7 - HG2 PRO 30 - HG3 LYS 31 lone 5 78 - 6 - HG12 ILE 63 - HG2 LYS 119 lone 4 100 - 4 - HB2 LEU 126 - HG2 LYS 119 lone 3 100 - 3 - HB3 LEU 126 - HG2 LYS 119 lone 3 99 - 3 - HG LEU 126 - HG2 LYS 119 lone 3 100 - 3 - HG2 ARG 57 - HG3 LYS 31 lone 3 76 - 3 - HG2 ARG 53 - HG2 LYS 119 lone 2 95 - 2 - HG12 ILE 63 - HG3 LYS 31 lone 2 90 - 2 - HB2 LEU 126 - HG3 LYS 31 lone 2 90 - 2 - HB3 LEU 126 - HG3 LYS 31 lone 2 90 - 2 - HG LEU 126 - HG3 LYS 31 lone 1 91 - 2 - HG3 ARG 81 - HG3 LYS 31 lone 1 76 - 1 - HG2 ARG 81 - HG3 LYS 31 lone 1 76 - 1 - Peak 5228 from cnoeabs.peaks (2.86, 1.46, 24.55 ppm; 4.06 A): 2 out of 20 assignments used, quality = 1.00: * HE2 LYS 119 + HG2 LYS 119 OK 100 100 - 100 - 3.9=100 HE3 LYS 119 + HG2 LYS 119 OK 100 100 - 100 - 3.9=100 HE2 LYS 119 - HG3 LYS 31 OK 28 92 - 31 - 3.9/5225=3, 5264=3...(15) HE3 LYS 119 - HG3 LYS 31 OK 28 92 - 31 - 3.9/5225=3, 5264=3...(15) HB3 ASN 12 - HG2 LYS 119 OK 12 81 - 15 - 3.5/5220=2, 5208/2.9=2...(9) HB3 ASN 12 - HG3 LYS 31 poor 8 68 - 12 - 1882/3.8=1, 1882/3.8=1...(4) HB3 TYR 67 - HG2 LYS 119 lone 4 73 - 6 - HB2 TYR 67 - HG2 LYS 119 lone 4 73 - 6 - HG CYS 52 - HG2 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HG2 LYS 119 lone 3 83 - 3 - HB3 PHE 107 - HG2 LYS 119 lone 3 85 - 3 - HB2 ASN 79 - HG3 LYS 31 lone 3 71 - 4 - HB2 ASP 36 - HG2 LYS 119 lone 2 78 - 2 - HB2 ASN 99 - HG2 LYS 119 lone 2 78 - 2 - HB3 PHE 107 - HG3 LYS 31 lone 1 73 - 2 - HB2 ASP 36 - HG3 LYS 31 lone 1 66 - 2 - HG CYS 52 - HG3 LYS 31 lone 1 85 - 1 - HB3 TYR 67 - HG3 LYS 31 lone 1 62 - 1 - HB2 TYR 67 - HG3 LYS 31 lone 1 62 - 1 - HB2 ASN 99 - HG3 LYS 31 lone 1 66 - 1 - Peak 5229 from cnoeabs.peaks (2.86, 1.46, 24.55 ppm; 4.06 A): 2 out of 20 assignments used, quality = 1.00: * HE3 LYS 119 + HG2 LYS 119 OK 100 100 - 100 - 3.9=100 HE2 LYS 119 + HG2 LYS 119 OK 100 100 - 100 - 3.9=100 HE3 LYS 119 - HG3 LYS 31 OK 28 92 - 31 - 3.9/5225=3, 5274=3...(15) HE2 LYS 119 - HG3 LYS 31 OK 28 92 - 31 - 3.9/5225=3, 5264=3...(15) HB3 ASN 12 - HG2 LYS 119 OK 12 78 - 15 - 3.5/5220=2, 5208/2.9=2...(9) HB3 ASN 12 - HG3 LYS 31 poor 8 66 - 11 - 1882/3.8=1, 1882/3.8=1...(4) HB3 TYR 67 - HG2 LYS 119 lone 4 76 - 6 - HB2 TYR 67 - HG2 LYS 119 lone 4 76 - 6 - HG CYS 52 - HG2 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HG2 LYS 119 lone 3 85 - 4 - HB3 PHE 107 - HG2 LYS 119 lone 3 87 - 3 - HB2 ASN 79 - HG3 LYS 31 lone 3 73 - 4 - HB2 ASP 36 - HG2 LYS 119 lone 2 81 - 2 - HB2 ASN 99 - HG2 LYS 119 lone 2 81 - 2 - HB3 PHE 107 - HG3 LYS 31 lone 1 75 - 2 - HB2 ASP 36 - HG3 LYS 31 lone 1 68 - 2 - HG CYS 52 - HG3 LYS 31 lone 1 87 - 1 - HB3 TYR 67 - HG3 LYS 31 lone 1 64 - 1 - HB2 TYR 67 - HG3 LYS 31 lone 1 64 - 1 - HB2 ASN 99 - HG3 LYS 31 lone 1 68 - 1 - Peak 5230 from cnoeabs.peaks (7.60, 1.32, 24.55 ppm; 4.26 A): 3 out of 18 assignments used, quality = 0.97: * H LYS 119 + HG3 LYS 119 OK 91 100 - 91 - 4.9=65, 5200/2.9=20...(16) H LYS 119 + HG2 LYS 46 OK 42 90 - 47 - 1386=8, 1386/1.8=7...(14) H LYS 119 + HG3 LYS 46 OK 42 90 - 47 - 1386=8, 1386/1.8=7...(14) H ARG 57 - HG3 LYS 119 OK 40 100 - 40 - 5200/2.9=8, 5220/1.8=8...(11) HD21 ASN 12 - HG3 LYS 119 OK 20 83 - 24 - 5200/2.9=3, 5220/1.8=3...(8) H SER 113 - HG3 LYS 119 OK 14 87 - 17 - 5200/2.9=3, 5220/1.8=2...(4) H GLU 56 - HG3 LYS 119 OK 12 71 - 17 - 5200/2.9=3, 5220/1.8=2...(6) H CYS 52 - HG3 LYS 119 poor 9 71 - 12 - 6946/3.9=2, 6946/3.9=2...(6) H SER 113 - HG2 LYS 46 poor 8 73 - 11 - 4.6/7559=3 H SER 113 - HG3 LYS 46 poor 8 73 - 11 - 4.6/7559=3 H ARG 57 - HG2 LYS 46 lone 7 90 - 8 - H ARG 57 - HG3 LYS 46 lone 7 90 - 8 - H GLU 56 - HG3 LYS 46 lone 4 58 - 6 - H GLU 56 - HG2 LYS 46 lone 4 58 - 6 - H CYS 52 - HG2 LYS 46 lone 2 58 - 3 - H CYS 52 - HG3 LYS 46 lone 2 58 - 3 - HD21 ASN 12 - HG2 LYS 46 lone 2 69 - 2 - HD21 ASN 12 - HG3 LYS 46 lone 2 69 - 2 - Peak 5231 from cnoeabs.peaks (3.83, 1.32, 24.55 ppm; 3.66 A): 3 out of 42 assignments used, quality = 0.97: * HA LYS 119 + HG3 LYS 119 OK 90 100 - 90 - 4.0=74, 5194/1.8=11...(21) HA THR 116 + HG3 LYS 119 OK 45 100 - 45 - 6252/2.9=7, 5221/1.8=5...(16) HA LYS 119 + HG3 LYS 46 OK 42 90 - 46 - 5195=9, 5195/1.8=6...(18) HA LYS 119 - HG2 LYS 46 OK 42 90 - 46 - 5195=9, 5195/1.8=6...(18) HA THR 19 - HG3 LYS 119 OK 17 97 - 17 - 5201/2.9=3, 6253/2.9=2...(8) HB3 SER 29 - HG3 LYS 119 OK 11 83 - 13 - 6252/2.9=1, 5221/1.8=1 HA LEU 77 - HG3 LYS 119 OK 10 100 - 10 - 5201/2.9=2, 6108/2.9=2 HB2 SER 29 - HG3 LYS 119 OK 10 81 - 12 - 6252/2.9=1, 5221/1.8=1 HA3 GLY 88 - HG3 LYS 119 lone 9 85 - 10 - 3.0/7551=2 HA THR 116 - HG3 LYS 46 lone 8 90 - 9 - 3.0/821=1 HA THR 116 - HG2 LYS 46 lone 8 90 - 9 - 3.0/821=1 HA2 GLY 88 - HG3 LYS 119 lone 8 76 - 10 - 3.0/7551=2 HA GLU 15 - HG3 LYS 119 lone 7 89 - 8 - 8187/1.8=2 HA3 GLY 88 - HG3 LYS 46 lone 3 71 - 4 - 3.0/7551=1 HA3 GLY 88 - HG2 LYS 46 lone 3 71 - 4 - 3.0/7551=1 HA GLU 15 - HG3 LYS 46 lone 3 75 - 4 - HA GLU 15 - HG2 LYS 46 lone 3 75 - 4 - HA2 GLY 88 - HG2 LYS 46 lone 3 63 - 4 - 3.0/7551=1 HA2 GLY 88 - HG3 LYS 46 lone 3 63 - 4 - 3.0/7551=1 HA THR 19 - HG2 LYS 46 lone 2 85 - 3 - HA THR 19 - HG3 LYS 46 lone 2 85 - 3 - HA3 GLY 104 - HG2 LYS 46 lone 2 63 - 4 - ~515=1 HA3 GLY 104 - HG3 LYS 46 lone 2 63 - 4 - ~515=1 HA THR 33 - HG3 LYS 119 lone 2 63 - 3 - HA LEU 77 - HG3 LYS 46 lone 2 89 - 2 - HA LEU 77 - HG2 LYS 46 lone 2 89 - 2 - HA3 GLY 39 - HG3 LYS 119 lone 2 68 - 3 - HB THR 33 - HG3 LYS 119 lone 2 60 - 3 - HA3 GLY 104 - HG3 LYS 119 lone 1 76 - 2 - HB2 SER 35 - HG3 LYS 119 lone 1 73 - 2 - HB3 SER 29 - HG2 LYS 46 lone 1 69 - 1 - HB3 SER 29 - HG3 LYS 46 lone 1 69 - 1 - HA3 GLY 39 - HG2 LYS 46 lone 1 56 - 2 - HA3 GLY 39 - HG3 LYS 46 lone 1 56 - 2 - HB2 SER 29 - HG3 LYS 46 lone 1 67 - 1 - HB2 SER 29 - HG2 LYS 46 lone 1 67 - 1 - HB2 SER 35 - HG2 LYS 46 lone 0 60 - 1 - HB2 SER 35 - HG3 LYS 46 lone 0 60 - 1 - HA THR 33 - HG3 LYS 46 lone 0 51 - 1 - HA THR 33 - HG2 LYS 46 lone 0 51 - 1 - HB THR 33 - HG3 LYS 46 lone 0 49 - 1 - HB THR 33 - HG2 LYS 46 lone 0 49 - 1 - Peak 5232 from cnoeabs.peaks (1.88, 1.32, 24.55 ppm; 3.80 A): 4 out of 45 assignments used, quality = 1.00: * HB2 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 2.9=100 HB2 LYS 119 + HG2 LYS 46 OK 55 90 - 61 - 5205=9, 5205/1.8=7...(32) HB2 LYS 119 + HG3 LYS 46 OK 55 90 - 61 - 5205=9, 5205/1.8=7...(32) HB3 LYS 31 + HG3 LYS 119 OK 52 100 - 52 - 2420/1.8=6, 2.9/5225=4...(25) HB3 LYS 109 - HG2 LYS 46 OK 38 71 - 53 - 4905/2.9=5, ~4895=4...(32) HB3 LYS 109 - HG3 LYS 46 OK 38 71 - 53 - 4905/2.9=5, ~4895=4...(32) HB2 LEU 58 - HG3 LYS 119 OK 37 95 - 39 - 5212/2.9=3, 5192/4.0=3...(21) HG LEU 84 - HG3 LYS 119 OK 32 100 - 32 - 4256=4, 2.1/4263=3...(12) HB2 LEU 84 - HG3 LYS 119 OK 30 87 - 34 - 4242=3, 3.0/4256=3...(15) HB3 LYS 109 - HG3 LYS 119 OK 28 85 - 34 - 4902/2.9=3, 4904/1.8=3...(16) HG3 PRO 68 - HG3 LYS 46 OK 20 78 - 25 - ~6867=2, ~6866=2...(11) HG3 PRO 68 - HG2 LYS 46 OK 20 78 - 25 - ~6867=2, ~6866=2...(11) HG LEU 55 - HG3 LYS 119 OK 15 100 - 15 - 1383/4.9=2, 5192/4.0=2 HB VAL 50 - HG3 LYS 119 OK 14 100 - 14 - ~8032=2, 2.1/8283=2...(4) HB ILE 22 - HG3 LYS 119 OK 14 73 - 19 - 2.1/6436=3, 5982/4.0=2...(6) HB2 ARG 81 - HG3 LYS 119 OK 13 76 - 17 - 3.0/6136=4 HG LEU 84 - HG3 LYS 46 OK 12 90 - 13 - 4256=1, 2.1/4263=1...(4) HG LEU 84 - HG2 LYS 46 OK 12 90 - 13 - 4256=1, 2.1/4263=1...(4) HB3 LYS 31 - HG3 LYS 46 OK 11 90 - 12 - 2420/2.9=1 HB3 LYS 31 - HG2 LYS 46 OK 11 90 - 12 - 2420/2.9=1 HG LEU 55 - HG3 LYS 46 OK 10 90 - 11 - 8298/1.8=1 HG LEU 55 - HG2 LYS 46 OK 10 90 - 11 - 8298/1.8=1 HB2 LEU 84 - HG3 LYS 46 OK 10 73 - 14 - 4242=1, 3.1/4263=1...(5) HB2 LEU 84 - HG2 LYS 46 OK 10 73 - 14 - 4242=1, 3.1/4263=1...(5) HB2 LEU 58 - HG2 LYS 46 lone 7 81 - 9 - HB2 LEU 58 - HG3 LYS 46 lone 7 81 - 9 - HB3 GLU 28 - HG3 LYS 119 lone 5 92 - 5 - HB2 GLU 28 - HG3 LYS 119 lone 5 85 - 6 - HB VAL 50 - HG2 LYS 46 lone 5 90 - 5 - 2.1/8283=1 HB VAL 50 - HG3 LYS 46 lone 5 90 - 5 - 2.1/8283=1 HG3 PRO 68 - HG3 LYS 119 lone 4 92 - 4 - HB ILE 22 - HG2 LYS 46 lone 4 60 - 6 - 4.4/858=1 HB ILE 22 - HG3 LYS 46 lone 4 60 - 6 - 4.4/858=1 HB2 ARG 92 - HG3 LYS 119 lone 3 98 - 3 - HB2 ARG 92 - HG2 LYS 46 lone 3 86 - 4 - HB2 ARG 92 - HG3 LYS 46 lone 3 86 - 4 - HB2 ARG 81 - HG3 LYS 46 lone 2 63 - 3 - HB2 ARG 81 - HG2 LYS 46 lone 2 63 - 3 - HB3 GLU 73 - HG3 LYS 119 lone 1 68 - 2 - HB3 GLU 28 - HG2 LYS 46 lone 1 78 - 1 - HB3 GLU 28 - HG3 LYS 46 lone 1 78 - 1 - HB2 GLU 28 - HG2 LYS 46 lone 1 71 - 1 - HB2 GLU 28 - HG3 LYS 46 lone 1 71 - 1 - HB3 GLU 73 - HG2 LYS 46 lone 1 56 - 1 - HB3 GLU 73 - HG3 LYS 46 lone 1 56 - 1 - Peak 5233 from cnoeabs.peaks (1.94, 1.32, 24.55 ppm; 3.58 A): 3 out of 45 assignments used, quality = 1.00: * HB3 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 2.9=100 HB3 LYS 119 + HG3 LYS 46 OK 50 90 - 55 - 1.8/5205=7, 5215=6...(25) HB3 LYS 119 + HG2 LYS 46 OK 50 90 - 55 - 1.8/5205=7, 5215=6...(25) HB2 LYS 109 - HG2 LYS 46 OK 43 88 - 49 - 4895/2.9=6, 4896/2.9=4...(27) HB2 LYS 109 - HG3 LYS 46 OK 43 88 - 49 - 4895/2.9=6, 4896/2.9=4...(27) HB3 PRO 30 - HG3 LYS 119 OK 37 100 - 38 - 5203/2.9=4, 5215=4...(19) HG LEU 58 - HG3 LYS 119 OK 33 97 - 34 - 5203/2.9=4, 5193/4.0=3...(14) HB2 LYS 109 - HG3 LYS 119 OK 31 99 - 31 - 5203/2.9=4, 4894/1.8=3...(14) HG LEU 45 - HG2 LYS 46 OK 18 51 - 36 - 2.1/8283=5, ~8283=3...(23) HG LEU 45 - HG3 LYS 46 OK 18 51 - 36 - 2.1/8283=5, ~8283=3...(23) HB ILE 80 - HG3 LYS 119 OK 15 81 - 19 - ~8457=2, 6109/4.0=2...(6) HB2 LEU 21 - HG3 LYS 119 OK 14 89 - 15 - 3.1/6416=2, 3.0/6407=2...(6) HB3 MET 11 - HG2 LYS 46 poor 9 53 - 18 - 1852/2.9=2, 1.8/2933=2...(6) HB3 MET 11 - HG3 LYS 46 poor 9 53 - 18 - 1852/2.9=2, 1.8/2933=2...(6) HB2 LEU 21 - HG2 LYS 46 poor 9 75 - 12 - 3.1/6416=2, 3.0/6407=2...(5) HB2 LEU 21 - HG3 LYS 46 poor 9 75 - 12 - 3.1/6416=2, 3.0/6407=2...(5) HB ILE 80 - HG2 LYS 46 poor 8 67 - 12 - 4070/3.9=2, ~2970=1, ~2930=1 HB ILE 80 - HG3 LYS 46 poor 8 67 - 12 - 4070/3.9=2, ~2970=1, ~2930=1 HB3 PRO 30 - HG2 LYS 46 lone 8 89 - 9 - HB3 PRO 30 - HG3 LYS 46 lone 8 89 - 9 - HG LEU 58 - HG2 LYS 46 lone 7 84 - 8 - HG LEU 58 - HG3 LYS 46 lone 7 84 - 8 - HB2 ARG 85 - HG3 LYS 119 lone 6 100 - 6 - 4.0/414=1 HB3 ARG 85 - HG3 LYS 119 lone 6 100 - 6 - 4.0/414=1 HB2 GLU 38 - HG3 LYS 119 lone 6 100 - 6 - HG LEU 45 - HG3 LYS 119 lone 5 63 - 8 - 2.1/8283=1 HB2 ARG 85 - HG3 LYS 46 lone 4 89 - 4 - HB2 ARG 85 - HG2 LYS 46 lone 4 89 - 4 - HB3 ARG 85 - HG2 LYS 46 lone 4 89 - 4 - HB3 ARG 85 - HG3 LYS 46 lone 4 89 - 4 - HB2 GLU 64 - HG3 LYS 119 lone 4 99 - 4 - HB3 GLU 64 - HG3 LYS 119 lone 4 99 - 4 - HB3 GLU 69 - HG3 LYS 119 lone 3 100 - 3 - HB3 MET 11 - HG3 LYS 119 lone 3 65 - 4 - HB2 GLU 64 - HG2 LYS 46 lone 2 88 - 3 - 4.6/6857=1 HB2 GLU 64 - HG3 LYS 46 lone 2 88 - 3 - 4.6/6857=1 HB3 GLU 64 - HG3 LYS 46 lone 2 87 - 3 - 4.6/6857=1 HB3 GLU 64 - HG2 LYS 46 lone 2 87 - 3 - 4.6/6857=1 HB2 GLU 38 - HG3 LYS 46 lone 2 90 - 3 - HB2 GLU 38 - HG2 LYS 46 lone 2 90 - 3 - HB3 GLU 94 - HG3 LYS 119 lone 2 97 - 2 - HB3 GLU 94 - HG2 LYS 46 lone 2 85 - 2 - HB3 GLU 94 - HG3 LYS 46 lone 2 85 - 2 - HB3 GLU 69 - HG3 LYS 46 lone 1 90 - 2 - HB3 GLU 69 - HG2 LYS 46 lone 1 90 - 2 - Peak 5234 from cnoeabs.peaks (1.46, 1.32, 24.55 ppm; 2.60 A): 3 out of 48 assignments used, quality = 1.00: * HG2 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 1.8=100 HD2 LYS 46 + HG2 LYS 46 OK 71 90 - 79 - 2.9=69, 3.0/2994=5...(15) HD2 LYS 46 + HG3 LYS 46 OK 71 90 - 79 - 2.9=69, 3.0/2994=5...(15) HG2 LYS 119 - HG2 LYS 46 OK 34 90 - 37 - 5225=6, 5225/1.8=4...(13) HG2 LYS 119 - HG3 LYS 46 OK 34 90 - 37 - 5225=6, 5225/1.8=4...(13) HG3 LYS 31 - HG3 LYS 119 OK 26 100 - 26 - 5225=5, 5204/2.9=2...(7) HD2 LYS 46 - HG3 LYS 119 OK 25 100 - 25 - 2974=3, 1.8/2984=2...(9) HB3 LEU 45 - HG2 LYS 46 OK 23 85 - 27 - 4.3/976=2, 2893/2.9=2...(10) HB3 LEU 45 - HG3 LYS 46 OK 23 85 - 27 - 4.3/975=2, 2893/2.9=2...(10) HD3 LYS 65 - HG2 LYS 46 OK 21 75 - 28 - 2985/2.9=2, 2995/3.9=1...(6) HD2 LYS 65 - HG3 LYS 46 OK 21 75 - 28 - 2985/2.9=2, 2995/3.9=1...(6) HD3 LYS 65 - HG3 LYS 46 OK 21 75 - 28 - 2985/2.9=2, 2995/3.9=1...(6) HD2 LYS 65 - HG2 LYS 46 OK 21 75 - 28 - 2985/2.9=2, 2995/3.9=1...(6) HG2 LYS 109 - HG2 LYS 46 OK 18 69 - 26 - 4915/2.9=2, 4916/2.9=1...(4) HG2 LYS 109 - HG3 LYS 46 OK 18 69 - 26 - 4915/2.9=2, 4916/2.9=1...(4) HG3 ARG 57 - HG3 LYS 119 OK 15 99 - 15 - 3327/3.0=1, 3327/3.0=1...(4) HG LEU 24 - HG3 LYS 46 OK 13 85 - 16 - 2.1/8206=1, 2217/2.9=1...(5) HG LEU 24 - HG2 LYS 46 OK 13 85 - 16 - 2.1/8206=1, 2217/2.9=1...(5) HG2 LYS 109 - HG3 LYS 119 OK 12 83 - 14 - 5204/2.9=1 HB3 LEU 58 - HG3 LYS 119 OK 11 65 - 17 - 5204/2.9=1 QB ALA 14 - HG2 LYS 46 OK 10 89 - 12 - 6306/1.8=2, 6306=2, 2.1/6295=1 QB ALA 14 - HG3 LYS 46 OK 10 89 - 12 - 6306/1.8=2, 6306=2, 2.1/6295=1 HB2 LEU 93 - HG3 LYS 119 lone 6 100 - 6 - HB3 LEU 101 - HG3 LYS 119 lone 6 81 - 8 - HG LEU 24 - HG3 LYS 119 lone 6 97 - 6 - HB3 LEU 101 - HG3 LYS 46 lone 6 67 - 9 - HB3 LEU 101 - HG2 LYS 46 lone 6 67 - 9 - QB ALA 14 - HG3 LYS 119 lone 6 100 - 6 - 6306=1 HG3 LYS 31 - HG2 LYS 46 lone 6 90 - 6 - HG3 LYS 31 - HG3 LYS 46 lone 6 90 - 6 - HB3 LEU 45 - HG3 LYS 119 lone 5 97 - 5 - HB3 GLU 75 - HG2 LYS 46 lone 4 85 - 5 - HB3 GLU 75 - HG3 LYS 46 lone 4 85 - 5 - HG3 ARG 57 - HG3 LYS 46 lone 3 88 - 3 - HG3 ARG 57 - HG2 LYS 46 lone 3 88 - 3 - HG LEU 91 - HG3 LYS 119 lone 3 60 - 4 - QB ALA 89 - HG3 LYS 119 lone 2 83 - 3 - HB2 LEU 93 - HG3 LYS 46 lone 2 89 - 3 - HB2 LEU 93 - HG2 LYS 46 lone 2 89 - 3 - HB3 LEU 58 - HG3 LYS 46 lone 2 53 - 4 - HB3 LEU 58 - HG2 LYS 46 lone 2 53 - 4 - HB3 GLU 75 - HG3 LYS 119 lone 2 97 - 2 - HD3 LYS 65 - HG3 LYS 119 lone 2 89 - 2 - HD2 LYS 65 - HG3 LYS 119 lone 2 89 - 2 - QB ALA 89 - HG2 LYS 46 lone 2 69 - 2 - QB ALA 89 - HG3 LYS 46 lone 2 69 - 2 - HG LEU 91 - HG3 LYS 46 lone 1 49 - 2 - HG LEU 91 - HG2 LYS 46 lone 1 49 - 2 - Peak 5235 from cnoeabs.peaks (1.32, 1.32, 24.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 119 + HG3 LYS 119 OK 100 100 - 100 HG3 LYS 46 + HG3 LYS 46 OK 86 86 - 100 HG2 LYS 46 + HG2 LYS 46 OK 86 86 - 100 Peak 5236 from cnoeabs.peaks (1.60, 1.32, 24.55 ppm; 3.31 A): 2 out of 51 assignments used, quality = 1.00: * HD2 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.0=100 HD3 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.0=100 HD2 LYS 119 - HG2 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD2 LYS 119 - HG3 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD3 LYS 119 - HG3 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD3 LYS 119 - HG2 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD3 LYS 31 - HG3 LYS 119 OK 28 71 - 40 - 3.0/5225=3, 2450/1.8=2...(20) HD2 LYS 31 - HG3 LYS 119 OK 28 71 - 40 - 3.0/5225=3, 2450/1.8=2...(20) HG2 PRO 30 - HG3 LYS 119 OK 23 89 - 26 - 2.3/5215=2, 2383/2.9=2...(14) HD2 LYS 32 - HG3 LYS 119 OK 21 93 - 22 - 5255=2, 1.8/5255=1...(5) HD3 LYS 32 - HG3 LYS 119 OK 21 93 - 22 - 5255=2, 1.8/5255=1...(5) HG2 ARG 57 - HG3 LYS 119 OK 18 90 - 20 - 3320/1.8=2, 3315/4.9=1...(10) HB2 LEU 59 - HG3 LYS 119 OK 14 63 - 23 - 3.7/5918=2, ~7080=2...(11) HG LEU 101 - HG2 LYS 46 OK 11 63 - 18 - 6860/3.9=4, ~6868=2...(8) HG LEU 101 - HG3 LYS 46 OK 11 63 - 18 - 6860/3.9=4, ~6868=2...(8) HG3 ARG 81 - HG3 LYS 119 poor 10 90 - 11 - 4.0/6136=2 HG2 ARG 81 - HG3 LYS 119 poor 10 90 - 11 - 4.0/6136=2 HG LEU 101 - HG3 LYS 119 poor 10 76 - 13 - ~8031=2, ~8034=1, ~7715=1 HG2 ARG 53 - HG2 LYS 46 poor 9 80 - 11 - 6860/3.9=2 HG2 ARG 53 - HG3 LYS 46 poor 9 80 - 11 - 6860/3.9=2 HB2 LEU 59 - HG3 LYS 46 poor 7 51 - 14 - 3399/1.8=1, 3.0/3413=1, 3399=1 HB2 LEU 59 - HG2 LYS 46 poor 7 51 - 14 - 3399/1.8=1, 3.0/3413=1, 3399=1 HG2 PRO 30 - HG3 LYS 46 lone 5 75 - 6 - HG2 PRO 30 - HG2 LYS 46 lone 5 75 - 6 - HG12 ILE 63 - HG3 LYS 119 lone 5 99 - 5 - HB2 LEU 126 - HG3 LYS 119 lone 4 99 - 4 - HB3 LEU 126 - HG3 LYS 119 lone 4 99 - 4 - HD2 LYS 31 - HG2 LYS 46 lone 4 58 - 7 - HD3 LYS 31 - HG3 LYS 46 lone 4 58 - 7 - HD3 LYS 31 - HG2 LYS 46 lone 4 58 - 7 - HD2 LYS 31 - HG3 LYS 46 lone 4 58 - 7 - HG2 ARG 57 - HG2 LYS 46 lone 4 77 - 5 - HG2 ARG 57 - HG3 LYS 46 lone 4 77 - 5 - HG LEU 126 - HG3 LYS 119 lone 4 100 - 4 - HG2 ARG 53 - HG3 LYS 119 lone 2 93 - 2 - HD2 LYS 32 - HG3 LYS 46 lone 2 80 - 2 - HD2 LYS 32 - HG2 LYS 46 lone 2 80 - 2 - HD3 LYS 32 - HG3 LYS 46 lone 2 80 - 2 - HD3 LYS 32 - HG2 LYS 46 lone 2 80 - 2 - HG12 ILE 63 - HG3 LYS 46 lone 2 88 - 2 - HG12 ILE 63 - HG2 LYS 46 lone 2 88 - 2 - HG2 ARG 81 - HG2 LYS 46 lone 2 77 - 2 - HG3 ARG 81 - HG3 LYS 46 lone 2 77 - 2 - HG3 ARG 81 - HG2 LYS 46 lone 2 77 - 2 - HG2 ARG 81 - HG3 LYS 46 lone 2 77 - 2 - HG LEU 126 - HG2 LYS 46 lone 1 90 - 1 - HG LEU 126 - HG3 LYS 46 lone 1 90 - 1 - HB2 LEU 126 - HG3 LYS 46 lone 1 88 - 1 - HB2 LEU 126 - HG2 LYS 46 lone 1 88 - 1 - HB3 LEU 126 - HG2 LYS 46 lone 1 88 - 1 - HB3 LEU 126 - HG3 LYS 46 lone 1 88 - 1 - Peak 5237 from cnoeabs.peaks (1.60, 1.32, 24.55 ppm; 3.31 A): 2 out of 51 assignments used, quality = 1.00: * HD3 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.0=100 HD2 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.0=100 HD3 LYS 119 - HG2 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD3 LYS 119 - HG3 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD2 LYS 119 - HG2 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD2 LYS 119 - HG3 LYS 46 OK 41 90 - 45 - 3.0/5225=4, 5245=4...(19) HD3 LYS 31 - HG3 LYS 119 OK 29 73 - 40 - 3.0/5225=3, 2460/1.8=2...(20) HD2 LYS 31 - HG3 LYS 119 OK 29 73 - 40 - 3.0/5225=3, 2460/1.8=2...(20) HG2 PRO 30 - HG3 LYS 119 OK 23 90 - 26 - 2.3/5215=2, 2383/2.9=2...(14) HD3 LYS 32 - HG3 LYS 119 OK 21 95 - 22 - 5255=2, 1.8/5255=1...(5) HD2 LYS 32 - HG3 LYS 119 OK 21 95 - 22 - 5255=2, 1.8/5255=1...(5) HG2 ARG 57 - HG3 LYS 119 OK 18 89 - 20 - 3320/1.8=2, 3315/4.9=1...(10) HB2 LEU 59 - HG3 LYS 119 OK 15 65 - 23 - 3.7/5918=2, ~7080=2...(11) HG LEU 101 - HG2 LYS 46 OK 12 65 - 18 - 6860/3.9=4, ~6868=2...(8) HG LEU 101 - HG3 LYS 46 OK 12 65 - 18 - 6860/3.9=4, ~6868=2...(8) HG LEU 101 - HG3 LYS 119 poor 10 78 - 13 - ~8031=2, ~8034=1, ~7715=1 HG2 ARG 81 - HG3 LYS 119 poor 10 89 - 11 - 4.0/6136=2 HG3 ARG 81 - HG3 LYS 119 poor 10 89 - 11 - 4.0/6136=2 HG2 ARG 53 - HG2 LYS 46 poor 9 81 - 11 - 6860/3.9=2 HG2 ARG 53 - HG3 LYS 46 poor 9 81 - 11 - 6860/3.9=2 HB2 LEU 59 - HG3 LYS 46 poor 8 53 - 14 - 3399/1.8=1, 3.0/3413=1, 3399=1 HB2 LEU 59 - HG2 LYS 46 poor 8 53 - 14 - 3399/1.8=1, 3.0/3413=1, 3399=1 HG2 PRO 30 - HG3 LYS 46 lone 5 77 - 6 - HG2 PRO 30 - HG2 LYS 46 lone 5 77 - 6 - HG12 ILE 63 - HG3 LYS 119 lone 5 100 - 5 - HD2 LYS 31 - HG2 LYS 46 lone 4 60 - 7 - HD3 LYS 31 - HG2 LYS 46 lone 4 60 - 7 - HD3 LYS 31 - HG3 LYS 46 lone 4 60 - 7 - HD2 LYS 31 - HG3 LYS 46 lone 4 60 - 7 - HB2 LEU 126 - HG3 LYS 119 lone 4 100 - 4 - HB3 LEU 126 - HG3 LYS 119 lone 4 99 - 4 - HG2 ARG 57 - HG2 LYS 46 lone 4 75 - 5 - HG2 ARG 57 - HG3 LYS 46 lone 4 75 - 5 - HG LEU 126 - HG3 LYS 119 lone 4 100 - 4 - HG2 ARG 53 - HG3 LYS 119 lone 2 95 - 2 - HD2 LYS 32 - HG3 LYS 46 lone 2 81 - 2 - HD2 LYS 32 - HG2 LYS 46 lone 2 81 - 2 - HD3 LYS 32 - HG3 LYS 46 lone 2 81 - 2 - HD3 LYS 32 - HG2 LYS 46 lone 2 81 - 2 - HG12 ILE 63 - HG3 LYS 46 lone 2 89 - 2 - HG12 ILE 63 - HG2 LYS 46 lone 2 89 - 2 - HG2 ARG 81 - HG2 LYS 46 lone 2 75 - 2 - HG3 ARG 81 - HG3 LYS 46 lone 2 75 - 2 - HG3 ARG 81 - HG2 LYS 46 lone 2 75 - 2 - HG2 ARG 81 - HG3 LYS 46 lone 2 75 - 2 - HG LEU 126 - HG2 LYS 46 lone 1 90 - 1 - HG LEU 126 - HG3 LYS 46 lone 1 90 - 1 - HB2 LEU 126 - HG3 LYS 46 lone 1 89 - 1 - HB2 LEU 126 - HG2 LYS 46 lone 1 89 - 1 - HB3 LEU 126 - HG2 LYS 46 lone 1 88 - 1 - HB3 LEU 126 - HG3 LYS 46 lone 1 88 - 1 - Peak 5238 from cnoeabs.peaks (2.86, 1.32, 24.55 ppm; 3.97 A): 2 out of 30 assignments used, quality = 1.00: * HE2 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.9=100 HE3 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.9=100 HE2 LYS 119 - HG3 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5265=4...(19) HE2 LYS 119 - HG2 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5265=4...(19) HE3 LYS 119 - HG3 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5275=4...(19) HE3 LYS 119 - HG2 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5275=4...(19) HB3 ASN 12 - HG3 LYS 119 OK 12 81 - 15 - 5208/2.9=2, 3.5/5230=2...(7) HB2 ASP 36 - HG3 LYS 46 lone 6 65 - 9 - 2645/3.9=2, ~2978=1 HB2 ASP 36 - HG2 LYS 46 lone 6 65 - 9 - 2645/3.9=2, ~2978=1 HB3 TYR 67 - HG2 LYS 46 lone 5 60 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB3 TYR 67 - HG3 LYS 46 lone 5 60 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB2 TYR 67 - HG2 LYS 46 lone 5 60 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB2 TYR 67 - HG3 LYS 46 lone 5 60 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB3 TYR 67 - HG3 LYS 119 lone 4 73 - 6 - HB2 TYR 67 - HG3 LYS 119 lone 4 73 - 6 - HG CYS 52 - HG3 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HG3 LYS 119 lone 3 83 - 3 - HB3 PHE 107 - HG2 LYS 46 lone 3 71 - 4 - HB3 PHE 107 - HG3 LYS 46 lone 3 71 - 4 - HB3 PHE 107 - HG3 LYS 119 lone 2 85 - 3 - HB2 ASP 36 - HG3 LYS 119 lone 2 78 - 2 - HB2 ASN 99 - HG3 LYS 119 lone 1 78 - 2 - HB2 ASN 79 - HG2 LYS 46 lone 1 69 - 2 - HB2 ASN 79 - HG3 LYS 46 lone 1 69 - 2 - HB3 ASN 12 - HG3 LYS 46 lone 1 67 - 2 - HB3 ASN 12 - HG2 LYS 46 lone 1 67 - 2 - HB2 ASN 99 - HG3 LYS 46 lone 1 65 - 2 - HB2 ASN 99 - HG2 LYS 46 lone 1 65 - 2 - HG CYS 52 - HG3 LYS 46 lone 1 84 - 1 - HG CYS 52 - HG2 LYS 46 lone 1 84 - 1 - Peak 5239 from cnoeabs.peaks (2.86, 1.32, 24.55 ppm; 3.97 A): 2 out of 30 assignments used, quality = 1.00: * HE3 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.9=100 HE2 LYS 119 + HG3 LYS 119 OK 100 100 - 100 - 3.9=100 HE3 LYS 119 - HG3 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5275=4...(19) HE3 LYS 119 - HG2 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5275=4...(19) HE2 LYS 119 - HG2 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5265=4...(19) HE2 LYS 119 - HG3 LYS 46 OK 35 90 - 39 - 3.9/5225=4, 5265=4...(19) HB3 ASN 12 - HG3 LYS 119 OK 11 78 - 14 - 5208/2.9=2, 3.5/5230=2...(7) HB2 ASP 36 - HG3 LYS 46 lone 6 67 - 9 - 2645/3.9=2, ~2978=1 HB2 ASP 36 - HG2 LYS 46 lone 6 67 - 9 - 2645/3.9=2, ~2978=1 HB3 TYR 67 - HG2 LYS 46 lone 6 63 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB3 TYR 67 - HG3 LYS 46 lone 6 63 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB2 TYR 67 - HG2 LYS 46 lone 6 63 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB2 TYR 67 - HG3 LYS 46 lone 6 63 - 9 - ~8584=1, 2.6/6857=1, ~6857=1 HB3 TYR 67 - HG3 LYS 119 lone 4 76 - 6 - HB2 TYR 67 - HG3 LYS 119 lone 4 76 - 6 - HG CYS 52 - HG3 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HG3 LYS 119 lone 3 85 - 3 - HB3 PHE 107 - HG2 LYS 46 lone 3 73 - 4 - HB3 PHE 107 - HG3 LYS 46 lone 3 73 - 4 - HB3 PHE 107 - HG3 LYS 119 lone 2 87 - 3 - HB2 ASP 36 - HG3 LYS 119 lone 2 81 - 2 - HB2 ASN 99 - HG3 LYS 119 lone 1 81 - 2 - HB2 ASN 79 - HG2 LYS 46 lone 1 71 - 2 - HB2 ASN 79 - HG3 LYS 46 lone 1 71 - 2 - HB2 ASN 99 - HG3 LYS 46 lone 1 67 - 2 - HB2 ASN 99 - HG2 LYS 46 lone 1 67 - 2 - HB3 ASN 12 - HG3 LYS 46 lone 1 65 - 2 - HB3 ASN 12 - HG2 LYS 46 lone 1 65 - 2 - HG CYS 52 - HG3 LYS 46 lone 1 85 - 1 - HG CYS 52 - HG2 LYS 46 lone 1 85 - 1 - Peak 5240 from cnoeabs.peaks (7.60, 1.60, 28.93 ppm; 4.59 A): 4 out of 24 assignments used, quality = 1.00: * H LYS 119 + HD2 LYS 119 OK 89 100 - 90 - 6.0=45, 5200/3.7=19...(22) H LYS 119 + HD3 LYS 119 OK 89 100 - 90 - 6.0=45, 5200/3.7=19...(22) H ARG 57 + HD2 LYS 119 OK 52 100 - 52 - 5200/3.7=8, 5220/3.0=7...(20) H ARG 57 + HD3 LYS 119 OK 52 100 - 52 - 5200/3.7=8, 5220/3.0=7...(20) HD21 ASN 12 - HD2 LYS 119 OK 20 83 - 24 - 5200/3.7=3, 5220/3.0=3...(8) HD21 ASN 12 - HD3 LYS 119 OK 20 83 - 24 - 5200/3.7=3, 5220/3.0=3...(8) H LYS 119 - HD3 LYS 32 OK 17 93 - 18 - 3.0/5197=2, 1388=2...(8) H LYS 119 - HD2 LYS 32 OK 17 93 - 18 - 3.0/5197=2, 1388=2...(8) H GLU 56 - HD2 LYS 119 OK 16 71 - 23 - 5200/3.7=3, 4.6/1041=3...(10) H GLU 56 - HD3 LYS 119 OK 16 71 - 23 - 5200/3.7=3, 4.6/1041=3...(9) H SER 113 - HD2 LYS 119 OK 14 87 - 16 - 5200/3.7=2, 5220/3.0=2...(8) H SER 113 - HD3 LYS 119 OK 14 87 - 16 - 5200/3.7=2, 5220/3.0=2...(8) H CYS 52 - HD2 LYS 119 OK 12 71 - 17 - 6946/3.0=2, 6946/3.0=2...(9) H CYS 52 - HD3 LYS 119 OK 12 71 - 17 - 6946/3.0=2, 6946/3.0=2...(9) H SER 113 - HD3 LYS 32 OK 11 76 - 14 - ~2516=2, ~2526=2...(6) H SER 113 - HD2 LYS 32 OK 11 76 - 14 - ~2516=2, ~2526=2...(6) H ARG 57 - HD2 LYS 32 lone 6 93 - 6 - H ARG 57 - HD3 LYS 32 lone 6 93 - 6 - H GLU 56 - HD3 LYS 32 lone 4 61 - 7 - H GLU 56 - HD2 LYS 32 lone 4 61 - 7 - H CYS 52 - HD2 LYS 32 lone 3 61 - 4 - H CYS 52 - HD3 LYS 32 lone 3 61 - 4 - HD21 ASN 12 - HD2 LYS 32 lone 1 72 - 2 - HD21 ASN 12 - HD3 LYS 32 lone 1 72 - 2 - Peak 5241 from cnoeabs.peaks (3.83, 1.60, 28.93 ppm; 3.72 A): 4 out of 56 assignments used, quality = 0.99: * HA LYS 119 + HD2 LYS 119 OK 81 100 - 81 - 5.3=34, 5195/3.0=11...(29) HA LYS 119 + HD3 LYS 119 OK 81 100 - 81 - 5.3=34, 5195/3.0=11...(29) HA THR 116 + HD2 LYS 119 OK 47 100 - 48 - 6252/3.7=6, 3.2/7993=5...(19) HA THR 116 + HD3 LYS 119 OK 47 100 - 48 - 6252/3.7=6, 3.2/7993=5...(19) HA THR 33 - HD2 LYS 32 OK 25 54 - 46 - 2.9/135=6, ~130=5...(20) HA THR 33 - HD3 LYS 32 OK 25 54 - 46 - 2.9/135=6, ~130=5...(20) HA LEU 77 - HD3 LYS 32 OK 21 92 - 23 - 3994/2.9=4, 3994/2.9=3...(13) HA LEU 77 - HD2 LYS 32 OK 21 92 - 23 - 3994/2.9=4, 3994/2.9=3...(13) HA LYS 119 - HD2 LYS 32 OK 19 93 - 21 - 5197=2, 5197/1.8=2...(5) HA LYS 119 - HD3 LYS 32 OK 19 93 - 21 - 5197=2, 5197/1.8=2...(5) HB3 SER 29 - HD2 LYS 32 OK 19 72 - 27 - ~6572=4, 3.0/8243=3...(14) HB3 SER 29 - HD3 LYS 32 OK 19 72 - 27 - ~6572=4, 3.0/8243=3...(14) HB2 SER 29 - HD3 LYS 32 OK 19 70 - 27 - ~6572=4, 3.0/8243=3...(14) HB2 SER 29 - HD2 LYS 32 OK 19 70 - 27 - ~6572=4, 3.0/8243=3...(14) HA THR 19 - HD2 LYS 119 OK 16 97 - 16 - 5201/3.7=2, 6253/3.7=2...(9) HA THR 19 - HD3 LYS 119 OK 16 97 - 16 - 5201/3.7=2, 6253/3.7=2...(9) HB THR 33 - HD2 LYS 32 OK 15 51 - 29 - 6617/5.0=6, 4.0/135=4...(13) HB THR 33 - HD3 LYS 32 OK 15 51 - 29 - 6617/5.0=6, 4.0/135=4...(13) HA THR 116 - HD2 LYS 32 OK 14 93 - 15 - 3.2/7993=2, 7983=1...(5) HA THR 116 - HD3 LYS 32 OK 14 93 - 15 - 3.2/7993=2, 7983=1...(5) HB3 SER 29 - HD3 LYS 119 OK 10 83 - 12 - 6252/3.7=1 HB3 SER 29 - HD2 LYS 119 OK 10 83 - 12 - 6252/3.7=1 HB2 SER 29 - HD3 LYS 119 poor 10 81 - 12 - 6252/3.7=1 HB2 SER 29 - HD2 LYS 119 poor 10 81 - 12 - 6252/3.7=1 HA LEU 77 - HD2 LYS 119 lone 9 100 - 9 - 6108/3.7=1, 5201/3.7=1 HA LEU 77 - HD3 LYS 119 lone 9 100 - 9 - 6108/3.7=1, 5201/3.7=1 HA THR 19 - HD2 LYS 32 lone 8 88 - 9 - HA THR 19 - HD3 LYS 32 lone 8 88 - 9 - HA GLU 15 - HD2 LYS 32 lone 6 78 - 8 - 6319/2.9=2, 8188/3.5=2 HA GLU 15 - HD3 LYS 32 lone 6 78 - 8 - 6319/2.9=2, 8188/3.5=2 HA GLU 15 - HD3 LYS 119 lone 6 89 - 7 - 8187/3.0=2 HA GLU 15 - HD2 LYS 119 lone 6 89 - 7 - 8187/3.0=2 HA3 GLY 88 - HD2 LYS 119 lone 6 85 - 7 - HA3 GLY 88 - HD3 LYS 119 lone 6 85 - 7 - HA2 GLY 88 - HD2 LYS 119 lone 5 76 - 7 - HA2 GLY 88 - HD3 LYS 119 lone 5 76 - 7 - HA3 GLY 39 - HD2 LYS 32 lone 3 59 - 5 - HA3 GLY 39 - HD3 LYS 32 lone 3 59 - 5 - HA THR 33 - HD2 LYS 119 lone 3 63 - 4 - HA THR 33 - HD3 LYS 119 lone 3 63 - 4 - HB THR 33 - HD3 LYS 119 lone 2 60 - 3 - HB THR 33 - HD2 LYS 119 lone 2 60 - 3 - HA3 GLY 104 - HD2 LYS 32 lone 2 66 - 3 - HA3 GLY 104 - HD3 LYS 32 lone 2 66 - 3 - HA3 GLY 39 - HD2 LYS 119 lone 2 68 - 2 - HA3 GLY 39 - HD3 LYS 119 lone 2 68 - 2 - HB2 SER 35 - HD2 LYS 119 lone 1 73 - 2 - HB2 SER 35 - HD3 LYS 119 lone 1 73 - 2 - HA3 GLY 104 - HD3 LYS 119 lone 1 76 - 1 - HA3 GLY 104 - HD2 LYS 119 lone 1 76 - 1 - HB2 SER 35 - HD2 LYS 32 lone 1 63 - 1 - HB2 SER 35 - HD3 LYS 32 lone 1 63 - 1 - HA3 GLY 88 - HD3 LYS 32 lone 1 74 - 1 - HA3 GLY 88 - HD2 LYS 32 lone 1 74 - 1 - HA2 GLY 88 - HD3 LYS 32 lone 1 66 - 1 - HA2 GLY 88 - HD2 LYS 32 lone 1 66 - 1 - Peak 5242 from cnoeabs.peaks (1.88, 1.60, 28.93 ppm; 3.76 A): 4 out of 60 assignments used, quality = 1.00: * HB2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.7=100 HB2 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.7=100 HB3 LYS 31 + HD2 LYS 119 OK 45 100 - 46 - 2420/3.0=4, 2421/1.8=3...(27) HB3 LYS 31 + HD3 LYS 119 OK 45 100 - 46 - 2420/3.0=4, 2421/1.8=3...(27) HB2 LYS 119 - HD3 LYS 32 OK 27 93 - 29 - 8457/2.9=3, 5207=3...(9) HB2 LYS 119 - HD2 LYS 32 OK 27 93 - 29 - 8457/2.9=3, 5207=3...(9) HB2 LEU 58 - HD2 LYS 119 OK 26 95 - 28 - 5212/3.7=2, 3.9/267=2...(13) HB2 LEU 58 - HD3 LYS 119 OK 26 94 - 28 - 5212/3.7=2, 3.9/267=2...(13) HB3 LYS 31 - HD2 LYS 32 OK 24 93 - 26 - 5519/5.9=6, 2421/1.8=2...(8) HB3 LYS 31 - HD3 LYS 32 OK 24 93 - 26 - 5519/5.9=6, 2422/1.8=2...(8) HG LEU 84 - HD2 LYS 119 OK 22 100 - 22 - 4256/3.0=3, 2.1/8517=3...(8) HG LEU 84 - HD3 LYS 119 OK 22 100 - 22 - 4256/3.0=3, 2.1/8517=3...(8) HB2 LEU 84 - HD2 LYS 119 OK 19 87 - 21 - 4242/3.0=2, 3.1/8517=2...(10) HB2 LEU 84 - HD3 LYS 119 OK 19 87 - 21 - 4242/3.0=2, 3.1/8517=2...(10) HB3 LYS 109 - HD2 LYS 119 OK 18 85 - 21 - 4902/3.7=2, 4904/3.0=2...(7) HB3 LYS 109 - HD3 LYS 119 OK 18 85 - 21 - 4902/3.7=2, 4904/3.0=2...(7) HB2 ARG 81 - HD2 LYS 119 OK 13 76 - 17 - ~6136=2, 3.0/4109=1, 4116=1 HB2 ARG 81 - HD3 LYS 119 OK 13 76 - 17 - ~6136=2, 3.0/4109=1, 4116=1 HG LEU 55 - HD3 LYS 119 OK 11 100 - 11 - 8298/3.0=1, 1383/6.0=1 HG LEU 55 - HD2 LYS 119 OK 11 100 - 11 - 8298/3.0=1, 1383/6.0=1 HB3 LYS 109 - HD2 LYS 32 poor 10 74 - 13 - 7840/3.0=2, 7840/3.0=2, ~7839=1 HB3 LYS 109 - HD3 LYS 32 poor 10 74 - 13 - 7840/3.0=2, 7840/3.0=2, ~7839=1 HB ILE 22 - HD2 LYS 119 poor 8 73 - 11 - ~6436=2, 5982/5.3=1 HB ILE 22 - HD3 LYS 119 poor 8 73 - 11 - ~6436=2, 5982/5.3=1 HB VAL 50 - HD3 LYS 119 lone 7 100 - 7 - ~8283=1 HB VAL 50 - HD2 LYS 119 lone 7 100 - 7 - ~8283=1 HG LEU 84 - HD2 LYS 32 lone 5 93 - 6 - 8359/2.9=1 HG LEU 84 - HD3 LYS 32 lone 5 93 - 6 - 8359/2.9=1 HG LEU 55 - HD2 LYS 32 lone 4 93 - 4 - 121/5.9=1 HG LEU 55 - HD3 LYS 32 lone 4 93 - 4 - 121/5.9=1 HB2 LEU 58 - HD3 LYS 32 lone 3 85 - 4 - HB2 LEU 58 - HD2 LYS 32 lone 3 85 - 4 - HB3 GLU 28 - HD3 LYS 119 lone 3 92 - 3 - HB3 GLU 28 - HD2 LYS 119 lone 3 92 - 3 - HB2 LEU 84 - HD2 LYS 32 lone 3 76 - 4 - HB2 LEU 84 - HD3 LYS 32 lone 3 76 - 4 - HB ILE 22 - HD3 LYS 32 lone 3 63 - 5 - ~6443=1 HB ILE 22 - HD2 LYS 32 lone 3 63 - 5 - ~6443=1 HB2 GLU 28 - HD3 LYS 119 lone 3 85 - 3 - HB2 GLU 28 - HD2 LYS 119 lone 3 85 - 3 - HB2 ARG 92 - HD2 LYS 119 lone 3 98 - 3 - HB2 ARG 92 - HD3 LYS 119 lone 3 98 - 3 - HG3 PRO 68 - HD3 LYS 119 lone 2 92 - 3 - HG3 PRO 68 - HD2 LYS 119 lone 2 92 - 2 - HB2 ARG 92 - HD3 LYS 32 lone 2 89 - 2 - HB2 ARG 92 - HD2 LYS 32 lone 2 89 - 2 - HB VAL 50 - HD2 LYS 32 lone 1 93 - 1 - HB VAL 50 - HD3 LYS 32 lone 1 93 - 1 - HB3 GLU 28 - HD3 LYS 32 lone 1 82 - 2 - HB3 GLU 28 - HD2 LYS 32 lone 1 82 - 2 - HB3 GLU 73 - HD2 LYS 119 lone 1 68 - 2 - HB3 GLU 73 - HD3 LYS 119 lone 1 68 - 2 - HB2 GLU 28 - HD2 LYS 32 lone 1 74 - 1 - HB2 GLU 28 - HD3 LYS 32 lone 1 74 - 1 - HB2 ARG 81 - HD2 LYS 32 lone 1 66 - 1 - HB2 ARG 81 - HD3 LYS 32 lone 1 66 - 1 - HG3 PRO 68 - HD3 LYS 32 lone 1 82 - 1 - HG3 PRO 68 - HD2 LYS 32 lone 1 82 - 1 - HB3 GLU 73 - HD3 LYS 32 lone 1 59 - 1 - HB3 GLU 73 - HD2 LYS 32 lone 1 59 - 1 - Peak 5243 from cnoeabs.peaks (1.94, 1.60, 28.93 ppm; 3.94 A): 4 out of 60 assignments used, quality = 1.00: * HB3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.7=100 HB3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.7=100 HB3 PRO 30 + HD3 LYS 32 OK 54 93 - 59 - 6610/5.9=6, ~6605=5...(37) HB3 PRO 30 + HD2 LYS 32 OK 54 93 - 59 - 6610/5.9=6, ~6605=5...(37) HB3 PRO 30 - HD3 LYS 119 OK 35 100 - 35 - 5203/3.7=4, 5215/3.0=3...(17) HB3 PRO 30 - HD2 LYS 119 OK 34 100 - 35 - 5203/3.7=4, 5215/3.0=3...(16) HG LEU 58 - HD2 LYS 119 OK 29 97 - 31 - 5203/3.7=4, 5223/3.0=2...(12) HG LEU 58 - HD3 LYS 119 OK 29 97 - 31 - 5203/3.7=4, 5223/3.0=2...(12) HB3 LYS 119 - HD3 LYS 32 OK 29 93 - 31 - ~8457=2, 1.8/5207=2...(13) HB3 LYS 119 - HD2 LYS 32 OK 29 93 - 31 - ~8457=2, 1.8/5207=2...(13) HB2 LYS 109 - HD2 LYS 119 OK 25 99 - 25 - 5203/3.7=4, 4894/3.0=3...(8) HB2 LYS 109 - HD3 LYS 119 OK 25 99 - 25 - 5203/3.7=4, 4894/3.0=3...(8) HB ILE 80 - HD2 LYS 119 OK 17 81 - 21 - 3.2/7417=2, 6109/5.3=2...(10) HB ILE 80 - HD3 LYS 119 OK 17 81 - 21 - 3.2/7417=2, 6109/5.3=2...(10) HB2 LYS 109 - HD2 LYS 32 OK 14 92 - 15 - 7839/3.0=2, 7839/3.0=2...(4) HB2 LYS 109 - HD3 LYS 32 OK 14 92 - 15 - 7839/3.0=2, 7839/3.0=2...(4) HB ILE 80 - HD3 LYS 32 OK 12 70 - 17 - 3.2/7417=2, ~7417=1...(8) HB ILE 80 - HD2 LYS 32 OK 12 70 - 17 - 3.2/7417=2, ~7417=1...(8) HB2 LEU 21 - HD2 LYS 119 OK 10 89 - 11 - 1.8/8036=1, 5203/3.7=1 HB2 LEU 21 - HD3 LYS 119 OK 10 89 - 11 - 1.8/8036=1, 5203/3.7=1 HB2 GLU 38 - HD3 LYS 119 lone 5 100 - 5 - HB2 GLU 38 - HD2 LYS 119 lone 5 100 - 5 - HB3 ARG 85 - HD3 LYS 119 lone 4 100 - 4 - HB2 ARG 85 - HD3 LYS 119 lone 4 100 - 4 - HB3 ARG 85 - HD2 LYS 119 lone 4 100 - 4 - HB2 ARG 85 - HD2 LYS 119 lone 4 100 - 4 - HG LEU 58 - HD2 LYS 32 lone 4 87 - 4 - HG LEU 58 - HD3 LYS 32 lone 4 87 - 4 - HG LEU 45 - HD2 LYS 119 lone 4 63 - 6 - HG LEU 45 - HD3 LYS 119 lone 4 63 - 6 - HB2 GLU 64 - HD2 LYS 119 lone 4 99 - 4 - HB2 GLU 64 - HD3 LYS 119 lone 4 99 - 4 - HB3 GLU 64 - HD2 LYS 119 lone 4 99 - 4 - HB3 GLU 64 - HD3 LYS 119 lone 4 99 - 4 - HB3 GLU 69 - HD3 LYS 119 lone 3 100 - 3 - HB3 GLU 69 - HD2 LYS 119 lone 3 100 - 3 - HB2 GLU 38 - HD3 LYS 32 lone 3 93 - 3 - HB2 GLU 38 - HD2 LYS 32 lone 3 93 - 3 - HB2 ARG 85 - HD3 LYS 32 lone 3 93 - 3 - HB3 ARG 85 - HD2 LYS 32 lone 3 93 - 3 - HB3 ARG 85 - HD3 LYS 32 lone 3 93 - 3 - HB2 ARG 85 - HD2 LYS 32 lone 3 93 - 3 - HB3 MET 11 - HD2 LYS 119 lone 2 65 - 4 - HB3 MET 11 - HD3 LYS 119 lone 2 65 - 4 - HB3 GLU 69 - HD3 LYS 32 lone 2 93 - 2 - HB3 GLU 69 - HD2 LYS 32 lone 2 93 - 2 - HB3 GLU 94 - HD2 LYS 119 lone 2 97 - 2 - HB3 GLU 94 - HD3 LYS 119 lone 2 97 - 2 - HB2 LEU 21 - HD2 LYS 32 lone 2 78 - 2 - HB2 LEU 21 - HD3 LYS 32 lone 2 78 - 2 - HB2 GLU 64 - HD2 LYS 32 lone 1 92 - 1 - HB2 GLU 64 - HD3 LYS 32 lone 1 92 - 1 - HB3 GLU 64 - HD3 LYS 32 lone 1 90 - 1 - HB3 GLU 64 - HD2 LYS 32 lone 1 90 - 1 - HB3 GLU 94 - HD3 LYS 32 lone 1 88 - 1 - HB3 GLU 94 - HD2 LYS 32 lone 1 88 - 1 - HG LEU 45 - HD2 LYS 32 lone 1 54 - 2 - HG LEU 45 - HD3 LYS 32 lone 1 54 - 2 - HB3 MET 11 - HD2 LYS 32 lone 0 56 - 1 - HB3 MET 11 - HD3 LYS 32 lone 0 56 - 1 - Peak 5244 from cnoeabs.peaks (1.46, 1.60, 28.93 ppm; 2.75 A): 2 out of 64 assignments used, quality = 0.99: * HG2 LYS 119 + HD2 LYS 119 OK 88 100 - 88 - 3.0=80, 5226/1.8=5...(18) HG2 LYS 119 + HD3 LYS 119 OK 88 100 - 88 - 3.0=80, 5226/1.8=5...(18) HD2 LYS 46 - HD2 LYS 119 OK 25 100 - 25 - 2973/3.0=2, 5204/3.7=2...(6) HD2 LYS 46 - HD3 LYS 119 OK 25 100 - 25 - 2973/3.0=2, 5204/3.7=2...(6) HG3 LYS 31 - HD2 LYS 119 OK 25 100 - 25 - 5225/3.0=2, 5226=2...(10) HG3 LYS 31 - HD3 LYS 119 OK 25 100 - 25 - 5225/3.0=2, 5226=2...(10) HG3 ARG 57 - HD2 LYS 119 OK 20 99 - 20 - 3327=3, 3327/1.8=2 HG3 ARG 57 - HD3 LYS 119 OK 20 99 - 20 - 3327=3, 3327/1.8=2 HG2 LYS 119 - HD2 LYS 32 OK 14 93 - 15 - 5226=1, 1.8/5255=1 HG2 LYS 119 - HD3 LYS 32 OK 14 93 - 15 - 5226=1, 1.8/5255=1 HG3 LYS 31 - HD2 LYS 32 poor 10 93 - 11 - 123/5.9=1 HG3 LYS 31 - HD3 LYS 32 poor 10 93 - 11 - 123/5.9=1 HB3 LEU 58 - HD2 LYS 119 poor 9 65 - 15 - 5204/3.7=1, 3.9/267=1 HB3 LEU 58 - HD3 LYS 119 poor 9 65 - 15 - 5204/3.7=1, 3.9/267=1 HG2 LYS 109 - HD2 LYS 119 poor 9 83 - 10 - 5204/3.7=1 HG2 LYS 109 - HD3 LYS 119 poor 9 83 - 10 - 5204/3.7=1 HB3 LEU 101 - HD2 LYS 32 poor 8 70 - 12 - HB3 LEU 101 - HD3 LYS 32 poor 8 70 - 12 - HB3 LEU 101 - HD3 LYS 119 lone 7 81 - 9 - HB3 LEU 101 - HD2 LYS 119 lone 7 81 - 9 - HB3 GLU 75 - HD2 LYS 32 lone 7 88 - 7 - HB3 GLU 75 - HD3 LYS 32 lone 7 88 - 7 - HB2 LEU 93 - HD3 LYS 119 lone 6 100 - 6 - HB2 LEU 93 - HD2 LYS 119 lone 6 100 - 6 - QB ALA 14 - HD3 LYS 119 lone 5 100 - 5 - 6306/3.0=1 QB ALA 14 - HD2 LYS 119 lone 5 100 - 5 - 6306/3.0=1 HG LEU 24 - HD2 LYS 32 lone 5 88 - 5 - HG LEU 24 - HD3 LYS 32 lone 5 88 - 5 - HG LEU 24 - HD2 LYS 119 lone 4 97 - 4 - HG LEU 24 - HD3 LYS 119 lone 4 97 - 4 - HG2 LYS 109 - HD3 LYS 32 lone 4 72 - 6 - HG2 LYS 109 - HD2 LYS 32 lone 4 72 - 6 - HB3 LEU 45 - HD3 LYS 119 lone 3 97 - 3 - HB3 LEU 45 - HD2 LYS 119 lone 3 97 - 3 - QB ALA 14 - HD3 LYS 32 lone 3 92 - 3 - QB ALA 14 - HD2 LYS 32 lone 3 92 - 3 - HB2 LEU 93 - HD3 LYS 32 lone 2 92 - 3 - HB2 LEU 93 - HD2 LYS 32 lone 2 92 - 3 - HG LEU 91 - HD2 LYS 119 lone 2 60 - 4 - HG LEU 91 - HD3 LYS 119 lone 2 60 - 4 - HB3 GLU 75 - HD2 LYS 119 lone 2 97 - 2 - HB3 GLU 75 - HD3 LYS 119 lone 2 97 - 2 - QB ALA 89 - HD2 LYS 119 lone 2 83 - 2 - QB ALA 89 - HD3 LYS 119 lone 2 83 - 2 - HD2 LYS 65 - HD2 LYS 119 lone 1 89 - 1 - HD3 LYS 65 - HD2 LYS 119 lone 1 89 - 1 - HD3 LYS 65 - HD3 LYS 119 lone 1 89 - 1 - HD2 LYS 65 - HD3 LYS 119 lone 1 89 - 1 - HD2 LYS 46 - HD2 LYS 32 lone 1 93 - 1 - HD2 LYS 46 - HD3 LYS 32 lone 1 93 - 1 - HG3 ARG 57 - HD2 LYS 32 lone 1 91 - 1 - HG3 ARG 57 - HD3 LYS 32 lone 1 91 - 1 - HB3 LEU 58 - HD3 LYS 32 lone 1 56 - 2 - HB3 LEU 58 - HD2 LYS 32 lone 1 56 - 2 - HB3 LEU 45 - HD3 LYS 32 lone 1 88 - 1 - HB3 LEU 45 - HD2 LYS 32 lone 1 88 - 1 - HG LEU 91 - HD2 LYS 32 lone 1 51 - 1 - HG LEU 91 - HD3 LYS 32 lone 1 51 - 1 - HD3 LYS 65 - HD2 LYS 32 lone 0 78 - 0 - HD3 LYS 65 - HD3 LYS 32 lone 0 78 - 0 - HD2 LYS 65 - HD2 LYS 32 lone 0 78 - 0 - HD2 LYS 65 - HD3 LYS 32 lone 0 78 - 0 - QB ALA 89 - HD3 LYS 32 lone 0 72 - 0 - QB ALA 89 - HD2 LYS 32 lone 0 72 - 0 - Peak 5245 from cnoeabs.peaks (1.32, 1.60, 28.93 ppm; 3.13 A): 2 out of 36 assignments used, quality = 1.00: * HG3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HG3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HG3 LYS 46 - HD2 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG2 LYS 46 - HD2 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG2 LYS 46 - HD3 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG3 LYS 46 - HD3 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG3 LYS 119 - HD3 LYS 32 OK 18 93 - 19 - 5237=1, 2.9/5207=1, 1.8/5254=1 HG3 LYS 119 - HD2 LYS 32 OK 18 93 - 19 - 5237=1, 2.9/5207=1, 1.8/5254=1 HB3 LEU 84 - HD2 LYS 119 OK 16 97 - 16 - 5205/3.7=2, 5225/3.0=1...(4) HB3 LEU 84 - HD3 LYS 119 OK 16 97 - 16 - 5205/3.7=2, 5225/3.0=1...(4) HB3 LEU 59 - HD2 LYS 119 OK 13 68 - 19 - 5205/3.7=1, 3.7/5920=1...(4) HB3 LEU 59 - HD3 LYS 119 OK 13 68 - 18 - 5205/3.7=1, 3.7/5920=1...(4) QG2 THR 17 - HD2 LYS 119 lone 4 98 - 4 - QG2 THR 17 - HD3 LYS 119 lone 4 98 - 4 - QG2 THR 23 - HD2 LYS 119 lone 4 100 - 4 - QG2 THR 23 - HD3 LYS 119 lone 4 100 - 4 - HG CYS 87 - HD2 LYS 119 lone 3 99 - 3 - HG CYS 87 - HD3 LYS 119 lone 3 99 - 3 - QB ALA 43 - HD2 LYS 119 lone 3 93 - 3 - QB ALA 43 - HD3 LYS 119 lone 3 93 - 3 - HB3 LEU 84 - HD3 LYS 32 lone 2 88 - 2 - HB3 LEU 84 - HD2 LYS 32 lone 2 88 - 2 - HB3 LEU 59 - HD2 LYS 32 lone 2 59 - 3 - HB3 LEU 59 - HD3 LYS 32 lone 2 59 - 3 - HG2 LYS 46 - HD3 LYS 32 lone 2 89 - 2 - HG2 LYS 46 - HD2 LYS 32 lone 2 89 - 2 - HG3 LYS 46 - HD3 LYS 32 lone 2 89 - 2 - HG3 LYS 46 - HD2 LYS 32 lone 2 89 - 2 - QB ALA 43 - HD3 LYS 32 lone 1 83 - 1 - QB ALA 43 - HD2 LYS 32 lone 1 83 - 1 - QG2 THR 17 - HD2 LYS 32 lone 1 89 - 1 - QG2 THR 17 - HD3 LYS 32 lone 1 89 - 1 - QG2 THR 23 - HD2 LYS 32 lone 1 93 - 1 - QG2 THR 23 - HD3 LYS 32 lone 1 93 - 1 - HG CYS 87 - HD2 LYS 32 lone 0 91 - 0 - HG CYS 87 - HD3 LYS 32 lone 0 91 - 0 - Peak 5246 from cnoeabs.peaks (1.60, 1.60, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 HD3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 83 83 - 100 HD3 LYS 32 + HD3 LYS 32 OK 83 83 - 100 Peak 5247 from cnoeabs.peaks (1.60, 1.60, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 HD3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 85 85 - 100 HD3 LYS 32 + HD3 LYS 32 OK 85 85 - 100 Reference assignment not found: HD3 LYS 119 - HD2 LYS 119 Peak 5248 from cnoeabs.peaks (2.86, 1.60, 28.93 ppm; 3.19 A): 4 out of 40 assignments used, quality = 1.00: * HE2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 - HD2 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HE2 LYS 119 - HD3 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HE3 LYS 119 - HD3 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HE3 LYS 119 - HD2 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HB2 ASN 79 - HD3 LYS 32 poor 9 72 - 12 - ~2525=1, ~2515=1...(8) HB2 ASN 79 - HD2 LYS 32 poor 9 72 - 12 - ~2525=1, ~2515=1...(8) HB3 ASN 12 - HD2 LYS 119 lone 7 81 - 9 - HB3 ASN 12 - HD3 LYS 119 lone 7 81 - 9 - HG CYS 52 - HD3 LYS 119 lone 3 97 - 3 - HG CYS 52 - HD2 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HD2 LYS 119 lone 2 83 - 2 - HB2 ASN 79 - HD3 LYS 119 lone 2 83 - 2 - HB3 TYR 67 - HD2 LYS 119 lone 2 73 - 2 - HB2 TYR 67 - HD2 LYS 119 lone 2 73 - 2 - HB3 TYR 67 - HD3 LYS 119 lone 2 73 - 2 - HB2 TYR 67 - HD3 LYS 119 lone 2 73 - 2 - HB3 PHE 107 - HD2 LYS 119 lone 1 85 - 2 - HB3 PHE 107 - HD3 LYS 119 lone 1 85 - 2 - HB2 ASP 36 - HD2 LYS 119 lone 1 78 - 1 - HB2 ASP 36 - HD3 LYS 119 lone 1 78 - 1 - HB3 PHE 107 - HD2 LYS 32 lone 1 74 - 1 - HB3 PHE 107 - HD3 LYS 32 lone 1 74 - 1 - HB2 ASN 99 - HD2 LYS 119 lone 1 78 - 1 - HB2 ASN 99 - HD3 LYS 119 lone 1 78 - 1 - HG CYS 52 - HD3 LYS 32 lone 1 87 - 1 - HG CYS 52 - HD2 LYS 32 lone 1 87 - 1 - HB3 TYR 67 - HD2 LYS 32 lone 0 63 - 1 - HB3 TYR 67 - HD3 LYS 32 lone 0 63 - 1 - HB2 TYR 67 - HD3 LYS 32 lone 0 63 - 1 - HB2 TYR 67 - HD2 LYS 32 lone 0 63 - 1 - HB3 ASN 12 - HD3 LYS 32 lone 0 70 - 1 - HB3 ASN 12 - HD2 LYS 32 lone 0 70 - 1 - HB2 ASP 36 - HD2 LYS 32 lone 0 68 - 0 - HB2 ASP 36 - HD3 LYS 32 lone 0 68 - 0 - HB2 ASN 99 - HD3 LYS 32 lone 0 68 - 0 - HB2 ASN 99 - HD2 LYS 32 lone 0 68 - 0 - Peak 5249 from cnoeabs.peaks (2.86, 1.60, 28.93 ppm; 3.19 A): 4 out of 40 assignments used, quality = 1.00: * HE3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 - HD2 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HE3 LYS 119 - HD3 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HE2 LYS 119 - HD2 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HE2 LYS 119 - HD3 LYS 32 OK 13 93 - 14 - 8606/2.9=1 HB2 ASN 79 - HD3 LYS 32 poor 9 74 - 12 - ~2525=1, ~2515=1...(8) HB2 ASN 79 - HD2 LYS 32 poor 9 74 - 12 - ~2525=1, ~2515=1...(8) HB3 ASN 12 - HD2 LYS 119 lone 7 78 - 9 - HB3 ASN 12 - HD3 LYS 119 lone 7 78 - 9 - HG CYS 52 - HD3 LYS 119 lone 3 97 - 3 - HG CYS 52 - HD2 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HD2 LYS 119 lone 2 85 - 2 - HB2 ASN 79 - HD3 LYS 119 lone 2 85 - 2 - HB3 TYR 67 - HD2 LYS 119 lone 2 76 - 2 - HB2 TYR 67 - HD2 LYS 119 lone 2 76 - 2 - HB3 TYR 67 - HD3 LYS 119 lone 2 76 - 2 - HB2 TYR 67 - HD3 LYS 119 lone 2 76 - 2 - HB3 PHE 107 - HD2 LYS 119 lone 1 87 - 2 - HB3 PHE 107 - HD3 LYS 119 lone 1 87 - 2 - HB2 ASP 36 - HD2 LYS 119 lone 1 81 - 1 - HB2 ASP 36 - HD3 LYS 119 lone 1 81 - 1 - HB3 PHE 107 - HD2 LYS 32 lone 1 76 - 1 - HB3 PHE 107 - HD3 LYS 32 lone 1 76 - 1 - HB2 ASN 99 - HD2 LYS 119 lone 1 81 - 1 - HB2 ASN 99 - HD3 LYS 119 lone 1 81 - 1 - HG CYS 52 - HD3 LYS 32 lone 1 88 - 1 - HG CYS 52 - HD2 LYS 32 lone 1 88 - 1 - HB3 TYR 67 - HD2 LYS 32 lone 1 66 - 1 - HB3 TYR 67 - HD3 LYS 32 lone 1 66 - 1 - HB2 TYR 67 - HD3 LYS 32 lone 1 66 - 1 - HB2 TYR 67 - HD2 LYS 32 lone 1 66 - 1 - HB3 ASN 12 - HD3 LYS 32 lone 0 68 - 1 - HB3 ASN 12 - HD2 LYS 32 lone 0 68 - 1 - HB2 ASP 36 - HD2 LYS 32 lone 0 70 - 0 - HB2 ASP 36 - HD3 LYS 32 lone 0 70 - 0 - HB2 ASN 99 - HD3 LYS 32 lone 0 70 - 0 - HB2 ASN 99 - HD2 LYS 32 lone 0 70 - 0 - Peak 5251 from cnoeabs.peaks (3.83, 1.60, 28.93 ppm; 3.72 A): 4 out of 56 assignments used, quality = 0.99: HA LYS 119 + HD2 LYS 119 OK 81 100 - 81 - 5.3=34, 5195/3.0=11...(29) * HA LYS 119 + HD3 LYS 119 OK 81 100 - 81 - 5.3=34, 5195/3.0=11...(29) HA THR 116 + HD2 LYS 119 OK 47 100 - 48 - 6252/3.7=6, 3.2/7993=5...(19) HA THR 116 + HD3 LYS 119 OK 47 100 - 48 - 6252/3.7=6, 3.2/7993=5...(19) HA THR 33 - HD2 LYS 32 OK 25 55 - 47 - 2.9/134=6, ~130=5...(20) HA THR 33 - HD3 LYS 32 OK 25 55 - 47 - 2.9/134=6, ~130=5...(20) HA LEU 77 - HD3 LYS 32 OK 21 93 - 23 - 3994/2.9=4, 3994/2.9=3...(13) HA LEU 77 - HD2 LYS 32 OK 21 93 - 23 - 3994/2.9=4, 3994/2.9=3...(13) HA LYS 119 - HD3 LYS 32 OK 20 95 - 21 - 5197=2, 5197/1.8=2...(5) HA LYS 119 - HD2 LYS 32 OK 20 95 - 21 - 5197=2, 5197/1.8=2...(5) HB3 SER 29 - HD3 LYS 32 OK 20 74 - 27 - ~6572=4, 3.0/8243=3...(14) HB3 SER 29 - HD2 LYS 32 OK 20 74 - 27 - ~6572=4, 3.0/8243=3...(14) HB2 SER 29 - HD2 LYS 32 OK 19 72 - 27 - ~6572=4, 3.0/8243=3...(14) HB2 SER 29 - HD3 LYS 32 OK 19 72 - 27 - ~6572=4, 3.0/8243=3...(14) HA THR 19 - HD3 LYS 119 OK 16 97 - 16 - 5201/3.7=2, 6253/3.7=2...(9) HA THR 19 - HD2 LYS 119 OK 16 97 - 16 - 5201/3.7=2, 6253/3.7=2...(9) HB THR 33 - HD3 LYS 32 OK 15 52 - 29 - 6617/5.0=6, 4.0/135=4...(13) HB THR 33 - HD2 LYS 32 OK 15 52 - 29 - 6617/5.0=6, 4.0/135=4...(13) HA THR 116 - HD2 LYS 32 OK 15 94 - 15 - 3.2/7993=2, 7983=1...(5) HA THR 116 - HD3 LYS 32 OK 15 94 - 15 - 3.2/7993=2, 7983=1...(5) HB3 SER 29 - HD3 LYS 119 OK 10 83 - 12 - 6252/3.7=1 HB3 SER 29 - HD2 LYS 119 OK 10 83 - 12 - 6252/3.7=1 HB2 SER 29 - HD3 LYS 119 poor 10 81 - 12 - 6252/3.7=1 HB2 SER 29 - HD2 LYS 119 poor 10 81 - 12 - 6252/3.7=1 HA LEU 77 - HD3 LYS 119 lone 9 100 - 9 - 6108/3.7=1, 5201/3.7=1 HA LEU 77 - HD2 LYS 119 lone 9 100 - 9 - 6108/3.7=1, 5201/3.7=1 HA THR 19 - HD2 LYS 32 lone 8 90 - 9 - HA THR 19 - HD3 LYS 32 lone 8 90 - 9 - HA GLU 15 - HD3 LYS 32 lone 6 80 - 8 - 6319/2.9=2, 8188/3.5=2 HA GLU 15 - HD2 LYS 32 lone 6 80 - 8 - 6319/2.9=2, 8188/3.5=2 HA GLU 15 - HD3 LYS 119 lone 6 89 - 7 - 8187/3.0=2 HA GLU 15 - HD2 LYS 119 lone 6 89 - 7 - 8187/3.0=2 HA3 GLY 88 - HD3 LYS 119 lone 6 85 - 7 - HA3 GLY 88 - HD2 LYS 119 lone 6 85 - 7 - HA2 GLY 88 - HD3 LYS 119 lone 5 76 - 7 - HA2 GLY 88 - HD2 LYS 119 lone 5 76 - 7 - HA3 GLY 39 - HD2 LYS 32 lone 3 60 - 5 - HA3 GLY 39 - HD3 LYS 32 lone 3 60 - 5 - HA THR 33 - HD3 LYS 119 lone 3 63 - 4 - HA THR 33 - HD2 LYS 119 lone 3 63 - 4 - HB THR 33 - HD3 LYS 119 lone 2 60 - 3 - HB THR 33 - HD2 LYS 119 lone 2 60 - 3 - HA3 GLY 104 - HD2 LYS 32 lone 2 67 - 3 - HA3 GLY 104 - HD3 LYS 32 lone 2 67 - 3 - HA3 GLY 39 - HD3 LYS 119 lone 2 68 - 2 - HA3 GLY 39 - HD2 LYS 119 lone 2 68 - 2 - HB2 SER 35 - HD3 LYS 119 lone 1 73 - 2 - HB2 SER 35 - HD2 LYS 119 lone 1 73 - 2 - HA3 GLY 104 - HD3 LYS 119 lone 1 76 - 1 - HA3 GLY 104 - HD2 LYS 119 lone 1 76 - 1 - HB2 SER 35 - HD3 LYS 32 lone 1 65 - 1 - HB2 SER 35 - HD2 LYS 32 lone 1 65 - 1 - HA3 GLY 88 - HD3 LYS 32 lone 1 76 - 1 - HA3 GLY 88 - HD2 LYS 32 lone 1 76 - 1 - HA2 GLY 88 - HD3 LYS 32 lone 1 67 - 1 - HA2 GLY 88 - HD2 LYS 32 lone 1 67 - 1 - Peak 5252 from cnoeabs.peaks (1.88, 1.60, 28.93 ppm; 3.76 A): 4 out of 60 assignments used, quality = 1.00: * HB2 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.7=100 HB2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.7=100 HB3 LYS 31 + HD2 LYS 119 OK 45 100 - 46 - 2420/3.0=4, 2421/1.8=3...(27) HB3 LYS 31 + HD3 LYS 119 OK 45 100 - 46 - 2420/3.0=4, 2421/1.8=3...(28) HB2 LYS 119 - HD3 LYS 32 OK 28 95 - 29 - 8457/2.9=3, 5207=3...(9) HB2 LYS 119 - HD2 LYS 32 OK 28 95 - 29 - 8457/2.9=3, 5207=3...(9) HB2 LEU 58 - HD2 LYS 119 OK 26 94 - 28 - 5212/3.7=2, 3.9/267=2...(13) HB2 LEU 58 - HD3 LYS 119 OK 26 95 - 28 - 5212/3.7=2, 3.9/267=2...(13) HB3 LYS 31 - HD2 LYS 32 OK 24 95 - 26 - 5519/5.9=6, 2421/1.8=2...(8) HB3 LYS 31 - HD3 LYS 32 OK 24 95 - 26 - 5519/5.9=6, 2421/1.8=2...(8) HG LEU 84 - HD3 LYS 119 OK 22 100 - 22 - 4256/3.0=3, 2.1/8517=3...(8) HG LEU 84 - HD2 LYS 119 OK 22 100 - 22 - 4256/3.0=3, 2.1/8517=3...(8) HB2 LEU 84 - HD3 LYS 119 OK 19 87 - 21 - 4242/3.0=2, 3.1/8517=2...(10) HB2 LEU 84 - HD2 LYS 119 OK 19 87 - 21 - 4242/3.0=2, 3.1/8517=2...(10) HB3 LYS 109 - HD3 LYS 119 OK 18 85 - 21 - 4902/3.7=2, 4904/3.0=2...(7) HB3 LYS 109 - HD2 LYS 119 OK 18 85 - 21 - 4902/3.7=2, 4904/3.0=2...(7) HB2 ARG 81 - HD3 LYS 119 OK 13 76 - 17 - ~6136=2, 3.0/4108=1 HB2 ARG 81 - HD2 LYS 119 OK 13 76 - 17 - ~6136=2, 3.0/4109=1, 4116=1 HG LEU 55 - HD3 LYS 119 OK 11 100 - 11 - 8298/3.0=1, 1383/6.0=1 HG LEU 55 - HD2 LYS 119 OK 11 100 - 11 - 8298/3.0=1, 1383/6.0=1 HB3 LYS 109 - HD2 LYS 32 poor 10 76 - 13 - 7840/3.0=2, 7840/3.0=2, ~7839=1 HB3 LYS 109 - HD3 LYS 32 poor 10 76 - 13 - 7840/3.0=2, 7840/3.0=2, ~7839=1 HB ILE 22 - HD3 LYS 119 poor 8 73 - 11 - ~6436=2, 5982/5.3=1 HB ILE 22 - HD2 LYS 119 poor 8 73 - 11 - ~6436=2, 5982/5.3=1 HB VAL 50 - HD3 LYS 119 lone 7 100 - 7 - ~8283=1 HB VAL 50 - HD2 LYS 119 lone 7 100 - 7 - ~8283=1 HG LEU 84 - HD2 LYS 32 lone 5 94 - 6 - 8359/2.9=1 HG LEU 84 - HD3 LYS 32 lone 5 94 - 6 - 8359/2.9=1 HG LEU 55 - HD2 LYS 32 lone 4 94 - 4 - 121/5.9=1 HG LEU 55 - HD3 LYS 32 lone 4 94 - 4 - 121/5.9=1 HB2 LEU 58 - HD3 LYS 32 lone 3 86 - 4 - HB2 LEU 58 - HD2 LYS 32 lone 3 86 - 4 - HB3 GLU 28 - HD3 LYS 119 lone 3 92 - 3 - HB2 LEU 84 - HD2 LYS 32 lone 3 78 - 4 - HB2 LEU 84 - HD3 LYS 32 lone 3 78 - 4 - HB3 GLU 28 - HD2 LYS 119 lone 3 92 - 3 - HB ILE 22 - HD3 LYS 32 lone 3 65 - 5 - ~6443=1 HB ILE 22 - HD2 LYS 32 lone 3 65 - 5 - ~6443=1 HB2 GLU 28 - HD3 LYS 119 lone 3 85 - 3 - HB2 GLU 28 - HD2 LYS 119 lone 3 85 - 3 - HB2 ARG 92 - HD2 LYS 119 lone 3 98 - 3 - HB2 ARG 92 - HD3 LYS 119 lone 3 98 - 3 - HG3 PRO 68 - HD3 LYS 119 lone 2 92 - 3 - HG3 PRO 68 - HD2 LYS 119 lone 2 92 - 3 - HB2 ARG 92 - HD3 LYS 32 lone 2 91 - 2 - HB2 ARG 92 - HD2 LYS 32 lone 2 91 - 2 - HB VAL 50 - HD2 LYS 32 lone 1 95 - 1 - HB VAL 50 - HD3 LYS 32 lone 1 95 - 1 - HB3 GLU 28 - HD3 LYS 32 lone 1 83 - 2 - HB3 GLU 28 - HD2 LYS 32 lone 1 83 - 2 - HB3 GLU 73 - HD2 LYS 119 lone 1 68 - 2 - HB3 GLU 73 - HD3 LYS 119 lone 1 68 - 2 - HB2 GLU 28 - HD2 LYS 32 lone 1 76 - 1 - HB2 GLU 28 - HD3 LYS 32 lone 1 76 - 1 - HB2 ARG 81 - HD2 LYS 32 lone 1 67 - 1 - HB2 ARG 81 - HD3 LYS 32 lone 1 67 - 1 - HG3 PRO 68 - HD3 LYS 32 lone 1 83 - 1 - HG3 PRO 68 - HD2 LYS 32 lone 1 83 - 1 - HB3 GLU 73 - HD3 LYS 32 lone 1 60 - 1 - HB3 GLU 73 - HD2 LYS 32 lone 1 60 - 1 - Peak 5253 from cnoeabs.peaks (1.94, 1.60, 28.93 ppm; 3.94 A): 4 out of 60 assignments used, quality = 1.00: * HB3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.7=100 HB3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.7=100 HB3 PRO 30 + HD3 LYS 32 OK 55 94 - 59 - 6610/5.9=6, ~6605=5...(37) HB3 PRO 30 + HD2 LYS 32 OK 55 94 - 59 - 6610/5.9=6, ~6605=5...(37) HB3 PRO 30 - HD3 LYS 119 OK 35 100 - 35 - 5203/3.7=4, 5215/3.0=3...(17) HB3 PRO 30 - HD2 LYS 119 OK 35 100 - 35 - 5203/3.7=4, 5215/3.0=3...(17) HG LEU 58 - HD2 LYS 119 OK 29 97 - 31 - 5203/3.7=4, 5223/3.0=2...(12) HG LEU 58 - HD3 LYS 119 OK 29 97 - 31 - 5203/3.7=4, 5223/3.0=2...(12) HB3 LYS 119 - HD3 LYS 32 OK 29 95 - 31 - ~8457=2, 1.8/5207=2...(13) HB3 LYS 119 - HD2 LYS 32 OK 29 95 - 31 - ~8457=2, 1.8/5207=2...(13) HB2 LYS 109 - HD2 LYS 119 OK 25 99 - 25 - 5203/3.7=4, 4894/3.0=3...(8) HB2 LYS 109 - HD3 LYS 119 OK 25 99 - 25 - 5203/3.7=4, 4894/3.0=3...(8) HB ILE 80 - HD2 LYS 119 OK 17 81 - 21 - 3.2/7417=2, 6109/5.3=2...(10) HB ILE 80 - HD3 LYS 119 OK 17 81 - 21 - 3.2/7417=2, 6109/5.3=2...(10) HB2 LYS 109 - HD3 LYS 32 OK 14 93 - 15 - 7839/3.0=2, 7839/3.0=2...(4) HB2 LYS 109 - HD2 LYS 32 OK 14 93 - 15 - 7839/3.0=2, 7839/3.0=2...(4) HB ILE 80 - HD3 LYS 32 OK 12 72 - 17 - 3.2/7417=2, ~7417=1...(8) HB ILE 80 - HD2 LYS 32 OK 12 72 - 17 - 3.2/7417=2, ~7417=1...(8) HB2 LEU 21 - HD3 LYS 119 OK 10 89 - 11 - 1.8/8036=1, 5203/3.7=1 HB2 LEU 21 - HD2 LYS 119 OK 10 89 - 11 - 1.8/8036=1, 5203/3.7=1 HB2 GLU 38 - HD3 LYS 119 lone 5 100 - 5 - HB2 GLU 38 - HD2 LYS 119 lone 5 100 - 5 - HB3 ARG 85 - HD3 LYS 119 lone 4 100 - 4 - HB2 ARG 85 - HD3 LYS 119 lone 4 100 - 4 - HB2 ARG 85 - HD2 LYS 119 lone 4 100 - 4 - HB3 ARG 85 - HD2 LYS 119 lone 4 100 - 4 - HG LEU 58 - HD3 LYS 32 lone 4 89 - 5 - HG LEU 58 - HD2 LYS 32 lone 4 89 - 5 - HG LEU 45 - HD3 LYS 119 lone 4 63 - 6 - HG LEU 45 - HD2 LYS 119 lone 4 63 - 6 - HB2 GLU 64 - HD2 LYS 119 lone 4 99 - 4 - HB2 GLU 64 - HD3 LYS 119 lone 4 99 - 4 - HB3 GLU 64 - HD3 LYS 119 lone 4 99 - 4 - HB3 GLU 64 - HD2 LYS 119 lone 4 99 - 4 - HB3 GLU 69 - HD3 LYS 119 lone 3 100 - 3 - HB3 GLU 69 - HD2 LYS 119 lone 3 100 - 3 - HB2 GLU 38 - HD2 LYS 32 lone 3 94 - 3 - HB2 GLU 38 - HD3 LYS 32 lone 3 94 - 3 - HB2 ARG 85 - HD3 LYS 32 lone 3 94 - 3 - HB2 ARG 85 - HD2 LYS 32 lone 3 94 - 3 - HB3 ARG 85 - HD2 LYS 32 lone 3 94 - 3 - HB3 ARG 85 - HD3 LYS 32 lone 3 94 - 3 - HB3 MET 11 - HD3 LYS 119 lone 2 65 - 4 - HB3 MET 11 - HD2 LYS 119 lone 2 65 - 4 - HB3 GLU 69 - HD2 LYS 32 lone 2 95 - 2 - HB3 GLU 69 - HD3 LYS 32 lone 2 95 - 2 - HB3 GLU 94 - HD3 LYS 119 lone 2 97 - 2 - HB3 GLU 94 - HD2 LYS 119 lone 2 97 - 2 - HB2 LEU 21 - HD2 LYS 32 lone 2 80 - 2 - HB2 LEU 21 - HD3 LYS 32 lone 2 80 - 2 - HB2 GLU 64 - HD2 LYS 32 lone 1 93 - 1 - HB2 GLU 64 - HD3 LYS 32 lone 1 93 - 1 - HB3 GLU 64 - HD3 LYS 32 lone 1 91 - 1 - HB3 GLU 64 - HD2 LYS 32 lone 1 91 - 1 - HB3 GLU 94 - HD3 LYS 32 lone 1 90 - 1 - HB3 GLU 94 - HD2 LYS 32 lone 1 90 - 1 - HG LEU 45 - HD2 LYS 32 lone 1 55 - 2 - HG LEU 45 - HD3 LYS 32 lone 1 55 - 2 - HB3 MET 11 - HD2 LYS 32 lone 0 57 - 1 - HB3 MET 11 - HD3 LYS 32 lone 0 57 - 1 - Peak 5254 from cnoeabs.peaks (1.46, 1.60, 28.93 ppm; 2.75 A): 2 out of 64 assignments used, quality = 0.99: HG2 LYS 119 + HD2 LYS 119 OK 88 100 - 88 - 3.0=80, 5226/1.8=5...(18) * HG2 LYS 119 + HD3 LYS 119 OK 88 100 - 88 - 3.0=80, 5226/1.8=5...(18) HD2 LYS 46 - HD3 LYS 119 OK 25 100 - 25 - 2973/3.0=2, 5204/3.7=2...(6) HD2 LYS 46 - HD2 LYS 119 OK 25 100 - 25 - 2973/3.0=2, 5204/3.7=2...(6) HG3 LYS 31 - HD2 LYS 119 OK 25 100 - 25 - 5225/3.0=2, 5226=2...(10) HG3 LYS 31 - HD3 LYS 119 OK 25 100 - 25 - 5225/3.0=2, 5226=2...(10) HG3 ARG 57 - HD2 LYS 119 OK 20 99 - 20 - 3327=3, 3327/1.8=2 HG3 ARG 57 - HD3 LYS 119 OK 20 99 - 20 - 3327=3, 3327/1.8=2 HG2 LYS 119 - HD3 LYS 32 OK 14 95 - 15 - 5226=1, 1.8/5255=1 HG2 LYS 119 - HD2 LYS 32 OK 14 95 - 15 - 5226=1, 1.8/5255=1 HG3 LYS 31 - HD2 LYS 32 OK 10 94 - 11 - 123/5.9=1 HG3 LYS 31 - HD3 LYS 32 OK 10 94 - 11 - 123/5.9=1 HB3 LEU 58 - HD2 LYS 119 poor 9 65 - 15 - 5204/3.7=1, 3.9/267=1 HB3 LEU 58 - HD3 LYS 119 poor 9 65 - 15 - 5204/3.7=1 HG2 LYS 109 - HD3 LYS 119 poor 9 83 - 10 - 5204/3.7=1 HG2 LYS 109 - HD2 LYS 119 poor 9 83 - 10 - 5204/3.7=1 HB3 LEU 101 - HD3 LYS 32 poor 8 72 - 12 - HB3 LEU 101 - HD2 LYS 32 poor 8 72 - 12 - HB3 LEU 101 - HD3 LYS 119 lone 7 81 - 9 - HB3 LEU 101 - HD2 LYS 119 lone 7 81 - 9 - HB3 GLU 75 - HD3 LYS 32 lone 7 90 - 7 - HB3 GLU 75 - HD2 LYS 32 lone 7 90 - 7 - HB2 LEU 93 - HD3 LYS 119 lone 6 100 - 6 - HB2 LEU 93 - HD2 LYS 119 lone 6 100 - 6 - QB ALA 14 - HD3 LYS 119 lone 5 100 - 5 - 6306/3.0=1 QB ALA 14 - HD2 LYS 119 lone 5 100 - 5 - 6306/3.0=1 HG LEU 24 - HD3 LYS 32 lone 5 90 - 5 - HG LEU 24 - HD2 LYS 32 lone 5 90 - 5 - HG2 LYS 109 - HD2 LYS 32 lone 4 74 - 6 - HG2 LYS 109 - HD3 LYS 32 lone 4 74 - 6 - HG LEU 24 - HD2 LYS 119 lone 4 97 - 4 - HG LEU 24 - HD3 LYS 119 lone 4 97 - 4 - HB3 LEU 45 - HD3 LYS 119 lone 3 97 - 3 - HB3 LEU 45 - HD2 LYS 119 lone 3 97 - 3 - QB ALA 14 - HD2 LYS 32 lone 3 93 - 3 - QB ALA 14 - HD3 LYS 32 lone 3 93 - 3 - HB2 LEU 93 - HD3 LYS 32 lone 2 93 - 3 - HB2 LEU 93 - HD2 LYS 32 lone 2 93 - 3 - HG LEU 91 - HD3 LYS 119 lone 2 60 - 4 - HG LEU 91 - HD2 LYS 119 lone 2 60 - 4 - HB3 GLU 75 - HD3 LYS 119 lone 2 97 - 2 - HB3 GLU 75 - HD2 LYS 119 lone 2 97 - 2 - QB ALA 89 - HD3 LYS 119 lone 2 83 - 2 - QB ALA 89 - HD2 LYS 119 lone 2 83 - 2 - HD3 LYS 65 - HD3 LYS 119 lone 1 89 - 1 - HD2 LYS 65 - HD3 LYS 119 lone 1 89 - 1 - HD2 LYS 65 - HD2 LYS 119 lone 1 89 - 1 - HD3 LYS 65 - HD2 LYS 119 lone 1 89 - 1 - HD2 LYS 46 - HD2 LYS 32 lone 1 94 - 1 - HD2 LYS 46 - HD3 LYS 32 lone 1 94 - 1 - HG3 ARG 57 - HD2 LYS 32 lone 1 92 - 1 - HG3 ARG 57 - HD3 LYS 32 lone 1 92 - 1 - HB3 LEU 58 - HD3 LYS 32 lone 1 57 - 2 - HB3 LEU 58 - HD2 LYS 32 lone 1 57 - 2 - HB3 LEU 45 - HD3 LYS 32 lone 1 90 - 1 - HB3 LEU 45 - HD2 LYS 32 lone 1 90 - 1 - HG LEU 91 - HD3 LYS 32 lone 1 52 - 1 - HG LEU 91 - HD2 LYS 32 lone 1 52 - 1 - HD3 LYS 65 - HD2 LYS 32 lone 0 80 - 0 - HD3 LYS 65 - HD3 LYS 32 lone 0 80 - 0 - HD2 LYS 65 - HD2 LYS 32 lone 0 80 - 0 - HD2 LYS 65 - HD3 LYS 32 lone 0 80 - 0 - QB ALA 89 - HD2 LYS 32 lone 0 74 - 0 - QB ALA 89 - HD3 LYS 32 lone 0 74 - 0 - Peak 5255 from cnoeabs.peaks (1.32, 1.60, 28.93 ppm; 3.13 A): 2 out of 36 assignments used, quality = 1.00: * HG3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HG3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HG2 LYS 46 - HD3 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG3 LYS 46 - HD3 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG2 LYS 46 - HD2 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG3 LYS 46 - HD2 LYS 119 OK 38 98 - 39 - 5225/3.0=4, 5205/3.7=3...(17) HG3 LYS 119 - HD3 LYS 32 OK 18 95 - 19 - 5237=1, 2.9/5207=1, 1.8/5254=1 HG3 LYS 119 - HD2 LYS 32 OK 18 95 - 19 - 5237=1, 2.9/5207=1, 1.8/5254=1 HB3 LEU 84 - HD3 LYS 119 OK 16 97 - 16 - 5205/3.7=2, 5225/3.0=1...(4) HB3 LEU 84 - HD2 LYS 119 OK 16 97 - 16 - 5205/3.7=2, 5225/3.0=1...(4) HB3 LEU 59 - HD3 LYS 119 OK 13 68 - 19 - 5205/3.7=1, 3.7/5920=1...(4) HB3 LEU 59 - HD2 LYS 119 OK 13 68 - 19 - 5205/3.7=1, 3.7/5920=1...(4) QG2 THR 17 - HD2 LYS 119 lone 4 98 - 4 - QG2 THR 17 - HD3 LYS 119 lone 4 98 - 4 - QG2 THR 23 - HD2 LYS 119 lone 4 100 - 4 - QG2 THR 23 - HD3 LYS 119 lone 4 100 - 4 - HG CYS 87 - HD3 LYS 119 lone 3 99 - 3 - HG CYS 87 - HD2 LYS 119 lone 3 99 - 3 - QB ALA 43 - HD3 LYS 119 lone 3 93 - 3 - QB ALA 43 - HD2 LYS 119 lone 3 93 - 3 - HB3 LEU 84 - HD2 LYS 32 lone 2 90 - 2 - HB3 LEU 84 - HD3 LYS 32 lone 2 90 - 2 - HB3 LEU 59 - HD2 LYS 32 lone 2 60 - 3 - HB3 LEU 59 - HD3 LYS 32 lone 2 60 - 3 - HG2 LYS 46 - HD3 LYS 32 lone 2 91 - 2 - HG2 LYS 46 - HD2 LYS 32 lone 2 91 - 2 - HG3 LYS 46 - HD3 LYS 32 lone 2 91 - 2 - HG3 LYS 46 - HD2 LYS 32 lone 2 91 - 2 - QB ALA 43 - HD3 LYS 32 lone 1 85 - 1 - QB ALA 43 - HD2 LYS 32 lone 1 85 - 1 - QG2 THR 17 - HD2 LYS 32 lone 1 91 - 1 - QG2 THR 17 - HD3 LYS 32 lone 1 91 - 1 - QG2 THR 23 - HD2 LYS 32 lone 1 94 - 1 - QG2 THR 23 - HD3 LYS 32 lone 1 94 - 1 - HG CYS 87 - HD2 LYS 32 lone 0 92 - 0 - HG CYS 87 - HD3 LYS 32 lone 0 92 - 0 - Peak 5256 from cnoeabs.peaks (1.60, 1.60, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 HD3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 85 85 - 100 HD3 LYS 32 + HD3 LYS 32 OK 85 85 - 100 Reference assignment not found: HD2 LYS 119 - HD3 LYS 119 Peak 5257 from cnoeabs.peaks (1.60, 1.60, 28.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 HD2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 86 86 - 100 HD3 LYS 32 + HD3 LYS 32 OK 86 86 - 100 Peak 5258 from cnoeabs.peaks (2.86, 1.60, 28.93 ppm; 3.19 A): 4 out of 40 assignments used, quality = 1.00: * HE2 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 - HD2 LYS 32 OK 13 95 - 14 - 8606/2.9=1 HE2 LYS 119 - HD3 LYS 32 OK 13 95 - 14 - 8606/2.9=1 HE3 LYS 119 - HD3 LYS 32 OK 13 94 - 14 - 8606/2.9=1 HE3 LYS 119 - HD2 LYS 32 OK 13 94 - 14 - 8606/2.9=1 HB2 ASN 79 - HD2 LYS 32 poor 9 74 - 12 - ~2525=1, ~2515=1...(8) HB2 ASN 79 - HD3 LYS 32 poor 9 74 - 12 - ~2525=1, ~2515=1...(8) HB3 ASN 12 - HD3 LYS 119 lone 7 81 - 9 - HB3 ASN 12 - HD2 LYS 119 lone 7 81 - 9 - HG CYS 52 - HD3 LYS 119 lone 3 97 - 3 - HG CYS 52 - HD2 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HD2 LYS 119 lone 2 83 - 2 - HB2 ASN 79 - HD3 LYS 119 lone 2 83 - 2 - HB3 TYR 67 - HD3 LYS 119 lone 2 73 - 2 - HB2 TYR 67 - HD3 LYS 119 lone 2 73 - 2 - HB2 TYR 67 - HD2 LYS 119 lone 2 73 - 2 - HB3 TYR 67 - HD2 LYS 119 lone 2 73 - 2 - HB3 PHE 107 - HD3 LYS 119 lone 1 85 - 2 - HB3 PHE 107 - HD2 LYS 119 lone 1 85 - 2 - HB2 ASP 36 - HD2 LYS 119 lone 1 78 - 1 - HB2 ASP 36 - HD3 LYS 119 lone 1 78 - 1 - HB3 PHE 107 - HD2 LYS 32 lone 1 76 - 1 - HB3 PHE 107 - HD3 LYS 32 lone 1 76 - 1 - HB2 ASN 99 - HD3 LYS 119 lone 1 78 - 1 - HB2 ASN 99 - HD2 LYS 119 lone 1 78 - 1 - HG CYS 52 - HD3 LYS 32 lone 1 89 - 1 - HG CYS 52 - HD2 LYS 32 lone 1 89 - 1 - HB3 TYR 67 - HD2 LYS 32 lone 0 65 - 1 - HB3 TYR 67 - HD3 LYS 32 lone 0 65 - 1 - HB2 TYR 67 - HD3 LYS 32 lone 0 65 - 1 - HB2 TYR 67 - HD2 LYS 32 lone 0 65 - 1 - HB3 ASN 12 - HD3 LYS 32 lone 0 72 - 1 - HB3 ASN 12 - HD2 LYS 32 lone 0 72 - 1 - HB2 ASP 36 - HD2 LYS 32 lone 0 69 - 0 - HB2 ASP 36 - HD3 LYS 32 lone 0 69 - 0 - HB2 ASN 99 - HD3 LYS 32 lone 0 69 - 0 - HB2 ASN 99 - HD2 LYS 32 lone 0 69 - 0 - Peak 5259 from cnoeabs.peaks (2.86, 1.60, 28.93 ppm; 3.19 A): 4 out of 40 assignments used, quality = 1.00: * HE3 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 + HD3 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE2 LYS 119 + HD2 LYS 119 OK 100 100 - 100 - 3.0=100 HE3 LYS 119 - HD2 LYS 32 OK 13 95 - 14 - 8606/2.9=1 HE3 LYS 119 - HD3 LYS 32 OK 13 95 - 14 - 8606/2.9=1 HE2 LYS 119 - HD2 LYS 32 OK 13 94 - 14 - 8606/2.9=1 HE2 LYS 119 - HD3 LYS 32 OK 13 94 - 14 - 8606/2.9=1 HB2 ASN 79 - HD3 LYS 32 poor 9 76 - 12 - ~2525=1, ~2515=1...(8) HB2 ASN 79 - HD2 LYS 32 poor 9 76 - 12 - ~2525=1, ~2515=1...(8) HB3 ASN 12 - HD3 LYS 119 lone 7 78 - 9 - HB3 ASN 12 - HD2 LYS 119 lone 7 78 - 9 - HG CYS 52 - HD3 LYS 119 lone 3 97 - 3 - HG CYS 52 - HD2 LYS 119 lone 3 97 - 3 - HB2 ASN 79 - HD2 LYS 119 lone 2 85 - 2 - HB2 ASN 79 - HD3 LYS 119 lone 2 85 - 2 - HB3 TYR 67 - HD3 LYS 119 lone 2 76 - 2 - HB2 TYR 67 - HD3 LYS 119 lone 2 76 - 2 - HB2 TYR 67 - HD2 LYS 119 lone 2 76 - 2 - HB3 TYR 67 - HD2 LYS 119 lone 2 76 - 2 - HB3 PHE 107 - HD3 LYS 119 lone 1 87 - 2 - HB3 PHE 107 - HD2 LYS 119 lone 1 87 - 2 - HB2 ASP 36 - HD2 LYS 119 lone 1 81 - 1 - HB2 ASP 36 - HD3 LYS 119 lone 1 81 - 1 - HB3 PHE 107 - HD2 LYS 32 lone 1 78 - 1 - HB3 PHE 107 - HD3 LYS 32 lone 1 78 - 1 - HB2 ASN 99 - HD3 LYS 119 lone 1 81 - 1 - HB2 ASN 99 - HD2 LYS 119 lone 1 81 - 1 - HG CYS 52 - HD3 LYS 32 lone 1 90 - 1 - HG CYS 52 - HD2 LYS 32 lone 1 90 - 1 - HB3 TYR 67 - HD2 LYS 32 lone 1 67 - 1 - HB3 TYR 67 - HD3 LYS 32 lone 1 67 - 1 - HB2 TYR 67 - HD3 LYS 32 lone 1 67 - 1 - HB2 TYR 67 - HD2 LYS 32 lone 1 67 - 1 - HB3 ASN 12 - HD3 LYS 32 lone 0 69 - 1 - HB3 ASN 12 - HD2 LYS 32 lone 0 69 - 1 - HB2 ASP 36 - HD2 LYS 32 lone 0 72 - 0 - HB2 ASP 36 - HD3 LYS 32 lone 0 72 - 0 - HB2 ASN 99 - HD3 LYS 32 lone 0 72 - 0 - HB2 ASN 99 - HD2 LYS 32 lone 0 72 - 0 - Peak 5261 from cnoeabs.peaks (3.83, 2.86, 41.91 ppm; 4.06 A): 3 out of 28 assignments used, quality = 0.97: * HA LYS 119 + HE2 LYS 119 OK 78 100 - 78 - 6.3=26, 3.0/5208=10...(24) HA LYS 119 + HE3 LYS 119 OK 78 100 - 78 - 6.3=26, 3.0/5208=10...(24) HA THR 116 + HE2 LYS 119 OK 45 100 - 45 - 3.2/8170=8, ~8170=6...(13) HA THR 116 - HE3 LYS 119 OK 45 100 - 45 - 3.2/8170=8, ~8170=6...(13) HA THR 19 - HE2 LYS 119 OK 15 97 - 15 - 5201/4.9=2, 6253/4.9=2...(8) HA THR 19 - HE3 LYS 119 OK 15 97 - 15 - 5201/4.9=2, 6253/4.9=2...(8) HA LEU 77 - HE3 LYS 119 lone 8 100 - 8 - 6108/4.9=1, 5201/4.9=1 HA LEU 77 - HE2 LYS 119 lone 8 100 - 8 - 6108/4.9=1, 5201/4.9=1 HB3 SER 29 - HE2 LYS 119 lone 7 83 - 8 - HB3 SER 29 - HE3 LYS 119 lone 7 83 - 8 - HB2 SER 29 - HE2 LYS 119 lone 6 81 - 8 - HB2 SER 29 - HE3 LYS 119 lone 6 81 - 8 - HA GLU 15 - HE3 LYS 119 lone 5 89 - 6 - 8187/3.9=2 HA GLU 15 - HE2 LYS 119 lone 5 89 - 6 - 8187/3.9=2 HA3 GLY 88 - HE3 LYS 119 lone 4 85 - 5 - HA3 GLY 88 - HE2 LYS 119 lone 4 85 - 5 - HA2 GLY 88 - HE2 LYS 119 lone 3 76 - 4 - HA2 GLY 88 - HE3 LYS 119 lone 3 76 - 4 - HA THR 33 - HE2 LYS 119 lone 2 63 - 3 - HA THR 33 - HE3 LYS 119 lone 2 63 - 3 - HA3 GLY 39 - HE2 LYS 119 lone 2 68 - 3 - HA3 GLY 39 - HE3 LYS 119 lone 2 68 - 3 - HB THR 33 - HE2 LYS 119 lone 2 60 - 3 - HB THR 33 - HE3 LYS 119 lone 2 60 - 3 - HB2 SER 35 - HE3 LYS 119 lone 1 73 - 2 - HB2 SER 35 - HE2 LYS 119 lone 1 73 - 2 - HA3 GLY 104 - HE2 LYS 119 lone 1 76 - 1 - HA3 GLY 104 - HE3 LYS 119 lone 1 76 - 1 - Peak 5262 from cnoeabs.peaks (1.88, 2.86, 41.91 ppm; 4.42 A): 2 out of 30 assignments used, quality = 1.00: * HB2 LYS 119 + HE2 LYS 119 OK 96 100 - 96 - 4.9=74, 5208/1.8=15...(33) HB2 LYS 119 + HE3 LYS 119 OK 96 100 - 96 - 4.9=74, 5208/1.8=15...(33) HB3 LYS 31 - HE2 LYS 119 OK 36 100 - 36 - 2420/3.9=5, 2.9/5228=3...(17) HB3 LYS 31 - HE3 LYS 119 OK 36 100 - 36 - 2420/3.9=5, 2.9/5228=3...(17) HB2 LEU 58 - HE2 LYS 119 OK 27 95 - 28 - 3.1/8039=3, 3358/4.9=2...(15) HB2 LEU 58 - HE3 LYS 119 OK 27 94 - 28 - 3.1/8039=3, 3358/4.9=2...(15) HG LEU 84 - HE2 LYS 119 OK 17 100 - 17 - 4256/3.9=4, ~8517=2...(7) HG LEU 84 - HE3 LYS 119 OK 17 100 - 17 - 4256/3.9=4, ~8517=2...(7) HB3 LYS 109 - HE2 LYS 119 OK 15 85 - 18 - 4902/4.9=2, 4904/3.9=2...(7) HB3 LYS 109 - HE3 LYS 119 OK 15 85 - 18 - 4902/4.9=2, 4904/3.9=2...(7) HB2 LEU 84 - HE2 LYS 119 OK 14 87 - 16 - 4242/3.9=2, 1.8/5265=1...(7) HB2 LEU 84 - HE3 LYS 119 OK 14 87 - 16 - 4242/3.9=2, 1.8/5275=1...(7) HG LEU 55 - HE3 LYS 119 OK 10 100 - 10 - 8298/3.9=1 HG LEU 55 - HE2 LYS 119 OK 10 100 - 10 - 8298/3.9=1 HB2 ARG 81 - HE2 LYS 119 poor 9 76 - 12 - HB2 ARG 81 - HE3 LYS 119 poor 9 76 - 12 - HB ILE 22 - HE2 LYS 119 poor 8 73 - 11 - 2.9/8040=1, 5982/6.3=1 HB ILE 22 - HE3 LYS 119 poor 8 73 - 11 - 2.9/8040=1, 5982/6.3=1 HB VAL 50 - HE3 LYS 119 lone 5 100 - 5 - HB VAL 50 - HE2 LYS 119 lone 5 100 - 5 - HG3 PRO 68 - HE3 LYS 119 lone 3 92 - 3 - HB3 GLU 28 - HE2 LYS 119 lone 3 92 - 3 - HB3 GLU 28 - HE3 LYS 119 lone 3 92 - 3 - HG3 PRO 68 - HE2 LYS 119 lone 3 92 - 3 - HB2 GLU 28 - HE2 LYS 119 lone 3 85 - 3 - HB2 GLU 28 - HE3 LYS 119 lone 3 85 - 3 - HB2 ARG 92 - HE2 LYS 119 lone 3 98 - 3 - HB2 ARG 92 - HE3 LYS 119 lone 3 98 - 3 - HB3 GLU 73 - HE3 LYS 119 lone 1 68 - 2 - HB3 GLU 73 - HE2 LYS 119 lone 1 68 - 2 - Peak 5263 from cnoeabs.peaks (1.94, 2.86, 41.91 ppm; 4.11 A): 2 out of 30 assignments used, quality = 0.99: * HB3 LYS 119 + HE2 LYS 119 OK 92 100 - 92 - 4.9=59, 1.8/5208=13...(31) HB3 LYS 119 + HE3 LYS 119 OK 92 100 - 92 - 4.9=59, 1.8/5208=13...(31) HG LEU 58 - HE2 LYS 119 OK 24 97 - 25 - 2.1/8039=3, 3370/4.9=3...(11) HG LEU 58 - HE3 LYS 119 OK 24 97 - 25 - 2.1/8039=3, 3370/4.9=3...(11) HB3 PRO 30 - HE2 LYS 119 OK 24 100 - 24 - 5203/4.9=3, 5215/3.9=3...(9) HB3 PRO 30 - HE3 LYS 119 OK 24 100 - 24 - 5203/4.9=3, 5215/3.9=3...(9) HB ILE 80 - HE3 LYS 119 OK 19 81 - 24 - 3.0/7427=4, 2.1/8606=3...(10) HB ILE 80 - HE2 LYS 119 OK 19 81 - 24 - 3.0/7427=4, 2.1/8606=3...(10) HB2 LYS 109 - HE2 LYS 119 OK 17 99 - 17 - 5203/4.9=3, 4894/3.9=2...(7) HB2 LYS 109 - HE3 LYS 119 OK 17 99 - 17 - 5203/4.9=3, 4894/3.9=2...(7) HB2 LEU 21 - HE2 LYS 119 lone 8 89 - 9 - 1.8/8039=1 HB2 LEU 21 - HE3 LYS 119 lone 8 89 - 9 - 1.8/8039=1 HB2 GLU 38 - HE3 LYS 119 lone 4 100 - 4 - HB2 GLU 38 - HE2 LYS 119 lone 4 100 - 4 - HB3 GLU 69 - HE3 LYS 119 lone 4 100 - 3 - HB3 GLU 69 - HE2 LYS 119 lone 4 100 - 3 - HB2 ARG 85 - HE3 LYS 119 lone 3 100 - 3 - HB3 ARG 85 - HE3 LYS 119 lone 3 100 - 3 - HB3 ARG 85 - HE2 LYS 119 lone 3 100 - 3 - HB2 ARG 85 - HE2 LYS 119 lone 3 100 - 3 - HB2 GLU 64 - HE3 LYS 119 lone 3 99 - 3 - HB2 GLU 64 - HE2 LYS 119 lone 3 99 - 3 - HB3 GLU 64 - HE3 LYS 119 lone 3 99 - 3 - HB3 GLU 64 - HE2 LYS 119 lone 3 99 - 3 - HB3 MET 11 - HE2 LYS 119 lone 2 65 - 4 - 4.2/794=2 HB3 MET 11 - HE3 LYS 119 lone 2 65 - 4 - 4.2/794=1 HG LEU 45 - HE2 LYS 119 lone 2 63 - 3 - HG LEU 45 - HE3 LYS 119 lone 2 63 - 3 - HB3 GLU 94 - HE3 LYS 119 lone 2 97 - 2 - HB3 GLU 94 - HE2 LYS 119 lone 2 97 - 2 - Peak 5264 from cnoeabs.peaks (1.46, 2.86, 41.91 ppm; 3.38 A): 2 out of 32 assignments used, quality = 0.98: * HG2 LYS 119 + HE2 LYS 119 OK 86 100 - 86 - 3.9=65, 1.8/5265=9...(24) HG2 LYS 119 + HE3 LYS 119 OK 86 100 - 86 - 3.9=65, 1.8/5265=9...(24) HG3 LYS 31 - HE2 LYS 119 OK 23 100 - 23 - 5228=3, 5228/1.8=2...(8) HG3 LYS 31 - HE3 LYS 119 OK 23 100 - 23 - 5228=3, 5228/1.8=2...(8) HD2 LYS 46 - HE2 LYS 119 OK 20 100 - 20 - 2973/3.9=2, 2.9/5265=2...(11) HD2 LYS 46 - HE3 LYS 119 OK 20 100 - 20 - 2973/3.9=2, 2.9/5275=2...(11) HG3 ARG 57 - HE2 LYS 119 OK 14 99 - 14 - 3327/3.0=2, 3327/3.0=2...(4) HG3 ARG 57 - HE3 LYS 119 OK 14 99 - 14 - 3327/3.0=2, 3327/3.0=2...(4) HB3 LEU 58 - HE2 LYS 119 OK 11 65 - 16 - 3.1/8039=2, 3.0/5263=1...(6) HB3 LEU 58 - HE3 LYS 119 OK 11 65 - 16 - 3.1/8039=2, 3.0/5273=1...(6) HB3 LEU 101 - HE2 LYS 119 lone 8 81 - 10 - 3.1/8039=2, ~8039=1 HB3 LEU 101 - HE3 LYS 119 lone 8 81 - 10 - 3.1/8039=2, ~8039=1 HG2 LYS 109 - HE2 LYS 119 lone 7 83 - 9 - 5204/4.9=1 HG2 LYS 109 - HE3 LYS 119 lone 7 83 - 9 - 5204/4.9=1 HB2 LEU 93 - HE2 LYS 119 lone 7 100 - 7 - 3.1/8040=1 HB2 LEU 93 - HE3 LYS 119 lone 7 100 - 7 - 3.1/8040=1 QB ALA 14 - HE2 LYS 119 lone 5 100 - 5 - 6306/3.9=1 QB ALA 14 - HE3 LYS 119 lone 5 100 - 5 - 6306/3.9=1 HG LEU 91 - HE2 LYS 119 lone 3 60 - 5 - 2.1/8040=1 HG LEU 91 - HE3 LYS 119 lone 3 60 - 5 - 2.1/8040=1 HG LEU 24 - HE2 LYS 119 lone 3 97 - 3 - HG LEU 24 - HE3 LYS 119 lone 3 97 - 3 - HB3 LEU 45 - HE3 LYS 119 lone 2 97 - 2 - HB3 LEU 45 - HE2 LYS 119 lone 2 97 - 2 - HB3 GLU 75 - HE3 LYS 119 lone 2 97 - 2 - HB3 GLU 75 - HE2 LYS 119 lone 2 97 - 2 - QB ALA 89 - HE2 LYS 119 lone 2 83 - 2 - QB ALA 89 - HE3 LYS 119 lone 2 83 - 2 - HD2 LYS 65 - HE3 LYS 119 lone 1 89 - 1 - HD3 LYS 65 - HE3 LYS 119 lone 1 89 - 1 - HD2 LYS 65 - HE2 LYS 119 lone 1 89 - 1 - HD3 LYS 65 - HE2 LYS 119 lone 1 89 - 1 - Peak 5265 from cnoeabs.peaks (1.32, 2.86, 41.91 ppm; 3.42 A): 2 out of 18 assignments used, quality = 0.99: * HG3 LYS 119 + HE2 LYS 119 OK 89 100 - 89 - 3.9=67, 1.8/5264=8...(30) HG3 LYS 119 + HE3 LYS 119 OK 89 100 - 89 - 3.9=67, 1.8/5264=8...(30) HG2 LYS 46 - HE2 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HG3 LYS 46 - HE2 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HG3 LYS 46 - HE3 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HG2 LYS 46 - HE3 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HB3 LEU 84 - HE2 LYS 119 OK 10 97 - 10 - 5205/4.9=1, 5225/3.9=1 HB3 LEU 84 - HE3 LYS 119 OK 10 97 - 10 - 5205/4.9=1, 5225/3.9=1 HB3 LEU 59 - HE2 LYS 119 poor 9 68 - 13 - 3.7/5921=1, 3.2/8040=1 HB3 LEU 59 - HE3 LYS 119 poor 8 68 - 13 - 3.7/5921=1, 3.2/8040=1 QG2 THR 17 - HE3 LYS 119 lone 3 98 - 3 - QG2 THR 17 - HE2 LYS 119 lone 3 98 - 3 - QG2 THR 23 - HE3 LYS 119 lone 3 100 - 3 - QG2 THR 23 - HE2 LYS 119 lone 3 100 - 3 - HG CYS 87 - HE2 LYS 119 lone 2 99 - 2 - HG CYS 87 - HE3 LYS 119 lone 2 99 - 2 - QB ALA 43 - HE2 LYS 119 lone 2 93 - 2 - QB ALA 43 - HE3 LYS 119 lone 2 93 - 2 - Peak 5266 from cnoeabs.peaks (1.60, 2.86, 41.91 ppm; 2.81 A): 4 out of 34 assignments used, quality = 1.00: * HD2 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD2 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD3 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD3 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD2 LYS 32 - HE2 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD3 LYS 32 - HE2 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD3 LYS 32 - HE3 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD2 LYS 32 - HE3 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD2 LYS 31 - HE2 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HD3 LYS 31 - HE2 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HD2 LYS 31 - HE3 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HD3 LYS 31 - HE3 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HG2 PRO 30 - HE2 LYS 119 lone 8 89 - 9 - HG2 PRO 30 - HE3 LYS 119 lone 8 89 - 9 - HG2 ARG 57 - HE2 LYS 119 lone 8 90 - 8 - HG2 ARG 57 - HE3 LYS 119 lone 8 90 - 8 - HG LEU 101 - HE2 LYS 119 lone 5 76 - 6 - 2.1/8039=2, ~8039=1 HG LEU 101 - HE3 LYS 119 lone 5 76 - 6 - 2.1/8039=2, ~8039=1 HB2 LEU 59 - HE2 LYS 119 lone 5 63 - 7 - HB2 LEU 59 - HE3 LYS 119 lone 4 63 - 7 - HG12 ILE 63 - HE3 LYS 119 lone 3 99 - 3 - HG12 ILE 63 - HE2 LYS 119 lone 3 99 - 3 - HG2 ARG 81 - HE2 LYS 119 lone 3 90 - 3 - HG3 ARG 81 - HE2 LYS 119 lone 3 90 - 3 - HG3 ARG 81 - HE3 LYS 119 lone 3 90 - 3 - HG2 ARG 81 - HE3 LYS 119 lone 3 90 - 3 - HG LEU 126 - HE2 LYS 119 lone 1 100 - 1 - HG LEU 126 - HE3 LYS 119 lone 1 100 - 1 - HB2 LEU 126 - HE3 LYS 119 lone 1 99 - 1 - HB2 LEU 126 - HE2 LYS 119 lone 1 99 - 1 - HB3 LEU 126 - HE3 LYS 119 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 119 lone 1 99 - 1 - HG2 ARG 53 - HE3 LYS 119 lone 1 93 - 1 - HG2 ARG 53 - HE2 LYS 119 lone 1 93 - 1 - Peak 5267 from cnoeabs.peaks (1.60, 2.86, 41.91 ppm; 2.81 A): 4 out of 34 assignments used, quality = 1.00: * HD3 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD2 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD3 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD2 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5265=4...(11) HD3 LYS 32 - HE2 LYS 119 OK 10 95 - 11 - 2.9/8606=1 HD2 LYS 32 - HE2 LYS 119 OK 10 95 - 11 - 2.9/8606=1 HD3 LYS 32 - HE3 LYS 119 OK 10 94 - 11 - 2.9/8606=1 HD2 LYS 32 - HE3 LYS 119 OK 10 94 - 11 - 2.9/8606=1 HD2 LYS 31 - HE2 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HD3 LYS 31 - HE2 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HD2 LYS 31 - HE3 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HD3 LYS 31 - HE3 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HG2 PRO 30 - HE2 LYS 119 lone 8 90 - 9 - HG2 PRO 30 - HE3 LYS 119 lone 8 90 - 9 - HG2 ARG 57 - HE2 LYS 119 lone 7 89 - 8 - HG2 ARG 57 - HE3 LYS 119 lone 7 89 - 8 - HG LEU 101 - HE2 LYS 119 lone 5 78 - 6 - 2.1/8039=2, ~8039=1 HG LEU 101 - HE3 LYS 119 lone 5 78 - 6 - 2.1/8039=2, ~8039=1 HB2 LEU 59 - HE2 LYS 119 lone 5 65 - 7 - HB2 LEU 59 - HE3 LYS 119 lone 5 65 - 7 - HG12 ILE 63 - HE3 LYS 119 lone 3 100 - 3 - HG12 ILE 63 - HE2 LYS 119 lone 3 100 - 3 - HG2 ARG 81 - HE2 LYS 119 lone 3 89 - 3 - HG3 ARG 81 - HE2 LYS 119 lone 3 89 - 3 - HG3 ARG 81 - HE3 LYS 119 lone 3 89 - 3 - HG2 ARG 81 - HE3 LYS 119 lone 3 89 - 3 - HG LEU 126 - HE3 LYS 119 lone 1 100 - 1 - HG LEU 126 - HE2 LYS 119 lone 1 100 - 1 - HB2 LEU 126 - HE3 LYS 119 lone 1 100 - 1 - HB2 LEU 126 - HE2 LYS 119 lone 1 100 - 1 - HB3 LEU 126 - HE3 LYS 119 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 119 lone 1 99 - 1 - HG2 ARG 53 - HE3 LYS 119 lone 1 94 - 1 - HG2 ARG 53 - HE2 LYS 119 lone 1 95 - 1 - Peak 5268 from cnoeabs.peaks (2.86, 2.86, 41.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 119 + HE2 LYS 119 OK 100 100 - 100 HE3 LYS 119 + HE3 LYS 119 OK 100 100 - 100 Peak 5269 from cnoeabs.peaks (2.86, 2.86, 41.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 119 + HE3 LYS 119 OK 100 100 - 100 HE2 LYS 119 + HE2 LYS 119 OK 100 100 - 100 Reference assignment not found: HE3 LYS 119 - HE2 LYS 119 Peak 5270 from cnoeabs.peaks (7.60, 2.86, 41.91 ppm; 4.92 A): 2 out of 12 assignments used, quality = 0.97: * H LYS 119 + HE3 LYS 119 OK 81 100 - 81 - 7.3=31, 5200/4.9=16...(19) H LYS 119 + HE2 LYS 119 OK 81 100 - 81 - 7.3=31, 5200/4.9=16...(19) H ARG 57 - HE3 LYS 119 OK 37 100 - 37 - 5200/4.9=6, 5220/3.9=6...(9) H ARG 57 - HE2 LYS 119 OK 37 100 - 37 - 5200/4.9=6, 5220/3.9=6...(9) HD21 ASN 12 - HE2 LYS 119 OK 24 83 - 28 - 650/1.8=3, 5200/4.9=3...(15) HD21 ASN 12 - HE3 LYS 119 OK 24 83 - 28 - 650/1.8=3, 5200/4.9=3...(15) H CYS 52 - HE3 LYS 119 OK 16 71 - 22 - 6946=3, 6946/1.8=3...(8) H CYS 52 - HE2 LYS 119 OK 16 71 - 22 - 6946/1.8=3, 6946=3...(8) H SER 113 - HE3 LYS 119 OK 14 87 - 16 - 5200/4.9=2, 5220/3.9=2...(9) H SER 113 - HE2 LYS 119 OK 13 87 - 16 - 5200/4.9=2, 5220/3.9=2...(9) H GLU 56 - HE3 LYS 119 OK 12 71 - 17 - 5200/4.9=2, 5220/3.9=2...(7) H GLU 56 - HE2 LYS 119 OK 12 71 - 17 - 5200/4.9=2, 5220/3.9=2...(7) Peak 5271 from cnoeabs.peaks (3.83, 2.86, 41.91 ppm; 4.06 A): 3 out of 28 assignments used, quality = 0.97: * HA LYS 119 + HE3 LYS 119 OK 78 100 - 78 - 6.3=26, 3.0/5208=10...(24) HA LYS 119 + HE2 LYS 119 OK 78 100 - 78 - 6.3=26, 3.0/5208=10...(24) HA THR 116 + HE3 LYS 119 OK 45 100 - 45 - 3.2/8170=8, ~8170=6...(13) HA THR 116 - HE2 LYS 119 OK 45 100 - 45 - 3.2/8170=8, ~8170=6...(13) HA THR 19 - HE3 LYS 119 OK 15 97 - 15 - 5201/4.9=2, 6253/4.9=2...(8) HA THR 19 - HE2 LYS 119 OK 15 97 - 15 - 5201/4.9=2, 6253/4.9=2...(8) HA LEU 77 - HE3 LYS 119 lone 8 100 - 8 - 6108/4.9=1, 5201/4.9=1 HA LEU 77 - HE2 LYS 119 lone 8 100 - 8 - 6108/4.9=1, 5201/4.9=1 HB3 SER 29 - HE3 LYS 119 lone 7 83 - 8 - HB3 SER 29 - HE2 LYS 119 lone 7 83 - 8 - HB2 SER 29 - HE3 LYS 119 lone 6 81 - 8 - HB2 SER 29 - HE2 LYS 119 lone 6 81 - 8 - HA GLU 15 - HE3 LYS 119 lone 6 89 - 6 - 8187/3.9=2 HA GLU 15 - HE2 LYS 119 lone 5 89 - 6 - 8187/3.9=2 HA3 GLY 88 - HE3 LYS 119 lone 4 85 - 5 - HA3 GLY 88 - HE2 LYS 119 lone 4 85 - 5 - HA2 GLY 88 - HE3 LYS 119 lone 3 76 - 4 - HA2 GLY 88 - HE2 LYS 119 lone 3 76 - 4 - HA THR 33 - HE3 LYS 119 lone 2 63 - 3 - HA THR 33 - HE2 LYS 119 lone 2 63 - 3 - HA3 GLY 39 - HE3 LYS 119 lone 2 68 - 3 - HA3 GLY 39 - HE2 LYS 119 lone 2 68 - 3 - HB THR 33 - HE3 LYS 119 lone 2 60 - 3 - HB THR 33 - HE2 LYS 119 lone 2 60 - 3 - HB2 SER 35 - HE3 LYS 119 lone 1 73 - 2 - HB2 SER 35 - HE2 LYS 119 lone 1 73 - 2 - HA3 GLY 104 - HE3 LYS 119 lone 1 76 - 1 - HA3 GLY 104 - HE2 LYS 119 lone 1 76 - 1 - Peak 5272 from cnoeabs.peaks (1.88, 2.86, 41.91 ppm; 4.42 A): 2 out of 30 assignments used, quality = 1.00: * HB2 LYS 119 + HE3 LYS 119 OK 96 100 - 96 - 4.9=74, 5208/1.8=15...(33) HB2 LYS 119 + HE2 LYS 119 OK 96 100 - 96 - 4.9=74, 5208/1.8=15...(33) HB3 LYS 31 - HE2 LYS 119 OK 36 100 - 36 - 2420/3.9=5, 2.9/5228=3...(17) HB3 LYS 31 - HE3 LYS 119 OK 36 100 - 36 - 2420/3.9=5, 2.9/5228=3...(17) HB2 LEU 58 - HE3 LYS 119 OK 27 95 - 28 - 3.1/8039=3, 3358/4.9=2...(15) HB2 LEU 58 - HE2 LYS 119 OK 27 94 - 28 - 3.1/8039=3, 3358/4.9=2...(15) HG LEU 84 - HE3 LYS 119 OK 17 100 - 17 - 4256/3.9=4, ~8517=2...(7) HG LEU 84 - HE2 LYS 119 OK 17 100 - 17 - 4256/3.9=4, ~8517=2...(7) HB3 LYS 109 - HE3 LYS 119 OK 15 85 - 18 - 4902/4.9=2, 4904/3.9=2...(7) HB3 LYS 109 - HE2 LYS 119 OK 15 85 - 18 - 4902/4.9=2, 4904/3.9=2...(7) HB2 LEU 84 - HE3 LYS 119 OK 14 87 - 16 - 4242/3.9=2, 1.8/5275=1...(7) HB2 LEU 84 - HE2 LYS 119 OK 14 87 - 16 - 4242/3.9=2, 1.8/5265=1...(7) HG LEU 55 - HE3 LYS 119 OK 10 100 - 10 - 8298/3.9=1 HG LEU 55 - HE2 LYS 119 OK 10 100 - 10 - 8298/3.9=1 HB2 ARG 81 - HE3 LYS 119 poor 9 76 - 12 - HB2 ARG 81 - HE2 LYS 119 poor 9 76 - 12 - HB ILE 22 - HE3 LYS 119 poor 8 73 - 11 - 2.9/8040=1, 5982/6.3=1 HB ILE 22 - HE2 LYS 119 poor 8 73 - 11 - 2.9/8040=1, 5982/6.3=1 HB VAL 50 - HE3 LYS 119 lone 5 100 - 5 - HB VAL 50 - HE2 LYS 119 lone 5 100 - 5 - HG3 PRO 68 - HE3 LYS 119 lone 3 92 - 3 - HG3 PRO 68 - HE2 LYS 119 lone 3 92 - 3 - HB3 GLU 28 - HE3 LYS 119 lone 3 92 - 3 - HB3 GLU 28 - HE2 LYS 119 lone 3 92 - 3 - HB2 GLU 28 - HE3 LYS 119 lone 3 85 - 3 - HB2 GLU 28 - HE2 LYS 119 lone 3 85 - 3 - HB2 ARG 92 - HE3 LYS 119 lone 3 98 - 3 - HB2 ARG 92 - HE2 LYS 119 lone 3 98 - 3 - HB3 GLU 73 - HE3 LYS 119 lone 1 68 - 2 - HB3 GLU 73 - HE2 LYS 119 lone 1 68 - 2 - Peak 5273 from cnoeabs.peaks (1.94, 2.86, 41.91 ppm; 4.11 A): 2 out of 30 assignments used, quality = 0.99: * HB3 LYS 119 + HE3 LYS 119 OK 92 100 - 92 - 4.9=59, 1.8/5208=13...(31) HB3 LYS 119 + HE2 LYS 119 OK 92 100 - 92 - 4.9=59, 1.8/5208=13...(31) HG LEU 58 - HE3 LYS 119 OK 24 97 - 25 - 2.1/8039=3, 3370/4.9=3...(11) HG LEU 58 - HE2 LYS 119 OK 24 97 - 25 - 2.1/8039=3, 3370/4.9=3...(11) HB3 PRO 30 - HE3 LYS 119 OK 24 100 - 24 - 5203/4.9=3, 5215/3.9=3...(9) HB3 PRO 30 - HE2 LYS 119 OK 24 100 - 24 - 5203/4.9=3, 5215/3.9=3...(9) HB ILE 80 - HE3 LYS 119 OK 19 81 - 24 - 3.0/7427=4, 2.1/8606=3...(10) HB ILE 80 - HE2 LYS 119 OK 19 81 - 24 - 3.0/7427=4, 2.1/8606=3...(10) HB2 LYS 109 - HE3 LYS 119 OK 17 99 - 17 - 5203/4.9=3, 4894/3.9=2...(7) HB2 LYS 109 - HE2 LYS 119 OK 17 99 - 17 - 5203/4.9=3, 4894/3.9=2...(7) HB2 LEU 21 - HE3 LYS 119 lone 8 89 - 9 - 1.8/8039=1 HB2 LEU 21 - HE2 LYS 119 lone 8 89 - 9 - 1.8/8039=1 HB2 GLU 38 - HE3 LYS 119 lone 4 100 - 4 - HB2 GLU 38 - HE2 LYS 119 lone 4 100 - 4 - HB3 GLU 69 - HE3 LYS 119 lone 4 100 - 4 - HB3 GLU 69 - HE2 LYS 119 lone 4 100 - 3 - HB3 ARG 85 - HE3 LYS 119 lone 3 100 - 3 - HB2 ARG 85 - HE3 LYS 119 lone 3 100 - 3 - HB3 ARG 85 - HE2 LYS 119 lone 3 100 - 3 - HB2 ARG 85 - HE2 LYS 119 lone 3 100 - 3 - HB2 GLU 64 - HE3 LYS 119 lone 3 99 - 3 - HB2 GLU 64 - HE2 LYS 119 lone 3 99 - 3 - HB3 GLU 64 - HE3 LYS 119 lone 3 99 - 3 - HB3 GLU 64 - HE2 LYS 119 lone 3 99 - 3 - HB3 MET 11 - HE2 LYS 119 lone 2 65 - 4 - 4.2/794=2 HB3 MET 11 - HE3 LYS 119 lone 2 65 - 4 - 4.2/794=1 HG LEU 45 - HE3 LYS 119 lone 2 63 - 3 - HG LEU 45 - HE2 LYS 119 lone 2 63 - 3 - HB3 GLU 94 - HE3 LYS 119 lone 2 97 - 2 - HB3 GLU 94 - HE2 LYS 119 lone 2 97 - 2 - Peak 5274 from cnoeabs.peaks (1.46, 2.86, 41.91 ppm; 3.38 A): 2 out of 32 assignments used, quality = 0.98: * HG2 LYS 119 + HE3 LYS 119 OK 86 100 - 86 - 3.9=65, 1.8/5275=9...(24) HG2 LYS 119 + HE2 LYS 119 OK 86 100 - 86 - 3.9=65, 1.8/5275=9...(24) HG3 LYS 31 - HE3 LYS 119 OK 23 100 - 23 - 5228=3, 5228/1.8=2...(8) HG3 LYS 31 - HE2 LYS 119 OK 23 100 - 23 - 5228=3, 5228/1.8=2...(8) HD2 LYS 46 - HE3 LYS 119 OK 20 100 - 20 - 2973/3.9=2, 2.9/5275=2...(11) HD2 LYS 46 - HE2 LYS 119 OK 20 100 - 20 - 2973/3.9=2, 2.9/5265=2...(11) HG3 ARG 57 - HE3 LYS 119 OK 14 99 - 14 - 3327/3.0=2, 3327/3.0=2...(4) HG3 ARG 57 - HE2 LYS 119 OK 14 99 - 14 - 3327/3.0=2, 3327/3.0=2...(4) HB3 LEU 58 - HE3 LYS 119 OK 11 65 - 16 - 3.1/8039=2, 3.0/5273=1...(6) HB3 LEU 58 - HE2 LYS 119 OK 11 65 - 16 - 3.1/8039=2, 3.0/5263=1...(6) HB3 LEU 101 - HE3 LYS 119 lone 8 81 - 10 - 3.1/8039=2, ~8039=1 HB3 LEU 101 - HE2 LYS 119 lone 8 81 - 10 - 3.1/8039=2, ~8039=1 HG2 LYS 109 - HE3 LYS 119 lone 7 83 - 9 - 5204/4.9=1 HG2 LYS 109 - HE2 LYS 119 lone 7 83 - 9 - 5204/4.9=1 HB2 LEU 93 - HE3 LYS 119 lone 7 100 - 7 - 3.1/8040=1 HB2 LEU 93 - HE2 LYS 119 lone 7 100 - 7 - 3.1/8040=1 QB ALA 14 - HE3 LYS 119 lone 5 100 - 5 - 6306/3.9=1 QB ALA 14 - HE2 LYS 119 lone 5 100 - 5 - 6306/3.9=1 HG LEU 91 - HE3 LYS 119 lone 3 60 - 5 - 2.1/8040=1 HG LEU 91 - HE2 LYS 119 lone 3 60 - 5 - 2.1/8040=1 HG LEU 24 - HE3 LYS 119 lone 3 97 - 3 - HG LEU 24 - HE2 LYS 119 lone 3 97 - 3 - HB3 LEU 45 - HE3 LYS 119 lone 2 97 - 2 - HB3 LEU 45 - HE2 LYS 119 lone 2 97 - 2 - HB3 GLU 75 - HE3 LYS 119 lone 2 97 - 2 - HB3 GLU 75 - HE2 LYS 119 lone 2 97 - 2 - QB ALA 89 - HE3 LYS 119 lone 2 83 - 2 - QB ALA 89 - HE2 LYS 119 lone 2 83 - 2 - HD2 LYS 65 - HE3 LYS 119 lone 1 89 - 1 - HD3 LYS 65 - HE3 LYS 119 lone 1 89 - 1 - HD2 LYS 65 - HE2 LYS 119 lone 1 89 - 1 - HD3 LYS 65 - HE2 LYS 119 lone 1 89 - 1 - Peak 5275 from cnoeabs.peaks (1.32, 2.86, 41.91 ppm; 3.42 A): 2 out of 18 assignments used, quality = 0.99: * HG3 LYS 119 + HE3 LYS 119 OK 89 100 - 89 - 3.9=67, 1.8/5264=8...(30) HG3 LYS 119 + HE2 LYS 119 OK 89 100 - 89 - 3.9=67, 1.8/5264=8...(30) HG2 LYS 46 - HE3 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HG3 LYS 46 - HE3 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HG2 LYS 46 - HE2 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HG3 LYS 46 - HE2 LYS 119 OK 29 98 - 30 - 5225/3.9=3, 5238=3...(14) HB3 LEU 84 - HE3 LYS 119 OK 10 97 - 10 - 5205/4.9=1, 5225/3.9=1 HB3 LEU 84 - HE2 LYS 119 OK 10 97 - 10 - 5205/4.9=1, 5225/3.9=1 HB3 LEU 59 - HE3 LYS 119 poor 9 68 - 13 - 3.7/5921=1, 3.2/8040=1 HB3 LEU 59 - HE2 LYS 119 poor 8 68 - 13 - 3.7/5921=1, 3.2/8040=1 QG2 THR 17 - HE3 LYS 119 lone 3 98 - 3 - QG2 THR 17 - HE2 LYS 119 lone 3 98 - 3 - QG2 THR 23 - HE3 LYS 119 lone 3 100 - 3 - QG2 THR 23 - HE2 LYS 119 lone 3 100 - 3 - HG CYS 87 - HE3 LYS 119 lone 2 99 - 2 - HG CYS 87 - HE2 LYS 119 lone 2 99 - 2 - QB ALA 43 - HE3 LYS 119 lone 2 93 - 2 - QB ALA 43 - HE2 LYS 119 lone 2 93 - 2 - Peak 5276 from cnoeabs.peaks (1.60, 2.86, 41.91 ppm; 2.81 A): 4 out of 34 assignments used, quality = 1.00: * HD2 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD2 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD3 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD3 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD2 LYS 32 - HE3 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD3 LYS 32 - HE3 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD3 LYS 32 - HE2 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD2 LYS 32 - HE2 LYS 119 OK 10 93 - 11 - 2.9/8606=1 HD2 LYS 31 - HE3 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HD3 LYS 31 - HE3 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HD2 LYS 31 - HE2 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HD3 LYS 31 - HE2 LYS 119 poor 8 71 - 12 - 3.0/5228=1 HG2 PRO 30 - HE3 LYS 119 lone 8 89 - 9 - HG2 PRO 30 - HE2 LYS 119 lone 8 89 - 9 - HG2 ARG 57 - HE3 LYS 119 lone 8 90 - 8 - HG2 ARG 57 - HE2 LYS 119 lone 8 90 - 8 - HG LEU 101 - HE3 LYS 119 lone 5 76 - 6 - 2.1/8039=2, ~8039=1 HG LEU 101 - HE2 LYS 119 lone 5 76 - 6 - 2.1/8039=2, ~8039=1 HB2 LEU 59 - HE3 LYS 119 lone 5 63 - 7 - HB2 LEU 59 - HE2 LYS 119 lone 4 63 - 7 - HG12 ILE 63 - HE3 LYS 119 lone 3 99 - 3 - HG12 ILE 63 - HE2 LYS 119 lone 3 99 - 3 - HG2 ARG 81 - HE3 LYS 119 lone 3 90 - 3 - HG3 ARG 81 - HE3 LYS 119 lone 3 90 - 3 - HG2 ARG 81 - HE2 LYS 119 lone 3 90 - 3 - HG3 ARG 81 - HE2 LYS 119 lone 3 90 - 3 - HG LEU 126 - HE3 LYS 119 lone 1 100 - 1 - HG LEU 126 - HE2 LYS 119 lone 1 100 - 1 - HB2 LEU 126 - HE3 LYS 119 lone 1 99 - 1 - HB2 LEU 126 - HE2 LYS 119 lone 1 99 - 1 - HB3 LEU 126 - HE3 LYS 119 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 119 lone 1 99 - 1 - HG2 ARG 53 - HE3 LYS 119 lone 1 93 - 1 - HG2 ARG 53 - HE2 LYS 119 lone 1 93 - 1 - Peak 5277 from cnoeabs.peaks (1.60, 2.86, 41.91 ppm; 2.81 A): 4 out of 34 assignments used, quality = 1.00: * HD3 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD2 LYS 119 + HE3 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD3 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD2 LYS 119 + HE2 LYS 119 OK 90 100 - 90 - 3.0=86, 3.0/5275=4...(11) HD2 LYS 32 - HE3 LYS 119 OK 10 95 - 11 - 2.9/8606=1 HD3 LYS 32 - HE3 LYS 119 OK 10 95 - 11 - 2.9/8606=1 HD3 LYS 32 - HE2 LYS 119 OK 10 94 - 11 - 2.9/8606=1 HD2 LYS 32 - HE2 LYS 119 OK 10 94 - 11 - 2.9/8606=1 HD2 LYS 31 - HE3 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HD3 LYS 31 - HE3 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HD2 LYS 31 - HE2 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HD3 LYS 31 - HE2 LYS 119 poor 8 73 - 12 - 3.0/5228=1 HG2 PRO 30 - HE3 LYS 119 lone 8 90 - 9 - HG2 PRO 30 - HE2 LYS 119 lone 8 90 - 9 - HG2 ARG 57 - HE3 LYS 119 lone 7 89 - 8 - HG2 ARG 57 - HE2 LYS 119 lone 7 89 - 8 - HG LEU 101 - HE3 LYS 119 lone 5 78 - 6 - 2.1/8039=2, ~8039=1 HG LEU 101 - HE2 LYS 119 lone 5 78 - 6 - 2.1/8039=2, ~8039=1 HB2 LEU 59 - HE3 LYS 119 lone 5 65 - 7 - HB2 LEU 59 - HE2 LYS 119 lone 5 65 - 7 - HG12 ILE 63 - HE3 LYS 119 lone 3 100 - 3 - HG12 ILE 63 - HE2 LYS 119 lone 3 100 - 3 - HG2 ARG 81 - HE3 LYS 119 lone 3 89 - 3 - HG3 ARG 81 - HE3 LYS 119 lone 3 89 - 3 - HG2 ARG 81 - HE2 LYS 119 lone 3 89 - 3 - HG3 ARG 81 - HE2 LYS 119 lone 3 89 - 3 - HG LEU 126 - HE2 LYS 119 lone 1 100 - 1 - HG LEU 126 - HE3 LYS 119 lone 1 100 - 1 - HB2 LEU 126 - HE3 LYS 119 lone 1 100 - 1 - HB2 LEU 126 - HE2 LYS 119 lone 1 100 - 1 - HB3 LEU 126 - HE3 LYS 119 lone 1 99 - 1 - HB3 LEU 126 - HE2 LYS 119 lone 1 99 - 1 - HG2 ARG 53 - HE3 LYS 119 lone 1 95 - 1 - HG2 ARG 53 - HE2 LYS 119 lone 1 94 - 1 - Peak 5278 from cnoeabs.peaks (2.86, 2.86, 41.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 119 + HE3 LYS 119 OK 100 100 - 100 HE2 LYS 119 + HE2 LYS 119 OK 100 100 - 100 Reference assignment not found: HE2 LYS 119 - HE3 LYS 119 Peak 5279 from cnoeabs.peaks (2.86, 2.86, 41.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 119 + HE3 LYS 119 OK 100 100 - 100 HE2 LYS 119 + HE2 LYS 119 OK 100 100 - 100 Peak 5280 from cnoeabs.peaks (8.65, 4.08, 64.53 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 120 + HA VAL 120 OK 100 100 - 100 - 3.0=100 H LEU 117 + HA VAL 120 OK 53 97 - 55 - 5295/3.2=10, 5290/3.2=9...(17) H LEU 59 - HA VAL 120 OK 28 90 - 31 - 7087/3.2=6, 7071=5...(11) H ASN 106 - HA VAL 120 poor 10 89 - 11 - 3.6/8065=2, 4.8/5282=2...(7) H ASN 12 - HA VAL 120 lone 4 85 - 5 - Peak 5281 from cnoeabs.peaks (4.08, 4.08, 64.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 120 + HA VAL 120 OK 100 100 - 100 Peak 5282 from cnoeabs.peaks (2.30, 4.08, 64.53 ppm; 3.20 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 120 + HA VAL 120 OK 100 100 - 100 - 3.0=100 HG2 GLN 105 - HA VAL 120 OK 18 92 - 19 - 1393/3.0=3, 5292/3.2=2...(10) HG3 GLN 105 - HA VAL 120 OK 17 90 - 19 - 1393/3.0=3, 5292/3.2=2...(12) HB3 PRO 60 - HA VAL 120 OK 14 78 - 17 - 5286=3, 5292/3.2=2...(6) HG3 GLU 56 - HA VAL 120 lone 8 87 - 9 - 1393/3.0=2, 4.9/6275=1...(5) HG2 GLN 16 - HA VAL 120 lone 4 99 - 4 - HB2 CYS 87 - HA VAL 120 lone 2 60 - 4 - HG3 GLU 94 - HA VAL 120 lone 1 60 - 1 - Peak 5283 from cnoeabs.peaks (1.03, 4.08, 64.53 ppm; 3.08 A): 1 out of 6 assignments used, quality = 0.95: * QG1 VAL 120 + HA VAL 120 OK 95 100 - 95 - 3.2=89, 2.1/5296=20...(10) QD1 LEU 58 - HA VAL 120 OK 18 60 - 31 - 1394/3.0=3, 3.1/7057=2...(17) HB3 LEU 27 - HA VAL 120 OK 15 73 - 20 - 622/3.6=3, 5298/3.2=3...(9) QD2 LEU 101 - HA VAL 120 OK 14 100 - 14 - 5298/3.2=3, 1394/3.0=2...(4) HB3 LEU 21 - HA VAL 120 OK 12 85 - 14 - 5288/3.0=2, 5298/3.2=2...(5) QG2 THR 33 - HA VAL 120 lone 3 81 - 3 - Peak 5284 from cnoeabs.peaks (1.12, 4.08, 64.53 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 120 + HA VAL 120 OK 100 100 - 100 - 3.2=100 QD2 LEU 117 - HA VAL 120 OK 41 96 - 43 - 1395/3.0=7, 5294/3.2=6...(18) QG2 THR 62 - HA VAL 120 OK 17 93 - 19 - 1395/3.0=3, 5289/3.0=3...(9) QG2 VAL 50 - HA VAL 120 OK 12 96 - 12 - 1395/3.0=2, 5294/3.2=2...(4) Peak 5285 from cnoeabs.peaks (8.65, 2.30, 31.75 ppm; 3.45 A): 2 out of 10 assignments used, quality = 0.96: * H VAL 120 + HB VAL 120 OK 91 100 - 91 - 3.8=76, 1394/2.1=21...(10) H LEU 117 + HB VAL 120 OK 56 97 - 58 - 5295/2.1=13, 3.0/6258=12...(12) H LEU 59 - HB3 PRO 60 OK 24 50 - 48 - 7073/3.0=14, 7072/3.0=9...(6) H LEU 59 - HB VAL 120 OK 24 90 - 26 - 7087/2.1=7, 5290/2.1=5...(7) H ASN 106 - HB VAL 120 OK 11 89 - 12 - 5290/2.1=2, 527=2...(5) H VAL 120 - HB3 PRO 60 OK 10 61 - 17 - 1393=4, 7093/3.0=3...(7) H LEU 117 - HB3 PRO 60 poor 7 56 - 12 - 7093/3.0=3, 3.0/6258=2...(4) H ASN 12 - HB VAL 120 lone 4 85 - 5 - 5290/2.1=1, 5295/2.1=1 H ASN 106 - HB3 PRO 60 lone 2 48 - 4 - H ASN 12 - HB3 PRO 60 lone 2 45 - 3 - Peak 5286 from cnoeabs.peaks (4.08, 2.30, 31.75 ppm; 3.28 A): 1 out of 12 assignments used, quality = 1.00: * HA VAL 120 + HB VAL 120 OK 100 100 - 100 - 3.0=100 HA LYS 31 - HB VAL 120 OK 21 100 - 21 - 5296/2.1=5, 5291/2.1=5...(8) HA LEU 55 - HB VAL 120 OK 12 68 - 17 - 7009/2.1=4, 5291/2.1=3...(5) HA VAL 120 - HB3 PRO 60 OK 11 61 - 19 - 5282=4, 3.2/5292=2...(6) HA LEU 24 - HB VAL 120 lone 5 93 - 5 - 5291/2.1=1, 5296/2.1=1 HA LEU 55 - HB3 PRO 60 poor 5 35 - 14 - 3.6/1036=4, 3.0/245=2...(4) HA SER 112 - HB VAL 120 lone 4 73 - 6 - 5296/2.1=1, 620/4.4=1 HA SER 44 - HB VAL 120 lone 4 92 - 4 - HA LYS 31 - HB3 PRO 60 lone 1 61 - 1 - HA LEU 24 - HB3 PRO 60 lone 0 52 - 1 - HA SER 44 - HB3 PRO 60 lone 0 51 - 1 - HA SER 112 - HB3 PRO 60 lone 0 38 - 1 - Peak 5287 from cnoeabs.peaks (2.30, 2.30, 31.75 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 120 + HB VAL 120 OK 100 100 - 100 HB3 PRO 60 - HB3 PRO 60 OK 41 41 - 100 Peak 5288 from cnoeabs.peaks (1.03, 2.30, 31.75 ppm; 3.05 A): 1 out of 12 assignments used, quality = 1.00: * QG1 VAL 120 + HB VAL 120 OK 100 100 - 100 - 2.1=100 HB3 LEU 27 - HB VAL 120 OK 16 73 - 22 - 5298/2.1=4, 5283/3.0=2...(11) QD2 LEU 101 - HB VAL 120 OK 16 100 - 16 - 5298/2.1=4, 5283/3.0=2...(8) HB3 LEU 21 - HB VAL 120 OK 14 85 - 16 - 5298/2.1=3, 5283/3.0=2...(7) QD1 LEU 58 - HB VAL 120 OK 12 60 - 21 - 5283/3.0=3, 5298/2.1=3...(9) QG1 VAL 120 - HB3 PRO 60 OK 10 61 - 17 - 5292=4, 2.1/5297=2...(5) QG2 THR 33 - HB VAL 120 lone 3 81 - 3 - QD2 LEU 101 - HB3 PRO 60 lone 2 61 - 3 - QD1 LEU 58 - HB3 PRO 60 lone 1 30 - 3 - 4.9/5285=1 HB3 LEU 27 - HB3 PRO 60 lone 1 38 - 2 - HB3 LEU 21 - HB3 PRO 60 lone 0 45 - 1 - QG2 THR 33 - HB3 PRO 60 lone 0 42 - 0 - Peak 5289 from cnoeabs.peaks (1.12, 2.30, 31.75 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 120 + HB VAL 120 OK 100 100 - 100 - 2.1=100 QD2 LEU 117 - HB VAL 120 OK 43 96 - 45 - 3.8/6258=8, 5294/2.1=8...(15) QG2 THR 62 - HB VAL 120 OK 22 93 - 23 - 5294/2.1=3, 3.2/6259=3...(10) QG2 VAL 50 - HB VAL 120 OK 12 96 - 13 - 5294/2.1=2, 5284/3.0=2...(5) QG2 VAL 120 - HB3 PRO 60 OK 11 61 - 19 - 5297=4, 2.1/5292=3...(5) QG2 THR 62 - HB3 PRO 60 poor 5 52 - 10 - 4.0/7099=3, 4.0/7134=2 QD2 LEU 117 - HB3 PRO 60 lone 4 55 - 8 - 3.8/6258=1, ~7091=1, ~8645=1 QG2 VAL 50 - HB3 PRO 60 lone 1 55 - 2 - Peak 5290 from cnoeabs.peaks (8.65, 1.03, 21.06 ppm; 3.19 A): 2 out of 5 assignments used, quality = 0.94: * H VAL 120 + QG1 VAL 120 OK 84 100 - 84 - 4.0=50, 3.0/5291=18...(14) H LEU 117 + QG1 VAL 120 OK 61 97 - 63 - 5295/2.1=12, 4.3/7987=10...(15) H LEU 59 - QG1 VAL 120 OK 25 90 - 28 - 7087/2.1=6, 7071/3.2=3...(5) H ASN 106 - QG1 VAL 120 poor 9 89 - 10 - 3.6/8066=2, 5295/2.1=2...(6) H ASN 12 - QG1 VAL 120 lone 6 85 - 7 - Peak 5291 from cnoeabs.peaks (4.08, 1.03, 21.06 ppm; 3.01 A): 3 out of 6 assignments used, quality = 0.94: * HA VAL 120 + QG1 VAL 120 OK 92 100 - 92 - 3.2=83, 5296/2.1=20...(10) HA LYS 31 + QG1 VAL 120 OK 20 100 - 20 - 5296/2.1=5, 5286/2.1=3...(7) HA LEU 55 + QG1 VAL 120 OK 12 68 - 18 - 7009/2.1=4, 3.6/8069=2...(6) HA LEU 24 - QG1 VAL 120 lone 5 93 - 5 - 5296/2.1=1 HA SER 112 - QG1 VAL 120 lone 4 73 - 5 - 620/3.9=1, 5296/2.1=1 HA SER 44 - QG1 VAL 120 lone 3 92 - 3 - Peak 5292 from cnoeabs.peaks (2.30, 1.03, 21.06 ppm; 2.88 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 120 + QG1 VAL 120 OK 100 100 - 100 - 2.1=100 HG2 GLN 105 - QG1 VAL 120 OK 12 92 - 13 - 5297/2.1=2, 5282/3.2=2...(5) HG3 GLN 105 - QG1 VAL 120 OK 12 90 - 13 - 5297/2.1=2, 5282/3.2=2...(6) HB3 PRO 60 - QG1 VAL 120 OK 11 78 - 14 - 5288=2, 5297/2.1=2...(4) HG3 GLU 56 - QG1 VAL 120 lone 8 87 - 9 - 5297/2.1=2, 4.9/8069=2 HG2 GLN 16 - QG1 VAL 120 lone 3 99 - 3 - HB2 CYS 87 - QG1 VAL 120 lone 3 60 - 5 - HG3 GLU 94 - QG1 VAL 120 lone 1 60 - 2 - Peak 5293 from cnoeabs.peaks (1.03, 1.03, 21.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 120 + QG1 VAL 120 OK 100 100 - 100 Peak 5294 from cnoeabs.peaks (1.12, 1.03, 21.06 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 120 + QG1 VAL 120 OK 100 100 - 100 - 2.1=100 QD2 LEU 117 - QG1 VAL 120 OK 31 96 - 33 - 5289/2.1=5, 5284/3.2=3...(12) QG2 THR 62 - QG1 VAL 120 OK 14 93 - 15 - 5289/2.1=2, ~8060=2...(8) QG2 VAL 50 - QG1 VAL 120 poor 10 96 - 10 - 5289/2.1=1, 2.1/6921=1 Peak 5295 from cnoeabs.peaks (8.65, 1.12, 21.17 ppm; 2.91 A): 3 out of 5 assignments used, quality = 0.93: * H VAL 120 + QG2 VAL 120 OK 77 100 - 77 - 4.0=38, 1394/2.1=15...(15) H LEU 117 + QG2 VAL 120 OK 58 97 - 60 - 3.0/8060=11, 5290/2.1=9...(17) H LEU 59 + QG2 VAL 120 OK 24 90 - 27 - 7087=4, 5290/2.1=4...(6) H ASN 106 - QG2 VAL 120 lone 8 89 - 8 - 3.6/8064=1, 5290/2.1=1 H ASN 12 - QG2 VAL 120 lone 5 85 - 5 - Peak 5296 from cnoeabs.peaks (4.08, 1.12, 21.17 ppm; 3.07 A): 1 out of 6 assignments used, quality = 0.95: * HA VAL 120 + QG2 VAL 120 OK 95 100 - 95 - 3.2=88, 5291/2.1=22...(12) HA LYS 31 - QG2 VAL 120 OK 23 100 - 23 - 5291/2.1=5, 5286/2.1=4...(8) HA LEU 55 - QG2 VAL 120 OK 15 68 - 21 - 7009=4, 5291/2.1=3...(7) HA SER 112 - QG2 VAL 120 lone 5 73 - 7 - 3.6/8041=1, 620/3.9=1 HA LEU 24 - QG2 VAL 120 lone 5 93 - 5 - 5291/2.1=1 HA SER 44 - QG2 VAL 120 lone 4 92 - 4 - Peak 5297 from cnoeabs.peaks (2.30, 1.12, 21.17 ppm; 2.87 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 120 + QG2 VAL 120 OK 100 100 - 100 - 2.1=100 HG2 GLN 105 - QG2 VAL 120 OK 12 92 - 13 - 5292/2.1=2, 5282/3.2=2...(5) HG3 GLN 105 - QG2 VAL 120 OK 12 90 - 13 - 5292/2.1=2, 5282/3.2=2...(5) HB3 PRO 60 - QG2 VAL 120 OK 11 78 - 15 - 5292/2.1=2, 5289=2...(4) HG3 GLU 56 - QG2 VAL 120 lone 8 87 - 9 - 5292/2.1=2, 4.9/8041=1 HB2 CYS 87 - QG2 VAL 120 lone 4 60 - 7 - 3.6/7526=2 HG2 GLN 16 - QG2 VAL 120 lone 4 99 - 3 - HG3 GLU 94 - QG2 VAL 120 lone 1 60 - 2 - Peak 5298 from cnoeabs.peaks (1.03, 1.12, 21.17 ppm; 2.54 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 120 + QG2 VAL 120 OK 100 100 - 100 - 2.1=100 QD2 LEU 101 - QG2 VAL 120 OK 15 100 - 15 - 5288/2.1=2, 5283/3.2=1 HB3 LEU 27 - QG2 VAL 120 OK 15 73 - 20 - 3.1/6526=2, 1.8/8055=2...(8) HB3 LEU 21 - QG2 VAL 120 OK 11 85 - 13 - 3.1/6412=2, 5288/2.1=2...(5) QD1 LEU 58 - QG2 VAL 120 OK 11 60 - 18 - 4.9/7087=2, 5283/3.2=2...(5) QG2 THR 33 - QG2 VAL 120 lone 2 81 - 3 - Peak 5299 from cnoeabs.peaks (1.12, 1.12, 21.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 120 + QG2 VAL 120 OK 100 100 - 100 Peak 5300 from cnoeabs.peaks (7.69, 4.41, 62.70 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * H THR 121 + HA THR 121 OK 100 100 - 100 - 3.0=100 H LEU 111 - HA THR 121 OK 28 97 - 29 - 5308/3.2=9, 624/3.6=6...(8) H LEU 111 - HA SER 113 poor 9 42 - 22 - 1752/3.0=7, 1750/3.0=3...(7) H THR 121 - HA SER 113 poor 5 45 - 12 - 1799/3.0=3, 1397=2, 620/4.9=1 HE21 GLN 103 - HA THR 121 lone 4 83 - 4 - 5304/3.0=1 HE21 GLN 103 - HA SER 113 lone 1 32 - 2 - Peak 5301 from cnoeabs.peaks (4.41, 4.41, 62.70 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA THR 121 + HA THR 121 OK 100 100 - 100 HA SER 113 - HA SER 113 OK 21 21 - 100 Peak 5302 from cnoeabs.peaks (4.56, 4.41, 62.70 ppm; 3.20 A): 1 out of 16 assignments used, quality = 1.00: * HB THR 121 + HA THR 121 OK 100 100 - 100 - 3.0=100 HA LEU 27 - HA THR 121 OK 22 71 - 31 - 3.0/8078=4, 5310/3.2=4...(14) HA ASP 47 - HA THR 121 lone 7 85 - 8 - 3.6/8180=1 HA ASN 99 - HA THR 121 lone 3 100 - 3 - HA GLU 82 - HA THR 121 lone 3 90 - 3 - HA THR 95 - HA THR 121 lone 2 96 - 2 - HB THR 121 - HA SER 113 lone 2 45 - 5 - 5305=1 HA ASN 79 - HA THR 121 lone 2 93 - 2 - HA GLU 69 - HA THR 121 lone 1 87 - 2 - HA ASN 79 - HA SER 113 lone 1 38 - 3 - HA THR 95 - HA SER 113 lone 1 40 - 2 - HA ASN 99 - HA SER 113 lone 0 45 - 1 - HA LEU 27 - HA SER 113 lone 0 26 - 1 - HA GLU 82 - HA SER 113 lone 0 36 - 1 - HA ASP 47 - HA SER 113 lone 0 33 - 1 - HA GLU 69 - HA SER 113 lone 0 34 - 0 - Peak 5303 from cnoeabs.peaks (1.38, 4.41, 62.70 ppm; 3.01 A): 2 out of 16 assignments used, quality = 0.92: * QG2 THR 121 + HA THR 121 OK 89 100 - 89 - 3.2=82, 5308/3.0=14...(9) HB2 LEU 27 + HA THR 121 OK 31 83 - 37 - 1.8/8078=5, 5307/3.0=4...(17) HB2 LEU 111 - HA THR 121 OK 24 95 - 25 - 4997/3.0=5, 1.8/8076=3...(10) HB3 LEU 93 - HA THR 121 OK 20 99 - 20 - 1399/3.0=2, 5307/3.0=2...(5) HB VAL 110 - HA THR 121 OK 12 89 - 14 - 5877/3.0=3, 4.4/5300=2...(6) HB VAL 110 - HA SER 113 poor 9 35 - 26 - ~7934=4, ~7938=4...(10) HG2 LYS 31 - HA THR 121 lone 9 99 - 9 - 1399/3.0=1, 5307/3.0=1 HG LEU 59 - HA THR 121 lone 6 71 - 9 - HB3 LEU 59 - HA THR 121 lone 6 60 - 10 - ~8081=1 HB2 LEU 111 - HA SER 113 poor 5 39 - 13 - ~6218=2, 6200/3.0=2...(4) HB3 LEU 93 - HA SER 113 lone 3 44 - 7 - 3.1/8525=2 QG2 THR 121 - HA SER 113 lone 3 45 - 6 - 5309=1 HG2 LYS 31 - HA SER 113 lone 1 44 - 1 - HG LEU 59 - HA SER 113 lone 0 26 - 2 - HB2 LEU 27 - HA SER 113 lone 0 32 - 1 - HB3 LEU 59 - HA SER 113 lone 0 21 - 2 - Peak 5304 from cnoeabs.peaks (7.69, 4.56, 69.65 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * H THR 121 + HB THR 121 OK 100 100 - 100 - 4.0=100 H LEU 111 - HB THR 121 OK 36 97 - 37 - 5308/2.1=15, 5300/3.0=8...(7) HE21 GLN 103 - HB THR 121 poor 10 83 - 12 - 3.5/7775=2, 3.5/7774=2...(5) Peak 5305 from cnoeabs.peaks (4.41, 4.56, 69.65 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 121 + HB THR 121 OK 100 100 - 100 - 3.0=100 HA LYS 32 - HB THR 121 OK 15 95 - 16 - 5309/2.1=4, 5.0/8081=2...(7) HA LEU 93 - HB THR 121 poor 9 60 - 15 - 5309/2.1=4, 3.0/5307=3...(4) HA SER 113 - HB THR 121 lone 3 60 - 5 - HA SER 29 - HB THR 121 lone 2 73 - 3 - Peak 5306 from cnoeabs.peaks (4.56, 4.56, 69.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 121 + HB THR 121 OK 100 100 - 100 Peak 5307 from cnoeabs.peaks (1.38, 4.56, 69.65 ppm; 3.03 A): 1 out of 8 assignments used, quality = 1.00: * QG2 THR 121 + HB THR 121 OK 100 100 - 100 - 2.1=100 HB2 LEU 27 - HB THR 121 OK 32 83 - 39 - 1.8/8082=7, ~8086=5...(16) HB2 LEU 111 - HB THR 121 OK 19 95 - 20 - 4997/4.0=3, 5303/3.0=3...(9) HB3 LEU 93 - HB THR 121 OK 18 99 - 19 - 5303/3.0=2, ~8085=2...(9) HG2 LYS 31 - HB THR 121 OK 11 99 - 11 - 3.0/8081=2, 3.0/8081=2, ~8090=1 HB VAL 110 - HB THR 121 poor 9 89 - 10 - 5877/4.0=2, 4.4/5304=2 HG LEU 59 - HB THR 121 poor 8 71 - 11 - 3.0/8081=2 HB3 LEU 59 - HB THR 121 poor 8 60 - 13 - 1.8/8081=3, 4.8/6264=2 Peak 5308 from cnoeabs.peaks (7.69, 1.38, 22.16 ppm; 3.32 A): 2 out of 3 assignments used, quality = 0.91: * H THR 121 + QG2 THR 121 OK 85 100 - 85 - 4.0=56, 3.0/5309=21...(10) H LEU 111 + QG2 THR 121 OK 39 97 - 40 - 1339=7, 5300/3.2=4...(16) HE21 GLN 103 - QG2 THR 121 lone 4 83 - 4 - 5304/2.1=1 Peak 5309 from cnoeabs.peaks (4.41, 1.38, 22.16 ppm; 2.98 A): 3 out of 5 assignments used, quality = 0.90: * HA THR 121 + QG2 THR 121 OK 87 100 - 87 - 3.2=80, 3.0/5308=14...(9) HA LEU 93 + QG2 THR 121 OK 13 60 - 22 - 3.8/8085=4, 4473=2...(8) HA LYS 32 + QG2 THR 121 OK 12 95 - 13 - 5305/2.1=3, 3.0/8089=2...(4) HA SER 113 - QG2 THR 121 lone 3 60 - 5 - HA SER 29 - QG2 THR 121 lone 2 73 - 3 - Peak 5310 from cnoeabs.peaks (4.56, 1.38, 22.16 ppm; 2.93 A): 1 out of 8 assignments used, quality = 1.00: * HB THR 121 + QG2 THR 121 OK 100 100 - 100 - 2.1=100 HA LEU 27 - QG2 THR 121 OK 23 71 - 32 - 3.0/8086=6, 4.0/8084=4...(15) HA ASP 47 - QG2 THR 121 lone 5 85 - 6 - 3.0/8092=1 HA GLU 82 - QG2 THR 121 lone 3 90 - 4 - 4.9/8093=1 HA ASN 99 - QG2 THR 121 lone 3 100 - 3 - HA THR 95 - QG2 THR 121 lone 2 96 - 2 - HA ASN 79 - QG2 THR 121 lone 2 93 - 2 - HA GLU 69 - QG2 THR 121 lone 1 87 - 1 - Peak 5311 from cnoeabs.peaks (1.38, 1.38, 22.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 121 + QG2 THR 121 OK 100 100 - 100 Peak 5312 from cnoeabs.peaks (7.65, 4.27, 53.98 ppm; 3.49 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 122 + HA ALA 122 OK 100 100 - 100 - 3.0=100 HD21 ASN 108 - HA ALA 122 lone 9 100 - 8 - 5317/2.1=2, 628/3.6=2...(4) H ALA 122 - HA ALA 89 lone 1 34 - 3 - H GLU 56 - HA ALA 122 lone 1 57 - 2 - HD21 ASN 108 - HA ALA 89 lone 0 34 - 1 - H GLU 56 - HA ALA 89 lone 0 15 - 1 - Peak 5313 from cnoeabs.peaks (4.27, 4.27, 53.98 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ALA 122 + HA ALA 122 OK 100 100 - 100 HA ALA 89 - HA ALA 89 OK 16 16 - 100 Peak 5314 from cnoeabs.peaks (1.41, 4.27, 53.98 ppm; 2.70 A): 1 out of 20 assignments used, quality = 1.00: * QB ALA 122 + HA ALA 122 OK 100 100 - 100 - 2.1=100 QB ALA 89 - HA ALA 89 OK 17 17 - 100 - 2.1=100 HB2 LEU 27 - HA ALA 122 lone 6 90 - 7 - 1402/3.0=2, ~8096=1, 630/3.6=1 QB ALA 98 - HA ALA 122 lone 5 97 - 5 - HB3 LEU 91 - HA ALA 89 poor 4 27 - 15 - 4386/3.6=2, 5790/2.9=2...(6) HG LEU 59 - HA ALA 122 lone 4 97 - 4 - 1402/3.0=1 HB2 LEU 51 - HA ALA 122 lone 3 99 - 3 - HB3 LEU 91 - HA ALA 122 lone 2 90 - 2 - HB VAL 110 - HA ALA 122 lone 2 85 - 2 - HB2 LEU 111 - HA ALA 122 lone 2 76 - 2 - 1402/3.0=1 QB ALA 89 - HA ALA 122 lone 1 65 - 2 - HB3 LEU 101 - HA ALA 122 lone 1 68 - 1 - HB VAL 110 - HA ALA 89 lone 1 24 - 3 - QB ALA 98 - HA ALA 89 lone 1 31 - 2 - QB ALA 122 - HA ALA 89 lone 1 34 - 2 - HB2 LEU 111 - HA ALA 89 lone 0 21 - 2 - HB2 LEU 51 - HA ALA 89 lone 0 32 - 1 - HG LEU 59 - HA ALA 89 lone 0 30 - 1 - HB3 LEU 101 - HA ALA 89 lone 0 18 - 2 - HB2 LEU 27 - HA ALA 89 lone 0 27 - 1 - Peak 5317 from cnoeabs.peaks (7.65, 1.41, 18.59 ppm; 2.81 A): 1 out of 9 assignments used, quality = 0.94: * H ALA 122 + QB ALA 122 OK 94 100 - 94 - 2.9=92, 1525/3.6=14...(5) HD21 ASN 108 - QB ALA 98 poor 8 58 - 14 - 4866/2.1=3, ~1723=2...(7) HD21 ASN 108 - QB ALA 122 lone 6 100 - 6 - 5312/2.1=2, 628/3.6=1 H ALA 122 - QB ALA 98 lone 4 58 - 6 - 1402=2 H ALA 122 - QB ALA 89 lone 2 63 - 3 - H GLU 56 - QB ALA 122 lone 1 57 - 2 - HD21 ASN 108 - QB ALA 89 lone 0 63 - 1 - H GLU 56 - QB ALA 89 lone 0 29 - 1 - H GLU 56 - QB ALA 98 lone 0 27 - 1 - Peak 5318 from cnoeabs.peaks (4.27, 1.41, 18.59 ppm; 2.70 A): 1 out of 36 assignments used, quality = 1.00: * HA ALA 122 + QB ALA 122 OK 100 100 - 100 - 2.1=100 HA ALA 89 - QB ALA 89 OK 31 31 - 100 - 2.1=100 HA LEU 58 - QB ALA 122 lone 4 87 - 5 - 1401/2.9=1 HA ALA 122 - QB ALA 98 lone 3 58 - 5 - 5314=2 HA LYS 65 - QB ALA 89 lone 2 45 - 5 - 5674/2.9=2 HA LEU 58 - QB ALA 89 lone 2 48 - 5 - HA LEU 114 - QB ALA 89 lone 2 39 - 6 - HA GLN 103 - QB ALA 122 lone 2 100 - 2 - HB THR 19 - QB ALA 122 lone 2 76 - 2 - HA3 GLY 48 - QB ALA 122 lone 1 73 - 2 - HA ALA 122 - QB ALA 89 lone 1 63 - 2 - HA LYS 65 - QB ALA 122 lone 1 83 - 2 - HB3 SER 113 - QB ALA 89 lone 1 32 - 4 - HA LEU 114 - QB ALA 122 lone 1 73 - 2 - HA ALA 89 - QB ALA 122 lone 1 60 - 2 - HA GLU 94 - QB ALA 122 lone 1 100 - 1 - HA GLU 64 - QB ALA 122 lone 1 96 - 1 - HA GLU 64 - QB ALA 89 lone 1 56 - 1 - HB3 SER 113 - QB ALA 122 lone 1 63 - 1 - HA ALA 89 - QB ALA 98 lone 1 28 - 2 - HA LEU 58 - QB ALA 98 lone 1 44 - 1 - HB THR 19 - QB ALA 98 lone 1 37 - 2 - HA LYS 65 - QB ALA 98 lone 1 42 - 1 - HB3 SER 113 - QB ALA 98 lone 1 30 - 2 - HB THR 19 - QB ALA 89 lone 1 40 - 1 - HA LEU 114 - QB ALA 98 lone 1 36 - 1 - HB2 SER 78 - QB ALA 98 lone 1 28 - 2 - HA GLU 64 - QB ALA 98 lone 0 52 - 1 - HA3 GLY 48 - QB ALA 98 lone 0 36 - 1 - HA3 GLY 48 - QB ALA 89 lone 0 39 - 1 - HA GLN 103 - QB ALA 89 lone 0 62 - 1 - HA GLU 94 - QB ALA 89 lone 0 63 - 1 - HA GLN 103 - QB ALA 98 lone 0 57 - 1 - HB2 SER 78 - QB ALA 122 lone 0 60 - 0 - HA GLU 94 - QB ALA 98 lone 0 58 - 0 - HB2 SER 78 - QB ALA 89 lone 0 31 - 1 - Peak 5319 from cnoeabs.peaks (1.41, 1.41, 18.59 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * QB ALA 122 + QB ALA 122 OK 100 100 - 100 QB ALA 98 + QB ALA 98 OK 54 54 - 100 QB ALA 89 - QB ALA 89 OK 34 34 - 100 Peak 5322 from cnoeabs.peaks (8.16, 4.63, 54.44 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 123 + HA ASP 123 OK 100 100 - 100 - 3.0=100 Peak 5323 from cnoeabs.peaks (4.63, 4.63, 54.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 123 + HA ASP 123 OK 100 100 - 100 Peak 5324 from cnoeabs.peaks (2.75, 4.63, 54.44 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 123 + HA ASP 123 OK 100 100 - 100 - 3.0=100 HB3 ASN 108 - HA ASP 123 lone 2 60 - 3 - Peak 5325 from cnoeabs.peaks (2.66, 4.63, 54.44 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 123 + HA ASP 123 OK 100 100 - 100 - 3.0=100 HE2 LYS 46 - HA ASP 123 lone 8 99 - 8 - 636/3.6=3, 1408/3.0=2 HG2 GLN 103 - HA ASP 123 lone 3 83 - 3 - Peak 5326 from cnoeabs.peaks (8.16, 2.75, 40.70 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.83: * H ASP 123 + HB2 ASP 123 OK 83 100 - 83 - 4.0=62, 1408/1.8=36...(5) Peak 5327 from cnoeabs.peaks (4.63, 2.75, 40.70 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 123 + HB2 ASP 123 OK 100 100 - 100 - 3.0=100 HA ASN 106 - HB2 ASP 123 lone 4 89 - 4 - 5331/1.8=1 HA HIS 10 - HB2 ASP 123 lone 3 100 - 2 - Peak 5328 from cnoeabs.peaks (2.75, 2.75, 40.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 123 + HB2 ASP 123 OK 100 100 - 100 Peak 5329 from cnoeabs.peaks (2.66, 2.75, 40.70 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 123 + HB2 ASP 123 OK 100 100 - 100 - 1.8=100 HE2 LYS 46 - HB2 ASP 123 lone 4 99 - 4 - 636/4.2=1 HG2 GLN 103 - HB2 ASP 123 lone 2 83 - 2 - Peak 5330 from cnoeabs.peaks (8.16, 2.66, 40.70 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.84: * H ASP 123 + HB3 ASP 123 OK 84 100 - 84 - 4.0=64, 5326/1.8=36...(5) Peak 5331 from cnoeabs.peaks (4.63, 2.66, 40.70 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 123 + HB3 ASP 123 OK 100 100 - 100 - 3.0=100 HA ASN 106 - HB3 ASP 123 lone 4 89 - 4 - 5327/1.8=1 HA HIS 10 - HB3 ASP 123 lone 3 100 - 3 - Peak 5332 from cnoeabs.peaks (2.75, 2.66, 40.70 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 123 + HB3 ASP 123 OK 100 100 - 100 - 1.8=100 HB3 ASN 108 - HB3 ASP 123 lone 1 60 - 2 - Peak 5333 from cnoeabs.peaks (2.66, 2.66, 40.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 123 + HB3 ASP 123 OK 100 100 - 100 Peak 5334 from cnoeabs.peaks (7.78, 4.14, 62.07 ppm; 3.15 A): 1 out of 8 assignments used, quality = 1.00: * H ILE 124 + HA ILE 124 OK 100 100 - 100 - 3.0=100 H LEU 45 - HA ILE 124 OK 25 100 - 25 - 5341/3.0=6, 6837/3.2=5...(8) H GLY 48 - HA ILE 124 OK 20 95 - 21 - 5341/3.0=4, 5348/3.2=4...(8) H ILE 124 - HA SER 78 lone 5 62 - 8 - 1410=1, 1410/3.0=1 HD21 ASN 106 - HA ILE 124 lone 3 63 - 4 - H GLY 48 - HA SER 78 lone 2 55 - 4 - H LEU 45 - HA SER 78 lone 1 62 - 1 - HD21 ASN 106 - HA SER 78 lone 0 32 - 0 - Peak 5335 from cnoeabs.peaks (4.14, 4.14, 62.07 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ILE 124 + HA ILE 124 OK 100 100 - 100 HA SER 78 - HA SER 78 OK 34 34 - 100 Peak 5336 from cnoeabs.peaks (1.98, 4.14, 62.07 ppm; 3.06 A): 1 out of 28 assignments used, quality = 1.00: * HB ILE 124 + HA ILE 124 OK 100 100 - 100 - 3.0=100 HB2 LEU 41 - HA ILE 124 OK 28 100 - 28 - 5350/3.2=3, 3.1/5340=3...(13) HG LEU 45 - HA ILE 124 OK 23 97 - 24 - 2898/3.0=4, 8270/3.2=3...(11) HB2 LYS 46 - HA ILE 124 OK 17 92 - 18 - 1411/3.0=3, 5350/3.2=2...(8) HB3 PRO 68 - HA ILE 124 lone 8 100 - 8 - 7228/4.2=1, 5350/3.2=1 HB2 LEU 55 - HA ILE 124 lone 8 87 - 9 - 3.1/7017=1 HG2 PRO 68 - HA ILE 124 lone 8 100 - 7 - 5350/3.2=1 HB ILE 124 - HA SER 78 poor 7 62 - 12 - 5342=1, 5342/3.0=1, 2.1/5349=1 HG2 PRO 60 - HA ILE 124 lone 7 97 - 7 - HB2 LEU 41 - HA SER 78 lone 6 62 - 10 - 5562/2.9=2, ~5563=2...(4) HG LEU 114 - HA ILE 124 lone 5 100 - 5 - HB3 GLN 103 - HA ILE 124 lone 4 100 - 4 - HG LEU 114 - HA SER 78 lone 3 62 - 5 - HB2 GLU 94 - HA ILE 124 lone 3 92 - 3 - HB2 MET 11 - HA ILE 124 lone 3 100 - 3 - HB2 LEU 55 - HA SER 78 lone 2 48 - 5 - ~369=2, ~5729=1 HB2 ARG 71 - HA ILE 124 lone 2 98 - 2 - HB3 GLN 103 - HA SER 78 lone 2 62 - 3 - HB3 GLU 94 - HA ILE 124 lone 2 60 - 3 - HG LEU 45 - HA SER 78 lone 1 57 - 2 - HB3 PRO 68 - HA SER 78 lone 1 62 - 1 - HB2 ARG 71 - HA SER 78 lone 1 59 - 1 - HG2 PRO 68 - HA SER 78 lone 1 62 - 1 - HG2 PRO 60 - HA SER 78 lone 0 58 - 1 - HB2 LYS 46 - HA SER 78 lone 0 52 - 1 - HB2 MET 11 - HA SER 78 lone 0 62 - 1 - HB2 GLU 94 - HA SER 78 lone 0 52 - 1 - HB3 GLU 94 - HA SER 78 lone 0 30 - 1 - Peak 5337 from cnoeabs.peaks (0.96, 4.14, 62.07 ppm; 3.02 A): 1 out of 18 assignments used, quality = 0.93: * QG2 ILE 124 + HA ILE 124 OK 93 100 - 93 - 3.2=85, 5348/3.0=11...(16) HG2 LYS 65 - HA ILE 124 OK 21 76 - 28 - 3.0/5338=3, 3.0/5338=3...(16) HG3 LYS 65 - HA ILE 124 OK 21 76 - 28 - 3.0/5338=3, 3.0/5338=3...(16) QD1 LEU 41 - HA ILE 124 OK 18 68 - 27 - 2.1/5340=4, 5344/3.0=3...(13) QD1 ILE 63 - HA ILE 124 OK 18 89 - 20 - 3534=4, 3.2/3513=2...(9) QD1 LEU 101 - HA ILE 124 OK 11 63 - 17 - ~7728=2, 7725/3.0=2...(5) QG2 ILE 124 - HA SER 78 poor 7 62 - 11 - 5349=2, 5349/3.0=1, 2.1/5342=1 QD1 LEU 55 - HA ILE 124 lone 7 76 - 9 - 2.1/7017=2 QG1 VAL 18 - HA ILE 124 lone 3 65 - 5 - 2.1/8392=1 QG2 THR 95 - HA ILE 124 lone 3 89 - 3 - QD1 ILE 63 - HA SER 78 lone 3 49 - 6 - 7128/3.6=2 QD1 LEU 41 - HA SER 78 lone 3 35 - 8 - ~5565=2, 5566/2.9=1, ~5563=1 HG2 LYS 65 - HA SER 78 lone 2 40 - 5 - HG3 LYS 65 - HA SER 78 lone 2 40 - 5 - QG2 THR 95 - HA SER 78 lone 2 49 - 4 - 8380/3.6=3 QD1 LEU 55 - HA SER 78 lone 2 40 - 4 - QG1 VAL 18 - HA SER 78 lone 1 34 - 4 - ~368=1 QD1 LEU 101 - HA SER 78 lone 0 32 - 1 - Peak 5338 from cnoeabs.peaks (1.55, 4.14, 62.07 ppm; 3.64 A): 2 out of 16 assignments used, quality = 0.97: * HG12 ILE 124 + HA ILE 124 OK 94 100 - 94 - 4.0=75, 5355/3.0=17...(15) HB2 LYS 65 + HA ILE 124 OK 45 99 - 46 - 5345/3.0=6, 1413/3.0=6...(17) HB3 LYS 65 - HA ILE 124 OK 45 99 - 46 - 5345/3.0=6, 1413/3.0=6...(17) HD3 LYS 46 - HA ILE 124 OK 18 73 - 25 - 1413/3.0=3, 5345/3.0=2...(13) HG3 LYS 109 - HA ILE 124 lone 9 100 - 9 - 1413/3.0=2, 5345/3.0=1 HG12 ILE 124 - HA SER 78 poor 9 62 - 14 - 1.8/5363=2, 5356=1...(8) HB3 LYS 65 - HA SER 78 lone 6 59 - 10 - 4.0/7172=2, ~1147=1, ~4042=1 HB2 LYS 65 - HA SER 78 lone 6 59 - 10 - 4.0/7172=2, ~1147=1, ~4042=1 HG2 ARG 57 - HA ILE 124 lone 5 63 - 8 - HG3 ARG 81 - HA ILE 124 lone 4 63 - 6 - HG2 ARG 81 - HA ILE 124 lone 4 63 - 6 - HG2 ARG 81 - HA SER 78 poor 4 32 - 11 - 4.9/8658=4, 2.9/6114=3...(4) HG3 ARG 81 - HA SER 78 poor 4 32 - 11 - 4.9/8658=4, 2.9/6114=3...(4) HG2 ARG 57 - HA SER 78 lone 1 32 - 5 - HG3 LYS 109 - HA SER 78 lone 1 62 - 2 - HD3 LYS 46 - HA SER 78 lone 1 39 - 1 - Peak 5339 from cnoeabs.peaks (1.24, 4.14, 62.07 ppm; 3.34 A): 6 out of 18 assignments used, quality = 0.94: * HG13 ILE 124 + HA ILE 124 OK 86 100 - 86 - 4.0=58, 1414/3.0=15...(15) HG LEU 77 + HA SER 78 OK 20 61 - 32 - 370/2.9=8, ~371=6...(7) QG2 ILE 80 + HA ILE 124 OK 15 63 - 24 - 7410=4, 3.2/7413=2...(9) HB3 LEU 111 + HA ILE 124 OK 14 68 - 20 - 1.8/6200=3, 5353/3.2=2...(10) QD1 ILE 80 + HA ILE 124 OK 14 60 - 23 - 3.2/7410=3, 2.1/5340=3...(12) HG3 LYS 32 + HA ILE 124 OK 11 81 - 14 - 5346/3.0=2, 5353/3.2=2...(8) HG2 LYS 32 - HA ILE 124 poor 10 73 - 13 - 5346/3.0=2, 5353/3.2=2...(9) HG13 ILE 124 - HA SER 78 poor 8 62 - 13 - 370/2.9=2, 5363=2...(5) HG LEU 77 - HA ILE 124 lone 8 99 - 8 - 1414/3.0=1, 642/3.6=1...(4) HB3 LEU 24 - HA SER 78 poor 7 43 - 15 - 370/2.9=4, ~2201=2...(7) HB3 LEU 111 - HA SER 78 poor 5 35 - 14 - 370/2.9=2, 1.8/6200=1...(5) QG2 THR 19 - HA ILE 124 lone 5 87 - 5 - 6375/3.2=1 QG2 ILE 80 - HA SER 78 poor 5 32 - 14 - 7371/3.6=4, 4.4/8658=4...(5) HB3 LEU 24 - HA ILE 124 lone 4 81 - 5 - QD1 ILE 80 - HA SER 78 poor 3 30 - 10 - 7371/3.6=3, 4.9/1665=2 HG3 LYS 32 - HA SER 78 lone 3 43 - 6 - 370/2.9=1, 7371/3.6=1, ~370=1 HG2 LYS 32 - HA SER 78 lone 2 39 - 5 - 370/2.9=2 QG2 THR 19 - HA SER 78 lone 1 48 - 2 - Peak 5340 from cnoeabs.peaks (0.89, 4.14, 62.07 ppm; 3.86 A): 1 out of 16 assignments used, quality = 0.96: * QD1 ILE 124 + HA ILE 124 OK 96 100 - 96 - 4.2=79, 2.1/5363=16...(15) QD2 LEU 41 - HA ILE 124 OK 44 100 - 44 - 5347/3.0=7, 5368/4.0=5...(17) HG13 ILE 80 - HA ILE 124 OK 25 87 - 29 - 3.2/7410=4, 2.1/7413=4...(13) QD2 LEU 59 - HA ILE 124 OK 22 100 - 22 - 5347/3.0=3, 1415/3.0=3...(11) QD2 LEU 126 - HA ILE 124 OK 11 92 - 12 - 643/3.6=2, 5347/3.0=2...(6) QD1 ILE 124 - HA SER 78 OK 10 62 - 16 - 5370=2, 5370/3.0=2...(9) QD2 LEU 41 - HA SER 78 poor 10 62 - 16 - 5565/2.9=5, ~5566=2...(6) QD1 LEU 126 - HA ILE 124 poor 9 81 - 11 - 643/3.6=2, 5347/3.0=2...(4) QG1 VAL 49 - HA ILE 124 lone 8 100 - 8 - 1415/3.0=1, 5347/3.0=1 HG13 ILE 80 - HA SER 78 lone 4 48 - 9 - 5.1/1665=2, 2.1/7413=2 QD1 LEU 117 - HA SER 78 lone 3 42 - 8 - ~8015=2, ~8016=2...(4) QD1 LEU 117 - HA ILE 124 lone 3 78 - 4 - QG1 VAL 49 - HA SER 78 lone 3 61 - 4 - 7372/3.6=2, 8406/2.9=1 QD2 LEU 59 - HA SER 78 lone 1 61 - 2 - QD2 LEU 126 - HA SER 78 lone 0 52 - 1 - QD1 LEU 126 - HA SER 78 lone 0 43 - 1 - Peak 5341 from cnoeabs.peaks (7.78, 1.98, 38.44 ppm; 3.21 A): 3 out of 4 assignments used, quality = 0.92: * H ILE 124 + HB ILE 124 OK 83 100 - 83 - 4.0=53, 5348/2.1=16...(15) H LEU 45 + HB ILE 124 OK 36 100 - 36 - 5348/2.1=7, 968=6...(12) H GLY 48 + HB ILE 124 OK 25 95 - 26 - 5348/2.1=5, 5362/3.0=4...(8) HD21 ASN 106 - HB ILE 124 lone 3 63 - 5 - Peak 5342 from cnoeabs.peaks (4.14, 1.98, 38.44 ppm; 3.35 A): 1 out of 14 assignments used, quality = 1.00: * HA ILE 124 + HB ILE 124 OK 100 100 - 100 - 3.0=100 HB2 SER 113 - HB ILE 124 OK 33 96 - 35 - 7931/2.1=5, 1.8/7935=4...(16) HA ILE 63 - HB ILE 124 OK 18 100 - 18 - 3504/2.1=4, 5363/3.0=2...(8) HB3 SER 78 - HB ILE 124 OK 13 93 - 14 - 5349/2.1=2, 5363/3.0=2...(5) HA PHE 83 - HB ILE 124 OK 12 99 - 12 - 8355/2.1=3, 6148/4.5=1...(4) HA ALA 98 - HB ILE 124 OK 10 100 - 10 - 5349/2.1=1, 5363/3.0=1...(4) HA ASN 108 - HB ILE 124 lone 8 100 - 8 - 5349/2.1=1 HA SER 78 - HB ILE 124 poor 8 65 - 13 - 5336=2, 5349/2.1=1 HA PRO 37 - HB ILE 124 lone 7 100 - 7 - 5349/2.1=1 HB3 SER 72 - HB ILE 124 lone 5 100 - 5 - HA ARG 57 - HB ILE 124 lone 4 65 - 6 - HA GLU 56 - HB ILE 124 lone 3 63 - 5 - HA3 GLY 25 - HB ILE 124 lone 2 65 - 4 - HA GLU 28 - HB ILE 124 lone 2 89 - 3 - Peak 5343 from cnoeabs.peaks (1.98, 1.98, 38.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 124 + HB ILE 124 OK 100 100 - 100 Peak 5344 from cnoeabs.peaks (0.96, 1.98, 38.44 ppm; 2.98 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 124 + HB ILE 124 OK 100 100 - 100 - 2.1=100 QD1 LEU 41 - HB ILE 124 OK 26 68 - 38 - 2.1/5347=6, 2.1/2800=4...(18) HG2 LYS 65 - HB ILE 124 OK 26 76 - 34 - 3.0/5345=4, 3.0/5345=4...(15) HG3 LYS 65 - HB ILE 124 OK 26 76 - 34 - 3.0/5345=4, 3.0/5345=4...(15) QD1 ILE 63 - HB ILE 124 OK 14 89 - 16 - 3534/3.0=2, 8309=2...(4) QD1 LEU 101 - HB ILE 124 OK 12 63 - 19 - ~8121=4, 7725/4.0=2...(9) QD1 LEU 55 - HB ILE 124 poor 8 76 - 10 - QG1 VAL 18 - HB ILE 124 lone 4 65 - 6 - 2.1/8401=1 QG2 THR 95 - HB ILE 124 lone 3 89 - 4 - Peak 5345 from cnoeabs.peaks (1.55, 1.98, 38.44 ppm; 3.47 A): 3 out of 8 assignments used, quality = 1.00: * HG12 ILE 124 + HB ILE 124 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HB ILE 124 OK 48 99 - 49 - 5352/2.1=6, 5373/3.2=5...(23) HB2 LYS 65 + HB ILE 124 OK 48 99 - 49 - 5352/2.1=6, 5373/3.2=5...(23) HD3 LYS 46 - HB ILE 124 OK 19 73 - 27 - 5352/2.1=2, 1413/4.0=2...(11) HG3 LYS 109 - HB ILE 124 OK 10 100 - 10 - 5352/2.1=1, 1413/4.0=1...(4) HG2 ARG 57 - HB ILE 124 lone 6 63 - 9 - HG2 ARG 81 - HB ILE 124 lone 4 63 - 6 - HG3 ARG 81 - HB ILE 124 lone 4 63 - 6 - Peak 5346 from cnoeabs.peaks (1.24, 1.98, 38.44 ppm; 3.83 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 124 + HB ILE 124 OK 100 100 - 100 - 3.0=100 HG3 LYS 32 - HB ILE 124 OK 23 81 - 29 - 3.8/8123=5, 5353/2.1=4...(14) HG2 LYS 32 - HB ILE 124 OK 21 73 - 28 - 3.8/8123=5, 5353/2.1=3...(15) QD1 ILE 80 - HB ILE 124 OK 20 60 - 33 - 2.1/5347=4, 5353/2.1=3...(15) QG2 ILE 80 - HB ILE 124 OK 20 63 - 32 - 3.2/5347=3, 5353/2.1=3...(15) HB3 LEU 111 - HB ILE 124 OK 18 68 - 27 - ~8115=3, 3.0/8418=3...(11) HG LEU 77 - HB ILE 124 OK 12 99 - 12 - 5353/2.1=2, 642/4.5=1...(6) HB3 LEU 24 - HB ILE 124 poor 8 81 - 10 - 5353/2.1=1 QG2 THR 19 - HB ILE 124 lone 6 87 - 7 - 6375/2.1=2 Peak 5347 from cnoeabs.peaks (0.89, 1.98, 38.44 ppm; 3.33 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 124 + HB ILE 124 OK 100 100 - 100 - 3.2=100 QD2 LEU 41 + HB ILE 124 OK 50 100 - 50 - 2807=7, 5368/3.0=5...(25) HG13 ILE 80 - HB ILE 124 OK 22 87 - 25 - 5368/3.0=2, 2.1/5346=2...(10) QD2 LEU 59 - HB ILE 124 OK 20 100 - 19 - 5368/3.0=2, 3.2/8114=2...(8) QD2 LEU 126 - HB ILE 124 OK 12 92 - 13 - 4.7/8128=3, 5368/3.0=1...(4) QD1 LEU 126 - HB ILE 124 OK 10 81 - 13 - 4.7/8128=3, 643/4.5=1 QG1 VAL 49 - HB ILE 124 lone 8 100 - 8 - QD1 LEU 117 - HB ILE 124 lone 3 78 - 4 - Peak 5348 from cnoeabs.peaks (7.78, 0.96, 17.23 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.94: * H ILE 124 + QG2 ILE 124 OK 91 100 - 91 - 4.0=67, 5341/2.1=21...(15) H LEU 45 + QG2 ILE 124 OK 38 100 - 38 - 5341/2.1=9, 6837=9...(9) H GLY 48 - QG2 ILE 124 OK 28 95 - 29 - 5341/2.1=6, 5369/3.2=5...(9) HD21 ASN 106 - QG2 ILE 124 lone 4 63 - 6 - Peak 5349 from cnoeabs.peaks (4.14, 0.96, 17.23 ppm; 3.11 A): 1 out of 14 assignments used, quality = 0.97: * HA ILE 124 + QG2 ILE 124 OK 97 100 - 97 - 3.2=93, 3.0/5348=12...(16) HB2 SER 113 - QG2 ILE 124 OK 27 96 - 28 - 7931=4, 5342/2.1=4...(12) HA ILE 63 - QG2 ILE 124 OK 22 100 - 22 - 3504=5, 5342/2.1=2...(12) HA PHE 83 - QG2 ILE 124 OK 13 99 - 13 - 8355=2, 5342/2.1=2, 6148/4.4=1 HB3 SER 78 - QG2 ILE 124 OK 11 93 - 12 - 5342/2.1=2, 5363/3.2=1 HA ALA 98 - QG2 ILE 124 lone 9 100 - 9 - 5342/2.1=1, 5363/3.2=1 HA ASN 108 - QG2 ILE 124 lone 7 100 - 7 - 5342/2.1=1 HA SER 78 - QG2 ILE 124 poor 7 65 - 11 - 5337=2, 5342/2.1=1 HA PRO 37 - QG2 ILE 124 lone 6 100 - 6 - HB3 SER 72 - QG2 ILE 124 lone 4 100 - 4 - HA ARG 57 - QG2 ILE 124 lone 4 65 - 6 - 3.0/7037=1 HA GLU 56 - QG2 ILE 124 lone 3 63 - 5 - HA GLU 28 - QG2 ILE 124 lone 2 89 - 2 - HA3 GLY 25 - QG2 ILE 124 lone 2 65 - 3 - Peak 5350 from cnoeabs.peaks (1.98, 0.96, 17.23 ppm; 2.76 A): 1 out of 14 assignments used, quality = 1.00: * HB ILE 124 + QG2 ILE 124 OK 100 100 - 100 - 2.1=100 HB2 LEU 41 - QG2 ILE 124 OK 28 100 - 29 - 5371/3.2=3, 5364/3.2=2...(11) HG LEU 45 - QG2 ILE 124 OK 17 97 - 18 - 8270=3, 2898/4.0=3...(7) HB2 LYS 46 - QG2 ILE 124 OK 14 92 - 15 - 6855/4.0=2, 5371/3.2=1...(6) HB3 PRO 68 - QG2 ILE 124 lone 9 100 - 9 - 7228/3.2=1 HG2 PRO 68 - QG2 ILE 124 lone 9 100 - 9 - HG2 PRO 60 - QG2 ILE 124 lone 7 97 - 7 - HB2 LEU 55 - QG2 ILE 124 lone 7 87 - 8 - HB2 GLU 94 - QG2 ILE 124 lone 4 92 - 4 - 4.0/7614=1 HG LEU 114 - QG2 ILE 124 lone 3 100 - 3 - HB3 GLN 103 - QG2 ILE 124 lone 3 100 - 3 - HB2 MET 11 - QG2 ILE 124 lone 2 100 - 2 - HB3 GLU 94 - QG2 ILE 124 lone 2 60 - 4 - 4.0/7614=1 HB2 ARG 71 - QG2 ILE 124 lone 2 98 - 2 - Peak 5351 from cnoeabs.peaks (0.96, 0.96, 17.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 124 + QG2 ILE 124 OK 100 100 - 100 Peak 5352 from cnoeabs.peaks (1.55, 0.96, 17.23 ppm; 3.52 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 124 + QG2 ILE 124 OK 100 100 - 100 - 3.2=100 HB3 LYS 65 - QG2 ILE 124 OK 44 99 - 45 - 5345/2.1=7, 5373/3.2=5...(17) HB2 LYS 65 - QG2 ILE 124 OK 44 99 - 45 - 5345/2.1=7, 5373/3.2=5...(17) HD3 LYS 46 - QG2 ILE 124 OK 17 73 - 23 - 5345/2.1=3, 1413/4.0=2...(9) HG3 LYS 109 - QG2 ILE 124 lone 10 100 - 10 - 5345/2.1=1, 1413/4.0=1...(4) HG2 ARG 57 - QG2 ILE 124 lone 6 63 - 10 - 3.0/7037=1 HG2 ARG 81 - QG2 ILE 124 lone 4 63 - 6 - HG3 ARG 81 - QG2 ILE 124 lone 4 63 - 6 - Peak 5353 from cnoeabs.peaks (1.24, 0.96, 17.23 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 124 + QG2 ILE 124 OK 100 100 - 100 - 3.2=100 HG3 LYS 32 - QG2 ILE 124 OK 17 81 - 21 - 3.8/8125=3, 5346/2.1=3...(9) HG2 LYS 32 - QG2 ILE 124 OK 15 73 - 20 - 3.8/8125=3, 5346/2.1=2...(9) HB3 LEU 111 - QG2 ILE 124 OK 14 68 - 21 - 1.8/8115=4, 5346/2.1=2...(10) QG2 ILE 80 - QG2 ILE 124 OK 14 63 - 23 - 5346/2.1=2, 5374/3.2=2...(8) QD1 ILE 80 - QG2 ILE 124 OK 14 60 - 23 - 5346/2.1=2, 5374/3.2=2...(8) HG LEU 77 - QG2 ILE 124 lone 9 99 - 9 - 5346/2.1=1, 642/4.4=1 HB3 LEU 24 - QG2 ILE 124 lone 6 81 - 7 - QG2 THR 19 - QG2 ILE 124 lone 5 87 - 6 - 6375=2 Peak 5354 from cnoeabs.peaks (0.89, 0.96, 17.23 ppm; 5.09 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 124 + QG2 ILE 124 OK 100 100 - 100 - 3.2=100 QD2 LEU 41 + QG2 ILE 124 OK 73 100 - 74 - 5347/2.1=11, 5368/3.2=9...(30) HG13 ILE 80 - QG2 ILE 124 OK 42 87 - 48 - 5347/2.1=5, 1415/4.0=4...(21) QD2 LEU 59 - QG2 ILE 124 OK 40 100 - 40 - 5347/2.1=4, 5340/3.2=4...(16) QD2 LEU 126 - QG2 ILE 124 OK 21 92 - 23 - 643/4.4=3, 5347/2.1=3...(12) QD1 LEU 126 - QG2 ILE 124 OK 18 81 - 22 - 643/4.4=3, 5347/2.1=2...(11) QG1 VAL 49 - QG2 ILE 124 OK 14 100 - 14 - 8492/2.1=2, 1415/4.0=2...(6) QD1 LEU 117 - QG2 ILE 124 lone 7 78 - 8 - Peak 5355 from cnoeabs.peaks (7.78, 1.55, 27.37 ppm; 3.33 A): 3 out of 8 assignments used, quality = 0.90: * H ILE 124 + HG12 ILE 124 OK 80 100 - 80 - 4.9=31, 1414/1.8=20...(17) H LEU 45 + HG12 ILE 124 OK 29 100 - 29 - 5362/1.8=7, 5341/3.0=7...(5) H GLY 48 + HG12 ILE 124 OK 26 95 - 28 - 5362/1.8=6, 5369/2.1=6...(9) HD21 ASN 106 - HG12 ILE 124 lone 5 63 - 7 - 1.7/7800=1 H ILE 124 - HG2 ARG 57 lone 4 55 - 6 - 1413=1 H LEU 45 - HG2 ARG 57 lone 1 55 - 3 - H GLY 48 - HG2 ARG 57 lone 1 48 - 1 - HD21 ASN 106 - HG2 ARG 57 lone 1 28 - 2 - Peak 5356 from cnoeabs.peaks (4.14, 1.55, 27.37 ppm; 3.62 A): 2 out of 28 assignments used, quality = 0.96: * HA ILE 124 + HG12 ILE 124 OK 93 100 - 93 - 4.0=74, 3.0/5355=17...(15) HB2 SER 113 + HG12 ILE 124 OK 32 96 - 34 - 7931/3.2=5, 5363/1.8=5...(11) HA ARG 57 - HG2 ARG 57 OK 29 29 - 99 - 3.6=99, 3297/2.9=12...(19) HA ILE 63 - HG12 ILE 124 OK 16 100 - 17 - 3504/3.2=3, 5363/1.8=3...(5) HA ILE 63 - HG2 ARG 57 OK 16 55 - 29 - 3503/3.0=3, 3500/3.0=3...(17) HB3 SER 78 - HG12 ILE 124 OK 13 93 - 14 - 5363/1.8=2, 5370/2.1=2...(4) HA PRO 37 - HG2 ARG 57 OK 11 55 - 21 - ~6678=2, 6671/1.8=2...(6) HA PHE 83 - HG12 ILE 124 OK 11 99 - 11 - 8355/3.2=2, 5363/1.8=2...(4) HA ALA 98 - HG12 ILE 124 OK 10 100 - 10 - 5363/1.8=2, 5370/2.1=2...(4) HA ASN 108 - HG12 ILE 124 lone 9 100 - 9 - 3.6/1327=2, 5363/1.8=1...(5) HA SER 78 - HG12 ILE 124 poor 8 65 - 13 - 5338=2, 5363/1.8=2...(7) HA PRO 37 - HG12 ILE 124 lone 6 100 - 6 - 5363/1.8=1 HA3 GLY 25 - HG2 ARG 57 poor 5 29 - 17 - 1.8/6484=3, 5494/3.5=3...(8) HA GLU 56 - HG2 ARG 57 poor 5 28 - 18 - 3.6/1041=3, 3264/3.0=1...(4) HA ILE 124 - HG2 ARG 57 lone 5 55 - 8 - 5338=1 HA ARG 57 - HG12 ILE 124 lone 4 65 - 6 - HB3 SER 72 - HG12 ILE 124 lone 4 100 - 4 - HA ALA 98 - HG2 ARG 57 lone 3 55 - 5 - HB2 SER 113 - HG2 ARG 57 lone 3 49 - 5 - 7927/3.5=2, 5048/5.1=1 HA GLU 56 - HG12 ILE 124 lone 3 63 - 4 - HA3 GLY 25 - HG12 ILE 124 lone 3 65 - 4 - HA GLU 28 - HG12 ILE 124 lone 2 89 - 2 - HA ASN 108 - HG2 ARG 57 lone 2 55 - 3 - HB3 SER 78 - HG2 ARG 57 lone 2 47 - 4 - HA SER 78 - HG2 ARG 57 lone 1 29 - 5 - HB3 SER 72 - HG2 ARG 57 lone 1 55 - 2 - HA PHE 83 - HG2 ARG 57 lone 1 53 - 1 - HA GLU 28 - HG2 ARG 57 lone 0 43 - 1 - Peak 5357 from cnoeabs.peaks (1.98, 1.55, 27.37 ppm; 3.36 A): 1 out of 28 assignments used, quality = 1.00: * HB ILE 124 + HG12 ILE 124 OK 100 100 - 100 - 3.0=100 HB2 LEU 41 - HG12 ILE 124 OK 43 100 - 43 - 5371/2.1=6, 5364/1.8=5...(19) HG2 PRO 60 - HG2 ARG 57 OK 25 51 - 49 - ~3329=5, 3472/2.9=4...(31) HB2 LYS 46 - HG12 ILE 124 OK 24 92 - 26 - 5364/1.8=3, 5371/2.1=3...(8) HG LEU 45 - HG12 ILE 124 OK 22 97 - 23 - 8269/2.1=4, 8270/3.2=4...(7) HG2 PRO 68 - HG12 ILE 124 OK 14 100 - 13 - 5371/2.1=2, 5364/1.8=2...(5) HB3 PRO 68 - HG12 ILE 124 OK 13 100 - 13 - 7228/2.1=2, 5364/1.8=2...(4) HG2 PRO 60 - HG12 ILE 124 OK 11 97 - 11 - ~7091=2, 5371/2.1=2...(5) HB2 LEU 55 - HG12 ILE 124 poor 9 87 - 10 - 5371/2.1=1, 5364/1.8=1 HB ILE 124 - HG2 ARG 57 lone 5 55 - 9 - 5345=1 HB3 GLN 103 - HG12 ILE 124 lone 5 100 - 4 - HG LEU 114 - HG12 ILE 124 lone 4 100 - 4 - HG LEU 45 - HG2 ARG 57 lone 4 50 - 9 - ~7039=2 HB2 MET 11 - HG12 ILE 124 lone 4 100 - 4 - HB2 GLU 94 - HG12 ILE 124 lone 4 92 - 4 - HB2 LEU 41 - HG2 ARG 57 lone 3 55 - 6 - HB2 ARG 71 - HG12 ILE 124 lone 2 98 - 2 - HB3 GLU 94 - HG12 ILE 124 lone 2 60 - 3 - HG LEU 114 - HG2 ARG 57 lone 2 55 - 3 - HB2 LYS 46 - HG2 ARG 57 lone 1 46 - 3 - HB2 LEU 55 - HG2 ARG 57 lone 1 42 - 3 - 5628/5.1=1 HG2 PRO 68 - HG2 ARG 57 lone 1 55 - 1 - HB3 PRO 68 - HG2 ARG 57 lone 1 55 - 1 - HB2 ARG 71 - HG2 ARG 57 lone 0 52 - 1 - HB3 GLN 103 - HG2 ARG 57 lone 0 55 - 1 - HB2 MET 11 - HG2 ARG 57 lone 0 55 - 1 - HB2 GLU 94 - HG2 ARG 57 lone 0 46 - 1 - HB3 GLU 94 - HG2 ARG 57 lone 0 27 - 1 - Peak 5358 from cnoeabs.peaks (0.96, 1.55, 27.37 ppm; 3.68 A): 1 out of 18 assignments used, quality = 1.00: * QG2 ILE 124 + HG12 ILE 124 OK 100 100 - 100 - 3.2=100 QD1 LEU 41 - HG12 ILE 124 OK 33 68 - 49 - 2.1/5361=7, ~5368=5...(19) HG3 LYS 65 - HG12 ILE 124 OK 33 76 - 43 - 5365/1.8=5, 5372/2.1=5...(20) HG2 LYS 65 - HG12 ILE 124 OK 33 76 - 43 - 5365/1.8=5, 5372/2.1=5...(20) QD1 ILE 63 - HG2 ARG 57 OK 21 43 - 48 - 7129/5.1=4, 3538/3.0=4...(27) QD1 LEU 101 - HG12 ILE 124 OK 16 63 - 26 - ~8121=9, 5372/2.1=3...(9) QD1 ILE 63 - HG12 ILE 124 OK 14 89 - 16 - 3534/4.0=2, 8309/3.0=2...(8) QD1 LEU 55 - HG12 ILE 124 poor 9 76 - 12 - 5365/1.8=1, 5372/2.1=1 QG2 ILE 124 - HG2 ARG 57 poor 6 55 - 11 - 7037/3.0=1, 5352=1 QG1 VAL 18 - HG12 ILE 124 lone 5 65 - 7 - QG2 THR 95 - HG12 ILE 124 lone 4 89 - 5 - QD1 LEU 101 - HG2 ARG 57 poor 4 28 - 13 - 7037/3.0=2 QD1 LEU 41 - HG2 ARG 57 lone 2 31 - 7 - QG1 VAL 18 - HG2 ARG 57 lone 2 29 - 5 - 7037/3.0=1, ~8398=1 HG2 LYS 65 - HG2 ARG 57 lone 1 35 - 3 - HG3 LYS 65 - HG2 ARG 57 lone 1 35 - 3 - QG2 THR 95 - HG2 ARG 57 lone 1 43 - 3 - 7619/3.5=1 QD1 LEU 55 - HG2 ARG 57 lone 1 35 - 3 - 7018/5.1=1 Peak 5359 from cnoeabs.peaks (1.55, 1.55, 27.37 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 124 + HG12 ILE 124 OK 100 100 - 100 HG2 ARG 57 - HG2 ARG 57 OK 28 28 - 100 Peak 5360 from cnoeabs.peaks (1.24, 1.55, 27.37 ppm; 2.42 A): 1 out of 18 assignments used, quality = 1.00: * HG13 ILE 124 + HG12 ILE 124 OK 100 100 - 100 - 1.8=100 HG3 LYS 32 - HG12 ILE 124 poor 10 81 - 12 - 5374/2.1=2, 2529/1.8=1...(5) HG2 LYS 32 - HG12 ILE 124 poor 9 73 - 12 - 5374/2.1=1, 2520/1.8=1 QD1 ILE 80 - HG12 ILE 124 poor 7 60 - 11 - 2.1/5361=2, 5374/2.1=1 HB3 LEU 24 - HG2 ARG 57 poor 6 38 - 17 - 2212/1.8=2, ~7039=2...(6) QG2 ILE 80 - HG12 ILE 124 poor 6 63 - 10 - 5374/2.1=1, 3.2/5361=1 HB3 LEU 111 - HG12 ILE 124 lone 6 68 - 8 - 5374/2.1=1, ~8120=1 HG LEU 77 - HG12 ILE 124 lone 4 99 - 4 - HB3 LEU 24 - HG12 ILE 124 lone 2 81 - 3 - HG13 ILE 124 - HG2 ARG 57 lone 2 55 - 4 - QG2 THR 19 - HG12 ILE 124 lone 2 87 - 2 - QG2 ILE 80 - HG2 ARG 57 lone 0 28 - 1 - HG LEU 77 - HG2 ARG 57 lone 0 54 - 1 - HB3 LEU 111 - HG2 ARG 57 lone 0 31 - 1 - HG3 LYS 32 - HG2 ARG 57 lone 0 38 - 1 - QG2 THR 19 - HG2 ARG 57 lone 0 42 - 0 - QD1 ILE 80 - HG2 ARG 57 lone 0 27 - 1 - HG2 LYS 32 - HG2 ARG 57 lone 0 34 - 0 - Peak 5361 from cnoeabs.peaks (0.89, 1.55, 27.37 ppm; 3.03 A): 1 out of 16 assignments used, quality = 1.00: * QD1 ILE 124 + HG12 ILE 124 OK 100 100 - 100 - 2.1=100 QD2 LEU 41 - HG12 ILE 124 OK 36 100 - 36 - 5368/1.8=6, 5347/3.0=5...(18) HG13 ILE 80 - HG12 ILE 124 OK 16 87 - 19 - 5368/1.8=3, 5347/3.0=2...(9) QD2 LEU 59 - HG12 ILE 124 OK 14 100 - 14 - 5368/1.8=3, 5347/3.0=2...(6) QD2 LEU 126 - HG12 ILE 124 lone 8 92 - 8 - 5368/1.8=1, 5347/3.0=1 QD1 LEU 126 - HG12 ILE 124 lone 7 81 - 8 - 5368/1.8=1, 5416/2.1=1 QG1 VAL 49 - HG12 ILE 124 lone 5 100 - 5 - QD1 ILE 124 - HG2 ARG 57 lone 4 55 - 6 - 5373=1 QD2 LEU 41 - HG2 ARG 57 lone 3 55 - 5 - 8263/1.8=1 QD1 LEU 117 - HG12 ILE 124 lone 2 78 - 3 - QD2 LEU 126 - HG2 ARG 57 lone 2 46 - 4 - QD1 LEU 126 - HG2 ARG 57 lone 2 38 - 4 - QG1 VAL 49 - HG2 ARG 57 lone 1 54 - 2 - QD2 LEU 59 - HG2 ARG 57 lone 1 54 - 1 - HG13 ILE 80 - HG2 ARG 57 lone 0 42 - 1 - QD1 LEU 117 - HG2 ARG 57 lone 0 37 - 1 - Peak 5362 from cnoeabs.peaks (7.78, 1.24, 27.37 ppm; 3.44 A): 3 out of 4 assignments used, quality = 0.90: * H ILE 124 + HG13 ILE 124 OK 81 100 - 81 - 4.9=34, 5355/1.8=20...(14) H LEU 45 + HG13 ILE 124 OK 30 100 - 30 - 5355/1.8=7, 5341/3.0=7...(7) H GLY 48 + HG13 ILE 124 OK 27 95 - 29 - 5355/1.8=7, 5369/2.1=6...(8) HD21 ASN 106 - HG13 ILE 124 lone 4 63 - 5 - 5355/1.8=1, ~7800=1 Peak 5363 from cnoeabs.peaks (4.14, 1.24, 27.37 ppm; 3.60 A): 2 out of 14 assignments used, quality = 0.95: * HA ILE 124 + HG13 ILE 124 OK 93 100 - 93 - 4.0=72, 3.0/1414=17...(15) HB2 SER 113 + HG13 ILE 124 OK 32 96 - 34 - 7931/3.2=5, 5370/2.1=4...(12) HA ILE 63 - HG13 ILE 124 OK 16 100 - 16 - 3504/3.2=3, 5342/3.0=2...(6) HB3 SER 78 - HG13 ILE 124 OK 14 93 - 15 - 5370/2.1=2, 3.9/370=2...(6) HA ALA 98 - HG13 ILE 124 OK 12 100 - 12 - 5370/2.1=2, 7671=1...(6) HA PHE 83 - HG13 ILE 124 OK 10 99 - 10 - 8355/3.2=2, 5342/3.0=2...(4) HA SER 78 - HG13 ILE 124 poor 9 65 - 14 - 2.9/370=2, 5339=2...(6) HA ASN 108 - HG13 ILE 124 lone 9 100 - 9 - 5370/2.1=1, 6201=1...(5) HA PRO 37 - HG13 ILE 124 lone 6 100 - 6 - HA ARG 57 - HG13 ILE 124 lone 4 65 - 7 - HB3 SER 72 - HG13 ILE 124 lone 4 100 - 4 - HA3 GLY 25 - HG13 ILE 124 lone 3 65 - 4 - HA GLU 56 - HG13 ILE 124 lone 2 63 - 4 - HA GLU 28 - HG13 ILE 124 lone 2 89 - 2 - Peak 5364 from cnoeabs.peaks (1.98, 1.24, 27.37 ppm; 3.78 A): 2 out of 14 assignments used, quality = 1.00: * HB ILE 124 + HG13 ILE 124 OK 100 100 - 100 - 3.0=100 HB2 LEU 41 + HG13 ILE 124 OK 52 100 - 53 - 5371/2.1=7, 3.1/5368=7...(23) HG LEU 45 - HG13 ILE 124 OK 28 97 - 29 - 8269/2.1=5, 8270/3.2=5...(10) HB2 LYS 46 - HG13 ILE 124 OK 28 92 - 31 - 3.0/8585=5, 5357/1.8=3...(9) HB3 PRO 68 - HG13 ILE 124 OK 17 100 - 17 - 7228/2.1=3, ~7226=2...(6) HG2 PRO 68 - HG13 ILE 124 OK 17 100 - 17 - 5371/2.1=2, 5357/1.8=2...(7) HG2 PRO 60 - HG13 ILE 124 OK 14 97 - 15 - ~7091=2, ~7089=2...(5) HB2 LEU 55 - HG13 ILE 124 OK 12 87 - 13 - 5371/2.1=1, 5357/1.8=1...(5) HG LEU 114 - HG13 ILE 124 lone 6 100 - 6 - HB3 GLN 103 - HG13 ILE 124 lone 6 100 - 5 - HB2 GLU 94 - HG13 ILE 124 lone 5 92 - 5 - HB2 MET 11 - HG13 ILE 124 lone 4 100 - 4 - HB2 ARG 71 - HG13 ILE 124 lone 3 98 - 3 - HB3 GLU 94 - HG13 ILE 124 lone 3 60 - 4 - Peak 5365 from cnoeabs.peaks (0.96, 1.24, 27.37 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 124 + HG13 ILE 124 OK 100 100 - 100 - 3.2=100 HG2 LYS 65 - HG13 ILE 124 OK 31 76 - 41 - 3.0/5366=5, 3.0/5366=5...(18) HG3 LYS 65 - HG13 ILE 124 OK 31 76 - 41 - 3.0/5366=5, 3.0/5366=5...(18) QD1 LEU 41 - HG13 ILE 124 OK 30 68 - 45 - 2.1/5368=7, 5372/2.1=4...(19) QD1 LEU 101 - HG13 ILE 124 OK 15 63 - 24 - ~8121=8, 5372/2.1=2...(8) QD1 ILE 63 - HG13 ILE 124 OK 13 89 - 14 - 5344/3.0=2, 3534/4.0=2...(5) QD1 LEU 55 - HG13 ILE 124 poor 8 76 - 11 - 5372/2.1=1, 5344/3.0=1 QG1 VAL 18 - HG13 ILE 124 lone 5 65 - 7 - QG2 THR 95 - HG13 ILE 124 lone 4 89 - 5 - Peak 5366 from cnoeabs.peaks (1.55, 1.24, 27.37 ppm; 2.47 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 124 + HG13 ILE 124 OK 100 100 - 100 - 1.8=100 HB3 LYS 65 - HG13 ILE 124 OK 22 99 - 22 - 5373/2.1=3, 5345/3.0=3...(10) HB2 LYS 65 - HG13 ILE 124 OK 22 99 - 22 - 5373/2.1=3, 5345/3.0=3...(10) HD3 LYS 46 - HG13 ILE 124 poor 8 73 - 11 - 5373/2.1=1, 5.2/8585=1 HG3 LYS 109 - HG13 ILE 124 lone 5 100 - 5 - HG2 ARG 57 - HG13 ILE 124 lone 3 63 - 4 - HG2 ARG 81 - HG13 ILE 124 lone 1 63 - 2 - HG3 ARG 81 - HG13 ILE 124 lone 1 63 - 2 - Peak 5367 from cnoeabs.peaks (1.24, 1.24, 27.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 124 + HG13 ILE 124 OK 100 100 - 100 Peak 5368 from cnoeabs.peaks (0.89, 1.24, 27.37 ppm; 3.20 A): 1 out of 8 assignments used, quality = 1.00: * QD1 ILE 124 + HG13 ILE 124 OK 100 100 - 100 - 2.1=100 QD2 LEU 41 - HG13 ILE 124 OK 41 100 - 41 - 5361/1.8=7, 5347/3.0=5...(18) HG13 ILE 80 - HG13 ILE 124 OK 17 87 - 20 - 5361/1.8=3, 5347/3.0=2...(9) QD2 LEU 59 - HG13 ILE 124 OK 16 100 - 16 - 5361/1.8=3, 5347/3.0=2...(7) QD2 LEU 126 - HG13 ILE 124 lone 9 92 - 9 - 5361/1.8=1, 5347/3.0=1 QD1 LEU 126 - HG13 ILE 124 lone 7 81 - 9 - 5361/1.8=1, 5416/2.1=1 QG1 VAL 49 - HG13 ILE 124 lone 6 100 - 6 - QD1 LEU 117 - HG13 ILE 124 lone 3 78 - 3 - Peak 5369 from cnoeabs.peaks (7.78, 0.89, 13.31 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.96: * H ILE 124 + QD1 ILE 124 OK 94 100 - 94 - 4.7=63, 1414/2.1=24...(16) H GLY 48 + QD1 ILE 124 OK 42 95 - 45 - 5362/2.1=8, 5355/2.1=8...(13) H LEU 45 - QD1 ILE 124 OK 41 100 - 41 - 5362/2.1=9, 5341/3.2=8...(8) HD21 ASN 106 - QD1 ILE 124 lone 5 63 - 7 - ~7800=2, 5355/2.1=1, 5362/2.1=1 Peak 5370 from cnoeabs.peaks (4.14, 0.89, 13.31 ppm; 3.98 A): 1 out of 14 assignments used, quality = 0.98: * HA ILE 124 + QD1 ILE 124 OK 98 100 - 98 - 4.2=87, 5363/2.1=17...(15) HB2 SER 113 - QD1 ILE 124 OK 36 96 - 38 - 7931/3.2=7, 5363/2.1=6...(14) HA ILE 63 - QD1 ILE 124 OK 19 100 - 19 - 3504/3.2=4, 5363/2.1=3...(8) HB3 SER 78 - QD1 ILE 124 OK 16 93 - 17 - 5363/2.1=3, 5342/3.2=2...(7) HA PHE 83 - QD1 ILE 124 OK 13 99 - 13 - 8355/3.2=3, 5363/2.1=2...(5) HA ALA 98 - QD1 ILE 124 OK 13 100 - 13 - 5363/2.1=2, 5342/3.2=2...(4) HA ASN 108 - QD1 ILE 124 OK 11 100 - 11 - 5363/2.1=2, 5356/2.1=1...(4) HA SER 78 - QD1 ILE 124 OK 10 65 - 16 - 5340=2, 5363/2.1=2...(8) HA PRO 37 - QD1 ILE 124 lone 8 100 - 8 - 5363/2.1=1, 8253/3.2=1 HA ARG 57 - QD1 ILE 124 lone 6 65 - 8 - HB3 SER 72 - QD1 ILE 124 lone 5 100 - 5 - HA GLU 56 - QD1 ILE 124 lone 3 63 - 5 - HA3 GLY 25 - QD1 ILE 124 lone 3 65 - 4 - HA GLU 28 - QD1 ILE 124 lone 3 89 - 3 - Peak 5371 from cnoeabs.peaks (1.98, 0.89, 13.31 ppm; 3.15 A): 1 out of 14 assignments used, quality = 0.96: * HB ILE 124 + QD1 ILE 124 OK 96 100 - 96 - 3.2=93, 5341/4.7=7...(11) HB2 LEU 41 - QD1 ILE 124 OK 43 100 - 43 - 1.8/2796=5, 2789=5...(19) HG LEU 45 - QD1 ILE 124 OK 21 97 - 22 - 8269=4, 8270/3.2=3...(7) HB2 LYS 46 - QD1 ILE 124 OK 18 92 - 20 - 5357/2.1=2, 5364/2.1=2...(7) HB3 PRO 68 - QD1 ILE 124 OK 13 100 - 13 - 1.8/7226=2, 7228=2...(5) HG2 PRO 68 - QD1 ILE 124 OK 13 100 - 13 - 2.3/7226=2, 2.3/7228=2...(5) HG2 PRO 60 - QD1 ILE 124 OK 11 97 - 11 - 2.3/7091=3, 2.3/7089=2...(4) HB2 LEU 55 - QD1 ILE 124 lone 8 87 - 10 - HG LEU 114 - QD1 ILE 124 lone 4 100 - 4 - HB3 GLN 103 - QD1 ILE 124 lone 3 100 - 3 - HB2 GLU 94 - QD1 ILE 124 lone 3 92 - 4 - HB2 MET 11 - QD1 ILE 124 lone 3 100 - 3 - HB2 ARG 71 - QD1 ILE 124 lone 2 98 - 2 - HB3 GLU 94 - QD1 ILE 124 lone 2 60 - 3 - Peak 5372 from cnoeabs.peaks (0.96, 0.89, 13.31 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 124 + QD1 ILE 124 OK 100 100 - 100 - 3.2=100 QD1 LEU 41 - QD1 ILE 124 OK 34 68 - 50 - 2.1/2803=6, 3.1/5371=5...(22) HG2 LYS 65 - QD1 ILE 124 OK 31 76 - 41 - 3.0/5373=5, 3.0/5373=5...(18) HG3 LYS 65 - QD1 ILE 124 OK 31 76 - 41 - 3.0/5373=5, 3.0/5373=5...(18) QD1 LEU 101 - QD1 ILE 124 OK 18 63 - 28 - 2.1/8121=13, 7725/4.7=2...(7) QD1 ILE 63 - QD1 ILE 124 OK 13 89 - 15 - 3534/4.2=2, 8309/3.2=2...(6) QD1 LEU 55 - QD1 ILE 124 poor 9 76 - 11 - 5365/2.1=1, 5344/3.2=1...(4) QG1 VAL 18 - QD1 ILE 124 lone 5 65 - 7 - 2.1/6360=1 QG2 THR 95 - QD1 ILE 124 lone 5 89 - 5 - 3.2/8119=1 Peak 5373 from cnoeabs.peaks (1.55, 0.89, 13.31 ppm; 2.96 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 124 + QD1 ILE 124 OK 100 100 - 100 - 2.1=100 HB3 LYS 65 - QD1 ILE 124 OK 31 99 - 32 - 5366/2.1=5, 5345/3.2=4...(12) HB2 LYS 65 - QD1 ILE 124 OK 31 99 - 32 - 5366/2.1=5, 5345/3.2=4...(12) HD3 LYS 46 - QD1 ILE 124 OK 11 73 - 15 - 5366/2.1=2, 5345/3.2=1...(5) HG3 LYS 109 - QD1 ILE 124 lone 7 100 - 7 - 5366/2.1=1 HG2 ARG 57 - QD1 ILE 124 lone 4 63 - 6 - HG2 ARG 81 - QD1 ILE 124 lone 2 63 - 3 - HG3 ARG 81 - QD1 ILE 124 lone 2 63 - 3 - Peak 5374 from cnoeabs.peaks (1.24, 0.89, 13.31 ppm; 3.05 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 124 + QD1 ILE 124 OK 100 100 - 100 - 2.1=100 HG3 LYS 32 - QD1 ILE 124 OK 16 81 - 19 - 3.8/8118=2, 5360/2.1=2...(7) HG2 LYS 32 - QD1 ILE 124 OK 14 73 - 19 - 3.8/8118=2, 5360/2.1=2...(7) QD1 ILE 80 - QD1 ILE 124 OK 13 60 - 22 - 4102=2, 5360/2.1=2...(10) QG2 ILE 80 - QD1 ILE 124 OK 13 63 - 21 - 3.2/4102=2, 5360/2.1=2...(9) HB3 LEU 111 - QD1 ILE 124 OK 10 68 - 15 - 1.8/8120=3, 5353/3.2=2...(5) HG LEU 77 - QD1 ILE 124 lone 7 99 - 7 - 5360/2.1=1 HB3 LEU 24 - QD1 ILE 124 lone 5 81 - 6 - QG2 THR 19 - QD1 ILE 124 lone 4 87 - 4 - 6375/3.2=1 Peak 5375 from cnoeabs.peaks (0.89, 0.89, 13.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 124 + QD1 ILE 124 OK 100 100 - 100 Peak 5376 from cnoeabs.peaks (8.32, 3.95, 45.33 ppm; 3.05 A): 2 out of 15 assignments used, quality = 1.00: * H GLY 125 + HA2 GLY 125 OK 100 100 - 100 - 3.0=100 H GLY 125 + HA3 GLY 125 OK 100 100 - 100 - 3.0=100 H SER 74 - HA2 GLY 125 lone 4 78 - 5 - H SER 74 - HA3 GLY 125 lone 4 78 - 5 - H CYS 87 - HA3 GLY 125 lone 4 85 - 4 - 644/3.6=1 H CYS 87 - HA2 GLY 125 lone 4 85 - 4 - 644/3.6=1 H ILE 22 - HA2 GLY 25 poor 3 33 - 11 - ~6421=4, ~6489=2...(4) H THR 62 - HA2 GLY 125 lone 3 100 - 3 - 644/3.6=2 H THR 62 - HA3 GLY 125 lone 3 100 - 3 - 644/3.6=2 H ILE 22 - HA2 GLY 125 lone 2 78 - 3 - 644/3.6=1 H ILE 22 - HA3 GLY 125 lone 2 78 - 3 - 644/3.6=1 H GLY 125 - HA2 GLY 25 lone 1 50 - 3 - H CYS 87 - HA2 GLY 25 lone 1 37 - 2 - H SER 74 - HA2 GLY 25 lone 1 33 - 2 - H THR 62 - HA2 GLY 25 lone 1 50 - 1 - Peak 5377 from cnoeabs.peaks (3.95, 3.95, 45.33 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HA3 GLY 125 + HA3 GLY 125 OK 100 100 - 100 * HA2 GLY 125 + HA2 GLY 125 OK 100 100 - 100 HA2 GLY 25 - HA2 GLY 25 OK 38 38 - 100 Peak 5378 from cnoeabs.peaks (3.95, 3.95, 45.33 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HA3 GLY 125 + HA3 GLY 125 OK 100 100 - 100 HA2 GLY 125 + HA2 GLY 125 OK 100 100 - 100 HA2 GLY 25 - HA2 GLY 25 OK 38 38 - 100 Reference assignment not found: HA3 GLY 125 - HA2 GLY 125 Peak 5379 from cnoeabs.peaks (8.32, 3.95, 45.33 ppm; 3.05 A): 2 out of 15 assignments used, quality = 1.00: H GLY 125 + HA2 GLY 125 OK 100 100 - 100 - 3.0=100 * H GLY 125 + HA3 GLY 125 OK 100 100 - 100 - 3.0=100 H SER 74 - HA2 GLY 125 lone 4 78 - 5 - H SER 74 - HA3 GLY 125 lone 4 78 - 5 - H CYS 87 - HA3 GLY 125 lone 4 85 - 4 - 644/3.6=1 H CYS 87 - HA2 GLY 125 lone 4 85 - 4 - 644/3.6=1 H ILE 22 - HA2 GLY 25 poor 3 33 - 11 - ~6421=4, ~6489=2...(4) H THR 62 - HA2 GLY 125 lone 3 100 - 3 - 644/3.6=2 H THR 62 - HA3 GLY 125 lone 3 100 - 3 - 644/3.6=2 H ILE 22 - HA2 GLY 125 lone 2 78 - 3 - 644/3.6=1 H ILE 22 - HA3 GLY 125 lone 2 78 - 3 - 644/3.6=1 H GLY 125 - HA2 GLY 25 lone 1 50 - 3 - H CYS 87 - HA2 GLY 25 lone 1 37 - 2 - H SER 74 - HA2 GLY 25 lone 1 33 - 2 - H THR 62 - HA2 GLY 25 lone 1 50 - 1 - Peak 5380 from cnoeabs.peaks (3.95, 3.95, 45.33 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HA3 GLY 125 + HA3 GLY 125 OK 100 100 - 100 HA2 GLY 125 + HA2 GLY 125 OK 100 100 - 100 HA2 GLY 25 - HA2 GLY 25 OK 38 38 - 100 Reference assignment not found: HA2 GLY 125 - HA3 GLY 125 Peak 5381 from cnoeabs.peaks (3.95, 3.95, 45.33 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA3 GLY 125 + HA3 GLY 125 OK 100 100 - 100 HA2 GLY 125 + HA2 GLY 125 OK 100 100 - 100 HA2 GLY 25 - HA2 GLY 25 OK 38 38 - 100 Peak 5382 from cnoeabs.peaks (7.72, 4.21, 56.20 ppm; 3.49 A): 1 out of 14 assignments used, quality = 1.00: * H LEU 126 + HA LEU 126 OK 100 100 - 100 - 2.9=100 H LEU 91 - HA ARG 92 OK 15 51 - 29 - 443/3.0=11, 7583=8...(6) H SER 90 - HA ARG 92 OK 12 75 - 17 - 436/3.0=8, 4.6/7583=5...(4) H LEU 58 - HA LEU 126 OK 11 100 - 11 - 5417/4.0=2, 5410/4.0=2...(5) H LEU 58 - HA ARG 92 poor 8 75 - 11 - 266/3.0=2, 1047/3.0=2, 443/3.0=2 H ASN 118 - HA LEU 126 lone 6 96 - 6 - 5410/4.0=2, 5417/4.0=1 H LEU 126 - HA ARG 92 lone 6 75 - 7 - 1420=2 H SER 90 - HA LEU 126 lone 5 100 - 5 - H ASN 118 - HA ARG 92 lone 4 67 - 6 - 443/3.0=3, 7612/3.6=2 H LEU 91 - HA LEU 126 lone 4 78 - 5 - 7583=1 HE21 GLN 103 - HA LEU 126 lone 2 92 - 2 - H LEU 111 - HA LEU 126 lone 1 71 - 2 - H LEU 111 - HA ARG 92 lone 1 46 - 2 - ~6219=1 HE21 GLN 103 - HA ARG 92 lone 0 63 - 1 - Peak 5383 from cnoeabs.peaks (4.21, 4.21, 56.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 126 + HA LEU 126 OK 100 100 - 100 HA ARG 92 + HA ARG 92 OK 49 49 - 100 Peak 5384 from cnoeabs.peaks (1.60, 4.21, 56.20 ppm; 2.92 A): 3 out of 34 assignments used, quality = 1.00: * HB2 LEU 126 + HA LEU 126 OK 98 100 - 98 - 3.0=95, 3.1/5418=13...(24) HB3 LEU 126 + HA LEU 126 OK 98 100 - 98 - 3.0=95, 3.1/5418=13...(24) HG LEU 126 + HA LEU 126 OK 68 99 - 69 - 4.3=32, 2.1/5418=18...(22) HG2 ARG 53 - HA ARG 92 OK 16 71 - 23 - 1.8/8430=3, 3.0/8429=2...(10) HB2 LEU 59 - HA LEU 126 OK 12 78 - 15 - 3.2/5388=2, 5397=2...(5) HG2 ARG 53 - HA LEU 126 lone 9 99 - 9 - 3.0/8429=2, 3.0/8428=1 HG2 ARG 57 - HA LEU 126 lone 4 78 - 5 - HG2 PRO 30 - HA LEU 126 lone 4 97 - 4 - HG12 ILE 63 - HA ARG 92 lone 4 75 - 5 - HB2 LEU 126 - HA ARG 92 lone 3 75 - 4 - HB3 LEU 126 - HA ARG 92 lone 3 75 - 4 - HG2 ARG 57 - HA ARG 92 lone 3 51 - 6 - HG12 ILE 63 - HA LEU 126 lone 3 100 - 3 - HG2 ARG 81 - HA ARG 92 lone 2 51 - 4 - HG3 ARG 81 - HA ARG 92 lone 2 51 - 4 - HG LEU 126 - HA ARG 92 lone 2 72 - 3 - HG3 ARG 81 - HA LEU 126 lone 2 78 - 2 - HG2 ARG 81 - HA LEU 126 lone 2 78 - 2 - HD3 LYS 119 - HA LEU 126 lone 1 100 - 1 - HD2 LYS 119 - HA LEU 126 lone 1 99 - 1 - HD3 LYS 31 - HA ARG 92 lone 1 57 - 2 - HD2 LYS 31 - HA ARG 92 lone 1 57 - 2 - HD3 LYS 31 - HA LEU 126 lone 1 85 - 1 - HD2 LYS 31 - HA LEU 126 lone 1 85 - 1 - HD3 LYS 32 - HA LEU 126 lone 1 99 - 1 - HD2 LYS 32 - HA LEU 126 lone 1 99 - 1 - HG LEU 101 - HA LEU 126 lone 1 89 - 1 - HD3 LYS 119 - HA ARG 92 lone 1 74 - 1 - HD2 LYS 119 - HA ARG 92 lone 1 73 - 1 - HG LEU 101 - HA ARG 92 lone 1 60 - 1 - HB2 LEU 59 - HA ARG 92 lone 1 51 - 1 - HD2 LYS 32 - HA ARG 92 lone 1 71 - 1 - HD3 LYS 32 - HA ARG 92 lone 1 71 - 1 - HG2 PRO 30 - HA ARG 92 lone 1 69 - 1 - Peak 5385 from cnoeabs.peaks (1.60, 4.21, 56.20 ppm; 2.92 A): 3 out of 34 assignments used, quality = 1.00: * HB3 LEU 126 + HA LEU 126 OK 98 100 - 98 - 3.0=95, 3.1/5418=13...(24) HB2 LEU 126 + HA LEU 126 OK 98 100 - 98 - 3.0=95, 3.1/5418=13...(24) HG LEU 126 + HA LEU 126 OK 68 99 - 69 - 4.3=32, 2.1/5418=18...(22) HG2 ARG 53 - HA ARG 92 OK 17 72 - 23 - 1.8/8430=3, 3.0/8429=2...(10) HB2 LEU 59 - HA LEU 126 OK 12 81 - 15 - 3.2/5388=2, 5397=2...(5) HG2 ARG 53 - HA LEU 126 lone 9 99 - 9 - 3.0/8429=2, 3.0/8428=1 HG2 ARG 57 - HA LEU 126 lone 4 76 - 5 - HG2 PRO 30 - HA LEU 126 lone 4 97 - 4 - HG12 ILE 63 - HA ARG 92 lone 4 75 - 5 - HB3 LEU 126 - HA ARG 92 lone 3 75 - 4 - HB2 LEU 126 - HA ARG 92 lone 3 75 - 4 - HG12 ILE 63 - HA LEU 126 lone 3 100 - 3 - HG2 ARG 57 - HA ARG 92 lone 3 49 - 6 - HG2 ARG 81 - HA ARG 92 lone 2 49 - 4 - HG3 ARG 81 - HA ARG 92 lone 2 49 - 4 - HG LEU 126 - HA ARG 92 lone 2 71 - 3 - HG3 ARG 81 - HA LEU 126 lone 1 76 - 2 - HG2 ARG 81 - HA LEU 126 lone 1 76 - 2 - HD3 LYS 119 - HA LEU 126 lone 1 99 - 1 - HD2 LYS 119 - HA LEU 126 lone 1 99 - 1 - HD3 LYS 31 - HA ARG 92 lone 1 59 - 2 - HD2 LYS 31 - HA ARG 92 lone 1 59 - 2 - HD3 LYS 31 - HA LEU 126 lone 1 87 - 1 - HD2 LYS 31 - HA LEU 126 lone 1 87 - 1 - HD3 LYS 32 - HA LEU 126 lone 1 99 - 1 - HD2 LYS 32 - HA LEU 126 lone 1 99 - 1 - HG LEU 101 - HA LEU 126 lone 1 90 - 1 - HD3 LYS 119 - HA ARG 92 lone 1 73 - 1 - HD2 LYS 119 - HA ARG 92 lone 1 72 - 1 - HG LEU 101 - HA ARG 92 lone 1 62 - 1 - HB2 LEU 59 - HA ARG 92 lone 1 53 - 1 - HD2 LYS 32 - HA ARG 92 lone 1 72 - 1 - HD3 LYS 32 - HA ARG 92 lone 1 72 - 1 - HG2 PRO 30 - HA ARG 92 lone 1 70 - 1 - Peak 5386 from cnoeabs.peaks (1.59, 4.21, 56.20 ppm; 2.92 A): 3 out of 34 assignments used, quality = 1.00: HB2 LEU 126 + HA LEU 126 OK 97 99 - 98 - 3.0=95, 3.1/5418=13...(24) HB3 LEU 126 + HA LEU 126 OK 97 99 - 98 - 3.0=95, 3.1/5418=13...(24) * HG LEU 126 + HA LEU 126 OK 68 100 - 69 - 4.3=32, 2.1/5418=18...(22) HG2 ARG 53 - HA ARG 92 OK 14 63 - 23 - 1.8/8430=3, 3.0/8429=2...(10) HB2 LEU 59 - HA LEU 126 poor 9 60 - 15 - 3.2/5388=2, 5397=2...(5) HG2 ARG 53 - HA LEU 126 lone 9 92 - 9 - 3.0/8429=2, 3.0/8428=1 HG2 ARG 57 - HA LEU 126 lone 5 92 - 5 - HG2 ARG 57 - HA ARG 92 lone 4 63 - 7 - HG12 ILE 63 - HA ARG 92 lone 3 72 - 5 - HG2 PRO 30 - HA LEU 126 lone 3 87 - 4 - HB2 LEU 126 - HA ARG 92 lone 3 72 - 4 - HB3 LEU 126 - HA ARG 92 lone 3 71 - 4 - HG12 ILE 63 - HA LEU 126 lone 3 99 - 3 - HG2 ARG 81 - HA ARG 92 lone 3 63 - 4 - HG3 ARG 81 - HA ARG 92 lone 3 63 - 4 - HG LEU 126 - HA ARG 92 lone 2 75 - 3 - HG3 ARG 81 - HA LEU 126 lone 2 92 - 2 - HG2 ARG 81 - HA LEU 126 lone 2 92 - 2 - HD2 LYS 119 - HA LEU 126 lone 1 100 - 1 - HD3 LYS 119 - HA LEU 126 lone 1 100 - 1 - HD2 LYS 119 - HA ARG 92 lone 1 75 - 1 - HD3 LYS 119 - HA ARG 92 lone 1 75 - 1 - HD3 LYS 31 - HA ARG 92 lone 1 44 - 2 - HD2 LYS 31 - HA ARG 92 lone 1 44 - 2 - HD3 LYS 32 - HA LEU 126 lone 1 92 - 1 - HD2 LYS 32 - HA LEU 126 lone 1 92 - 1 - HD3 LYS 31 - HA LEU 126 lone 1 68 - 1 - HD2 LYS 31 - HA LEU 126 lone 1 68 - 1 - HG LEU 101 - HA LEU 126 lone 1 73 - 1 - HD3 LYS 32 - HA ARG 92 lone 1 63 - 1 - HD2 LYS 32 - HA ARG 92 lone 1 63 - 1 - HG LEU 101 - HA ARG 92 lone 1 48 - 1 - HG2 PRO 30 - HA ARG 92 lone 1 59 - 1 - HB2 LEU 59 - HA ARG 92 lone 1 38 - 1 - Peak 5387 from cnoeabs.peaks (0.91, 4.21, 56.20 ppm; 3.95 A): 1 out of 28 assignments used, quality = 0.99: * QD1 LEU 126 + HA LEU 126 OK 99 100 - 99 - 4.0=99 QG2 VAL 49 - HA LEU 126 OK 26 96 - 27 - 2.1/6905=5, 5422/4.0=3...(13) QG2 ILE 22 - HA LEU 126 OK 17 90 - 19 - 2155=2, 2.1/2148=2...(7) QG1 VAL 49 - HA LEU 126 OK 17 68 - 25 - 6905=4, 6904/3.0=3...(12) QD2 LEU 59 - HA LEU 126 OK 14 68 - 21 - 5422/4.0=2, 7082/2.9=2...(12) QD1 LEU 117 - HA LEU 126 OK 11 100 - 11 - 1424/2.9=2, ~5910=1...(4) QD1 LEU 55 - HA LEU 126 OK 11 65 - 16 - ~8128=2, ~7020=2...(7) QD1 LEU 41 - HA LEU 126 lone 7 73 - 10 - ~8128=1, 5422/4.0=1 QD2 LEU 27 - HA LEU 126 lone 7 92 - 7 - QD2 LEU 41 - HA LEU 126 lone 7 85 - 8 - ~8128=1, 1424/2.9=1, 5422/4.0=1 QD1 LEU 55 - HA ARG 92 poor 7 42 - 16 - 7003/3.6=5, 6908=2...(5) QD1 ILE 124 - HA LEU 126 lone 7 81 - 8 - ~8128=3, 1424/2.9=2 QD1 LEU 27 - HA LEU 126 lone 6 87 - 7 - QG2 VAL 115 - HA LEU 126 lone 5 90 - 6 - QD1 LEU 117 - HA ARG 92 lone 4 75 - 6 - 7003/3.6=2 QD2 LEU 27 - HA ARG 92 lone 4 63 - 6 - 6533/3.6=3 QD1 LEU 126 - HA ARG 92 lone 4 75 - 5 - 2.1/5418=1 QG2 VAL 49 - HA ARG 92 lone 3 67 - 5 - 2.1/6905=1 QD2 LEU 41 - HA ARG 92 lone 2 57 - 4 - QD1 LEU 27 - HA ARG 92 lone 2 59 - 4 - 8409/3.6=1 QG2 ILE 22 - HA ARG 92 lone 2 62 - 4 - QG1 VAL 49 - HA ARG 92 lone 2 44 - 5 - QD1 LEU 41 - HA ARG 92 lone 2 48 - 4 - HB2 GLN 42 - HA LEU 126 lone 2 98 - 2 - QG2 VAL 115 - HA ARG 92 lone 1 62 - 2 - QD2 LEU 59 - HA ARG 92 lone 1 44 - 3 - HB2 GLN 42 - HA ARG 92 lone 1 71 - 1 - QD1 ILE 124 - HA ARG 92 lone 1 53 - 1 - Peak 5388 from cnoeabs.peaks (0.87, 4.21, 56.20 ppm; 3.05 A): 4 out of 16 assignments used, quality = 0.83: * QD2 LEU 126 + HA LEU 126 OK 73 100 - 73 - 4.0=46, 2.1/5404=8...(18) QG1 VAL 49 + HA LEU 126 OK 18 97 - 19 - 6905=4, 6904/3.0=2...(7) QD2 LEU 59 + HA LEU 126 OK 14 97 - 15 - 1425/2.9=2, 5416/4.0=2...(5) QD2 LEU 114 + HA ARG 92 OK 11 55 - 20 - 7948/3.6=6, 5084/3.0=2, ~5070=1 QD2 LEU 55 - HA LEU 126 lone 7 73 - 9 - 1425/2.9=1, ~8128=1 QD1 ILE 124 - HA LEU 126 lone 5 92 - 6 - ~8128=2, 1425/2.9=2 QD2 LEU 41 - HA LEU 126 lone 5 89 - 5 - QD2 LEU 55 - HA ARG 92 lone 3 48 - 7 - 2.1/3752=1 HG13 ILE 80 - HA LEU 126 lone 3 100 - 3 - QD2 LEU 114 - HA LEU 126 lone 3 83 - 3 - QD2 LEU 126 - HA ARG 92 lone 3 75 - 3 - 5418=1 QG1 VAL 49 - HA ARG 92 lone 3 70 - 4 - QD2 LEU 41 - HA ARG 92 lone 2 60 - 3 - QD2 LEU 59 - HA ARG 92 lone 1 70 - 1 - HG13 ILE 80 - HA ARG 92 lone 0 74 - 1 - QD1 ILE 124 - HA ARG 92 lone 0 63 - 0 - Peak 5389 from cnoeabs.peaks (7.72, 1.60, 43.04 ppm; 3.04 A): 4 out of 21 assignments used, quality = 0.94: * H LEU 126 + HB2 LEU 126 OK 72 100 - 72 - 4.0=44, 1422/1.8=12...(13) H LEU 126 + HB3 LEU 126 OK 72 100 - 72 - 4.0=44, 1423/1.8=12...(13) H LEU 58 + HB3 LEU 126 OK 11 100 - 11 - 5417/3.1=2, 5403/3.0=2...(5) H LEU 58 + HB2 LEU 126 OK 11 100 - 11 - 5417/3.1=2, 5403/3.0=2...(5) H ASN 118 - HB2 LEU 59 poor 10 63 - 15 - 271/3.7=5, 1377/3.2=2...(5) H LEU 58 - HB2 LEU 59 poor 9 70 - 13 - 1467/3.7=8, 7052/3.2=2 H LEU 126 - HB2 LEU 59 lone 7 70 - 10 - 1425/3.2=2, 271/3.7=2, 1422=2 H ASN 118 - HB3 LEU 126 lone 5 96 - 5 - 5410/3.1=1 H ASN 118 - HB2 LEU 126 lone 5 96 - 5 - 5410/3.1=1 H SER 90 - HB2 LEU 59 lone 4 70 - 6 - 271/3.7=2, 7568/3.2=1 H SER 90 - HB3 LEU 126 lone 3 100 - 3 - H SER 90 - HB2 LEU 126 lone 3 100 - 3 - H LEU 91 - HB3 LEU 126 lone 2 78 - 2 - H LEU 91 - HB2 LEU 126 lone 2 78 - 2 - H LEU 91 - HB2 LEU 59 lone 2 48 - 4 - 271/3.7=1 H LEU 111 - HB2 LEU 59 lone 1 42 - 3 - 271/3.7=1 HE21 GLN 103 - HB2 LEU 126 lone 1 92 - 1 - HE21 GLN 103 - HB3 LEU 126 lone 1 92 - 1 - H LEU 111 - HB3 LEU 126 lone 1 71 - 1 - H LEU 111 - HB2 LEU 126 lone 1 71 - 1 - HE21 GLN 103 - HB2 LEU 59 lone 1 59 - 1 - Peak 5390 from cnoeabs.peaks (4.21, 1.60, 43.04 ppm; 3.12 A): 2 out of 30 assignments used, quality = 1.00: * HA LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.0=100 HA LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.0=100 HA LEU 126 - HB2 LEU 59 OK 12 70 - 17 - 5388/3.2=2, 5385=2...(7) HA CYS 52 - HB3 LEU 126 OK 11 94 - 11 - 5418/3.1=2, 5411/3.1=1 HA CYS 52 - HB2 LEU 126 OK 11 95 - 11 - 5418/3.1=2, 5411/3.1=1 HA ILE 22 - HB3 LEU 126 lone 10 99 - 10 - 5418/3.1=2, 5411/3.1=1 HA ILE 22 - HB2 LEU 126 lone 10 99 - 10 - 5418/3.1=2, 5411/3.1=1 HA ILE 22 - HB2 LEU 59 poor 8 68 - 12 - 6431/3.0=2, 2145/3.2=2, ~7080=1 HA VAL 26 - HB2 LEU 126 lone 7 96 - 7 - 5418/3.1=1 HA VAL 26 - HB3 LEU 126 lone 7 96 - 7 - 5418/3.1=1 HA VAL 66 - HB3 LEU 126 lone 5 99 - 5 - HA VAL 66 - HB2 LEU 126 lone 5 99 - 5 - HA ARG 92 - HB2 LEU 126 lone 4 76 - 5 - HA ARG 92 - HB3 LEU 126 lone 4 76 - 5 - HA SER 13 - HB3 LEU 126 lone 3 99 - 3 - HA SER 13 - HB2 LEU 126 lone 3 99 - 3 - HA PRO 68 - HB2 LEU 126 lone 3 78 - 4 - HA PRO 68 - HB3 LEU 126 lone 3 78 - 4 - HA3 GLY 61 - HB3 LEU 126 lone 3 92 - 3 - HA3 GLY 61 - HB2 LEU 126 lone 3 92 - 3 - HA3 GLY 61 - HB2 LEU 59 lone 1 59 - 3 - 3.6/7096=2 HA CYS 52 - HB2 LEU 59 lone 1 62 - 2 - HA THR 17 - HB2 LEU 126 lone 1 68 - 2 - HA THR 17 - HB3 LEU 126 lone 1 68 - 2 - HA THR 17 - HB2 LEU 59 lone 1 41 - 2 - HA VAL 26 - HB2 LEU 59 lone 1 63 - 1 - HA ARG 92 - HB2 LEU 59 lone 1 46 - 2 - HA VAL 66 - HB2 LEU 59 lone 1 69 - 1 - HA SER 13 - HB2 LEU 59 lone 1 68 - 1 - HA PRO 68 - HB2 LEU 59 lone 1 48 - 1 - Peak 5391 from cnoeabs.peaks (1.60, 1.60, 43.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 HB3 LEU 126 + HB3 LEU 126 OK 100 100 - 100 HB2 LEU 59 + HB2 LEU 59 OK 48 48 - 100 Peak 5392 from cnoeabs.peaks (1.60, 1.60, 43.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LEU 126 + HB3 LEU 126 OK 100 100 - 100 HB2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 HB2 LEU 59 + HB2 LEU 59 OK 50 50 - 100 Reference assignment not found: HB3 LEU 126 - HB2 LEU 126 Peak 5393 from cnoeabs.peaks (1.59, 1.60, 43.04 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 126 + HB2 LEU 126 OK 99 99 - 100 HB3 LEU 126 + HB3 LEU 126 OK 99 99 - 100 HB2 LEU 59 - HB2 LEU 59 OK 35 35 - 100 Reference assignment not found: HG LEU 126 - HB2 LEU 126 Peak 5394 from cnoeabs.peaks (0.91, 1.60, 43.04 ppm; 2.85 A): 2 out of 42 assignments used, quality = 0.98: QD1 LEU 126 + HB3 LEU 126 OK 87 100 - 87 - 3.1=75, 5414/1.8=8...(17) * QD1 LEU 126 + HB2 LEU 126 OK 87 100 - 87 - 3.1=75, 5414/1.8=8...(17) QD2 LEU 59 - HB2 LEU 59 OK 33 41 - 82 - 3.2=74, 3427/1.8=11...(8) QG2 VAL 49 - HB2 LEU 126 OK 16 96 - 17 - 5422/3.1=2, 2.1/6904=2...(7) QG2 VAL 49 - HB3 LEU 126 OK 16 96 - 17 - 5422/3.1=2, 2.1/6904=2...(7) QD1 LEU 126 - HB2 LEU 59 OK 15 70 - 22 - 5413=3, 5416/3.2=2...(8) QD2 LEU 59 - HB2 LEU 126 OK 14 68 - 21 - 5422/3.1=2, 2.1/3412=1...(11) QD2 LEU 59 - HB3 LEU 126 OK 14 68 - 21 - 5422/3.1=2, 2.1/3412=2...(10) QD1 LEU 117 - HB2 LEU 59 OK 13 70 - 18 - 3425/3.0=2, 3427/1.8=2...(8) QG1 VAL 49 - HB2 LEU 126 poor 10 68 - 14 - 6905/3.0=2, 6904=1...(6) QG1 VAL 49 - HB3 LEU 126 poor 10 68 - 14 - 6905/3.0=2, 6904=1...(6) QD2 LEU 27 - HB2 LEU 59 poor 8 59 - 14 - 2299/3.0=2, ~8619=1...(4) QD1 LEU 27 - HB2 LEU 59 poor 8 55 - 15 - 8265/1.8=2, ~8619=1...(4) QG2 ILE 22 - HB2 LEU 126 lone 8 90 - 9 - QG2 ILE 22 - HB3 LEU 126 lone 8 90 - 9 - QG2 ILE 22 - HB2 LEU 59 poor 7 58 - 12 - 2159/3.2=2, ~7080=1 QD1 LEU 55 - HB2 LEU 59 poor 7 39 - 17 - ~3408=2, ~8298=1...(8) QD1 LEU 117 - HB3 LEU 126 lone 5 100 - 5 - QD1 LEU 117 - HB2 LEU 126 lone 5 100 - 5 - QD1 ILE 124 - HB2 LEU 59 lone 5 50 - 10 - 8120/1.8=2, 8120/3.0=1 QD2 LEU 41 - HB3 LEU 126 lone 4 85 - 5 - QD2 LEU 41 - HB2 LEU 126 lone 4 85 - 5 - QD1 LEU 41 - HB2 LEU 126 lone 4 73 - 6 - QD1 LEU 41 - HB3 LEU 126 lone 4 73 - 6 - QD1 LEU 55 - HB2 LEU 126 lone 4 65 - 6 - QD1 LEU 55 - HB3 LEU 126 lone 4 65 - 6 - QD2 LEU 41 - HB2 LEU 59 lone 3 53 - 6 - QD1 ILE 124 - HB3 LEU 126 lone 3 81 - 4 - QD1 ILE 124 - HB2 LEU 126 lone 3 81 - 4 - QD2 LEU 27 - HB2 LEU 126 lone 3 92 - 3 - QD2 LEU 27 - HB3 LEU 126 lone 3 92 - 3 - QG2 VAL 115 - HB2 LEU 126 lone 3 90 - 3 - QG2 VAL 115 - HB3 LEU 126 lone 3 90 - 3 - QD1 LEU 27 - HB2 LEU 126 lone 2 87 - 3 - QD1 LEU 27 - HB3 LEU 126 lone 2 87 - 3 - QD1 LEU 41 - HB2 LEU 59 lone 2 44 - 5 - 8265/1.8=1 QG2 VAL 115 - HB2 LEU 59 lone 2 58 - 4 - QG2 VAL 49 - HB2 LEU 59 lone 2 63 - 3 - HB2 GLN 42 - HB2 LEU 59 lone 2 66 - 3 - QG1 VAL 49 - HB2 LEU 59 lone 2 41 - 4 - HB2 GLN 42 - HB2 LEU 126 lone 1 98 - 1 - HB2 GLN 42 - HB3 LEU 126 lone 1 98 - 1 - Peak 5395 from cnoeabs.peaks (0.87, 1.60, 43.04 ppm; 2.96 A): 3 out of 24 assignments used, quality = 1.00: QD2 LEU 126 + HB3 LEU 126 OK 92 100 - 92 - 3.1=84, 5418/3.0=14...(16) * QD2 LEU 126 + HB2 LEU 126 OK 92 100 - 92 - 3.1=84, 5418/3.0=14...(16) QD2 LEU 59 + HB2 LEU 59 OK 59 65 - 90 - 3.2=82, 3427/1.8=16...(8) QD2 LEU 59 - HB2 LEU 126 OK 25 97 - 26 - 5416/3.1=3, 5409/3.0=2...(13) QD2 LEU 59 - HB3 LEU 126 OK 25 97 - 26 - 5416/3.1=3, 5409/3.0=2...(13) QD2 LEU 126 - HB2 LEU 59 OK 20 70 - 29 - 3409/1.8=4, 5420=3...(12) QG1 VAL 49 - HB2 LEU 126 OK 19 97 - 19 - 5388/3.0=3, 5416/3.1=3...(6) QG1 VAL 49 - HB3 LEU 126 OK 19 97 - 19 - 5388/3.0=3, 5416/3.1=3...(6) HG13 ILE 80 - HB2 LEU 59 poor 10 70 - 14 - 3409/1.8=2, 3416/3.0=2...(6) QD1 ILE 124 - HB2 LEU 59 poor 8 59 - 13 - 3409/1.8=2, 3416/3.0=2...(5) QD2 LEU 55 - HB2 LEU 59 poor 7 44 - 15 - ~8298=2, ~7080=2...(5) QD2 LEU 41 - HB3 LEU 126 lone 6 89 - 7 - 5416/3.1=1 QD2 LEU 41 - HB2 LEU 126 lone 6 89 - 7 - 5416/3.1=1 QD2 LEU 114 - HB2 LEU 59 poor 6 51 - 11 - 7959/1.8=3, 7955/3.7=2 QD2 LEU 41 - HB2 LEU 59 lone 6 56 - 10 - 3409/1.8=2, 7089/4.8=1...(4) QD2 LEU 55 - HB2 LEU 126 lone 5 73 - 7 - 5388/3.0=1 QD2 LEU 55 - HB3 LEU 126 lone 5 73 - 7 - 5388/3.0=1 QD1 ILE 124 - HB3 LEU 126 lone 5 92 - 5 - 1425/4.0=1 QD1 ILE 124 - HB2 LEU 126 lone 5 92 - 5 - 1425/4.0=1 QG1 VAL 49 - HB2 LEU 59 lone 5 65 - 7 - HG13 ILE 80 - HB3 LEU 126 lone 4 100 - 4 - HG13 ILE 80 - HB2 LEU 126 lone 4 100 - 4 - QD2 LEU 114 - HB3 LEU 126 lone 2 83 - 3 - QD2 LEU 114 - HB2 LEU 126 lone 2 83 - 3 - Peak 5396 from cnoeabs.peaks (7.72, 1.60, 43.04 ppm; 3.04 A): 5 out of 21 assignments used, quality = 0.94: * H LEU 126 + HB3 LEU 126 OK 72 100 - 72 - 4.0=44, 1423/1.8=12...(13) H LEU 126 + HB2 LEU 126 OK 72 100 - 72 - 4.0=44, 1422/1.8=12...(13) H LEU 58 + HB2 LEU 126 OK 11 100 - 11 - 5417/3.1=2, 5403/3.0=2...(5) H LEU 58 + HB3 LEU 126 OK 11 100 - 11 - 5417/3.1=2, 5403/3.0=2...(5) H ASN 118 + HB2 LEU 59 OK 10 65 - 16 - 271/3.7=5, 1377/3.2=2...(5) H LEU 58 - HB2 LEU 59 poor 10 72 - 13 - 1467/3.7=8, 7052/3.2=2 H LEU 126 - HB2 LEU 59 lone 7 73 - 10 - 1425/3.2=2, 271/3.7=2, 1422=2 H ASN 118 - HB3 LEU 126 lone 5 96 - 5 - 5410/3.1=1 H ASN 118 - HB2 LEU 126 lone 5 96 - 5 - 5410/3.1=1 H SER 90 - HB2 LEU 59 lone 4 72 - 6 - 271/3.7=2, 7568/3.2=1 H SER 90 - HB3 LEU 126 lone 3 100 - 3 - H SER 90 - HB2 LEU 126 lone 3 100 - 3 - H LEU 91 - HB3 LEU 126 lone 2 78 - 2 - H LEU 91 - HB2 LEU 126 lone 2 78 - 2 - H LEU 91 - HB2 LEU 59 lone 2 50 - 4 - 271/3.7=1 H LEU 111 - HB2 LEU 59 lone 1 44 - 3 - 271/3.7=1 HE21 GLN 103 - HB3 LEU 126 lone 1 92 - 1 - HE21 GLN 103 - HB2 LEU 126 lone 1 92 - 1 - H LEU 111 - HB3 LEU 126 lone 1 71 - 1 - H LEU 111 - HB2 LEU 126 lone 1 71 - 1 - HE21 GLN 103 - HB2 LEU 59 lone 1 61 - 1 - Peak 5397 from cnoeabs.peaks (4.21, 1.60, 43.04 ppm; 3.12 A): 2 out of 30 assignments used, quality = 1.00: * HA LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.0=100 HA LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.0=100 HA LEU 126 - HB2 LEU 59 OK 13 73 - 17 - 5388/3.2=2, 5385=2...(7) HA CYS 52 - HB3 LEU 126 OK 11 95 - 11 - 5418/3.1=2, 5411/3.1=1 HA CYS 52 - HB2 LEU 126 OK 11 94 - 11 - 5418/3.1=2, 5411/3.1=1 HA ILE 22 - HB3 LEU 126 lone 10 99 - 10 - 5418/3.1=2, 5411/3.1=1 HA ILE 22 - HB2 LEU 126 lone 10 99 - 10 - 5418/3.1=2, 5411/3.1=1 HA ILE 22 - HB2 LEU 59 poor 8 70 - 12 - 6431/3.0=2, 2145/3.2=2, ~7080=1 HA VAL 26 - HB2 LEU 126 lone 7 96 - 7 - 5418/3.1=1 HA VAL 26 - HB3 LEU 126 lone 6 96 - 7 - 5418/3.1=1 HA VAL 66 - HB3 LEU 126 lone 5 99 - 5 - HA VAL 66 - HB2 LEU 126 lone 5 99 - 5 - HA ARG 92 - HB3 LEU 126 lone 4 76 - 5 - HA ARG 92 - HB2 LEU 126 lone 4 76 - 5 - HA SER 13 - HB3 LEU 126 lone 3 99 - 3 - HA SER 13 - HB2 LEU 126 lone 3 99 - 3 - HA PRO 68 - HB3 LEU 126 lone 3 78 - 4 - HA PRO 68 - HB2 LEU 126 lone 3 78 - 4 - HA3 GLY 61 - HB3 LEU 126 lone 3 92 - 3 - HA3 GLY 61 - HB2 LEU 126 lone 3 92 - 3 - HA3 GLY 61 - HB2 LEU 59 lone 2 61 - 3 - 3.6/7096=2 HA CYS 52 - HB2 LEU 59 lone 1 64 - 2 - HA THR 17 - HB3 LEU 126 lone 1 68 - 2 - HA THR 17 - HB2 LEU 126 lone 1 68 - 2 - HA THR 17 - HB2 LEU 59 lone 1 42 - 2 - HA VAL 26 - HB2 LEU 59 lone 1 65 - 1 - HA ARG 92 - HB2 LEU 59 lone 1 48 - 2 - HA VAL 66 - HB2 LEU 59 lone 1 71 - 1 - HA SER 13 - HB2 LEU 59 lone 1 70 - 1 - HA PRO 68 - HB2 LEU 59 lone 1 50 - 1 - Peak 5398 from cnoeabs.peaks (1.60, 1.60, 43.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LEU 126 + HB3 LEU 126 OK 100 100 - 100 HB2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 HB2 LEU 59 + HB2 LEU 59 OK 50 50 - 100 Reference assignment not found: HB2 LEU 126 - HB3 LEU 126 Peak 5399 from cnoeabs.peaks (1.60, 1.60, 43.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 126 + HB3 LEU 126 OK 100 100 - 100 HB2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 HB2 LEU 59 + HB2 LEU 59 OK 51 51 - 100 Peak 5400 from cnoeabs.peaks (1.59, 1.60, 43.04 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 126 + HB2 LEU 126 OK 99 99 - 100 HB3 LEU 126 + HB3 LEU 126 OK 99 99 - 100 HB2 LEU 59 - HB2 LEU 59 OK 36 36 - 100 Reference assignment not found: HG LEU 126 - HB3 LEU 126 Peak 5401 from cnoeabs.peaks (0.91, 1.60, 43.04 ppm; 2.85 A): 2 out of 42 assignments used, quality = 0.98: * QD1 LEU 126 + HB3 LEU 126 OK 87 100 - 87 - 3.1=75, 5414/1.8=8...(17) QD1 LEU 126 + HB2 LEU 126 OK 87 100 - 87 - 3.1=75, 5414/1.8=8...(17) QD2 LEU 59 - HB2 LEU 59 OK 35 42 - 82 - 3.2=74, 3427/1.8=11...(8) QG2 VAL 49 - HB3 LEU 126 OK 16 96 - 17 - 5422/3.1=2, 2.1/6904=2...(7) QG2 VAL 49 - HB2 LEU 126 OK 16 96 - 17 - 5422/3.1=2, 2.1/6904=2...(7) QD1 LEU 126 - HB2 LEU 59 OK 16 73 - 22 - 5413=3, 5416/3.2=2...(8) QD2 LEU 59 - HB3 LEU 126 OK 14 68 - 21 - 5422/3.1=2, 2.1/3412=2...(10) QD2 LEU 59 - HB2 LEU 126 OK 14 68 - 21 - 5422/3.1=2, 2.1/3412=2...(11) QD1 LEU 117 - HB2 LEU 59 OK 13 73 - 18 - 3425/3.0=2, 3427/1.8=2...(8) QG1 VAL 49 - HB3 LEU 126 poor 10 68 - 14 - 6905/3.0=2, 6904=1...(6) QG1 VAL 49 - HB2 LEU 126 poor 10 68 - 14 - 6905/3.0=2, 6904=1...(6) QD2 LEU 27 - HB2 LEU 59 poor 9 61 - 14 - 2299/3.0=2, ~8619=1...(4) QD1 LEU 27 - HB2 LEU 59 poor 8 57 - 15 - 8265/1.8=2, ~8619=1...(4) QG2 ILE 22 - HB3 LEU 126 lone 8 90 - 9 - QG2 ILE 22 - HB2 LEU 126 lone 8 90 - 9 - QG2 ILE 22 - HB2 LEU 59 poor 7 60 - 12 - 2159/3.2=2, ~7080=1 QD1 LEU 55 - HB2 LEU 59 poor 7 40 - 17 - ~3408=2, ~8298=1...(8) QD1 LEU 117 - HB3 LEU 126 lone 5 100 - 5 - QD1 LEU 117 - HB2 LEU 126 lone 5 100 - 5 - QD1 ILE 124 - HB2 LEU 59 lone 5 51 - 10 - 8120/1.8=2, 8120/3.0=1 QD2 LEU 41 - HB3 LEU 126 lone 4 85 - 5 - QD2 LEU 41 - HB2 LEU 126 lone 4 85 - 5 - QD1 LEU 41 - HB3 LEU 126 lone 4 73 - 6 - QD1 LEU 41 - HB2 LEU 126 lone 4 73 - 6 - QD1 LEU 55 - HB3 LEU 126 lone 4 65 - 6 - QD1 LEU 55 - HB2 LEU 126 lone 4 65 - 6 - QD2 LEU 41 - HB2 LEU 59 lone 3 55 - 6 - QD1 ILE 124 - HB3 LEU 126 lone 3 81 - 4 - QD1 ILE 124 - HB2 LEU 126 lone 3 81 - 4 - QD2 LEU 27 - HB3 LEU 126 lone 3 92 - 3 - QD2 LEU 27 - HB2 LEU 126 lone 3 92 - 3 - QG2 VAL 115 - HB3 LEU 126 lone 3 90 - 3 - QG2 VAL 115 - HB2 LEU 126 lone 3 90 - 3 - QD1 LEU 27 - HB3 LEU 126 lone 2 87 - 3 - QD1 LEU 27 - HB2 LEU 126 lone 2 87 - 3 - QD1 LEU 41 - HB2 LEU 59 lone 2 46 - 5 - 8265/1.8=1 QG2 VAL 115 - HB2 LEU 59 lone 2 60 - 4 - QG2 VAL 49 - HB2 LEU 59 lone 2 65 - 3 - HB2 GLN 42 - HB2 LEU 59 lone 2 68 - 3 - QG1 VAL 49 - HB2 LEU 59 lone 2 42 - 4 - HB2 GLN 42 - HB3 LEU 126 lone 1 98 - 1 - HB2 GLN 42 - HB2 LEU 126 lone 1 98 - 1 - Peak 5402 from cnoeabs.peaks (0.87, 1.60, 43.04 ppm; 2.96 A): 3 out of 24 assignments used, quality = 1.00: * QD2 LEU 126 + HB3 LEU 126 OK 92 100 - 92 - 3.1=84, 5418/3.0=14...(16) QD2 LEU 126 + HB2 LEU 126 OK 92 100 - 92 - 3.1=84, 5418/3.0=14...(16) QD2 LEU 59 + HB2 LEU 59 OK 61 67 - 90 - 3.2=82, 3427/1.8=16...(8) QD2 LEU 59 - HB3 LEU 126 OK 26 97 - 27 - 5416/3.1=3, 5409/3.0=2...(13) QD2 LEU 59 - HB2 LEU 126 OK 26 97 - 27 - 5416/3.1=3, 5409/3.0=2...(13) QD2 LEU 126 - HB2 LEU 59 OK 21 73 - 29 - 3409/1.8=4, 5420=3...(12) QG1 VAL 49 - HB3 LEU 126 OK 19 97 - 19 - 5388/3.0=3, 5416/3.1=3...(6) QG1 VAL 49 - HB2 LEU 126 OK 19 97 - 19 - 5388/3.0=3, 5416/3.1=3...(6) HG13 ILE 80 - HB2 LEU 59 OK 10 72 - 14 - 3409/1.8=2, 3416/3.0=2...(6) QD1 ILE 124 - HB2 LEU 59 poor 8 61 - 13 - 3409/1.8=2, 3416/3.0=2...(5) QD2 LEU 55 - HB2 LEU 59 poor 7 46 - 15 - ~8298=2, ~7080=2...(5) QD2 LEU 114 - HB2 LEU 59 poor 6 53 - 11 - 7959/1.8=3, 7955/3.7=2 QD2 LEU 41 - HB3 LEU 126 lone 6 89 - 7 - 5416/3.1=1 QD2 LEU 41 - HB2 LEU 126 lone 6 89 - 7 - 5416/3.1=1 QD2 LEU 41 - HB2 LEU 59 lone 6 58 - 10 - 3409/1.8=2, 7089/4.8=1...(4) QD2 LEU 55 - HB3 LEU 126 lone 6 73 - 8 - 5388/3.0=1 QD2 LEU 55 - HB2 LEU 126 lone 6 73 - 8 - 5388/3.0=1 QD1 ILE 124 - HB3 LEU 126 lone 5 92 - 5 - 1425/4.0=1 QD1 ILE 124 - HB2 LEU 126 lone 5 92 - 5 - 1425/4.0=1 QG1 VAL 49 - HB2 LEU 59 lone 5 67 - 7 - HG13 ILE 80 - HB3 LEU 126 lone 4 100 - 4 - HG13 ILE 80 - HB2 LEU 126 lone 4 100 - 4 - QD2 LEU 114 - HB3 LEU 126 lone 2 83 - 3 - QD2 LEU 114 - HB2 LEU 126 lone 2 83 - 3 - Peak 5403 from cnoeabs.peaks (7.72, 1.59, 26.99 ppm; 3.37 A): 3 out of 21 assignments used, quality = 0.81: * H LEU 126 + HG LEU 126 OK 71 100 - 71 - 4.9=32, 1425/2.1=11...(12) H LEU 58 + HG2 ARG 57 OK 26 78 - 34 - 266/3.0=11, 265/3.0=8...(5) H LEU 58 + HG LEU 126 OK 14 100 - 14 - 5417/2.1=3, 5410/2.1=2...(6) H ASN 118 - HG2 ARG 57 poor 7 70 - 11 - 1466/5.1=3, 5640/3.0=2...(5) H LEU 126 - HG2 ARG 57 lone 7 78 - 9 - 5640/3.0=2, 1423=1...(4) H LEU 91 - HG2 PRO 30 poor 6 49 - 13 - ~2346=2, 1216/3.8=2...(8) H ASN 118 - HG LEU 126 lone 6 96 - 6 - 5410/2.1=2, 5417/2.1=1 H SER 90 - HG2 ARG 57 lone 5 78 - 6 - 5640/3.0=1, 5639/3.0=1 H SER 90 - HG LEU 126 lone 4 100 - 4 - H LEU 58 - HG2 PRO 30 lone 4 71 - 5 - 7069/2.3=1 H LEU 111 - HG2 ARG 57 lone 3 48 - 6 - 1466/5.1=1, 5639/3.0=1 H ASN 118 - HG2 PRO 30 lone 3 64 - 4 - 600/1.8=1 H LEU 91 - HG LEU 126 lone 3 78 - 3 - H SER 90 - HG2 PRO 30 lone 2 71 - 3 - 1719/2.3=2 H LEU 126 - HG2 PRO 30 lone 2 72 - 3 - HE21 GLN 103 - HG2 ARG 57 lone 2 66 - 3 - H LEU 91 - HG2 ARG 57 lone 2 54 - 3 - HE21 GLN 103 - HG LEU 126 lone 2 92 - 2 - H LEU 111 - HG LEU 126 lone 1 71 - 2 - HE21 GLN 103 - HG2 PRO 30 lone 0 60 - 1 - H LEU 111 - HG2 PRO 30 lone 0 43 - 1 - Peak 5404 from cnoeabs.peaks (4.21, 1.59, 26.99 ppm; 3.76 A): 2 out of 30 assignments used, quality = 0.96: * HA LEU 126 + HG LEU 126 OK 94 100 - 94 - 4.3=68, 5418/2.1=27...(24) HA VAL 26 + HG2 ARG 57 OK 37 70 - 53 - 3.2/8220=8, ~7039=6...(19) HA CYS 52 - HG2 ARG 57 OK 17 69 - 24 - 3112/2.9=3, 8284/3.0=3...(13) HA CYS 52 - HG LEU 126 OK 15 95 - 16 - 5418/2.1=3, 5411/2.1=2...(6) HA ILE 22 - HG LEU 126 OK 12 99 - 12 - 5418/2.1=3, 5411/2.1=2...(5) HA VAL 26 - HG LEU 126 OK 10 96 - 11 - 5418/2.1=2, 5411/2.1=2 HA VAL 66 - HG LEU 126 lone 7 99 - 7 - 5418/2.1=2, 5411/2.1=1 HA ILE 22 - HG2 PRO 30 poor 7 69 - 10 - ~6598=3, ~6595=2...(4) HA LEU 126 - HG2 ARG 57 lone 7 78 - 9 - 2.9/5403=1 HA ARG 92 - HG2 ARG 57 poor 6 52 - 12 - 4417/3.0=2 HA SER 13 - HG2 PRO 30 lone 6 69 - 9 - 1889/2.3=1 HA SER 13 - HG LEU 126 lone 5 99 - 5 - 5418/2.1=1, 5411/2.1=1 HA PRO 68 - HG LEU 126 lone 5 78 - 6 - 5418/2.1=1, 5411/2.1=1 HA LEU 126 - HG2 PRO 30 lone 5 72 - 7 - HA VAL 66 - HG2 PRO 30 lone 4 70 - 5 - HA ARG 92 - HG LEU 126 lone 4 76 - 5 - HA ILE 22 - HG2 ARG 57 lone 3 75 - 4 - HA3 GLY 61 - HG LEU 126 lone 3 92 - 3 - HA VAL 26 - HG2 PRO 30 lone 2 64 - 4 - HA SER 13 - HG2 ARG 57 lone 2 75 - 3 - HA VAL 66 - HG2 ARG 57 lone 2 76 - 3 - HA THR 17 - HG LEU 126 lone 2 68 - 3 - HA THR 17 - HG2 PRO 30 lone 2 41 - 5 - 5967/2.3=2, ~8459=1 HA CYS 52 - HG2 PRO 30 lone 2 63 - 3 - HA THR 17 - HG2 ARG 57 lone 1 46 - 3 - HA3 GLY 61 - HG2 ARG 57 lone 1 66 - 2 - HA3 GLY 61 - HG2 PRO 30 lone 1 60 - 2 - HA ARG 92 - HG2 PRO 30 lone 1 47 - 2 - HA PRO 68 - HG2 ARG 57 lone 1 54 - 1 - HA PRO 68 - HG2 PRO 30 lone 0 49 - 1 - Peak 5405 from cnoeabs.peaks (1.60, 1.59, 26.99 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG LEU 126 + HG LEU 126 OK 99 99 - 100 HG2 PRO 30 + HG2 PRO 30 OK 65 65 - 100 HG2 ARG 57 + HG2 ARG 57 OK 54 54 - 100 Reference assignment not found: HB2 LEU 126 - HG LEU 126 Peak 5406 from cnoeabs.peaks (1.60, 1.59, 26.99 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG LEU 126 + HG LEU 126 OK 99 99 - 100 HG2 PRO 30 + HG2 PRO 30 OK 66 66 - 100 HG2 ARG 57 + HG2 ARG 57 OK 52 52 - 100 Reference assignment not found: HB3 LEU 126 - HG LEU 126 Peak 5407 from cnoeabs.peaks (1.59, 1.59, 26.99 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 126 + HG LEU 126 OK 100 100 - 100 HG2 ARG 57 + HG2 ARG 57 OK 66 66 - 100 HG2 PRO 30 + HG2 PRO 30 OK 56 56 - 100 Peak 5408 from cnoeabs.peaks (0.91, 1.59, 26.99 ppm; 3.19 A): 1 out of 42 assignments used, quality = 1.00: * QD1 LEU 126 + HG LEU 126 OK 100 100 - 100 - 2.1=100 QG2 VAL 115 - HG2 PRO 30 OK 23 59 - 39 - 7972/2.3=9, 5115/2.3=6...(15) QG2 VAL 49 - HG LEU 126 OK 20 96 - 21 - 5422/2.1=4, 2.1/6904=3...(10) QD2 LEU 59 - HG LEU 126 OK 17 68 - 25 - 5422/2.1=3, ~3416=2...(7) HB2 GLN 42 - HG2 PRO 30 OK 16 67 - 24 - 2831/1.8=3, 6595/2.3=2...(4) QD1 LEU 117 - HG2 PRO 30 OK 15 71 - 22 - 7086/2.3=3, 6598/2.3=2...(9) QG2 ILE 22 - HG2 PRO 30 OK 15 59 - 26 - ~6439=7, ~6596=3...(9) QG1 VAL 49 - HG LEU 126 OK 13 68 - 19 - 3041/2.1=2, 5422/2.1=2...(9) QD1 LEU 126 - HG2 PRO 30 poor 9 72 - 12 - 5413=2, ~2387=1...(4) QG2 ILE 22 - HG LEU 126 lone 9 90 - 9 - 5422/2.1=1 QD2 LEU 41 - HG LEU 126 lone 7 85 - 8 - 5422/2.1=1 QD1 LEU 41 - HG LEU 126 lone 7 73 - 9 - 5422/2.1=1 QD1 LEU 117 - HG LEU 126 lone 6 100 - 6 - 5422/2.1=1 QD1 LEU 126 - HG2 ARG 57 lone 6 78 - 7 - QD1 ILE 124 - HG LEU 126 lone 5 81 - 6 - 5422/2.1=1 QD2 LEU 27 - HG2 PRO 30 lone 4 60 - 7 - QD1 LEU 55 - HG LEU 126 lone 4 65 - 6 - QG2 VAL 115 - HG LEU 126 lone 4 90 - 4 - QD1 LEU 27 - HG2 PRO 30 lone 4 56 - 6 - QD2 LEU 59 - HG2 PRO 30 lone 4 41 - 9 - 7086/2.3=2, ~7083=2, ~7084=1 QD2 LEU 41 - HG2 ARG 57 lone 3 60 - 5 - 8263/1.8=1 QD2 LEU 27 - HG LEU 126 lone 3 92 - 3 - QD1 LEU 27 - HG LEU 126 lone 3 87 - 3 - QG2 VAL 115 - HG2 ARG 57 lone 3 65 - 4 - 7980/5.1=1 QD2 LEU 41 - HG2 PRO 30 lone 3 54 - 5 - QD1 LEU 41 - HG2 ARG 57 lone 3 50 - 5 - QD1 LEU 41 - HG2 PRO 30 lone 3 45 - 6 - QD2 LEU 27 - HG2 ARG 57 lone 2 66 - 3 - QG2 VAL 49 - HG2 ARG 57 lone 2 70 - 3 - QD1 ILE 124 - HG2 ARG 57 lone 2 56 - 3 - QD1 LEU 27 - HG2 ARG 57 lone 2 61 - 3 - QD1 LEU 117 - HG2 ARG 57 lone 2 78 - 2 - HB2 GLN 42 - HG LEU 126 lone 1 98 - 1 - QD1 LEU 55 - HG2 PRO 30 lone 1 39 - 3 - QG1 VAL 49 - HG2 ARG 57 lone 1 46 - 3 - QG2 VAL 49 - HG2 PRO 30 lone 1 64 - 2 - QD1 LEU 55 - HG2 ARG 57 lone 1 44 - 3 - QG2 ILE 22 - HG2 ARG 57 lone 1 65 - 2 - HB2 GLN 42 - HG2 ARG 57 lone 1 74 - 1 - QG1 VAL 49 - HG2 PRO 30 lone 1 41 - 2 - QD1 ILE 124 - HG2 PRO 30 lone 1 51 - 1 - QD2 LEU 59 - HG2 ARG 57 lone 1 46 - 1 - Peak 5409 from cnoeabs.peaks (0.87, 1.59, 26.99 ppm; 3.29 A): 1 out of 24 assignments used, quality = 1.00: * QD2 LEU 126 + HG LEU 126 OK 100 100 - 100 - 2.1=100 QD2 LEU 59 - HG LEU 126 OK 29 97 - 30 - 5416/2.1=4, ~3416=2...(11) QG1 VAL 49 - HG LEU 126 OK 23 97 - 23 - 5416/2.1=4, 6904=3...(10) HG13 ILE 80 - HG2 PRO 30 OK 11 71 - 15 - 2.1/7417=2, 4094/2.3=2...(4) QD2 LEU 126 - HG2 PRO 30 poor 9 72 - 12 - 5420=1, ~2387=1, 2.1/5413=1 QD2 LEU 41 - HG LEU 126 lone 8 89 - 9 - 5416/2.1=2 QD2 LEU 59 - HG2 PRO 30 poor 7 66 - 10 - 7086/2.3=3, ~7083=2, ~7084=1 QD1 ILE 124 - HG LEU 126 lone 7 92 - 7 - 5416/2.1=1, 1425/4.9=1 QD2 LEU 126 - HG2 ARG 57 lone 6 78 - 8 - HG13 ILE 80 - HG LEU 126 lone 5 100 - 5 - QD2 LEU 55 - HG LEU 126 lone 5 73 - 7 - QD2 LEU 41 - HG2 ARG 57 lone 4 63 - 6 - 8263/1.8=1 QG1 VAL 49 - HG2 ARG 57 lone 3 73 - 4 - QD2 LEU 114 - HG2 ARG 57 lone 3 58 - 5 - 5086/3.0=1 QD2 LEU 114 - HG LEU 126 lone 3 83 - 3 - QD1 ILE 124 - HG2 ARG 57 lone 3 66 - 4 - QD2 LEU 41 - HG2 PRO 30 lone 3 57 - 4 - ~6008=1 HG13 ILE 80 - HG2 ARG 57 lone 2 77 - 3 - QD2 LEU 59 - HG2 ARG 57 lone 2 73 - 2 - QG1 VAL 49 - HG2 PRO 30 lone 2 66 - 2 - QD2 LEU 55 - HG2 PRO 30 lone 1 45 - 3 - QD2 LEU 55 - HG2 ARG 57 lone 1 50 - 3 - QD1 ILE 124 - HG2 PRO 30 lone 1 60 - 2 - QD2 LEU 114 - HG2 PRO 30 lone 1 52 - 2 - Peak 5410 from cnoeabs.peaks (7.72, 0.91, 25.16 ppm; 4.83 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 4.7=100 H LEU 58 - QD1 LEU 126 OK 21 100 - 21 - 5417/2.1=6, 5403/2.1=4...(6) H ASN 118 - QD1 LEU 126 OK 17 96 - 18 - 5417/2.1=3, 601=3...(9) H SER 90 - QD1 LEU 126 lone 8 100 - 8 - 5417/2.1=2, 5403/2.1=1 H LEU 91 - QD1 LEU 126 lone 5 78 - 7 - 7583/4.0=2, 5417/2.1=1 HE21 GLN 103 - QD1 LEU 126 lone 3 92 - 3 - H LEU 111 - QD1 LEU 126 lone 3 71 - 4 - Peak 5411 from cnoeabs.peaks (4.21, 0.91, 25.16 ppm; 4.90 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 4.0=100 HA CYS 52 - QD1 LEU 126 OK 23 95 - 25 - 5418/2.1=4, 5404/2.1=3...(10) HA ILE 22 - QD1 LEU 126 OK 22 99 - 22 - 5418/2.1=3, 1420/4.7=2...(8) HA VAL 26 - QD1 LEU 126 OK 16 96 - 16 - 5418/2.1=3, 5404/2.1=2...(5) HA VAL 66 - QD1 LEU 126 OK 13 99 - 13 - 5418/2.1=2, 3.2/7178=1...(6) HA PRO 68 - QD1 LEU 126 OK 11 78 - 14 - 2.3/7228=2, 2.3/7226=2...(5) HA SER 13 - QD1 LEU 126 lone 10 99 - 10 - 5418/2.1=1, 3.0/6289=1 HA ARG 92 - QD1 LEU 126 lone 5 76 - 7 - 1420/4.7=1, 5418/2.1=1 HA THR 17 - QD1 LEU 126 lone 5 68 - 7 - HA3 GLY 61 - QD1 LEU 126 lone 4 92 - 4 - Peak 5412 from cnoeabs.peaks (1.60, 0.91, 25.16 ppm; 2.98 A): 3 out of 17 assignments used, quality = 1.00: HG LEU 126 + QD1 LEU 126 OK 99 99 - 100 - 2.1=100 * HB2 LEU 126 + QD1 LEU 126 OK 93 100 - 93 - 3.1=86, 5419/2.1=8...(19) HB3 LEU 126 + QD1 LEU 126 OK 93 100 - 93 - 3.1=86, 5419/2.1=8...(19) HB2 LEU 59 - QD1 LEU 126 OK 20 78 - 26 - 3.2/5416=3, ~3409=2...(12) HG2 PRO 30 - QD1 LEU 126 OK 10 97 - 11 - 5408=1, ~2387=1, 5409/2.1=1 HG2 ARG 53 - QD1 LEU 126 lone 9 99 - 9 - ~6971=1, ~6968=1 HG2 ARG 57 - QD1 LEU 126 lone 5 78 - 6 - HG12 ILE 63 - QD1 LEU 126 lone 2 100 - 2 - HG3 ARG 81 - QD1 LEU 126 lone 2 78 - 3 - HG2 ARG 81 - QD1 LEU 126 lone 2 78 - 3 - HD3 LYS 119 - QD1 LEU 126 lone 2 100 - 2 - HD2 LYS 119 - QD1 LEU 126 lone 2 99 - 2 - HD2 LYS 32 - QD1 LEU 126 lone 2 99 - 2 - HD3 LYS 32 - QD1 LEU 126 lone 2 99 - 2 - HG LEU 101 - QD1 LEU 126 lone 1 89 - 1 - HD2 LYS 31 - QD1 LEU 126 lone 1 85 - 1 - HD3 LYS 31 - QD1 LEU 126 lone 1 85 - 1 - Peak 5413 from cnoeabs.peaks (1.60, 0.91, 25.16 ppm; 2.98 A): 3 out of 17 assignments used, quality = 1.00: HG LEU 126 + QD1 LEU 126 OK 99 99 - 100 - 2.1=100 HB2 LEU 126 + QD1 LEU 126 OK 93 100 - 93 - 3.1=86, 5419/2.1=8...(19) * HB3 LEU 126 + QD1 LEU 126 OK 93 100 - 93 - 3.1=86, 5419/2.1=8...(19) HB2 LEU 59 - QD1 LEU 126 OK 20 81 - 26 - 3.2/5416=3, ~3409=2...(12) HG2 PRO 30 - QD1 LEU 126 OK 11 97 - 11 - 5408=1, ~2387=1 HG2 ARG 53 - QD1 LEU 126 lone 9 99 - 9 - ~6971=1, ~6968=1 HG2 ARG 57 - QD1 LEU 126 lone 5 76 - 6 - HG12 ILE 63 - QD1 LEU 126 lone 2 100 - 2 - HG3 ARG 81 - QD1 LEU 126 lone 2 76 - 3 - HG2 ARG 81 - QD1 LEU 126 lone 2 76 - 3 - HD3 LYS 119 - QD1 LEU 126 lone 2 99 - 2 - HD2 LYS 119 - QD1 LEU 126 lone 2 99 - 2 - HD2 LYS 32 - QD1 LEU 126 lone 2 99 - 2 - HD3 LYS 32 - QD1 LEU 126 lone 2 99 - 2 - HG LEU 101 - QD1 LEU 126 lone 1 90 - 1 - HD2 LYS 31 - QD1 LEU 126 lone 1 87 - 1 - HD3 LYS 31 - QD1 LEU 126 lone 1 87 - 1 - Peak 5414 from cnoeabs.peaks (1.59, 0.91, 25.16 ppm; 2.98 A): 3 out of 17 assignments used, quality = 1.00: * HG LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 2.1=100 HB2 LEU 126 + QD1 LEU 126 OK 92 99 - 93 - 3.1=86, 5421/2.1=8...(19) HB3 LEU 126 + QD1 LEU 126 OK 92 99 - 93 - 3.1=86, 5421/2.1=8...(19) HB2 LEU 59 - QD1 LEU 126 OK 15 60 - 26 - 3.2/5416=3, ~3409=2...(12) HG2 PRO 30 - QD1 LEU 126 poor 9 87 - 11 - 5408=1, 5409/2.1=1, ~2387=1 HG2 ARG 53 - QD1 LEU 126 lone 8 92 - 9 - ~6971=1, ~6968=1 HG2 ARG 57 - QD1 LEU 126 lone 6 92 - 7 - HG2 ARG 81 - QD1 LEU 126 lone 2 92 - 3 - HG3 ARG 81 - QD1 LEU 126 lone 2 92 - 3 - HG12 ILE 63 - QD1 LEU 126 lone 2 99 - 2 - HD2 LYS 119 - QD1 LEU 126 lone 2 100 - 2 - HD3 LYS 119 - QD1 LEU 126 lone 2 100 - 2 - HD2 LYS 32 - QD1 LEU 126 lone 2 92 - 2 - HD3 LYS 32 - QD1 LEU 126 lone 2 92 - 2 - HG LEU 101 - QD1 LEU 126 lone 1 73 - 1 - HD2 LYS 31 - QD1 LEU 126 lone 1 68 - 1 - HD3 LYS 31 - QD1 LEU 126 lone 1 68 - 1 - Peak 5415 from cnoeabs.peaks (0.91, 0.91, 25.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 126 + QD1 LEU 126 OK 100 100 - 100 Peak 5416 from cnoeabs.peaks (0.87, 0.91, 25.16 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 2.1=100 QG1 VAL 49 - QD1 LEU 126 OK 15 97 - 16 - 3041=4, 5409/2.1=2...(5) QD2 LEU 59 - QD1 LEU 126 OK 15 97 - 15 - 5409/2.1=2, ~3416=1, 2.1/3416=1 QD2 LEU 41 - QD1 LEU 126 lone 6 89 - 7 - QD1 ILE 124 - QD1 LEU 126 lone 5 92 - 5 - QD2 LEU 55 - QD1 LEU 126 lone 3 73 - 4 - HG13 ILE 80 - QD1 LEU 126 lone 2 100 - 2 - QD2 LEU 114 - QD1 LEU 126 lone 1 83 - 2 - Peak 5417 from cnoeabs.peaks (7.72, 0.87, 22.91 ppm; 4.86 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 126 + QD2 LEU 126 OK 100 100 - 100 - 4.7=100 H LEU 58 - QD2 LEU 126 OK 28 100 - 27 - 7052=6, 5410/2.1=5...(8) H ASN 118 - QD2 LEU 126 OK 13 96 - 14 - 5410/2.1=4, 5403/2.1=2 H SER 90 - QD2 LEU 126 lone 9 100 - 8 - 5410/2.1=2, 5403/2.1=1 H LEU 91 - QD2 LEU 126 lone 5 78 - 7 - 7583/4.0=2, 5410/2.1=1 HE21 GLN 103 - QD2 LEU 126 lone 3 92 - 3 - H LEU 111 - QD2 LEU 126 lone 3 71 - 4 - Peak 5418 from cnoeabs.peaks (4.21, 0.87, 22.91 ppm; 3.15 A): 1 out of 10 assignments used, quality = 0.78: * HA LEU 126 + QD2 LEU 126 OK 78 100 - 78 - 4.0=50, 5404/2.1=9...(19) HA CYS 52 - QD2 LEU 126 lone 9 95 - 9 - 5411/2.1=1, 5404/2.1=1 HA ILE 22 - QD2 LEU 126 lone 8 99 - 8 - 5411/2.1=1, 5404/2.1=1 HA VAL 26 - QD2 LEU 126 lone 7 96 - 7 - 5411/2.1=1 HA VAL 66 - QD2 LEU 126 lone 4 99 - 4 - HA PRO 68 - QD2 LEU 126 lone 4 78 - 5 - HA SER 13 - QD2 LEU 126 lone 3 99 - 3 - HA ARG 92 - QD2 LEU 126 lone 3 76 - 4 - HA3 GLY 61 - QD2 LEU 126 lone 2 92 - 2 - HA THR 17 - QD2 LEU 126 lone 1 68 - 2 - Peak 5419 from cnoeabs.peaks (1.60, 0.87, 22.91 ppm; 3.01 A): 3 out of 17 assignments used, quality = 1.00: HG LEU 126 + QD2 LEU 126 OK 99 99 - 100 - 2.1=100 * HB2 LEU 126 + QD2 LEU 126 OK 94 100 - 94 - 3.1=88, 3.0/5418=15...(18) HB3 LEU 126 + QD2 LEU 126 OK 94 100 - 94 - 3.1=88, 3.0/5418=15...(18) HB2 LEU 59 - QD2 LEU 126 OK 24 78 - 31 - 1.8/3409=4, 3.0/3416=3...(12) HG2 ARG 53 - QD2 LEU 126 OK 11 99 - 11 - 3.0/6971=2, 3.0/6968=2 HG2 PRO 30 - QD2 LEU 126 OK 10 97 - 10 - 5409=1, ~2387=1 HG2 ARG 57 - QD2 LEU 126 lone 5 78 - 7 - 5409=1 HG12 ILE 63 - QD2 LEU 126 lone 3 100 - 3 - HG3 ARG 81 - QD2 LEU 126 lone 2 78 - 3 - HG2 ARG 81 - QD2 LEU 126 lone 2 78 - 3 - HD3 LYS 119 - QD2 LEU 126 lone 2 100 - 2 - HD2 LYS 119 - QD2 LEU 126 lone 2 99 - 2 - HD2 LYS 32 - QD2 LEU 126 lone 2 99 - 2 - HD3 LYS 32 - QD2 LEU 126 lone 2 99 - 2 - HG LEU 101 - QD2 LEU 126 lone 1 89 - 2 - HD2 LYS 31 - QD2 LEU 126 lone 1 85 - 2 - HD3 LYS 31 - QD2 LEU 126 lone 1 85 - 2 - Peak 5420 from cnoeabs.peaks (1.60, 0.87, 22.91 ppm; 3.01 A): 3 out of 17 assignments used, quality = 1.00: HG LEU 126 + QD2 LEU 126 OK 99 99 - 100 - 2.1=100 * HB3 LEU 126 + QD2 LEU 126 OK 94 100 - 94 - 3.1=88, 3.0/5418=15...(18) HB2 LEU 126 + QD2 LEU 126 OK 94 100 - 94 - 3.1=88, 3.0/5418=15...(18) HB2 LEU 59 - QD2 LEU 126 OK 25 81 - 31 - 1.8/3409=4, 3.0/3416=3...(12) HG2 ARG 53 - QD2 LEU 126 OK 11 99 - 11 - 3.0/6971=2, 3.0/6968=2 HG2 PRO 30 - QD2 LEU 126 OK 10 97 - 10 - 5409=1, ~2387=1 HG2 ARG 57 - QD2 LEU 126 lone 5 76 - 7 - 5409=1 HG12 ILE 63 - QD2 LEU 126 lone 3 100 - 3 - HG3 ARG 81 - QD2 LEU 126 lone 2 76 - 3 - HG2 ARG 81 - QD2 LEU 126 lone 2 76 - 3 - HD3 LYS 119 - QD2 LEU 126 lone 2 99 - 2 - HD2 LYS 119 - QD2 LEU 126 lone 2 99 - 2 - HD2 LYS 32 - QD2 LEU 126 lone 2 99 - 2 - HD3 LYS 32 - QD2 LEU 126 lone 2 99 - 2 - HG LEU 101 - QD2 LEU 126 lone 1 90 - 2 - HD2 LYS 31 - QD2 LEU 126 lone 1 87 - 2 - HD3 LYS 31 - QD2 LEU 126 lone 1 87 - 2 - Peak 5421 from cnoeabs.peaks (1.59, 0.87, 22.91 ppm; 3.01 A): 3 out of 17 assignments used, quality = 1.00: * HG LEU 126 + QD2 LEU 126 OK 100 100 - 100 - 2.1=100 HB2 LEU 126 + QD2 LEU 126 OK 93 99 - 94 - 3.1=88, 3.0/5418=15...(18) HB3 LEU 126 + QD2 LEU 126 OK 93 99 - 94 - 3.1=88, 3.0/5418=15...(18) HB2 LEU 59 - QD2 LEU 126 OK 18 60 - 31 - 1.8/3409=4, 3.0/3416=3...(12) HG2 ARG 53 - QD2 LEU 126 poor 10 92 - 11 - 3.0/6971=2, 3.0/6968=2 HG2 PRO 30 - QD2 LEU 126 poor 9 87 - 10 - 5409=1, ~2387=1 HG2 ARG 57 - QD2 LEU 126 lone 6 92 - 7 - 5409=1 HG2 ARG 81 - QD2 LEU 126 lone 3 92 - 3 - HG3 ARG 81 - QD2 LEU 126 lone 3 92 - 3 - HG12 ILE 63 - QD2 LEU 126 lone 3 99 - 3 - HD3 LYS 119 - QD2 LEU 126 lone 2 100 - 2 - HD2 LYS 119 - QD2 LEU 126 lone 2 100 - 2 - HD2 LYS 32 - QD2 LEU 126 lone 2 92 - 2 - HD3 LYS 32 - QD2 LEU 126 lone 2 92 - 2 - HG LEU 101 - QD2 LEU 126 lone 1 73 - 2 - HD2 LYS 31 - QD2 LEU 126 lone 1 68 - 1 - HD3 LYS 31 - QD2 LEU 126 lone 1 68 - 1 - Peak 5422 from cnoeabs.peaks (0.91, 0.87, 22.91 ppm; 2.40 A): 1 out of 14 assignments used, quality = 1.00: * QD1 LEU 126 + QD2 LEU 126 OK 100 100 - 100 - 2.1=100 QG2 VAL 49 - QD2 LEU 126 OK 15 96 - 15 - 3045=3, 2.1/3035=1...(4) QD2 LEU 59 - QD2 LEU 126 OK 11 68 - 16 - 2.1/3416=2, 2.1/3423=2...(4) QG1 VAL 49 - QD2 LEU 126 poor 8 68 - 12 - 2.1/3045=2, 3041/2.1=1...(4) QD1 LEU 41 - QD2 LEU 126 lone 5 73 - 7 - QD2 LEU 41 - QD2 LEU 126 lone 5 85 - 6 - QG2 ILE 22 - QD2 LEU 126 lone 4 90 - 5 - QD1 ILE 124 - QD2 LEU 126 lone 4 81 - 5 - QD1 LEU 117 - QD2 LEU 126 lone 4 100 - 4 - QD1 LEU 55 - QD2 LEU 126 lone 3 65 - 4 - QD2 LEU 27 - QD2 LEU 126 lone 2 92 - 2 - QG2 VAL 115 - QD2 LEU 126 lone 2 90 - 2 - QD1 LEU 27 - QD2 LEU 126 lone 2 87 - 2 - HB2 GLN 42 - QD2 LEU 126 lone 1 98 - 1 - Peak 5423 from cnoeabs.peaks (0.87, 0.87, 22.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 126 + QD2 LEU 126 OK 100 100 - 100 Peak 5427 from cnoeabs.peaks (8.21, 4.63, 55.91 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H MET 11 + HA HIS 10 OK 100 100 - 100 - 3.6=100 H ASP 100 - HA HIS 10 lone 3 95 - 3 - 5=1 H LEU 21 - HA HIS 10 lone 1 100 - 1 - Peak 5431 from cnoeabs.peaks (8.67, 4.37, 55.90 ppm; 3.55 A): 1 out of 8 assignments used, quality = 0.98: * H ASN 12 + HA MET 11 OK 98 100 - 98 - 3.6=98, 5.0/1843=11, 13/4.0=8 H LEU 117 - HA MET 11 OK 10 98 - 10 - 594=3, 8597/3.0=2, 3.6/5120=1 H ASN 12 - HA GLN 105 lone 5 55 - 9 - 10=3, 4.2/1851=2...(4) H VAL 120 - HA GLN 105 poor 5 40 - 12 - 1393/4.1=2, 1393/4.1=2...(6) H LEU 117 - HA GLN 105 lone 4 51 - 8 - 594=3, 4.3/5128=1 H LEU 59 - HA MET 11 lone 4 100 - 4 - 8597/3.0=1 H VAL 120 - HA MET 11 lone 3 85 - 4 - H LEU 59 - HA GLN 105 lone 1 54 - 1 - Peak 5437 from cnoeabs.peaks (8.50, 2.98, 38.58 ppm; 4.66 A): 1 out of 9 assignments used, quality = 1.00: * H SER 13 + HB2 ASN 12 OK 100 100 - 100 - 4.6=100 H TYR 102 - HB2 ASN 12 OK 26 78 - 33 - 4.6/6284=7, 4.6/1879=5...(9) H PHE 40 - HB2 ASN 12 OK 11 96 - 12 - 5438/1.8=4, 4.0/1877=2, ~2737=2 H LYS 31 - HB2 ASN 12 lone 9 100 - 9 - 5438/1.8=2, 2.9/8250=1...(4) H LEU 77 - HB2 ASN 12 lone 8 98 - 8 - 4.7/7327=3, 4.7/7349=2 H LEU 84 - HB2 ASN 12 lone 5 100 - 5 - 5438/1.8=2 H GLU 38 - HB2 ASN 12 lone 4 83 - 5 - 5438/1.8=2 H GLU 28 - HB2 ASN 12 lone 4 100 - 4 - 5438/1.8=1 H GLY 2 - HB2 ASN 12 lone 2 95 - 2 - Peak 5438 from cnoeabs.peaks (8.50, 2.88, 38.58 ppm; 4.75 A): 1 out of 9 assignments used, quality = 1.00: * H SER 13 + HB3 ASN 12 OK 100 100 - 100 - 4.6=100 H TYR 102 - HB3 ASN 12 OK 22 78 - 28 - 4.6/6285=7, 5437/1.8=6...(6) H PHE 40 - HB3 ASN 12 OK 18 96 - 19 - 937=3, 3.0/2737=3...(6) H GLU 38 - HB3 ASN 12 lone 8 83 - 9 - 3.6/5998=2, 5.0/8176=2 H LYS 31 - HB3 ASN 12 lone 7 100 - 7 - 5437/1.8=2, ~8250=1 H LEU 84 - HB3 ASN 12 lone 7 100 - 7 - 4.7/8419=2, 5437/1.8=1 H GLU 28 - HB3 ASN 12 lone 5 100 - 5 - H LEU 77 - HB3 ASN 12 lone 4 98 - 4 - 5437/1.8=2 H GLY 2 - HB3 ASN 12 lone 2 95 - 2 - Peak 5439 from cnoeabs.peaks (8.84, 4.21, 60.93 ppm; 3.99 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 14 + HA SER 13 OK 100 100 - 100 - 3.6=100 H VAL 50 - HA VAL 26 OK 34 99 - 34 - 216/3.0=8, ~8215=5...(11) H ALA 14 - HA VAL 26 OK 17 99 - 17 - 22=5, 4.6/798=3...(5) H VAL 50 - HA SER 13 OK 12 100 - 12 - 1428/2.9=2, 5441/3.0=2...(5) H ASN 108 - HA SER 13 OK 11 100 - 11 - 1898/4.9=4, 1428/2.9=2...(5) H ASN 108 - HA VAL 26 lone 5 99 - 5 - 4.6/8689=1 Peak 5440 from cnoeabs.peaks (8.84, 3.87, 63.11 ppm; 4.53 A): 1 out of 9 assignments used, quality = 1.00: * H ALA 14 + HB2 SER 13 OK 100 100 - 100 - 4.5=100 H ALA 14 - HB2 SER 35 OK 17 93 - 18 - 5441/1.8=5, 23=4...(5) H VAL 50 - HB2 SER 13 OK 11 100 - 10 - 5441/1.8=3, 5439/3.0=2...(4) H ASN 108 - HB2 SER 13 lone 9 100 - 9 - 5441/1.8=3, 5439/3.0=2...(4) H ALA 14 - HA THR 33 lone 7 95 - 7 - 23=2 H ASN 108 - HB2 SER 35 lone 2 91 - 3 - H VAL 50 - HB2 SER 35 lone 2 92 - 2 - H VAL 50 - HA THR 33 lone 2 94 - 2 - H ASN 108 - HA THR 33 lone 2 94 - 2 - Peak 5441 from cnoeabs.peaks (8.84, 3.76, 63.11 ppm; 4.65 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 14 + HB3 SER 13 OK 100 100 - 100 - 4.5=100 H ALA 14 - HB3 SER 35 OK 20 99 - 20 - 5440/1.8=4, 24=4...(6) H VAL 50 - HB3 SER 13 OK 11 100 - 11 - 5440/1.8=3, 5439/3.0=3...(4) H ASN 108 - HB3 SER 13 lone 10 100 - 10 - 5440/1.8=2, 5439/3.0=2...(4) H ASN 108 - HB3 SER 35 lone 3 98 - 3 - H VAL 50 - HB3 SER 35 lone 3 99 - 3 - Peak 5442 from cnoeabs.peaks (8.77, 4.02, 55.48 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 15 + HA ALA 14 OK 100 100 - 100 - 3.6=100 H ARG 85 - HA ALA 14 OK 18 76 - 23 - 5443/2.1=5, 4.3/6295=4...(7) H THR 23 - HA ALA 14 OK 13 71 - 18 - 4.1/6297=4, 1429/3.0=4...(5) H ASN 99 - HA ALA 14 OK 11 89 - 13 - 1429/3.0=3, 5443/2.1=3 Peak 5443 from cnoeabs.peaks (8.77, 1.47, 17.70 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 15 + QB ALA 14 OK 100 100 - 100 - 3.7=100 H ARG 85 - QB ALA 14 OK 13 76 - 17 - 5442/2.1=3, 1429/2.9=2...(5) H ASN 99 - QB ALA 14 poor 9 89 - 11 - 1429/2.9=2, 5442/2.1=2 H THR 23 - QB ALA 14 poor 9 71 - 13 - 1429/2.9=3, 5442/2.1=2...(4) Peak 5444 from cnoeabs.peaks (8.45, 3.85, 60.09 ppm; 4.58 A): 1 out of 5 assignments used, quality = 1.00: * H GLN 16 + HA GLU 15 OK 100 100 - 100 - 3.6=100 H GLU 82 - HA GLU 15 OK 36 100 - 36 - 1430/3.0=8, 5445/3.0=6...(10) H ILE 63 - HA GLU 15 OK 21 96 - 22 - 5445/3.0=5, 1430/3.0=4...(5) H TYR 102 - HA GLU 15 OK 15 60 - 25 - 4.9/6320=4, 4.6/8187=3...(9) H LEU 51 - HA GLU 15 lone 4 65 - 5 - 1430/3.0=1 Peak 5445 from cnoeabs.peaks (8.45, 2.09, 29.56 ppm; 4.07 A): 2 out of 5 assignments used, quality = 0.93: * H GLN 16 + HB2 GLU 15 OK 90 100 - 90 - 4.6=71, 31/1.8=24...(12) H GLU 82 + HB2 GLU 15 OK 27 100 - 27 - 5448/3.0=5, 5444/3.0=5...(7) H ILE 63 - HB2 GLU 15 OK 20 96 - 21 - 5448/3.0=4, 5447/3.0=3...(6) H TYR 102 - HB2 GLU 15 OK 13 60 - 21 - 501=2, 5444/3.0=2...(12) H LEU 51 - HB2 GLU 15 lone 3 65 - 4 - Peak 5446 from cnoeabs.peaks (8.45, 2.14, 29.56 ppm; 4.21 A): 2 out of 10 assignments used, quality = 0.95: * H GLN 16 + HB3 GLU 15 OK 93 100 - 93 - 4.6=79, 5445/1.8=24...(14) H GLU 82 + HB3 GLU 15 OK 30 100 - 30 - 5445/1.8=7, 5448/3.0=6...(6) H GLU 82 - HG12 ILE 80 OK 26 66 - 40 - 1676/5.1=12, 6125/4.0=11...(9) H ILE 63 - HB3 GLU 15 OK 20 96 - 21 - 5445/1.8=5, 5448/3.0=4...(5) H GLN 16 - HG12 ILE 80 OK 18 66 - 27 - 31=5, 6125/4.0=4...(9) H TYR 102 - HG12 ILE 80 OK 10 32 - 31 - 7736/2.1=9, ~7412=7...(7) H TYR 102 - HB3 GLU 15 poor 9 60 - 15 - 5445/1.8=3, 5444/3.0=2...(6) H ILE 63 - HG12 ILE 80 poor 7 59 - 11 - 6125/4.0=3, 1669/5.1=2 H LEU 51 - HG12 ILE 80 poor 4 36 - 10 - 6125/4.0=4, ~7428=2, 1669/5.1=2 H LEU 51 - HB3 GLU 15 lone 3 65 - 4 - Peak 5447 from cnoeabs.peaks (8.45, 2.37, 36.48 ppm; 4.88 A): 4 out of 5 assignments used, quality = 0.95: * H GLN 16 + HG2 GLU 15 OK 87 100 - 87 - 31/3.0=25, 5448/1.8=25...(18) H GLU 82 + HG2 GLU 15 OK 34 100 - 34 - 5448/1.8=9, 5445/3.0=7...(6) H ILE 63 + HG2 GLU 15 OK 24 96 - 25 - 5448/1.8=6, 5445/3.0=5...(6) H TYR 102 + HG2 GLU 15 OK 15 60 - 24 - 5448/1.8=3, 5445/3.0=3...(10) H LEU 51 - HG2 GLU 15 lone 3 65 - 5 - Peak 5448 from cnoeabs.peaks (8.45, 2.25, 36.48 ppm; 4.48 A): 4 out of 5 assignments used, quality = 0.92: * H GLN 16 + HG3 GLU 15 OK 84 100 - 84 - 31/3.0=22, 33=22...(14) H GLU 82 + HG3 GLU 15 OK 30 100 - 30 - 5447/1.8=7, 5445/3.0=6...(5) H ILE 63 + HG3 GLU 15 OK 22 96 - 22 - 5447/1.8=5, 5445/3.0=5...(6) H TYR 102 + HG3 GLU 15 OK 12 60 - 19 - 5447/1.8=3, 5445/3.0=3...(9) H LEU 51 - HG3 GLU 15 lone 3 65 - 5 - Peak 5449 from cnoeabs.peaks (7.99, 4.03, 58.89 ppm; 3.90 A): 1 out of 10 assignments used, quality = 1.00: * H THR 17 + HA GLN 16 OK 100 100 - 100 - 3.6=100 H THR 19 - HA GLN 16 OK 39 73 - 53 - 1550=10, 4.6/5960=10...(12) H THR 116 - HA GLN 16 OK 16 73 - 22 - 34/3.0=5, 35=3...(8) HE ARG 85 - HA LYS 109 OK 16 45 - 35 - 8712/2.9=6, 8714/3.7=3...(18) H LEU 114 - HA GLN 16 OK 10 78 - 13 - 1354/3.0=2, 1354/3.0=2...(6) HE ARG 85 - HA GLN 16 lone 5 96 - 5 - 1431/3.0=1 H THR 17 - HA LYS 109 lone 4 50 - 7 - 35=1 H THR 19 - HA LYS 109 poor 4 30 - 12 - 1550=3, 4.0/6378=2...(4) H THR 116 - HA LYS 109 lone 3 30 - 9 - 1776=1, 4.3/7974=1 H LEU 114 - HA LYS 109 lone 2 33 - 7 - 4.6/1761=2, 1763=1 Peak 5450 from cnoeabs.peaks (7.99, 2.08, 28.51 ppm; 4.03 A): 2 out of 10 assignments used, quality = 1.00: * H THR 17 + HB2 GLN 16 OK 98 100 - 98 - 4.1=94, 39/3.0=16...(16) H THR 17 + HB3 GLN 16 OK 98 100 - 98 - 4.1=94, 39/3.0=16...(16) H THR 19 - HB2 GLN 16 OK 22 73 - 30 - 1550/3.0=7, 1431/4.0=5...(9) H THR 19 - HB3 GLN 16 OK 22 73 - 30 - 1550/3.0=7, 1431/4.0=5...(9) H LEU 114 - HB3 GLN 16 OK 17 78 - 22 - 3.0/5058=3, 1354=3...(11) H LEU 114 - HB2 GLN 16 OK 17 78 - 22 - 3.0/5058=3, 1354=3...(11) H THR 116 - HB2 GLN 16 OK 14 73 - 19 - 34/4.0=4, 5449/3.0=2...(8) H THR 116 - HB3 GLN 16 OK 14 73 - 19 - 34/4.0=4, 5449/3.0=2...(8) HE ARG 85 - HB3 GLN 16 lone 6 96 - 6 - 1431/4.0=1, 5453/3.0=1 HE ARG 85 - HB2 GLN 16 lone 6 96 - 6 - 1431/4.0=1, 5453/3.0=1 Peak 5451 from cnoeabs.peaks (7.99, 2.08, 28.51 ppm; 4.03 A): 2 out of 10 assignments used, quality = 1.00: * H THR 17 + HB3 GLN 16 OK 98 100 - 98 - 4.1=94, 39/3.0=16...(16) H THR 17 + HB2 GLN 16 OK 98 100 - 98 - 4.1=94, 39/3.0=16...(16) H THR 19 - HB3 GLN 16 OK 22 73 - 30 - 1550/3.0=7, 1431/4.0=5...(8) H THR 19 - HB2 GLN 16 OK 22 73 - 30 - 1550/3.0=7, 1431/4.0=5...(9) H LEU 114 - HB3 GLN 16 OK 17 78 - 22 - 3.0/5058=3, 1354=3...(11) H LEU 114 - HB2 GLN 16 OK 17 78 - 22 - 3.0/5058=3, 1354=3...(11) H THR 116 - HB3 GLN 16 OK 14 73 - 19 - 34/4.0=4, 5449/3.0=2...(8) H THR 116 - HB2 GLN 16 OK 14 73 - 19 - 34/4.0=4, 5449/3.0=2...(8) HE ARG 85 - HB3 GLN 16 lone 6 96 - 6 - 1431/4.0=1, 5453/3.0=1 HE ARG 85 - HB2 GLN 16 lone 6 96 - 6 - 1431/4.0=1, 5453/3.0=1 Peak 5452 from cnoeabs.peaks (7.99, 2.30, 33.89 ppm; 4.78 A): 1 out of 15 assignments used, quality = 0.97: * H THR 17 + HG2 GLN 16 OK 97 100 - 97 - 5.0=89, 39/1.8=27...(14) H THR 19 - HG2 GLN 16 OK 19 73 - 27 - 1550/4.0=8, 1431/4.9=5...(7) H THR 116 - HG2 GLN 16 OK 14 73 - 19 - 34/4.9=4, 5453/1.8=4...(6) H LEU 114 - HG2 GLN 16 OK 11 78 - 14 - 5453/1.8=3, 1354/3.0=2...(6) H THR 17 - HG2 GLN 105 OK 11 40 - 28 - 3.6/1938=5, 38=4...(8) H THR 17 - HG3 GLN 105 OK 10 39 - 27 - 3.6/1938=5, 38=4...(8) HE ARG 85 - HG2 GLN 16 lone 6 96 - 7 - 5453/1.8=2, 1431/4.9=1 H THR 116 - HG2 GLN 105 lone 2 24 - 8 - 4.1/7991=2 H THR 116 - HG3 GLN 105 lone 2 23 - 8 - 4.1/7991=2 H LEU 114 - HG2 GLN 105 lone 1 26 - 3 - H LEU 114 - HG3 GLN 105 lone 1 25 - 3 - H THR 19 - HG2 GLN 105 lone 1 24 - 3 - H THR 19 - HG3 GLN 105 lone 1 23 - 3 - HE ARG 85 - HG2 GLN 105 lone 1 35 - 1 - HE ARG 85 - HG3 GLN 105 lone 0 34 - 1 - Peak 5453 from cnoeabs.peaks (7.99, 2.40, 33.89 ppm; 4.87 A): 1 out of 5 assignments used, quality = 0.99: * H THR 17 + HG3 GLN 16 OK 99 100 - 99 - 5.0=95, 3.6/1939=24...(15) H THR 19 - HG3 GLN 16 OK 20 73 - 27 - 1550/4.0=8, 1431/4.9=5...(7) H THR 116 - HG3 GLN 16 OK 15 73 - 20 - 34/4.9=4, 39=4...(6) H LEU 114 - HG3 GLN 16 OK 12 78 - 15 - 5452/1.8=3, 1354/3.0=2...(7) HE ARG 85 - HG3 GLN 16 lone 7 96 - 7 - 5452/1.8=2, 1431/4.9=1 Peak 5454 from cnoeabs.peaks (8.59, 4.23, 67.21 ppm; 4.99 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 18 + HA THR 17 OK 100 100 - 100 - 3.5=100 H ILE 34 - HA THR 17 OK 20 100 - 20 - 5455/3.0=5, 1432/3.0=5...(5) H GLY 86 - HA THR 17 OK 18 65 - 27 - 3.0/5967=8, 5456/3.2=4...(7) H SER 29 - HA THR 17 poor 9 71 - 13 - 4.8/5967=3, 5456/3.2=2...(4) Peak 5455 from cnoeabs.peaks (8.59, 4.33, 67.65 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.96: * H VAL 18 + HB THR 17 OK 96 100 - 96 - 4.6=82, 8464/2.8=31...(14) H ILE 34 - HB THR 17 OK 18 100 - 18 - 5456/2.1=4, 5454/3.0=3...(7) H GLY 86 - HB THR 17 OK 12 65 - 18 - 5456/2.1=4, ~8459=4...(5) H SER 29 - HB THR 17 lone 6 71 - 9 - 5456/2.1=2, 5454/3.0=2 Peak 5456 from cnoeabs.peaks (8.59, 1.33, 22.28 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.97: * H VAL 18 + QG2 THR 17 OK 97 100 - 97 - 4.4=89, 44/2.1=29...(10) H ILE 34 - QG2 THR 17 OK 15 100 - 15 - 5455/2.1=5, 5454/3.2=3...(4) H GLY 86 - QG2 THR 17 OK 15 65 - 22 - 3.0/8459=5, 5455/2.1=3...(7) H SER 29 - QG2 THR 17 lone 7 71 - 9 - 4.8/8459=2, 5455/2.1=2 Peak 5457 from cnoeabs.peaks (8.02, 3.48, 68.10 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * H THR 19 + HA VAL 18 OK 100 100 - 100 - 3.6=100 H THR 116 - HA VAL 18 OK 35 100 - 35 - 1433/3.0=7, 5458/3.0=7...(11) H THR 17 - HA VAL 18 OK 32 73 - 44 - 1432/3.0=16, 4.0/8461=14...(8) H SER 112 - HA VAL 18 OK 21 92 - 23 - 568/3.2=7, 5458/3.0=4...(5) Peak 5458 from cnoeabs.peaks (8.02, 2.36, 31.57 ppm; 3.62 A): 4 out of 8 assignments used, quality = 0.90: * H THR 19 + HB VAL 18 OK 79 100 - 79 - 4.5=52, 50/2.1=16...(11) H THR 116 + HB VAL 18 OK 28 100 - 28 - 5459/2.1=6, 5460/2.1=4...(8) H THR 17 + HB VAL 18 OK 20 73 - 28 - 4.7/1991=12, 6328/2.1=6...(6) H SER 112 + HB VAL 18 OK 16 92 - 17 - 568/2.1=6, 5460/2.1=3...(5) H THR 19 - HG2 MET 11 lone 4 58 - 8 - 48=2, 3.6/1988=1 H THR 116 - HG2 MET 11 lone 3 58 - 5 - 1366/4.0=1, 1519/5.0=1 H THR 17 - HG2 MET 11 lone 1 36 - 3 - H SER 112 - HG2 MET 11 lone 1 48 - 1 - Peak 5459 from cnoeabs.peaks (8.02, 1.21, 24.60 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.96: * H THR 19 + QG2 VAL 18 OK 93 100 - 93 - 4.3=78, 5458/2.1=20...(12) H THR 116 + QG2 VAL 18 OK 40 100 - 40 - 4.3/7978=7, 5458/2.1=7...(12) H THR 17 - QG2 VAL 18 OK 35 73 - 48 - 4.7/825=13, 4.0/8393=9...(12) H SER 112 - QG2 VAL 18 OK 31 92 - 34 - 568=9, 5458/2.1=4...(10) Peak 5460 from cnoeabs.peaks (8.02, 0.98, 21.91 ppm; 3.94 A): 3 out of 8 assignments used, quality = 0.96: * H THR 19 + QG1 VAL 18 OK 90 100 - 90 - 4.3=76, 48/2.1=20...(11) H THR 19 + QD2 LEU 58 OK 36 93 - 39 - 50=9, 50/2.1=6...(14) H THR 116 + QG1 VAL 18 OK 34 100 - 34 - 5458/2.1=7, 5459/2.1=7...(11) H THR 17 - QG1 VAL 18 OK 22 73 - 30 - 1432/4.0=10, 6328/2.1=7...(6) H SER 112 - QG1 VAL 18 OK 22 92 - 24 - 568/2.1=7, 5458/2.1=4...(6) H THR 116 - QD2 LEU 58 OK 17 93 - 19 - 4.6/5649=3, 3.0/6372=3...(5) H SER 112 - QD2 LEU 58 OK 12 81 - 15 - 565/4.8=2, 4.6/3375=1...(4) H THR 17 - QD2 LEU 58 lone 6 63 - 10 - 4.7/826=3 Peak 5461 from cnoeabs.peaks (8.28, 3.84, 66.74 ppm; 4.39 A): 1 out of 10 assignments used, quality = 1.00: * H TRP 20 + HA THR 19 OK 100 100 - 100 - 3.6=100 H ILE 22 - HA THR 19 OK 30 73 - 42 - 1565=8, 4.6/1558=6...(13) H TRP 20 - HA THR 116 OK 28 94 - 30 - 52=6, 51/3.0=6...(7) H ILE 22 - HA THR 116 OK 19 64 - 30 - 1565=6, 3.9/5982=5...(10) H GLU 69 - HA THR 19 OK 16 92 - 17 - 1434/3.0=4, 5462/3.0=4...(5) H VAL 49 - HA THR 19 OK 11 68 - 16 - 3.6/6893=5, 3.6/6887=3...(5) H CYS 87 - HA THR 19 lone 6 65 - 9 - 1434/3.0=2 H GLU 69 - HA THR 116 lone 5 82 - 6 - 7244/4.8=3 H CYS 87 - HA THR 116 lone 3 56 - 5 - H VAL 49 - HA THR 116 lone 2 59 - 4 - Peak 5462 from cnoeabs.peaks (8.28, 4.25, 68.61 ppm; 3.75 A): 3 out of 5 assignments used, quality = 0.85: * H TRP 20 + HB THR 19 OK 80 100 - 80 - 4.4=60, 5463/2.1=23...(9) H ILE 22 + HB THR 19 OK 12 73 - 17 - 5463/2.1=4, 1565/3.0=4...(4) H GLU 69 + HB THR 19 OK 12 92 - 13 - 5463/2.1=3, 1434/4.0=3...(4) H VAL 49 - HB THR 19 poor 8 68 - 12 - 3.6/3023=3, 5463/2.1=2...(5) H CYS 87 - HB THR 19 lone 3 65 - 4 - 1434/4.0=1 Peak 5463 from cnoeabs.peaks (8.28, 1.26, 21.73 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.93: * H TRP 20 + QG2 THR 19 OK 89 100 - 89 - 4.2=75, 5462/2.1=25...(6) H ILE 22 + QG2 THR 19 OK 18 73 - 24 - 4.0/6375=4, 1565/3.2=4...(8) H GLU 69 + QG2 THR 19 OK 13 92 - 15 - 3.0/6379=4, 5462/2.1=4...(5) H VAL 49 - QG2 THR 19 poor 9 68 - 14 - 3.6/2016=3, 3.6/6884=3...(5) H CYS 87 - QG2 THR 19 lone 4 65 - 5 - 1434/4.0=1 Peak 5464 from cnoeabs.peaks (8.21, 4.60, 59.75 ppm; 5.60 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 21 + HA TRP 20 OK 100 100 - 100 - 3.6=100 H MET 11 - HA TRP 20 OK 20 100 - 20 - 5465/3.0=5, 5466/3.0=5...(6) H ASP 100 - HA TRP 20 OK 13 87 - 14 - 5465/3.0=3, 5466/3.0=3...(4) Peak 5465 from cnoeabs.peaks (8.21, 3.70, 28.23 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 21 + HB2 TRP 20 OK 96 100 - 96 - 4.5=89, 5466/1.8=32...(8) H MET 11 - HB2 TRP 20 OK 14 100 - 14 - 5466/1.8=5, 5464/3.0=3...(4) H ASP 100 - HB2 TRP 20 lone 8 87 - 9 - 5466/1.8=3, 5464/3.0=2...(4) Peak 5466 from cnoeabs.peaks (8.21, 3.22, 28.23 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.95: * H LEU 21 + HB3 TRP 20 OK 95 100 - 95 - 4.5=87, 5465/1.8=31...(8) H MET 11 - HB3 TRP 20 OK 13 100 - 13 - 5465/1.8=4, 1435/4.0=3...(4) H ASP 100 - HB3 TRP 20 lone 8 87 - 9 - 5465/1.8=3, 5464/3.0=2...(4) Peak 5472 from cnoeabs.peaks (8.30, 3.38, 57.72 ppm; 4.44 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 22 + HA LEU 21 OK 100 100 - 100 - 3.6=100 H CYS 87 - HA LEU 21 OK 43 100 - 43 - 1436/3.0=7, 5474/3.0=6...(11) H TRP 20 - HA LEU 21 OK 34 73 - 46 - 1435/3.0=25, 5477/3.7=6...(9) H THR 62 - HA LEU 21 poor 10 68 - 14 - 4.0/7112=2, 2140/4.9=2...(6) H GLY 125 - HA LEU 21 lone 6 78 - 7 - 2140/4.9=1 Peak 5473 from cnoeabs.peaks (8.30, 1.93, 41.51 ppm; 4.67 A): 2 out of 10 assignments used, quality = 1.00: * H ILE 22 + HB2 LEU 21 OK 100 100 - 100 - 4.6=100 H CYS 87 + HB2 LEU 21 OK 47 100 - 47 - 5474/1.8=8, 5472/3.0=8...(9) H CYS 87 - HB2 LEU 84 OK 40 63 - 64 - 1702/3.0=17, 7529/3.1=17...(9) H TRP 20 - HB2 LEU 21 OK 35 73 - 48 - 1435/3.8=22, 5474/1.8=7...(7) H ILE 22 - HB2 LEU 84 OK 31 64 - 49 - 1437/4.3=11, 6150/3.0=11...(15) H THR 62 - HB2 LEU 21 poor 8 68 - 12 - 5472/3.0=2, 5474/1.8=2...(5) H THR 62 - HB2 LEU 84 poor 7 36 - 21 - ~6137=4, 6150/3.0=3...(7) H GLY 125 - HB2 LEU 21 lone 6 78 - 7 - 5474/1.8=1, 5476/3.1=1 H TRP 20 - HB2 LEU 84 poor 5 40 - 12 - 4.7/2105=2, 1694/4.3=2 H GLY 125 - HB2 LEU 84 lone 2 43 - 5 - 6150/3.0=2, 1694/4.3=1 Peak 5474 from cnoeabs.peaks (8.30, 1.05, 41.51 ppm; 4.80 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 22 + HB3 LEU 21 OK 100 100 - 100 - 4.6=100 H CYS 87 - HB3 LEU 21 OK 41 100 - 41 - 5472/3.0=8, 5477/3.1=8...(9) H TRP 20 - HB3 LEU 21 OK 34 73 - 46 - 1435/3.8=23, 5477/3.1=7...(7) H THR 62 - HB3 LEU 21 poor 8 68 - 12 - 5472/3.0=2, 5477/3.1=2...(5) H GLY 125 - HB3 LEU 21 lone 6 78 - 7 - 5476/3.1=1, 5472/3.0=1 Peak 5476 from cnoeabs.peaks (8.30, 0.65, 26.22 ppm; 4.44 A): 2 out of 5 assignments used, quality = 0.96: * H ILE 22 + QD1 LEU 21 OK 93 100 - 93 - 5.0=71, 71/2.1=22...(20) H CYS 87 + QD1 LEU 21 OK 40 100 - 40 - 5477/2.1=8, 5472/3.7=6...(11) H TRP 20 - QD1 LEU 21 OK 35 73 - 48 - 1435/4.7=17, 5477/2.1=8...(13) H THR 62 - QD1 LEU 21 poor 8 68 - 11 - 5477/2.1=2, 5472/3.7=1...(4) H GLY 125 - QD1 LEU 21 lone 6 78 - 7 - 5477/2.1=1 Peak 5477 from cnoeabs.peaks (8.30, 0.23, 23.90 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.96: * H ILE 22 + QD2 LEU 21 OK 94 100 - 94 - 5.0=71, 3.6/2104=26...(17) H CYS 87 + QD2 LEU 21 OK 43 100 - 43 - 5476/2.1=8, 5472/3.7=6...(11) H TRP 20 - QD2 LEU 21 OK 38 73 - 52 - 4.7/847=18, 6.0/6394=10...(11) H THR 62 - QD2 LEU 21 poor 9 68 - 13 - 4.0/6412=2, 5476/2.1=2...(5) H GLY 125 - QD2 LEU 21 lone 5 78 - 7 - 5476/2.1=1 Peak 5478 from cnoeabs.peaks (8.74, 4.21, 64.47 ppm; 4.79 A): 2 out of 3 assignments used, quality = 1.00: * H THR 23 + HA ILE 22 OK 100 100 - 100 - 3.6=100 H ARG 85 + HA ILE 22 OK 51 100 - 51 - 1437/3.0=14, 5479/3.0=12...(10) H GLU 15 - HA ILE 22 OK 14 71 - 19 - 5480/3.2=3, 1437/3.0=3...(8) Peak 5479 from cnoeabs.peaks (8.74, 1.91, 38.29 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.96: * H THR 23 + HB ILE 22 OK 93 100 - 93 - 4.4=77, 5480/2.1=22...(13) H ARG 85 + HB ILE 22 OK 46 100 - 46 - 5480/2.1=11, 1437/3.9=9...(10) H GLU 15 - HB ILE 22 OK 10 71 - 14 - 5480/2.1=3, 5478/3.0=2...(6) Peak 5480 from cnoeabs.peaks (8.74, 0.92, 16.87 ppm; 4.02 A): 2 out of 3 assignments used, quality = 0.99: * H THR 23 + QG2 ILE 22 OK 98 100 - 98 - 4.1=93, 5479/2.1=22...(14) H ARG 85 + QG2 ILE 22 OK 47 100 - 47 - 5479/2.1=11, 1437/4.0=9...(12) H GLU 15 - QG2 ILE 22 OK 13 71 - 19 - 3.6/6297=3, 5479/2.1=2...(8) Peak 5483 from cnoeabs.peaks (8.74, 0.80, 14.61 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.92: * H THR 23 + QD1 ILE 22 OK 86 100 - 86 - 78=27, 5480/3.0=23...(11) H ARG 85 + QD1 ILE 22 OK 47 100 - 48 - 5480/3.0=11, 5479/3.2=11...(9) H GLU 15 - QD1 ILE 22 poor 10 71 - 14 - 5480/3.0=3, 5479/3.2=2...(5) Peak 5484 from cnoeabs.peaks (8.09, 3.94, 66.69 ppm; 4.23 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 24 + HA THR 23 OK 100 100 - 100 - 3.6=100 H SER 78 - HA THR 23 OK 22 92 - 24 - 1658=6, 1438/3.0=4...(8) H THR 33 - HA THR 23 OK 10 95 - 11 - 1438/3.0=3, 5486/3.2=2...(4) H GLY 39 - HA THR 23 OK 10 99 - 10 - 1438/3.0=3, 5486/3.2=2 H GLN 105 - HA THR 23 lone 8 100 - 8 - 1438/3.0=2, 5485/3.0=2 HD22 ASN 79 - HA THR 23 lone 7 85 - 8 - 1438/3.0=2, 5486/3.2=2 Peak 5485 from cnoeabs.peaks (8.09, 4.51, 68.54 ppm; 3.86 A): 1 out of 6 assignments used, quality = 0.84: * H LEU 24 + HB THR 23 OK 84 100 - 84 - 4.4=68, 5486/2.1=24...(9) H SER 78 - HB THR 23 poor 10 92 - 11 - 5486/2.1=4, 5484/3.0=4 H GLY 39 - HB THR 23 lone 6 99 - 7 - 5486/2.1=2, 1438/4.0=2 H GLN 105 - HB THR 23 lone 6 100 - 6 - 5486/2.1=2, 1438/4.0=2 H THR 33 - HB THR 23 lone 6 95 - 7 - 1438/4.0=2, 5486/2.1=2 HD22 ASN 79 - HB THR 23 lone 4 85 - 5 - 5486/2.1=2, 1438/4.0=2 Peak 5486 from cnoeabs.peaks (8.09, 1.32, 21.20 ppm; 3.75 A): 2 out of 6 assignments used, quality = 0.92: * H LEU 24 + QG2 THR 23 OK 90 100 - 90 - 4.3=65, 81/2.1=27...(14) H SER 78 + QG2 THR 23 OK 14 92 - 16 - 5484/3.2=3, 5485/2.1=3...(6) H GLY 39 - QG2 THR 23 lone 9 99 - 9 - 5485/2.1=2, 1438/4.0=2 H THR 33 - QG2 THR 23 lone 8 95 - 9 - 1438/4.0=2, 5485/2.1=2 H GLN 105 - QG2 THR 23 lone 7 100 - 7 - 5485/2.1=2, 1438/4.0=2 HD22 ASN 79 - QG2 THR 23 lone 6 85 - 7 - 1438/4.0=1, 5.6/6448=1...(4) Peak 5487 from cnoeabs.peaks (7.82, 4.10, 55.54 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 25 + HA LEU 24 OK 100 100 - 100 - 3.6=100 H ASN 79 - HA LEU 24 OK 16 81 - 20 - 1439/3.0=6, 4.6/2194=4...(5) HD21 ASN 99 - HA LEU 24 OK 13 97 - 14 - 1439/3.0=4, 5488/3.0=3...(4) HD21 ASN 106 - HA LEU 24 lone 8 99 - 8 - 1439/3.0=3, 5491/4.0=1 H PHE 83 - HA LEU 24 lone 2 60 - 4 - 1439/3.0=1 Peak 5488 from cnoeabs.peaks (7.82, 1.51, 43.84 ppm; 5.05 A): 1 out of 10 assignments used, quality = 1.00: * H GLY 25 + HB2 LEU 24 OK 100 100 - 100 - 4.6=100 HD21 ASN 99 - HB2 LEU 24 OK 20 97 - 21 - 5491/3.1=4, 1439/3.9=4...(6) H ASN 79 - HB2 LEU 24 OK 18 81 - 22 - 1439/3.9=6, 5487/3.0=5...(5) H GLY 25 - HB3 LEU 58 OK 16 55 - 30 - 4.6/2210=7, 3.6/2196=6...(7) HD21 ASN 106 - HB2 LEU 24 OK 10 99 - 10 - 1439/3.9=3, 5491/3.1=2 HD21 ASN 106 - HB3 LEU 58 poor 6 53 - 11 - 7794/1.8=4, ~7798=3, 7794/4904=1 H PHE 83 - HB2 LEU 24 lone 3 60 - 5 - 1439/3.9=1 H ASN 79 - HB3 LEU 58 lone 2 38 - 6 - HD21 ASN 99 - HB3 LEU 58 lone 2 51 - 4 - H PHE 83 - HB3 LEU 58 lone 1 26 - 3 - Peak 5491 from cnoeabs.peaks (7.82, 0.66, 22.40 ppm; 5.14 A): 3 out of 5 assignments used, quality = 0.92: * H GLY 25 + QD2 LEU 24 OK 87 100 - 87 - 88=26, 3.6/2199=25...(16) H ASN 79 + QD2 LEU 24 OK 19 81 - 24 - 4.6/2222=6, 1439/4.8=5...(6) HD21 ASN 99 + QD2 LEU 24 OK 19 97 - 19 - 5488/3.1=4, 1.7/6477=4...(4) HD21 ASN 106 - QD2 LEU 24 lone 10 99 - 10 - 1439/4.8=2, 5488/3.1=2 H PHE 83 - QD2 LEU 24 lone 4 60 - 6 - 1439/4.8=1 Peak 5493 from cnoeabs.peaks (7.25, 3.94, 44.97 ppm; 4.27 A): 1 out of 21 assignments used, quality = 1.00: * H VAL 26 + HA2 GLY 25 OK 100 100 - 100 - 3.6=100 HE ARG 57 - HA2 GLY 25 OK 28 93 - 30 - 5494/1.8=8, 1440/3.0=7...(6) QE PHE 96 - HA2 GLY 25 OK 21 100 - 21 - 1440/3.0=5, 5494/1.8=5...(7) QD PHE 96 - HA2 GLY 25 OK 15 76 - 20 - 1440/3.0=4, 5494/1.8=3...(7) HE ARG 71 - HA2 GLY 25 lone 3 100 - 3 - H VAL 26 - HA2 GLY 125 lone 3 50 - 5 - 91=1 H VAL 26 - HA3 GLY 125 lone 3 50 - 5 - 91=1 QD TYR 102 - HA2 GLY 25 lone 2 68 - 4 - QE PHE 40 - HA2 GLY 25 lone 2 60 - 3 - HE ARG 57 - HA2 GLY 125 lone 1 43 - 2 - HE ARG 57 - HA3 GLY 125 lone 1 43 - 2 - QE PHE 96 - HA2 GLY 125 lone 1 50 - 1 - QE PHE 96 - HA3 GLY 125 lone 1 50 - 1 - QD TYR 102 - HA3 GLY 125 lone 0 28 - 1 - QD TYR 102 - HA2 GLY 125 lone 0 28 - 1 - HE ARG 71 - HA3 GLY 125 lone 0 49 - 1 - HE ARG 71 - HA2 GLY 125 lone 0 49 - 1 - QD PHE 96 - HA3 GLY 125 lone 0 32 - 1 - QD PHE 96 - HA2 GLY 125 lone 0 32 - 1 - QE PHE 40 - HA2 GLY 125 lone 0 24 - 1 - QE PHE 40 - HA3 GLY 125 lone 0 24 - 1 - Peak 5494 from cnoeabs.peaks (7.25, 4.11, 44.97 ppm; 4.24 A): 1 out of 7 assignments used, quality = 1.00: * H VAL 26 + HA3 GLY 25 OK 100 100 - 100 - 3.6=100 HE ARG 57 - HA3 GLY 25 OK 36 93 - 39 - 1440/3.0=7, 8546=6...(10) QE PHE 96 - HA3 GLY 25 OK 23 100 - 23 - 1440/3.0=5, 5493/1.8=4...(7) QD PHE 96 - HA3 GLY 25 OK 15 76 - 20 - 1440/3.0=4, 5493/1.8=3...(6) HE ARG 71 - HA3 GLY 25 lone 3 100 - 3 - QD TYR 102 - HA3 GLY 25 lone 2 68 - 3 - QE PHE 40 - HA3 GLY 25 lone 2 60 - 3 - Peak 5495 from cnoeabs.peaks (6.76, 4.22, 60.97 ppm; 3.96 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 27 + HA VAL 26 OK 100 100 - 100 - 3.6=100 HD22 ASN 99 - HA VAL 26 OK 33 100 - 33 - 1441/3.0=7, ~90=5...(9) HZ PHE 107 - HA VAL 26 OK 28 100 - 28 - 5497/3.2=7, 5498/3.2=5...(6) H LEU 27 - HA SER 13 OK 27 99 - 27 - 94=4, 4.1/2258=3...(13) HE21 GLN 42 - HA VAL 26 OK 12 99 - 12 - 1441/3.0=3, 5497/3.2=2...(4) HZ PHE 107 - HA SER 13 lone 6 99 - 6 - HE21 GLN 42 - HA SER 13 lone 4 98 - 4 - 6798/3.0=1 HD22 ASN 99 - HA SER 13 lone 2 99 - 2 - Peak 5496 from cnoeabs.peaks (6.76, 2.19, 31.17 ppm; 4.94 A): 1 out of 12 assignments used, quality = 1.00: * H LEU 27 + HB VAL 26 OK 100 100 - 100 - 4.4=100 HD22 ASN 99 - HB VAL 26 OK 43 100 - 43 - ~7682=8, 5497/2.1=8...(7) HZ PHE 107 - HB VAL 26 OK 40 100 - 40 - 5497/2.1=11, 5498/2.1=10...(7) H LEU 27 - HB3 PRO 37 OK 27 83 - 33 - 95/2.3=6, 4.1/2259=6...(8) H LEU 27 - HB VAL 49 OK 26 82 - 31 - 95=7, 4.1/2254=5...(8) HE21 GLN 42 - HB VAL 26 OK 15 99 - 15 - 5498/2.1=4, 5497/2.1=4...(4) HZ PHE 107 - HB VAL 49 poor 10 82 - 12 - ~4795=3, 7815/2.1=3, 7815/2.1=1 HZ PHE 107 - HB3 PRO 37 poor 8 82 - 10 - ~4789=3, 4777/8403=1, 2.2/7817=1 HD22 ASN 99 - HB3 PRO 37 lone 4 81 - 5 - HD22 ASN 99 - HB VAL 49 lone 4 81 - 5 - HE21 GLN 42 - HB3 PRO 37 lone 4 80 - 5 - HE21 GLN 42 - HB VAL 49 lone 3 79 - 4 - Peak 5497 from cnoeabs.peaks (6.76, 0.63, 20.28 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 27 + QG2 VAL 26 OK 93 100 - 93 - 4.1=78, 97/2.1=19...(16) HZ PHE 107 + QG2 VAL 26 OK 43 100 - 43 - 4780=11, 5498/2.1=6...(10) HD22 ASN 99 - QG2 VAL 26 OK 31 100 - 31 - 1.7/8228=6, 1441/4.0=5...(8) HE21 GLN 42 - QG2 VAL 26 OK 14 99 - 14 - 5498/2.1=2, 1441/4.0=2...(5) Peak 5498 from cnoeabs.peaks (6.76, 0.61, 21.38 ppm; 4.54 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 27 + QG1 VAL 26 OK 100 100 - 100 - 4.1=100 HZ PHE 107 + QG1 VAL 26 OK 47 100 - 47 - 5497/2.1=10, 4780=6...(13) HD22 ASN 99 - QG1 VAL 26 OK 37 100 - 37 - 1.7/7682=8, 5497/2.1=8...(7) HE21 GLN 42 - QG1 VAL 26 OK 18 99 - 18 - 5497/2.1=3, 1441/4.0=3...(6) Peak 5499 from cnoeabs.peaks (8.50, 4.54, 52.61 ppm; 3.20 A): 6 out of 9 assignments used, quality = 0.92: * H GLU 28 + HA LEU 27 OK 83 100 - 83 - 3.6=72, 98/3.0=9...(8) H TYR 102 + HA LEU 27 OK 17 83 - 21 - 4.5/6539=3, 1733=3...(11) H LEU 84 + HA LEU 27 OK 14 100 - 14 - 4.7/1692=2, 1685=2...(8) H SER 13 + HA LEU 27 OK 13 100 - 13 - 1442/3.0=2, 2.9/6523=2...(7) H PHE 40 + HA LEU 27 OK 12 97 - 13 - 5502/4.3=2, 5504/4.0=2...(7) H LEU 77 + HA LEU 27 OK 11 97 - 11 - 4.7/7352=2, 5500/3.0=1...(7) H LYS 31 - HA LEU 27 lone 6 100 - 6 - 895/3.0=1 H GLU 38 - HA LEU 27 lone 6 78 - 8 - ~6722=2, 1442/3.0=1 H GLY 2 - HA LEU 27 lone 2 97 - 2 - Peak 5500 from cnoeabs.peaks (8.50, 1.40, 47.11 ppm; 4.82 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 28 + HB2 LEU 27 OK 100 100 - 100 - 4.3=100 H TYR 102 - HB2 LEU 27 OK 30 83 - 37 - 4.9/8445=5, 505/1.8=5...(11) H LEU 77 - HB2 LEU 27 OK 29 97 - 30 - 4.7/8242=6, 3.0/7343=5...(9) H SER 13 - HB2 LEU 27 OK 29 100 - 29 - 2.9/6521=4, 5501/1.8=4...(10) H PHE 40 - HB2 LEU 27 OK 28 97 - 28 - 5502/3.0=6, 5504/3.1=5...(7) H LEU 84 - HB2 LEU 27 OK 26 100 - 26 - 1685/3.0=4, 5504/3.1=4...(7) H LYS 31 - HB2 LEU 27 OK 20 100 - 19 - 5501/1.8=3, 5502/3.0=2...(9) H GLU 38 - HB2 LEU 27 OK 14 78 - 18 - ~6007=3, 5502/3.0=2...(8) H GLY 2 - HB2 LEU 27 lone 5 97 - 5 - Peak 5501 from cnoeabs.peaks (8.50, 1.01, 47.11 ppm; 4.71 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 28 + HB3 LEU 27 OK 100 100 - 100 - 4.3=100 H TYR 102 - HB3 LEU 27 OK 34 83 - 41 - 2.9/7739=5, 1733/3.0=5...(16) H PHE 40 - HB3 LEU 27 OK 30 97 - 31 - 5502/3.0=6, 5504/3.1=5...(9) H SER 13 - HB3 LEU 27 OK 28 100 - 28 - 5500/1.8=4, 2.9/6522=4...(10) H LEU 77 - HB3 LEU 27 OK 27 97 - 28 - 4.7/8241=5, ~7343=4...(8) H LEU 84 - HB3 LEU 27 OK 26 100 - 26 - 1685/3.0=4, 5504/3.1=4...(7) H LYS 31 - HB3 LEU 27 OK 17 100 - 17 - 5500/1.8=3, 5502/3.0=2...(7) H GLU 38 - HB3 LEU 27 OK 15 78 - 19 - ~6007=3, 5502/3.0=2...(8) H GLY 2 - HB3 LEU 27 lone 4 97 - 4 - Peak 5502 from cnoeabs.peaks (8.50, 1.65, 26.55 ppm; 4.25 A): 8 out of 9 assignments used, quality = 0.94: * H GLU 28 + HG LEU 27 OK 71 100 - 71 - 99/4.3=20, 102=19...(9) H PHE 40 + HG LEU 27 OK 34 97 - 35 - 5504/2.1=5, 6737=5...(13) H LEU 77 + HG LEU 27 OK 24 97 - 24 - 4.7/6560=4, 5504/2.1=3...(9) H LEU 84 + HG LEU 27 OK 22 100 - 22 - 5504/2.1=4, 5503/2.1=3...(7) H SER 13 + HG LEU 27 OK 20 100 - 20 - 5504/2.1=3, 5503/2.1=3...(9) H TYR 102 + HG LEU 27 OK 19 83 - 23 - 505/3.0=3, 1733/4.3=3...(9) H GLU 38 + HG LEU 27 OK 14 78 - 18 - 3.0/6007=5, ~6708=2...(8) H LYS 31 + HG LEU 27 OK 12 100 - 12 - 895/3.0=2, 5501/3.0=2...(5) H GLY 2 - HG LEU 27 lone 3 97 - 3 - Peak 5503 from cnoeabs.peaks (8.50, 0.93, 24.23 ppm; 3.34 A): 11 out of 27 assignments used, quality = 0.95: * H GLU 28 + QD1 LEU 27 OK 70 100 - 70 - 4.8=33, 99/4.0=13...(11) H PHE 40 + QD1 LEU 27 OK 24 97 - 25 - 4.5/8409=5, 5502/2.1=3...(11) H PHE 40 + QD1 LEU 41 OK 22 65 - 34 - 1449/4.3=10, 1582/4.9=6...(8) H LEU 84 + QD1 LEU 27 OK 19 100 - 19 - 5502/2.1=2, 3.6/8355=2...(10) H SER 13 + QD1 LEU 27 OK 17 100 - 17 - 5502/2.1=2, 5504/2.1=2...(10) H LEU 77 + QD1 LEU 27 OK 16 97 - 16 - 5502/2.1=2, 4.7/6531=2...(7) H GLU 28 + QD1 LEU 41 OK 15 70 - 22 - 103=4, 102/3.1=4...(7) H TYR 102 + QD1 LEU 27 OK 14 83 - 17 - 5499/4.0=2, 505/3.1=2...(8) H LEU 84 + QD1 LEU 41 OK 13 70 - 18 - 1689/4.3=4, 1688/4.1=3...(6) H GLU 28 + QD1 LEU 117 OK 12 62 - 19 - 6543/2.1=5, 104=3...(4) H GLU 38 + QD1 LEU 27 OK 11 78 - 14 - 3.0/6708=2, ~6007=2...(6) H GLU 38 - QD1 LEU 41 poor 10 48 - 21 - 3.0/6708=3, ~6008=3...(7) H LYS 31 - QD1 LEU 27 lone 8 100 - 8 - 5502/2.1=1, 895/3.1=1 H LEU 77 - QD1 LEU 41 lone 6 64 - 10 - 4.0/8267=1, 1480/4.9=1 H SER 13 - QD1 LEU 41 lone 5 70 - 7 - 4.6/6299=2, 4.0/6289=1 H TYR 102 - QD1 LEU 41 lone 3 51 - 7 - H GLU 38 - QD1 LEU 117 lone 3 41 - 8 - 3.0/6708=1 H LEU 84 - QD1 LEU 117 lone 3 61 - 4 - 1687/3.8=2 H PHE 40 - QD1 LEU 117 lone 2 57 - 4 - H GLY 2 - QD1 LEU 27 lone 2 97 - 2 - H SER 13 - QD1 LEU 117 lone 2 62 - 3 - H LYS 31 - QD1 LEU 41 lone 2 70 - 3 - H LYS 31 - QD1 LEU 117 lone 2 62 - 3 - H LEU 77 - QD1 LEU 117 lone 1 56 - 2 - H TYR 102 - QD1 LEU 117 lone 1 45 - 2 - H GLY 2 - QD1 LEU 41 lone 1 64 - 1 - H GLY 2 - QD1 LEU 117 lone 0 56 - 0 - Peak 5504 from cnoeabs.peaks (8.50, 0.92, 25.98 ppm; 4.82 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 28 + QD2 LEU 27 OK 100 100 - 100 - 4.8=100 H PHE 40 + QD2 LEU 27 OK 52 97 - 53 - 4.5/6533=15, 6.5/6534=8...(14) H LEU 84 - QD2 LEU 27 OK 39 100 - 39 - 4.6/6533=5, 5502/2.1=4...(12) H SER 13 - QD2 LEU 27 OK 33 100 - 33 - 5502/2.1=4, 5500/3.1=3...(13) H LEU 77 - QD2 LEU 27 OK 31 97 - 32 - 4.7/6528=6, 5502/2.1=5...(10) H TYR 102 - QD2 LEU 27 OK 29 83 - 35 - 4.5/6534=5, 505/3.1=4...(10) H GLU 38 - QD2 LEU 27 OK 23 78 - 29 - 3.0/6708=4, ~6007=4...(13) H LYS 31 - QD2 LEU 27 OK 17 100 - 17 - 5502/2.1=2, 5500/3.1=2...(6) H GLY 2 - QD2 LEU 27 lone 5 97 - 5 - Peak 5505 from cnoeabs.peaks (8.61, 4.16, 55.73 ppm; 2.83 A): 1 out of 4 assignments used, quality = 0.74: * H SER 29 + HA GLU 28 OK 74 100 - 75 - 3.6=50, 5506/3.0=14...(10) H VAL 18 - HA GLU 28 lone 5 71 - 7 - 1443/3.0=2 H ILE 34 - HA GLU 28 lone 3 73 - 5 - 1443/3.0=1 H ASN 106 - HA GLU 28 lone 2 73 - 2 - Peak 5506 from cnoeabs.peaks (8.61, 1.90, 30.21 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.92: * H SER 29 + HB2 GLU 28 OK 92 100 - 92 - 4.2=69, 5505/3.0=32...(11) H VAL 18 - HB2 GLU 28 lone 6 71 - 9 - 1443/3.8=2, 5505/3.0=2 H ILE 34 - HB2 GLU 28 lone 4 73 - 6 - 1443/3.8=2, 5505/3.0=1 H ASN 106 - HB2 GLU 28 lone 2 73 - 3 - Peak 5507 from cnoeabs.peaks (8.61, 1.87, 30.21 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.91: * H SER 29 + HB3 GLU 28 OK 91 100 - 91 - 4.2=69, 5505/3.0=32...(11) H VAL 18 - HB3 GLU 28 lone 6 71 - 8 - 1443/3.8=2, 5505/3.0=2 H ILE 34 - HB3 GLU 28 lone 4 73 - 6 - 1443/3.8=2, 5505/3.0=1 H ASN 106 - HB3 GLU 28 lone 4 73 - 6 - 3.9/7787=1 Peak 5508 from cnoeabs.peaks (8.61, 2.23, 36.06 ppm; 3.59 A): 2 out of 16 assignments used, quality = 0.93: * H SER 29 + HG2 GLU 28 OK 74 100 - 74 - 5506/3.0=23, 5507/3.0=22...(9) H SER 29 + HG3 GLU 28 OK 74 100 - 74 - 5506/3.0=23, 5507/3.0=22...(9) H VAL 18 - HG2 GLU 28 lone 5 71 - 8 - 5506/3.0=2, 1443/5.1=1...(4) H VAL 18 - HG3 GLU 28 lone 5 71 - 8 - 5506/3.0=2, 1443/5.1=1...(4) H ILE 34 - HG2 GLU 28 lone 4 73 - 5 - 1443/5.1=1, 5506/3.0=1...(4) H ILE 34 - HG3 GLU 28 lone 4 73 - 5 - 1443/5.1=1, 5506/3.0=1...(4) H SER 29 - HG3 GLU 64 lone 3 98 - 3 - H ASN 106 - HG2 GLU 28 lone 2 73 - 3 - 5507/3.0=1 H ASN 106 - HG3 GLU 28 lone 2 73 - 3 - 5507/3.0=1 H SER 29 - HG2 GLU 94 lone 2 93 - 2 - H VAL 18 - HG3 GLU 64 lone 2 67 - 3 - H ASN 106 - HG3 GLU 64 lone 1 69 - 1 - H VAL 18 - HG2 GLU 94 lone 1 60 - 1 - H ASN 106 - HG2 GLU 94 lone 1 63 - 1 - H ILE 34 - HG3 GLU 64 lone 0 69 - 1 - H ILE 34 - HG2 GLU 94 lone 0 63 - 1 - Peak 5509 from cnoeabs.peaks (8.61, 2.23, 36.06 ppm; 3.59 A): 2 out of 16 assignments used, quality = 0.93: * H SER 29 + HG3 GLU 28 OK 74 100 - 74 - 5506/3.0=23, 5507/3.0=22...(9) H SER 29 + HG2 GLU 28 OK 74 100 - 74 - 5506/3.0=23, 5507/3.0=22...(9) H VAL 18 - HG3 GLU 28 lone 5 71 - 8 - 5506/3.0=2, 1443/5.1=1...(4) H VAL 18 - HG2 GLU 28 lone 5 71 - 8 - 5506/3.0=2, 1443/5.1=1...(4) H ILE 34 - HG2 GLU 28 lone 4 73 - 5 - 1443/5.1=1, 5506/3.0=1...(4) H ILE 34 - HG3 GLU 28 lone 4 73 - 5 - 1443/5.1=1, 5506/3.0=1...(4) H SER 29 - HG3 GLU 64 lone 3 99 - 3 - H ASN 106 - HG3 GLU 28 lone 2 73 - 3 - 5507/3.0=1 H ASN 106 - HG2 GLU 28 lone 2 73 - 3 - 5507/3.0=1 H SER 29 - HG2 GLU 94 lone 2 94 - 2 - H VAL 18 - HG3 GLU 64 lone 2 68 - 3 - H ASN 106 - HG3 GLU 64 lone 1 70 - 1 - H VAL 18 - HG2 GLU 94 lone 1 62 - 1 - H ASN 106 - HG2 GLU 94 lone 1 64 - 1 - H ILE 34 - HG3 GLU 64 lone 0 70 - 1 - H ILE 34 - HG2 GLU 94 lone 0 64 - 1 - Peak 5512 from cnoeabs.peaks (8.49, 4.50, 62.52 ppm; 3.62 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 31 + HA PRO 30 OK 100 100 - 100 - 3.6=100 H TYR 102 - HA PRO 30 OK 19 87 - 22 - 500=4, 4.6/8245=4...(10) H GLU 38 - HA PRO 30 OK 15 73 - 20 - 3.0/2365=3, 928/2.3=3...(10) H PHE 40 - HA PRO 30 OK 14 99 - 14 - 1579/3.6=4, 5513/2.3=3...(5) H LEU 77 - HA PRO 30 OK 10 95 - 11 - 5513/2.3=2, 1653/3.6=2...(5) H SER 13 - HA PRO 30 lone 7 100 - 7 - 5513/2.3=1, 800/3.6=1 H LEU 84 - HA PRO 30 lone 4 100 - 4 - H GLU 28 - HA PRO 30 lone 4 100 - 4 - H GLY 2 - HA PRO 30 lone 2 98 - 1 - Peak 5513 from cnoeabs.peaks (8.49, 2.13, 31.87 ppm; 4.84 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 31 + HB2 PRO 30 OK 100 100 - 100 - 3.9=100 H PHE 40 - HB2 PRO 30 OK 38 99 - 39 - 6.5/6584=9, 1579/3.0=8...(10) H GLU 38 - HB2 PRO 30 OK 30 73 - 42 - 3.0/2372=7, 928/1.8=4...(14) H LEU 77 - HB2 PRO 30 OK 24 95 - 26 - 2395/5.0=3, 1653/3.0=3...(9) H TYR 102 - HB2 PRO 30 OK 24 87 - 27 - 4.5/6584=5, 500/2.3=5...(8) H SER 13 - HB2 PRO 30 OK 18 100 - 18 - 800/3.0=3, 4.7/6283=2...(8) H GLU 28 - HB2 PRO 30 OK 11 100 - 11 - 2395/5.0=2, 5514/1.8=1...(5) H LEU 84 - HB2 PRO 30 OK 10 100 - 10 - 2395/5.0=2, 5514/1.8=1...(4) H GLY 2 - HB2 PRO 30 lone 4 98 - 4 - Peak 5514 from cnoeabs.peaks (8.49, 1.95, 31.87 ppm; 4.96 A): 1 out of 27 assignments used, quality = 1.00: * H LYS 31 + HB3 PRO 30 OK 100 100 - 100 - 3.9=100 H PHE 40 - HB3 PRO 30 OK 38 99 - 38 - 1579/3.0=8, 5513/1.8=6...(10) H LYS 31 - HB3 LYS 119 OK 37 88 - 42 - 113=6, 894/1.8=5...(13) H GLU 38 - HB3 PRO 30 OK 33 73 - 45 - 3.0/2701=6, ~2372=5...(17) H TYR 102 - HB3 PRO 30 OK 27 87 - 31 - 500/2.3=5, 4.9/7715=4...(10) H LEU 77 - HB3 PRO 30 OK 25 95 - 26 - 5513/1.8=4, 2395/5.0=4...(9) H LYS 31 - HB2 ARG 71 OK 19 41 - 46 - 893/1.8=7, 1444/4.3=7...(12) H SER 13 - HB3 PRO 30 OK 17 100 - 17 - 5513/1.8=3, 800/3.0=3...(7) H LEU 84 - HB3 LYS 119 OK 17 88 - 19 - 1186/2.9=3, 4.0/5215=2...(10) H LEU 77 - HB3 LYS 119 OK 13 79 - 17 - 1139/3.0=3, 7356/1.8=2...(6) H GLU 28 - HB3 PRO 30 OK 13 100 - 13 - 2395/5.0=2, 5513/1.8=2...(5) H LEU 84 - HB3 PRO 30 OK 13 100 - 13 - 2395/5.0=2, 5513/1.8=2...(4) H TYR 102 - HB3 LYS 119 OK 13 71 - 18 - 4.9/7715=3, ~7737=3...(6) H GLU 28 - HB3 LYS 119 lone 8 88 - 9 - 884/1.8=1 H SER 13 - HB3 LYS 119 lone 8 87 - 9 - 4.7/5916=2, 15/4.7=1...(5) H PHE 40 - HB3 LYS 119 lone 7 85 - 8 - H GLU 38 - HB3 LYS 119 lone 6 59 - 9 - 3.0/2701=1, 6704/2.9=1 H GLY 2 - HB3 PRO 30 lone 4 98 - 4 - H TYR 102 - HB2 ARG 71 poor 4 31 - 13 - 500/3.0=3, 4.9/7704=2...(4) H LEU 84 - HB2 ARG 71 lone 3 41 - 8 - 407/3.6=2, 407/3.6=1 H LEU 77 - HB2 ARG 71 lone 3 35 - 7 - 1141/1.8=2, 1651/4.3=1 H PHE 40 - HB2 ARG 71 lone 2 39 - 6 - 6738=1 H GLY 2 - HB3 LYS 119 lone 1 84 - 2 - H SER 13 - HB2 ARG 71 lone 1 40 - 3 - H GLU 28 - HB2 ARG 71 lone 1 41 - 3 - H GLU 38 - HB2 ARG 71 lone 1 24 - 3 - H GLY 2 - HB2 ARG 71 lone 1 38 - 2 - Peak 5515 from cnoeabs.peaks (8.49, 1.61, 26.76 ppm; 5.34 A): 10 out of 27 assignments used, quality = 0.94: * H LYS 31 + HG2 PRO 30 OK 46 100 - 46 - 111/3.8=27, 115/1.8=7...(7) H PHE 40 + HG2 PRO 30 OK 40 99 - 41 - 1579/2.3=9, 8.2/6593=7...(10) H TYR 102 + HG2 PRO 30 OK 33 87 - 38 - 4.9/8249=5, 500/3.8=5...(12) H GLU 38 + HG2 PRO 30 OK 31 73 - 42 - 3.0/2386=6, ~2372=5...(12) H LEU 77 + HG2 PRO 30 OK 23 95 - 24 - 1653/2.3=4, 5513/2.3=4...(7) H SER 13 + HG2 PRO 30 OK 17 100 - 16 - 800/2.3=3, 5513/2.3=3...(7) H PHE 40 + HB3 GLN 42 OK 15 43 - 36 - 1582/4.0=20, 3.6/6014=7...(5) H LEU 84 + HG2 PRO 30 OK 11 100 - 11 - 5513/2.3=2, 5514/2.3=1...(4) H GLU 28 + HG2 PRO 30 OK 10 100 - 10 - 5513/2.3=2, 5516/1.8=1...(4) H GLU 28 + HB3 GLN 42 OK 10 45 - 23 - 98/4.4=5, 104/1.8=3...(10) H TYR 102 - HB3 GLN 42 poor 8 34 - 23 - 4.9/4676=4, 4.6/1275=4...(7) H LYS 31 - HG LEU 126 poor 8 72 - 11 - 3.9/2382=2, 3.6/2381=2 H LYS 31 - HB3 GLN 42 poor 6 45 - 13 - 3.9/2382=2, 115/3.0=2...(5) H SER 13 - HG LEU 126 lone 5 71 - 7 - ~5411=1 H LEU 77 - HB3 GLN 42 poor 4 39 - 10 - 1480/4.0=3, 1141/3.0=1, ~3993=1 H GLY 2 - HG2 PRO 30 lone 4 98 - 4 - H LEU 84 - HB3 GLN 42 lone 4 45 - 8 - 407/3.0=3 H TYR 102 - HG LEU 126 lone 4 56 - 7 - H GLU 38 - HB3 GLN 42 poor 3 27 - 12 - ~6708=4, ~6007=2, 3.0/2386=2 H GLU 28 - HG LEU 126 lone 2 71 - 3 - H PHE 40 - HG LEU 126 lone 2 68 - 3 - H LEU 84 - HG LEU 126 lone 2 71 - 3 - H SER 13 - HB3 GLN 42 lone 2 45 - 4 - H LEU 77 - HG LEU 126 lone 1 63 - 2 - H GLU 38 - HG LEU 126 lone 1 45 - 3 - H GLY 2 - HG LEU 126 lone 1 67 - 1 - H GLY 2 - HB3 GLN 42 lone 1 42 - 2 - Peak 5516 from cnoeabs.peaks (8.49, 1.76, 26.76 ppm; 5.22 A): 7 out of 36 assignments used, quality = 0.94: * H LYS 31 + HG3 PRO 30 OK 46 100 - 46 - 111/3.8=26, 115=7...(6) H PHE 40 + HG3 PRO 30 OK 42 99 - 42 - 1579/2.3=9, 5513/2.3=6...(10) H LYS 31 + HG3 ARG 71 OK 35 73 - 48 - 115=7, 1444/4.7=7...(11) H GLU 38 + HG3 PRO 30 OK 33 73 - 45 - ~2372=5, 5513/2.3=5...(13) H LYS 31 + HG2 ARG 71 OK 27 56 - 48 - 115/1.8=7, 1444/4.7=7...(12) H TYR 102 + HG3 PRO 30 OK 25 87 - 29 - 500/3.8=5, 5515/1.8=4...(9) H LEU 77 + HG3 PRO 30 OK 25 95 - 26 - 1653/2.3=4, 5513/2.3=4...(8) H GLU 28 - HG LEU 117 OK 21 69 - 30 - 6543/2.1=12, 104/2.1=3...(8) H SER 13 - HG3 PRO 30 OK 16 100 - 16 - 800/2.3=3, 5513/2.3=3...(6) H GLU 28 - HG3 PRO 30 OK 12 100 - 12 - 5513/2.3=2, 5515/1.8=1 H LEU 84 - HG3 PRO 30 OK 11 100 - 11 - 5513/2.3=2, 5515/1.8=1 H LYS 31 - HG LEU 117 poor 9 69 - 13 - 3.9/2371=3, 3.6/2364=2...(5) H TYR 102 - HG3 ARG 71 poor 8 57 - 14 - 500/4.0=3, 4.9/8247=3...(4) H GLU 38 - HG LEU 117 poor 8 44 - 17 - ~7086=2, ~6708=2...(6) H LEU 84 - HG LEU 117 lone 6 69 - 9 - 1687/3.6=5 H LEU 84 - HG3 ARG 71 lone 6 73 - 8 - 407/3.0=2, 407/3.0=2 H PHE 40 - HG LEU 117 lone 6 66 - 9 - 4.5/4666=1 H PHE 40 - HG3 ARG 71 lone 6 70 - 8 - H LEU 77 - HG3 ARG 71 lone 6 65 - 9 - 1141/3.0=1, 1651/4.7=1 H TYR 102 - HG2 ARG 71 poor 5 43 - 12 - 500/4.0=3, 4.9/7705=2...(4) H LEU 84 - HG2 ARG 71 lone 4 56 - 8 - 407/3.0=2, 407/3.0=2 H GLY 2 - HG3 PRO 30 lone 4 98 - 4 - H SER 13 - HG LEU 117 lone 4 69 - 5 - 15/4.8=1 H TYR 102 - HG LEU 117 lone 4 54 - 7 - H PHE 40 - HG2 ARG 71 lone 3 53 - 6 - H LEU 77 - HG LEU 117 lone 3 61 - 6 - H LEU 77 - HG2 ARG 71 lone 3 49 - 7 - 1141/3.0=1, 1651/4.7=1 H SER 13 - HG3 ARG 71 lone 3 72 - 4 - H GLU 28 - HG3 ARG 71 lone 3 73 - 4 - H GLU 38 - HG3 ARG 71 lone 2 46 - 5 - H SER 13 - HG2 ARG 71 lone 2 55 - 4 - H GLU 28 - HG2 ARG 71 lone 2 56 - 4 - H GLU 38 - HG2 ARG 71 lone 1 34 - 4 - H GLY 2 - HG3 ARG 71 lone 1 69 - 2 - H GLY 2 - HG LEU 117 lone 1 65 - 2 - H GLY 2 - HG2 ARG 71 lone 1 52 - 2 - Peak 5517 from cnoeabs.peaks (7.41, 4.08, 56.62 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 32 + HA LYS 31 OK 100 100 - 100 - 3.6=100 H SER 72 - HA LYS 31 OK 23 99 - 24 - 1444/2.9=5, 5519/3.0=4...(9) H GLU 75 - HA LYS 31 OK 14 90 - 16 - 1444/2.9=4, 7304/5.0=3...(7) HD21 ASN 79 - HA LYS 31 lone 7 99 - 7 - 1444/2.9=2, 5519/3.0=1 HE21 GLN 105 - HA LYS 31 lone 5 92 - 5 - 1444/2.9=1 H PHE 96 - HA LYS 31 lone 3 85 - 4 - Peak 5518 from cnoeabs.peaks (7.41, 1.73, 31.56 ppm; 3.96 A): 2 out of 12 assignments used, quality = 0.98: H SER 72 + HB3 ARG 71 OK 88 98 - 89 - 4.3=77, 334/4.0=22...(6) * H LYS 32 + HB2 LYS 31 OK 85 100 - 85 - 4.7=62, 119/3.0=25...(11) H SER 72 - HB2 LYS 31 OK 30 99 - 31 - 5519/1.8=5, 5517/3.0=5...(9) H LYS 32 - HB3 ARG 71 OK 28 100 - 28 - 120=6, 3.6/2406=4...(9) H GLU 75 - HB3 ARG 71 OK 27 89 - 30 - 8336/4.0=17, 5701/3.0=4...(7) H GLU 75 - HB2 LYS 31 OK 17 90 - 19 - 1444/4.0=4, 5519/1.8=3...(7) HE21 GLN 105 - HB3 ARG 71 OK 13 91 - 14 - 334/4.0=5, 5701/3.0=2...(4) HD21 ASN 79 - HB3 ARG 71 OK 11 99 - 11 - 1474/4.0=4, 5701/3.0=2 HD21 ASN 79 - HB2 LYS 31 lone 9 99 - 9 - 5519/1.8=2, 1444/4.0=2...(4) HE21 GLN 105 - HB2 LYS 31 lone 7 92 - 7 - 5519/1.8=1, 5517/3.0=1, 337=1 H PHE 96 - HB2 LYS 31 lone 4 85 - 4 - 5519/1.8=1 H PHE 96 - HB3 ARG 71 lone 3 84 - 3 - Peak 5519 from cnoeabs.peaks (7.41, 1.88, 31.56 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.96: * H LYS 32 + HB3 LYS 31 OK 96 100 - 96 - 4.7=86, 119/3.0=29...(12) H SER 72 - HB3 LYS 31 OK 28 99 - 28 - 1444/4.0=6, 5517/3.0=6...(7) H GLU 75 - HB3 LYS 31 OK 17 90 - 18 - 1444/4.0=4, 5517/3.0=4...(5) HD21 ASN 79 - HB3 LYS 31 lone 9 99 - 9 - 1444/4.0=2, 5517/3.0=2...(4) HE21 GLN 105 - HB3 LYS 31 lone 6 92 - 7 - 5520/2.9=1, 5517/3.0=1...(5) H PHE 96 - HB3 LYS 31 lone 6 85 - 7 - 7632=1 Peak 5520 from cnoeabs.peaks (7.41, 1.37, 24.75 ppm; 5.23 A): 4 out of 6 assignments used, quality = 0.91: * H LYS 32 + HG2 LYS 31 OK 82 100 - 82 - 119/4.0=30, 5519/2.9=24...(14) H SER 72 + HG2 LYS 31 OK 33 99 - 34 - 5519/2.9=7, 1444/4.7=7...(7) H GLU 75 + HG2 LYS 31 OK 19 90 - 22 - 1444/4.7=5, 5519/2.9=4...(6) HD21 ASN 79 + HG2 LYS 31 OK 11 99 - 11 - 5519/2.9=2, 1444/4.7=2...(4) HE21 GLN 105 - HG2 LYS 31 lone 8 92 - 8 - 5519/2.9=2, 7284/1.8=1...(5) H PHE 96 - HG2 LYS 31 lone 6 85 - 6 - 5519/2.9=2, 1444/4.7=1 Peak 5526 from cnoeabs.peaks (8.10, 4.42, 54.38 ppm; 2.97 A): 2 out of 7 assignments used, quality = 0.82: * H THR 33 + HA LYS 32 OK 77 100 - 77 - 3.6=58, 130/3.0=9...(14) HD22 ASN 79 + HA LYS 32 OK 24 99 - 25 - 1.7/2485=6, 5527/3.0=4...(8) H LEU 24 - HA LYS 32 lone 8 95 - 8 - 5527/3.0=1, 5528/3.0=1...(5) H GLY 39 - HA LYS 32 lone 6 100 - 6 - 5528/3.0=1, 5527/3.0=1 H GLN 105 - HA LYS 32 lone 5 95 - 6 - H SER 78 - HA LYS 32 lone 4 63 - 7 - 3.6/8752=1, 4.3/2489=1 H LEU 55 - HA LYS 32 lone 4 83 - 5 - 1445/2.9=1 Peak 5527 from cnoeabs.peaks (8.10, 1.79, 34.15 ppm; 3.77 A): 4 out of 7 assignments used, quality = 0.94: * H THR 33 + HB2 LYS 32 OK 85 100 - 85 - 4.7=53, 129/3.0=27...(13) HD22 ASN 79 + HB2 LYS 32 OK 44 99 - 44 - 5528/1.8=9, 1.7/2495=8...(12) H LEU 24 + HB2 LYS 32 OK 14 95 - 15 - 5528/1.8=3, 862/3.0=2...(6) H GLY 39 + HB2 LYS 32 OK 12 100 - 12 - 5528/1.8=3, 5526/3.0=2...(5) H GLN 105 - HB2 LYS 32 poor 10 95 - 10 - 5528/1.8=2, 5526/3.0=2 H SER 78 - HB2 LYS 32 poor 8 63 - 13 - 4.3/2499=3, 3.6/8753=2...(7) H LEU 55 - HB2 LYS 32 lone 7 83 - 9 - 1445/4.0=2, 5528/1.8=1...(4) Peak 5528 from cnoeabs.peaks (8.10, 1.64, 34.15 ppm; 3.76 A): 4 out of 7 assignments used, quality = 0.94: * H THR 33 + HB3 LYS 32 OK 86 100 - 86 - 4.7=53, 129/3.0=27...(14) HD22 ASN 79 + HB3 LYS 32 OK 43 99 - 44 - 1.7/2505=9, 5527/1.8=9...(12) H LEU 24 + HB3 LYS 32 OK 14 95 - 14 - 5527/1.8=3, 862/3.0=2...(6) H GLY 39 + HB3 LYS 32 OK 13 100 - 13 - 5527/1.8=2, 5526/3.0=2...(5) H GLN 105 - HB3 LYS 32 poor 10 95 - 10 - 5527/1.8=2, 5526/3.0=2 H SER 78 - HB3 LYS 32 poor 8 63 - 13 - 4.3/2509=2, 3.6/8754=2...(7) H LEU 55 - HB3 LYS 32 lone 7 83 - 8 - 1445/4.0=2, 5527/1.8=2...(4) Peak 5530 from cnoeabs.peaks (8.10, 1.26, 23.65 ppm; 5.28 A): 2 out of 7 assignments used, quality = 1.00: * H THR 33 + HG3 LYS 32 OK 100 100 - 100 - 5.0=100 HD22 ASN 79 + HG3 LYS 32 OK 59 99 - 60 - 1.7/2525=12, 5527/3.0=11...(12) H LEU 24 - HG3 LYS 32 OK 22 95 - 23 - 862/1.8=4, 5527/3.0=4...(7) H GLY 39 - HG3 LYS 32 OK 17 100 - 17 - 5528/3.0=3, 5527/3.0=3...(6) H SER 78 - HG3 LYS 32 OK 16 63 - 26 - 4.3/2529=4, 4.6/7371=3...(11) H LEU 55 - HG3 LYS 32 OK 15 83 - 18 - 1445/5.0=3, 3.0/7010=2...(10) H GLN 105 - HG3 LYS 32 OK 15 95 - 16 - 5527/3.0=3, 5528/3.0=3...(6) Peak 5535 from cnoeabs.peaks (8.59, 3.86, 63.00 ppm; 2.93 A): 3 out of 12 assignments used, quality = 0.81: * H ILE 34 + HA THR 33 OK 74 100 - 74 - 3.6=55, 5536/3.0=15...(10) H VAL 18 + HA THR 33 OK 19 100 - 19 - 5536/3.0=5, 5537/3.2=3...(6) H ILE 34 + HB2 SER 35 OK 10 95 - 11 - 139=3, 5.0/8184=2...(5) H SER 29 - HA THR 33 lone 5 73 - 7 - 5536/3.0=1, 1446/2.9=1 H VAL 18 - HB2 SER 13 lone 5 95 - 5 - 43/3.0=1 H ILE 34 - HB2 SER 13 lone 4 95 - 4 - 140=1 H VAL 18 - HB2 SER 35 lone 3 95 - 3 - H GLY 86 - HA THR 33 lone 1 63 - 2 - H SER 29 - HB2 SER 13 lone 1 65 - 2 - H GLY 86 - HB2 SER 35 lone 1 55 - 2 - H SER 29 - HB2 SER 35 lone 1 65 - 1 - H GLY 86 - HB2 SER 13 lone 1 55 - 1 - Peak 5536 from cnoeabs.peaks (8.59, 3.86, 69.24 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.72: * H ILE 34 + HB THR 33 OK 65 100 - 65 - 4.6=34, 5537/2.1=22...(7) H VAL 18 + HB THR 33 OK 20 100 - 20 - 5537/2.1=5, 5535/3.0=4...(7) H SER 29 - HB THR 33 lone 5 73 - 7 - 2.9/6617=2, 5537/2.1=2...(4) H GLY 86 - HB THR 33 lone 2 63 - 2 - Peak 5537 from cnoeabs.peaks (8.59, 1.05, 21.50 ppm; 3.37 A): 2 out of 4 assignments used, quality = 0.84: * H ILE 34 + QG2 THR 33 OK 80 100 - 80 - 4.2=53, 5536/2.1=25...(9) H VAL 18 + QG2 THR 33 OK 20 100 - 20 - 5536/2.1=8, 5535/3.2=4...(4) H SER 29 - QG2 THR 33 lone 5 73 - 7 - 5536/2.1=2, ~6617=2...(4) H GLY 86 - QG2 THR 33 lone 2 63 - 3 - Peak 5538 from cnoeabs.peaks (7.88, 4.38, 58.91 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + HA SER 35 OK 100 100 - 100 - 3.6=100 H GLN 103 - HA SER 35 OK 13 90 - 15 - 5540/3.0=3, 1737=2...(6) H GLY 88 - HA SER 35 lone 7 87 - 8 - 5540/3.0=2, 3.6/2631=1 Peak 5540 from cnoeabs.peaks (7.88, 3.76, 63.16 ppm; 5.12 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 36 + HB3 SER 35 OK 100 100 - 100 - 4.5=100 H GLN 103 - HB3 SER 35 OK 10 90 - 11 - 5538/3.0=4, 7770/1.8=3, ~7771=3 H GLY 88 - HB3 SER 35 poor 9 87 - 10 - 5538/3.0=2, 430=1...(5) H ASP 36 - HB3 SER 13 lone 8 99 - 8 - 3.6/2631=4, 143/1.8=2 H GLY 88 - HB3 SER 13 lone 7 84 - 8 - 4.2/4345=1, 4.2/4341=1...(4) H GLN 103 - HB3 SER 13 lone 5 88 - 6 - 506/4.0=2, 7770/1.8=1 Peak 5541 from cnoeabs.peaks (8.52, 3.43, 50.16 ppm; 4.36 A): 3 out of 9 assignments used, quality = 0.94: * H GLU 38 + HD2 PRO 37 OK 86 100 - 86 - 150=37, 6705/3.8=26...(18) H LEU 77 + HD2 PRO 37 OK 39 97 - 41 - 5542/1.8=7, 5546/2.3=7...(12) H GLU 28 + HD2 PRO 37 OK 30 78 - 38 - 5542/1.8=5, 5546/2.3=5...(17) H ARG 53 - HD2 PRO 37 OK 20 76 - 26 - 5546/2.3=5, 5542/1.8=4...(10) H LEU 41 - HD2 PRO 37 OK 15 81 - 19 - 1587/3.6=6, 5542/1.8=3...(7) H SER 13 - HD2 PRO 37 OK 11 83 - 14 - 5542/1.8=2, 5546/2.3=2...(6) H LEU 84 - HD2 PRO 37 poor 9 71 - 12 - 405/3.6=2, 5542/1.8=2...(5) H GLU 94 - HD2 PRO 37 lone 7 85 - 8 - 5542/1.8=1, 5546/2.3=1...(4) H LYS 31 - HD2 PRO 37 lone 6 73 - 7 - 5542/1.8=1 Peak 5542 from cnoeabs.peaks (8.52, 4.04, 50.16 ppm; 4.20 A): 3 out of 9 assignments used, quality = 0.93: * H GLU 38 + HD3 PRO 37 OK 84 100 - 84 - 150/1.8=27, 6705/3.8=24...(18) H LEU 77 + HD3 PRO 37 OK 41 97 - 43 - 5546/2.3=6, 5541/1.8=6...(16) H GLU 28 + HD3 PRO 37 OK 29 78 - 37 - 5541/1.8=5, 5546/2.3=5...(16) H ARG 53 - HD3 PRO 37 OK 20 76 - 26 - 5546/2.3=4, 5541/1.8=3...(11) H LEU 41 - HD3 PRO 37 OK 16 81 - 20 - 1587/3.6=5, 5546/2.3=3...(8) H SER 13 - HD3 PRO 37 OK 13 83 - 15 - 4.6/802=3, 5546/2.3=2...(7) H LEU 84 - HD3 PRO 37 poor 9 71 - 12 - 405/3.6=2, 5541/1.8=1 H GLU 94 - HD3 PRO 37 lone 7 85 - 9 - 5546/2.3=1, 5541/1.8=1 H LYS 31 - HD3 PRO 37 lone 6 73 - 8 - Peak 5543 from cnoeabs.peaks (8.52, 4.14, 65.35 ppm; 3.78 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 38 + HA PRO 37 OK 100 100 - 100 - 3.6=100 H LEU 77 - HA PRO 37 OK 36 97 - 38 - 3.0/6675=5, 5544/2.3=5...(12) H LEU 41 - HA PRO 37 OK 36 81 - 44 - 4.7/5998=11, 4.7/6000=10...(11) H GLU 28 - HA PRO 37 OK 26 78 - 33 - 882=5, 885/2.3=3...(14) H ARG 53 - HA PRO 37 OK 15 76 - 19 - ~6068=3, 5546/3.8=3...(8) H LEU 84 - HA PRO 37 OK 13 71 - 18 - 4.6/6699=3, 405=2...(5) H GLU 94 - HA PRO 37 poor 9 85 - 11 - 4.6/6699=2 H SER 13 - HA PRO 37 poor 9 83 - 11 - 5542/3.6=1, 5546/3.8=1...(5) H LYS 31 - HA PRO 37 lone 5 73 - 6 - Peak 5544 from cnoeabs.peaks (8.52, 1.79, 31.19 ppm; 4.05 A): 1 out of 18 assignments used, quality = 1.00: * H GLU 38 + HB2 PRO 37 OK 100 100 - 100 - 3.9=100 H LEU 77 - HB2 PRO 37 OK 44 97 - 45 - 3.0/6676=7, 5546/2.3=6...(12) H GLU 28 - HB2 PRO 37 OK 27 78 - 35 - 5546/2.3=4, 882/2.3=4...(14) H LEU 41 - HB2 PRO 37 OK 21 81 - 26 - 1587/2.3=6, 4.5/4666=5...(8) H ARG 53 - HB2 PRO 37 OK 20 76 - 27 - 3.0/6068=5, 5546/2.3=4...(10) H GLU 38 - HB2 PRO 60 OK 15 60 - 25 - 3.6/2665=4, 3.9/2679=4...(7) H SER 13 - HB2 PRO 37 OK 11 83 - 13 - 5546/2.3=2, 5542/3.0=2...(6) H LEU 84 - HB2 PRO 37 poor 9 71 - 12 - 405/2.3=2, 4.7/6702=1...(5) H GLU 94 - HB2 PRO 37 lone 8 85 - 10 - 6002/2.3=1, 5546/2.3=1 H LYS 31 - HB2 PRO 37 lone 7 73 - 10 - 4.6/903=1 H LEU 41 - HB2 PRO 60 poor 6 42 - 15 - 164/3.0=5, 944/2.3=2...(5) H ARG 53 - HB2 PRO 60 poor 6 39 - 15 - 3.0/6068=3, ~6066=2...(5) H LEU 77 - HB2 PRO 60 lone 3 55 - 6 - H GLU 94 - HB2 PRO 60 lone 2 45 - 4 - H GLU 28 - HB2 PRO 60 lone 1 40 - 3 - H LEU 84 - HB2 PRO 60 lone 1 36 - 3 - H SER 13 - HB2 PRO 60 lone 1 43 - 2 - H LYS 31 - HB2 PRO 60 lone 1 37 - 2 - Peak 5545 from cnoeabs.peaks (8.52, 2.21, 31.19 ppm; 4.30 A): 2 out of 27 assignments used, quality = 1.00: * H GLU 38 + HB3 PRO 37 OK 100 100 - 100 - 3.9=100 H LEU 77 + HB3 PRO 37 OK 47 97 - 49 - 5546/2.3=7, 3.0/6703=7...(12) H GLU 28 - HB3 PRO 37 OK 33 78 - 42 - 5546/2.3=5, 882/2.3=5...(19) H ARG 53 - HB VAL 26 OK 29 56 - 53 - 6963/2.1=13, 4.0/8432=9...(12) H ARG 53 - HB3 PRO 37 OK 28 76 - 37 - 3.0/8750=5, 5546/2.3=4...(13) H GLU 38 - HB VAL 26 OK 23 83 - 27 - 148=4, 3.6/2667=4...(10) H LEU 41 - HB3 PRO 37 OK 20 81 - 24 - 1587/2.3=7, 4.6/6739=3...(7) H SER 13 - HB3 PRO 37 OK 15 83 - 18 - 4.6/6301=3, 5546/2.3=2...(8) H ARG 53 - HB VAL 49 OK 14 31 - 44 - 1621/3.0=19, 8407/2.1=10...(10) H GLU 28 - HB VAL 26 OK 13 58 - 23 - 4.6/95=10, 6542/2.1=7 H SER 13 - HB VAL 26 OK 12 62 - 19 - 798/3.0=4, 2.9/2244=3...(8) H GLU 94 - HB3 PRO 37 poor 10 85 - 11 - 6002/2.3=2, 5546/2.3=1...(4) H LEU 41 - HB VAL 26 poor 9 60 - 14 - 6758/4.4=4, 8235/2.1=4, ~8260=2 H LEU 84 - HB3 PRO 37 poor 8 71 - 12 - 405/2.3=2, 5546/2.3=1...(5) H LEU 77 - HB VAL 26 lone 6 76 - 8 - 1442/4.4=1 H GLU 38 - HB VAL 49 poor 6 50 - 12 - 148=2, 8407/2.1=2...(5) H LEU 41 - HB VAL 49 poor 6 34 - 17 - 8407/2.1=6, ~2782=3...(5) H LYS 31 - HB3 PRO 37 lone 6 73 - 8 - 5544/1.8=1 H GLU 94 - HB VAL 26 lone 3 64 - 4 - 8235/2.1=2 H GLU 28 - HB VAL 49 lone 3 33 - 8 - 4.6/95=2, 6543/6923=1 H SER 13 - HB VAL 49 lone 2 35 - 7 - 1428/4.4=1, 2.9/2244=1 H LEU 84 - HB VAL 26 lone 2 52 - 4 - 1442/4.4=2 H LYS 31 - HB VAL 26 lone 2 54 - 3 - H GLU 94 - HB VAL 49 lone 2 36 - 5 - 8407/2.1=2, 6042/3.0=1 H LEU 77 - HB VAL 49 lone 2 45 - 4 - H LYS 31 - HB VAL 49 lone 0 30 - 1 - H LEU 84 - HB VAL 49 lone 0 29 - 1 - Peak 5546 from cnoeabs.peaks (8.52, 2.20, 27.36 ppm; 4.08 A): 4 out of 9 assignments used, quality = 0.93: * H GLU 38 + HG2 PRO 37 OK 79 100 - 79 - 150/2.3=24, 148/2.3=18...(15) H LEU 77 + HG2 PRO 37 OK 40 97 - 41 - 5542/2.3=6, 5541/2.3=6...(11) H GLU 28 + HG2 PRO 37 OK 29 78 - 37 - 5542/2.3=4, 5541/2.3=4...(16) H ARG 53 + HG2 PRO 37 OK 26 76 - 34 - 4.0/8432=4, ~6068=3...(15) H LEU 41 - HG2 PRO 37 OK 15 81 - 19 - 1587/3.8=5, 5544/2.3=3...(8) H SER 13 - HG2 PRO 37 OK 13 83 - 15 - 5542/2.3=2, 5541/2.3=2...(8) H LEU 84 - HG2 PRO 37 poor 8 71 - 11 - 405/3.8=2, 5542/2.3=1...(5) H GLU 94 - HG2 PRO 37 lone 7 85 - 8 - 5542/2.3=1, 6002/3.8=1...(4) H LYS 31 - HG2 PRO 37 lone 5 73 - 7 - Peak 5547 from cnoeabs.peaks (8.52, 2.05, 27.36 ppm; 4.63 A): 4 out of 18 assignments used, quality = 0.95: * H GLU 38 + HG3 PRO 37 OK 82 100 - 82 - 150/2.3=30, 148/2.3=20...(17) H LEU 77 + HG3 PRO 37 OK 44 97 - 46 - 5546/1.8=8, 5542/2.3=7...(10) H GLU 28 + HG3 PRO 37 OK 32 78 - 41 - 5546/1.8=6, 5541/2.3=5...(14) H GLU 38 + HG3 PRO 60 OK 32 88 - 36 - 3.6/2668=6, 3.9/2695=5...(12) H ARG 53 - HG3 PRO 37 OK 27 76 - 35 - 5546/1.8=5, 3.0/6066=5...(11) H LEU 41 - HG3 PRO 37 OK 20 81 - 25 - 1587/3.8=6, 5546/1.8=3...(8) H ARG 53 - HG3 PRO 60 OK 14 61 - 23 - 3.0/6066=4, ~6068=2...(9) H LEU 41 - HG3 PRO 60 OK 13 65 - 20 - 164/2.3=7, 944/1.8=3...(7) H SER 13 - HG3 PRO 37 OK 12 83 - 15 - 5546/1.8=3, 5542/2.3=2...(7) H LEU 84 - HG3 PRO 37 poor 10 71 - 14 - 405/3.8=2, 5546/1.8=2...(6) H GLU 94 - HG3 PRO 37 poor 9 85 - 11 - 5546/1.8=2, 5542/2.3=1...(6) H LYS 31 - HG3 PRO 37 lone 6 73 - 8 - 5542/2.3=1, 5544/2.3=1 H LEU 77 - HG3 PRO 60 lone 5 82 - 6 - H GLU 94 - HG3 PRO 60 lone 3 69 - 5 - H GLU 28 - HG3 PRO 60 lone 3 63 - 5 - H LEU 84 - HG3 PRO 60 lone 3 56 - 5 - 4.7/6701=1 H SER 13 - HG3 PRO 60 lone 2 67 - 3 - H LYS 31 - HG3 PRO 60 lone 1 58 - 3 - Peak 5548 from cnoeabs.peaks (8.09, 3.76, 61.13 ppm; 4.33 A): 1 out of 7 assignments used, quality = 1.00: * H GLY 39 + HA GLU 38 OK 100 100 - 100 - 3.6=100 H LEU 55 - HA GLU 38 OK 24 71 - 34 - 244=5, 1447/3.0=3...(13) HD22 ASN 79 - HA GLU 38 OK 22 97 - 23 - 1447/3.0=4, 153=2...(7) H LEU 24 - HA GLU 38 OK 14 99 - 15 - 1447/3.0=2, 4.8/6467=2...(5) H THR 33 - HA GLU 38 OK 14 100 - 14 - 1447/3.0=4, 5549/3.0=1...(4) H SER 78 - HA GLU 38 OK 14 76 - 18 - 1447/3.0=5, 4.5/1653=4...(5) H GLN 105 - HA GLU 38 OK 12 99 - 12 - 1447/3.0=2, 1297/3.0=2 Peak 5549 from cnoeabs.peaks (8.09, 1.94, 29.14 ppm; 4.09 A): 2 out of 21 assignments used, quality = 0.94: * H GLY 39 + HB2 GLU 38 OK 92 100 - 92 - 4.4=83, 153/3.0=16...(8) H LEU 24 + HB3 ARG 85 OK 24 97 - 25 - 79/4.0=8, 80/3.0=4...(7) H LEU 24 - HB2 ARG 85 OK 24 97 - 25 - 79/4.0=8, 80/3.0=4...(7) HD22 ASN 79 - HB2 GLU 38 OK 19 97 - 20 - 1447/3.8=3, 5548/3.0=3...(7) H GLY 39 - HB2 ARG 85 OK 15 99 - 15 - 154=3, 3.6/2701=3...(5) H GLY 39 - HB3 ARG 85 OK 15 99 - 15 - 154=3, 3.6/2701=3...(5) H LEU 24 - HB2 GLU 38 OK 12 99 - 12 - 5548/3.0=2, 1447/3.8=2 H SER 78 - HB2 GLU 38 OK 11 76 - 14 - 1447/3.8=3, 5548/3.0=2...(6) H THR 33 - HB2 GLU 38 OK 11 100 - 11 - 1447/3.8=3, 5548/3.0=2 H LEU 55 - HB2 GLU 38 OK 10 71 - 14 - 5548/3.0=3, 1447/3.8=3...(5) H GLN 105 - HB2 GLU 38 lone 9 99 - 9 - 1297/1.8=2, 5548/3.0=2 H THR 33 - HB2 ARG 85 lone 5 99 - 5 - H THR 33 - HB3 ARG 85 lone 5 99 - 5 - HD22 ASN 79 - HB2 ARG 85 lone 5 95 - 5 - HD22 ASN 79 - HB3 ARG 85 lone 5 95 - 5 - H SER 78 - HB2 ARG 85 lone 4 74 - 5 - 1658/3.0=1 H SER 78 - HB3 ARG 85 lone 4 74 - 5 - 1658/3.0=1 H LEU 55 - HB2 ARG 85 lone 3 69 - 4 - 1629/4.7=2 H LEU 55 - HB3 ARG 85 lone 3 69 - 4 - 1629/4.7=2 H GLN 105 - HB3 ARG 85 lone 2 97 - 2 - H GLN 105 - HB2 ARG 85 lone 2 97 - 2 - Peak 5550 from cnoeabs.peaks (8.09, 2.06, 29.14 ppm; 3.97 A): 2 out of 21 assignments used, quality = 0.91: * H GLY 39 + HB3 GLU 38 OK 88 100 - 88 - 4.4=75, 153/3.0=16...(7) H LEU 24 + HB2 ARG 57 OK 29 93 - 31 - 863/3.0=4, 4.8/8207=4...(12) HD22 ASN 79 - HB3 GLU 38 OK 18 97 - 19 - 1.7/7380=3, 1447/3.8=3...(7) H GLY 39 - HB2 ARG 57 OK 18 96 - 19 - 3.6/6074=4, 155=3...(6) H GLN 105 - HB2 ARG 57 OK 14 93 - 16 - 1298/1.8=3, 1297=3...(6) H LEU 55 - HB3 GLU 38 OK 11 71 - 16 - 5548/3.0=3, 3.6/6073=3...(5) H LEU 55 - HB2 ARG 57 OK 11 63 - 18 - 1638/3.7=7, 3.6/6073=4...(4) H GLN 105 - HB3 GLU 38 OK 11 99 - 11 - 1297=2, 5548/3.0=2...(4) H LEU 24 - HB3 GLU 38 OK 11 99 - 11 - 5548/3.0=2, 1447/3.8=2...(4) H SER 78 - HB3 GLU 38 OK 10 76 - 13 - 1447/3.8=3, 5548/3.0=2...(5) H THR 33 - HB3 GLU 38 lone 10 100 - 10 - 1447/3.8=2, 5548/3.0=2 HD22 ASN 79 - HB2 ARG 57 lone 7 90 - 8 - 1638/3.7=2 H LEU 55 - HB2 GLU 56 poor 6 24 - 25 - 250/3.7=12, 1638/4.6=6...(5) H GLY 39 - HB2 GLU 56 poor 5 43 - 13 - 1638/4.6=2, 250/3.7=2...(5) H SER 78 - HB2 ARG 57 lone 5 68 - 7 - 2.9/7449=1 H THR 33 - HB2 ARG 57 lone 5 94 - 5 - 1638/3.7=1 HD22 ASN 79 - HB2 GLU 56 poor 5 38 - 12 - 250/3.7=3, 1638/4.6=2...(4) H THR 33 - HB2 GLU 56 lone 3 42 - 6 - 250/3.7=2, 130/1.8=2 H SER 78 - HB2 GLU 56 lone 1 27 - 4 - 2.9/7449=1 H GLN 105 - HB2 GLU 56 lone 1 40 - 2 - H LEU 24 - HB2 GLU 56 lone 1 40 - 1 - Peak 5551 from cnoeabs.peaks (8.09, 2.24, 37.59 ppm; 4.21 A): 2 out of 14 assignments used, quality = 0.97: * H GLY 39 + HG2 GLU 38 OK 82 100 - 82 - 4.9=63, 153/4.0=13...(9) H GLY 39 + HG3 GLU 38 OK 82 100 - 82 - 4.9=63, 153/4.0=13...(9) HD22 ASN 79 - HG2 GLU 38 OK 17 97 - 18 - 5548/4.0=3, 1447/5.0=2...(7) HD22 ASN 79 - HG3 GLU 38 OK 17 97 - 18 - 5548/4.0=3, 1447/5.0=2...(7) H LEU 55 - HG3 GLU 38 poor 10 71 - 13 - 5548/4.0=3, 1447/5.0=2...(6) H LEU 55 - HG2 GLU 38 poor 10 71 - 13 - 5548/4.0=3, 1447/5.0=2...(6) H SER 78 - HG2 GLU 38 poor 8 76 - 11 - 1447/5.0=3, 5548/4.0=2...(4) H SER 78 - HG3 GLU 38 poor 8 76 - 11 - 1447/5.0=3, 5548/4.0=2...(4) H LEU 24 - HG2 GLU 38 lone 8 99 - 8 - 5548/4.0=2, 1447/5.0=1...(4) H LEU 24 - HG3 GLU 38 lone 8 99 - 8 - 5548/4.0=2, 1447/5.0=1...(4) H THR 33 - HG2 GLU 38 lone 8 100 - 8 - 1447/5.0=2, 5548/4.0=2...(4) H THR 33 - HG3 GLU 38 lone 8 100 - 8 - 1447/5.0=2, 5548/4.0=2...(4) H GLN 105 - HG2 GLU 38 lone 7 99 - 7 - 1297/3.0=2, 5548/4.0=1...(4) H GLN 105 - HG3 GLU 38 lone 7 99 - 7 - 1297/3.0=2, 5548/4.0=1...(4) Peak 5552 from cnoeabs.peaks (8.09, 2.24, 37.59 ppm; 4.21 A): 2 out of 14 assignments used, quality = 0.97: H GLY 39 + HG2 GLU 38 OK 82 100 - 82 - 4.9=63, 153/4.0=13...(9) * H GLY 39 + HG3 GLU 38 OK 82 100 - 82 - 4.9=63, 153/4.0=13...(9) HD22 ASN 79 - HG2 GLU 38 OK 17 97 - 18 - 5548/4.0=3, 1447/5.0=2...(7) HD22 ASN 79 - HG3 GLU 38 OK 17 97 - 18 - 5548/4.0=3, 1447/5.0=2...(7) H LEU 55 - HG3 GLU 38 poor 10 71 - 13 - 5548/4.0=3, 1447/5.0=2...(6) H LEU 55 - HG2 GLU 38 poor 10 71 - 13 - 5548/4.0=3, 1447/5.0=2...(6) H SER 78 - HG2 GLU 38 poor 8 76 - 11 - 1447/5.0=3, 5548/4.0=2...(4) H SER 78 - HG3 GLU 38 poor 8 76 - 11 - 1447/5.0=3, 5548/4.0=2...(4) H LEU 24 - HG2 GLU 38 lone 8 99 - 8 - 5548/4.0=2, 1447/5.0=1...(4) H LEU 24 - HG3 GLU 38 lone 8 99 - 8 - 5548/4.0=2, 1447/5.0=1...(4) H THR 33 - HG2 GLU 38 lone 8 100 - 8 - 1447/5.0=2, 5548/4.0=2...(4) H THR 33 - HG3 GLU 38 lone 8 100 - 8 - 1447/5.0=2, 5548/4.0=2...(4) H GLN 105 - HG2 GLU 38 lone 7 99 - 7 - 1297/3.0=2, 5548/4.0=1...(4) H GLN 105 - HG3 GLU 38 lone 7 99 - 7 - 1297/3.0=2, 5548/4.0=1...(4) Peak 5553 from cnoeabs.peaks (8.49, 3.60, 47.07 ppm; 4.58 A): 1 out of 8 assignments used, quality = 1.00: * H PHE 40 + HA2 GLY 39 OK 100 100 - 100 - 3.6=100 H GLU 28 - HA2 GLY 39 OK 18 97 - 19 - 1448/2.9=4, 5554/1.8=3...(7) H LEU 77 - HA2 GLY 39 OK 15 81 - 19 - 4.5/6011=7, 1448/2.9=4...(5) H LEU 84 - HA2 GLY 39 lone 8 99 - 8 - 1448/2.9=2, 1689/6010=2 H TYR 102 - HA2 GLY 39 lone 7 97 - 8 - 1448/2.9=2, 5554/1.8=1 H LYS 31 - HA2 GLY 39 lone 7 99 - 7 - 1448/2.9=3, 5554/1.8=1 H SER 13 - HA2 GLY 39 lone 5 96 - 5 - 1448/2.9=2 H GLY 2 - HA2 GLY 39 lone 2 100 - 2 - Peak 5554 from cnoeabs.peaks (8.49, 3.81, 47.07 ppm; 4.49 A): 1 out of 24 assignments used, quality = 1.00: * H PHE 40 + HA3 GLY 39 OK 100 100 - 100 - 3.6=100 H GLU 28 - HA3 GLY 39 OK 19 97 - 19 - 5553/1.8=4, 1448/2.9=4...(6) H LEU 84 - HA2 GLY 88 OK 14 57 - 24 - ~1709=8, 404/3.0=8...(4) H LEU 84 - HA3 GLY 88 OK 13 55 - 24 - ~1709=8, 404/3.0=8...(4) H LEU 77 - HA3 GLY 39 OK 10 81 - 13 - 1448/2.9=4, 5553/1.8=4...(4) H LEU 84 - HA3 GLY 39 lone 8 99 - 8 - 1448/2.9=2, 5553/1.8=2...(4) H PHE 40 - HA2 GLY 88 poor 7 59 - 12 - 160=2, 3.6/2731=2...(5) H PHE 40 - HA3 GLY 88 poor 7 57 - 12 - 160=2, 160/1.8=2...(5) H LYS 31 - HA3 GLY 39 lone 7 99 - 7 - 1448/2.9=3, 5553/1.8=2 H TYR 102 - HA3 GLY 39 lone 7 97 - 7 - 1448/2.9=2, 5553/1.8=2 H GLU 28 - HA2 GLY 88 lone 5 54 - 9 - 3.0/6544=2, ~6544=1...(4) H GLU 28 - HA3 GLY 88 lone 5 53 - 9 - 3.0/6544=2, ~6544=1...(4) H SER 13 - HA3 GLY 39 lone 5 96 - 5 - 1448/2.9=2, 5553/1.8=1 H GLY 2 - HA3 GLY 39 lone 2 100 - 2 - H LEU 77 - HA3 GLY 88 lone 2 39 - 4 - H LEU 77 - HA2 GLY 88 lone 2 41 - 4 - H TYR 102 - HA2 GLY 88 lone 1 54 - 3 - H TYR 102 - HA3 GLY 88 lone 1 53 - 3 - H LYS 31 - HA2 GLY 88 lone 1 56 - 2 - H LYS 31 - HA3 GLY 88 lone 1 54 - 2 - H SER 13 - HA2 GLY 88 lone 1 52 - 1 - H GLY 2 - HA2 GLY 88 lone 1 59 - 1 - H SER 13 - HA3 GLY 88 lone 1 51 - 1 - H GLY 2 - HA3 GLY 88 lone 1 57 - 1 - Peak 5555 from cnoeabs.peaks (8.54, 4.34, 60.39 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 41 + HA PHE 40 OK 100 100 - 100 - 3.6=100 H GLU 38 - HA PHE 40 OK 23 81 - 29 - 1449/3.0=9, ~1579=5...(6) H ARG 53 - HA PHE 40 OK 12 100 - 12 - 1449/3.0=3, 5557/3.0=3...(4) H GLU 94 - HA PHE 40 OK 10 100 - 10 - 1449/3.0=3, 5557/3.0=2...(4) H GLY 86 - HA PHE 40 poor 10 87 - 11 - 1696/3.0=4, 5557/3.0=3 Peak 5556 from cnoeabs.peaks (8.54, 2.90, 39.72 ppm; 4.15 A): 3 out of 10 assignments used, quality = 0.94: * H LEU 41 + HB2 PHE 40 OK 87 100 - 87 - 4.7=71, 164/1.8=25...(6) H LEU 41 + HB2 ASP 100 OK 39 99 - 39 - 163=12, 3.6/2737=8...(6) H GLU 38 + HB2 PHE 40 OK 30 81 - 37 - 3.6/5998=18, 1449/4.0=7...(6) H ARG 53 - HB2 PHE 40 OK 13 100 - 13 - 5557/1.8=4, 1449/4.0=2...(5) H GLU 94 - HB2 PHE 40 OK 11 100 - 11 - 5557/1.8=3, 458/2.5=2...(4) H GLY 86 - HB2 PHE 40 OK 10 87 - 12 - 5557/1.8=4, 1696/4.0=3 H GLU 38 - HB2 ASP 100 lone 8 78 - 10 - 3.6/5998=5, 3.9/8148=1 H ARG 53 - HB2 ASP 100 lone 5 99 - 6 - 234/1.8=1 H GLY 86 - HB2 ASP 100 lone 2 84 - 3 - H GLU 94 - HB2 ASP 100 lone 2 99 - 2 - Peak 5557 from cnoeabs.peaks (8.54, 3.35, 39.72 ppm; 4.07 A): 5 out of 5 assignments used, quality = 0.93: * H LEU 41 + HB3 PHE 40 OK 85 100 - 85 - 4.7=67, 163/1.8=23...(6) H GLU 38 + HB3 PHE 40 OK 26 81 - 33 - 3.6/6000=15, 1449/4.0=7...(6) H GLY 86 + HB3 PHE 40 OK 15 87 - 17 - 1696/4.0=3, 3.6/4281=2...(6) H ARG 53 + HB3 PHE 40 OK 15 100 - 15 - 1449/4.0=2, 5555/3.0=2...(7) H GLU 94 + HB3 PHE 40 OK 11 100 - 10 - 458/2.5=2, 5555/3.0=2...(4) Peak 5561 from cnoeabs.peaks (8.05, 3.64, 57.53 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 42 + HA LEU 41 OK 100 100 - 100 - 3.6=100 H SER 112 - HA LEU 41 OK 34 85 - 40 - 1450/3.0=8, 5563/3.0=7...(10) H SER 78 - HA LEU 41 OK 29 85 - 34 - 1450/3.0=7, 5563/3.0=6...(6) Peak 5562 from cnoeabs.peaks (8.05, 1.98, 41.64 ppm; 4.43 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 42 + HB2 LEU 41 OK 100 100 - 100 - 4.2=100 H SER 112 - HB2 LEU 41 OK 37 85 - 44 - 5563/1.8=8, 5565/3.1=7...(11) H SER 78 - HB2 LEU 41 OK 31 85 - 36 - 5563/1.8=7, 5565/3.1=6...(8) H GLN 42 - HB2 LEU 55 OK 12 64 - 19 - 170=2, 3.6/2785=2...(7) H SER 112 - HB2 LEU 55 OK 10 48 - 21 - 1755/3.0=3, 3.6/8418=2...(10) H SER 78 - HB2 LEU 55 poor 8 48 - 17 - 369/1.8=6, 4.3/6746=4 Peak 5563 from cnoeabs.peaks (8.05, 1.66, 41.64 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 42 + HB3 LEU 41 OK 100 100 - 100 - 4.2=100 H SER 112 - HB3 LEU 41 OK 35 85 - 41 - 5562/1.8=7, 5565/3.1=7...(10) H SER 78 - HB3 LEU 41 OK 30 85 - 35 - 5562/1.8=6, 5565/3.1=6...(6) Peak 5565 from cnoeabs.peaks (8.05, 0.89, 24.43 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.94: * H GLN 42 + QD2 LEU 41 OK 91 100 - 91 - 4.9=62, 3.6/2806=18...(21) H SER 112 + QD2 LEU 41 OK 31 85 - 37 - 5563/3.1=6, 5566/2.1=6...(10) H SER 78 - QD2 LEU 41 OK 27 85 - 32 - 5563/3.1=5, 1450/4.3=5...(9) Peak 5566 from cnoeabs.peaks (8.05, 0.93, 24.55 ppm; 4.57 A): 1 out of 6 assignments used, quality = 0.97: * H GLN 42 + QD1 LEU 41 OK 97 100 - 97 - 4.9=82, 5565/2.1=25...(23) H SER 112 - QD1 LEU 41 OK 41 85 - 48 - 5565/2.1=9, 5563/3.1=7...(11) H GLN 42 - QD1 LEU 27 OK 39 70 - 56 - 171/2.1=6, 174=6...(20) H SER 78 - QD1 LEU 41 OK 33 85 - 38 - 5565/2.1=8, 5563/3.1=6...(7) H SER 112 - QD1 LEU 27 OK 12 53 - 22 - 7917=2, 4.6/7914=2...(7) H SER 78 - QD1 LEU 27 poor 8 53 - 16 - 4.3/8267=2, 366/4.8=2...(4) Peak 5567 from cnoeabs.peaks (7.50, 3.21, 60.03 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 43 + HA GLN 42 OK 100 100 - 100 - 3.6=100 H GLY 104 - HA GLN 42 OK 39 81 - 48 - 7779/5.5=13, 5568/3.0=8...(8) H LYS 109 - HA GLN 42 OK 34 85 - 40 - 1451/3.0=7, 5568/3.0=7...(11) Peak 5568 from cnoeabs.peaks (7.50, 0.92, 27.10 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.96: * H ALA 43 + HB2 GLN 42 OK 93 100 - 93 - 4.6=75, 180/3.0=22...(17) H GLY 104 + HB2 GLN 42 OK 41 81 - 51 - 7779/4.4=14, 5569/1.8=9...(10) H LYS 109 - HB2 GLN 42 OK 32 85 - 37 - 5569/1.8=6, 5571/3.0=6...(9) Peak 5569 from cnoeabs.peaks (7.50, 1.64, 27.10 ppm; 3.84 A): 3 out of 9 assignments used, quality = 0.93: * H ALA 43 + HB3 GLN 42 OK 86 100 - 86 - 4.6=58, 180/3.0=19...(16) H GLY 104 + HB3 GLN 42 OK 36 81 - 45 - 7779/4.4=12, 5568/1.8=8...(10) H LYS 109 + HB3 GLN 42 OK 26 85 - 31 - 5568/1.8=6, 5571/3.0=5...(7) H ALA 43 - HG LEU 101 poor 7 46 - 16 - 7724/2.1=4, 178=3...(5) H GLY 104 - HG2 PRO 30 poor 5 31 - 16 - 8568/3.8=4, 1293/2.3=2...(6) H GLY 104 - HG LEU 101 poor 5 31 - 16 - 8568/4.3=7, 7724/2.1=6 H ALA 43 - HG2 PRO 30 poor 5 45 - 10 - 3.6/2822=2, 178=2...(5) H LYS 109 - HG LEU 101 poor 4 33 - 13 - 7724/2.1=6, 549/4.9=3, ~7701=1 H LYS 109 - HG2 PRO 30 lone 3 33 - 8 - 1324/2.3=1, 1329/1.8=1 Peak 5570 from cnoeabs.peaks (7.50, 1.76, 33.51 ppm; 4.53 A): 3 out of 6 assignments used, quality = 0.96: * H ALA 43 + HG2 GLN 42 OK 82 100 - 82 - 180/1.8=30, 5568/3.0=20...(12) H ALA 43 + HB3 LYS 46 OK 60 72 - 83 - 1595/3.0=13, 179=10...(34) H GLY 104 + HG2 GLN 42 OK 50 81 - 62 - 7779/3.5=20, 5571/1.8=11...(10) H LYS 109 - HG2 GLN 42 OK 40 85 - 47 - 5571/1.8=8, 5568/3.0=7...(13) H LYS 109 - HB3 LYS 46 OK 25 54 - 46 - 1327/3.5=6, 3.0/4886=5...(15) H GLY 104 - HB3 LYS 46 OK 11 51 - 21 - 517/4.7=5, 515/1.8=3...(6) Peak 5571 from cnoeabs.peaks (7.50, 1.69, 33.51 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.95: * H ALA 43 + HG3 GLN 42 OK 85 100 - 85 - 180=31, 3.6/2824=23...(15) H GLY 104 + HG3 GLN 42 OK 47 81 - 59 - 7779/3.5=20, 7778/3.5=9...(10) H LYS 109 + HG3 GLN 42 OK 34 85 - 40 - 5568/3.0=7, 5570/1.8=6...(12) Peak 5572 from cnoeabs.peaks (7.95, 3.92, 54.55 ppm; 4.17 A): 1 out of 6 assignments used, quality = 1.00: * H SER 44 + HA ALA 43 OK 100 100 - 100 - 3.6=100 H ASP 47 - HA ALA 43 OK 38 73 - 52 - 4.6/6812=12, 3.6/6810=9...(11) H VAL 66 - HA ALA 43 OK 11 93 - 11 - 5573/2.1=2, 3.0/7175=1 H ALA 89 - HA ALA 43 OK 10 98 - 10 - 1452/3.0=3, 5573/2.1=2...(4) H LEU 114 - HA ALA 43 poor 9 73 - 12 - 5573/2.1=3, 1715=2...(4) H ARG 92 - HA ALA 43 lone 5 93 - 5 - 5573/2.1=1 Peak 5573 from cnoeabs.peaks (7.95, 1.34, 17.95 ppm; 3.25 A): 2 out of 6 assignments used, quality = 0.89: * H SER 44 + QB ALA 43 OK 86 100 - 86 - 3.6=76, 183/2.9=21...(7) H ASP 47 + QB ALA 43 OK 22 73 - 30 - 4.6/6814=5, 5572/2.1=5...(10) H LEU 114 - QB ALA 43 poor 8 73 - 11 - 4.6/7962=1, 5572/2.1=1...(6) H ALA 89 - QB ALA 43 lone 6 98 - 6 - 1452/2.9=2, 5572/2.1=1 H VAL 66 - QB ALA 43 lone 5 93 - 5 - 5572/2.1=1 H ARG 92 - QB ALA 43 lone 4 93 - 4 - Peak 5574 from cnoeabs.peaks (7.78, 4.07, 60.94 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 45 + HA SER 44 OK 100 100 - 100 - 3.6=100 H ILE 124 - HA SER 44 OK 28 100 - 28 - 1453/2.9=7, 6815/4.6=5...(8) H GLY 48 - HA SER 44 OK 22 89 - 25 - 1453/2.9=7, 4.4/2865=5...(6) HD21 ASN 106 - HA SER 44 lone 5 73 - 6 - 1453/2.9=1 Peak 5575 from cnoeabs.peaks (7.78, 3.46, 62.81 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 45 + HB2 SER 44 OK 100 100 - 100 - 4.6=100 H GLY 48 - HB2 SER 44 OK 22 89 - 25 - 1453/4.0=7, 5574/3.0=6...(6) H ILE 124 - HB2 SER 44 OK 17 100 - 17 - 5574/3.0=7, 1453/4.0=7 HD21 ASN 106 - HB2 SER 44 lone 3 73 - 4 - 1453/4.0=1, 5574/3.0=1 Peak 5576 from cnoeabs.peaks (7.78, 3.50, 62.81 ppm; 5.00 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 45 + HB3 SER 44 OK 100 100 - 100 - 4.6=100 H GLY 48 - HB3 SER 44 OK 19 89 - 22 - 1453/4.0=7, 5574/3.0=6...(5) H ILE 124 - HB3 SER 44 OK 19 100 - 19 - 5574/3.0=7, 1453/4.0=7...(4) HD21 ASN 106 - HB3 SER 44 lone 3 73 - 5 - 1453/4.0=1, 5574/3.0=1 Peak 5577 from cnoeabs.peaks (6.90, 4.59, 54.09 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 46 + HA LEU 45 OK 100 100 - 100 - 3.6=100 HZ3 TRP 20 - HA LEU 45 OK 32 100 - 32 - 1454/3.0=6, 5582/4.0=6...(10) QE TYR 102 - HA LEU 45 OK 17 63 - 27 - 7760=6, 4762/4.0=4...(7) HE22 GLN 103 - HA LEU 45 OK 12 100 - 12 - 1454/3.0=4, 5579/3.0=2 Peak 5579 from cnoeabs.peaks (6.90, 1.45, 43.18 ppm; 5.24 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 46 + HB3 LEU 45 OK 100 100 - 100 - 4.3=100 HZ3 TRP 20 - HB3 LEU 45 OK 36 100 - 36 - 5582/3.1=8, 5577/3.0=8...(9) QE TYR 102 - HB3 LEU 45 OK 26 63 - 41 - ~4748=6, 4762/3.1=6...(11) HE22 GLN 103 - HB3 LEU 45 OK 17 100 - 17 - 1454/4.0=4, 5582/3.1=3...(4) Peak 5582 from cnoeabs.peaks (6.90, 0.65, 25.76 ppm; 4.50 A): 4 out of 4 assignments used, quality = 0.84: * H LYS 46 + QD1 LEU 45 OK 70 100 - 70 - 196=20, 1454/4.7=20...(14) HZ3 TRP 20 + QD1 LEU 45 OK 27 100 - 27 - 5577/4.0=5, 5579/3.1=5...(11) QE TYR 102 + QD1 LEU 45 OK 19 63 - 31 - ~4748=6, 4762/2.1=6...(9) HE22 GLN 103 + QD1 LEU 45 OK 11 100 - 11 - 1454/4.7=3, 5579/3.1=2...(4) Peak 5583 from cnoeabs.peaks (7.92, 3.64, 60.95 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 47 + HA LYS 46 OK 100 100 - 100 - 3.6=100 H SER 44 + HA LYS 46 OK 60 73 - 81 - 6818/2.9=16, 1603=14...(18) Peak 5584 from cnoeabs.peaks (7.92, 2.00, 33.20 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.99: * H ASP 47 + HB2 LYS 46 OK 98 100 - 98 - 4.4=94, 5585/1.8=23...(10) H SER 44 + HB2 LYS 46 OK 48 73 - 66 - 6818/4.0=11, 5585/1.8=11...(15) H ASP 47 - HB2 MET 11 OK 13 95 - 13 - 3.6/2930=3, 199=3...(7) H SER 44 - HB2 MET 11 lone 4 65 - 6 - Peak 5585 from cnoeabs.peaks (7.92, 1.75, 33.20 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.94: * H ASP 47 + HB3 LYS 46 OK 89 100 - 89 - 4.4=76, 5584/1.8=20...(10) H SER 44 + HB3 LYS 46 OK 45 73 - 61 - 5584/1.8=10, 6818/4.0=10...(16) H SER 44 - HG2 GLN 42 OK 19 45 - 42 - 1602/5.2=8, 1601/3.9=7...(12) H ASP 47 - HG2 GLN 42 OK 11 72 - 16 - 200=3, 6870/3.0=2...(5) Peak 5586 from cnoeabs.peaks (7.92, 1.33, 24.73 ppm; 4.86 A): 4 out of 6 assignments used, quality = 1.00: H ASP 47 + HG3 LYS 46 OK 99 100 - 99 - 4.9=96, 5584/2.9=23...(9) * H ASP 47 + HG2 LYS 46 OK 99 100 - 99 - 4.9=96, 5584/2.9=23...(9) H SER 44 + HG2 LYS 46 OK 50 73 - 68 - 6818/5.1=11, 5583/3.9=11...(15) H SER 44 + HG3 LYS 46 OK 50 73 - 68 - 6818/5.1=11, 5583/3.9=11...(15) H ASP 47 - HG3 LYS 119 OK 17 90 - 19 - 3.6/2923=4, 203/1.8=3...(6) H SER 44 - HG3 LYS 119 lone 4 60 - 7 - Peak 5587 from cnoeabs.peaks (7.92, 1.33, 24.73 ppm; 4.86 A): 4 out of 6 assignments used, quality = 1.00: * H ASP 47 + HG3 LYS 46 OK 99 100 - 99 - 4.9=96, 5584/2.9=23...(9) H ASP 47 + HG2 LYS 46 OK 99 100 - 99 - 4.9=96, 5584/2.9=23...(9) H SER 44 + HG2 LYS 46 OK 50 73 - 68 - 6818/5.1=11, 5583/3.9=11...(15) H SER 44 + HG3 LYS 46 OK 50 73 - 68 - 6818/5.1=11, 5583/3.9=11...(15) H ASP 47 - HG3 LYS 119 OK 17 90 - 19 - 3.6/2923=4, 203/1.8=3...(6) H SER 44 - HG3 LYS 119 lone 4 60 - 7 - Peak 5592 from cnoeabs.peaks (7.77, 4.58, 53.17 ppm; 4.57 A): 1 out of 8 assignments used, quality = 1.00: * H GLY 48 + HA ASP 47 OK 100 100 - 100 - 3.6=100 H LEU 45 - HA ASP 47 OK 43 89 - 49 - 1456/3.0=15, 965=9...(13) H GLY 48 - HA GLU 69 OK 41 97 - 42 - 208=9, 1457/3.0=8...(10) H LEU 45 - HA GLU 69 OK 26 82 - 31 - 965=5, 188/3.8=4...(14) H ILE 124 - HA ASP 47 OK 10 95 - 11 - 1456/3.0=5, 4.7/8119=2 H ILE 124 - HA GLU 69 lone 3 89 - 4 - H LEU 91 - HA ASP 47 lone 1 81 - 2 - H LEU 91 - HA GLU 69 lone 1 74 - 2 - Peak 5597 from cnoeabs.peaks (8.85, 3.26, 68.05 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 50 + HA VAL 49 OK 100 100 - 100 - 3.6=100 H ALA 14 - HA VAL 49 OK 31 100 - 31 - 5599/3.2=7, 1458/3.0=6...(7) H ASN 108 - HA VAL 49 OK 25 99 - 25 - 5599/3.2=5, 1458/3.0=5...(7) Peak 5598 from cnoeabs.peaks (8.85, 2.19, 31.42 ppm; 4.09 A): 2 out of 9 assignments used, quality = 0.96: * H VAL 50 + HB VAL 49 OK 93 100 - 93 - 4.4=78, 5599/2.1=23...(9) H VAL 50 + HB VAL 26 OK 43 82 - 52 - 216=12, ~8215=8...(11) H ALA 14 - HB VAL 49 OK 24 100 - 24 - 5599/2.1=6, 5600/2.1=4...(7) H ALA 14 - HB3 PRO 37 OK 23 49 - 48 - ~6307=8, 802/3.0=5...(19) H ASN 108 - HB VAL 49 OK 16 99 - 16 - 5599/2.1=4, 5597/3.0=4...(4) H ALA 14 - HB VAL 26 poor 10 82 - 12 - 5439/3.0=3, 3.6/2244=3 H VAL 50 - HB3 PRO 37 poor 9 50 - 17 - 216/2.3=3, 3.6/3033=3...(9) H ASN 108 - HB VAL 26 lone 6 79 - 7 - 4.6/8422=2 H ASN 108 - HB3 PRO 37 lone 3 48 - 5 - 1317/2.3=1 Peak 5599 from cnoeabs.peaks (8.85, 0.88, 21.00 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 50 + QG1 VAL 49 OK 99 100 - 99 - 4.3=98, 3.0/8279=22...(11) H ALA 14 - QG1 VAL 49 OK 26 100 - 26 - 6299/2.1=5, 5597/3.2=5...(9) H ASN 108 - QG1 VAL 49 OK 19 99 - 19 - 5597/3.2=4, 1458/4.0=3...(8) Peak 5600 from cnoeabs.peaks (8.85, 0.92, 23.68 ppm; 4.54 A): 1 out of 9 assignments used, quality = 1.00: * H VAL 50 + QG2 VAL 49 OK 100 100 - 100 - 4.3=100 H ALA 14 - QG2 VAL 49 OK 38 100 - 37 - 5599/2.1=7, 6299=7...(10) H VAL 50 - QD1 LEU 117 OK 33 80 - 42 - 997/2.1=9, 218=7...(11) H VAL 50 - QD1 LEU 55 OK 33 90 - 37 - ~7015=7, 995/2.1=5...(12) H ASN 108 - QG2 VAL 49 OK 20 99 - 20 - 5599/2.1=5, 5597/3.2=4...(5) H ALA 14 - QD1 LEU 117 OK 15 79 - 19 - 6299=3, 2.9/6304=3...(7) H ALA 14 - QD1 LEU 55 lone 9 90 - 9 - 6299=2, 4.5/6289=1, 3.0/6297=1 H ASN 108 - QD1 LEU 117 lone 6 77 - 8 - 538/3.8=2, 4.5/4808=2 H ASN 108 - QD1 LEU 55 lone 3 87 - 3 - Peak 5601 from cnoeabs.peaks (8.42, 3.39, 66.83 ppm; 4.94 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 51 + HA VAL 50 OK 100 100 - 100 - 3.6=100 H ILE 63 - HA VAL 50 OK 33 92 - 36 - 4.0/7112=7, 5.0/7154=7...(9) H THR 95 - HA VAL 50 OK 16 76 - 21 - 5604/3.2=3, 4.6/6044=3...(8) H GLU 82 - HA VAL 50 OK 14 73 - 19 - 5604/3.2=3, 5602/3.0=3...(7) H GLN 16 - HA VAL 50 lone 4 65 - 6 - 1459/3.0=1 Peak 5602 from cnoeabs.peaks (8.42, 1.88, 30.83 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 51 + HB VAL 50 OK 100 100 - 100 - 4.5=100 H ILE 63 - HB VAL 50 OK 22 92 - 24 - 5604/2.1=6, 5601/3.0=6...(6) H GLU 82 - HB VAL 50 OK 13 73 - 18 - 5604/2.1=3, 5603/2.1=3...(6) H THR 95 - HB VAL 50 OK 13 76 - 17 - 5604/2.1=4, 5601/3.0=3...(6) H GLN 16 - HB VAL 50 lone 3 65 - 4 - Peak 5603 from cnoeabs.peaks (8.42, 0.57, 21.11 ppm; 4.09 A): 2 out of 10 assignments used, quality = 0.96: * H LEU 51 + QG1 VAL 50 OK 93 100 - 93 - 4.3=86, 219/4.0=17...(7) H LEU 51 + QD2 LEU 45 OK 39 78 - 49 - 222=12, 2.9/8426=8...(11) H ILE 63 - QG1 VAL 50 OK 18 92 - 19 - 5604/2.1=5, 5601/3.2=4...(4) H GLU 82 - QG1 VAL 50 OK 13 73 - 18 - 4.6/7432=3, 5604/2.1=3...(7) H THR 95 - QG1 VAL 50 OK 11 76 - 14 - 5604/2.1=3, 5602/2.1=3...(6) H ILE 63 - QD2 LEU 45 lone 3 66 - 5 - H GLU 82 - QD2 LEU 45 lone 3 50 - 6 - 4.6/7432=1 H GLN 16 - QG1 VAL 50 lone 3 65 - 4 - H THR 95 - QD2 LEU 45 lone 2 52 - 5 - H GLN 16 - QD2 LEU 45 lone 1 44 - 2 - Peak 5604 from cnoeabs.peaks (8.42, 1.13, 23.11 ppm; 4.56 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 51 + QG2 VAL 50 OK 100 100 - 100 - 4.3=100 H ILE 63 - QG2 VAL 50 OK 25 92 - 27 - 5601/3.2=5, 5602/2.1=5...(8) H THR 95 - QG2 VAL 50 OK 15 76 - 20 - 3.0/6924=4, 5602/2.1=3...(7) H GLU 82 - QG2 VAL 50 OK 14 73 - 19 - 2.9/6924=4, 5602/2.1=3...(6) H GLN 16 - QG2 VAL 50 lone 3 65 - 5 - Peak 5605 from cnoeabs.peaks (7.57, 3.56, 57.49 ppm; 5.19 A): 1 out of 6 assignments used, quality = 1.00: * H CYS 52 + HA LEU 51 OK 100 100 - 100 - 3.6=100 H ARG 57 - HA LEU 51 OK 29 78 - 37 - 5610/4.0=6, 7033/8424=5...(11) H CYS 76 - HA LEU 51 OK 27 99 - 27 - 5606/3.0=4, 1460/2.9=4...(12) H LYS 119 - HA LEU 51 OK 27 71 - 38 - 604=5, 4.6/5185=5...(13) H SER 113 - HA LEU 51 OK 26 99 - 27 - 5609/4.0=5, 5606/3.0=4...(7) HE3 TRP 20 - HA LEU 51 OK 23 78 - 29 - 4.3/4657=7, 5.0/4648=5...(11) Peak 5606 from cnoeabs.peaks (7.57, 1.42, 39.13 ppm; 4.80 A): 1 out of 6 assignments used, quality = 1.00: * H CYS 52 + HB2 LEU 51 OK 100 100 - 100 - 4.6=100 H SER 113 - HB2 LEU 51 OK 22 99 - 22 - 5609/3.1=5, 5607/1.8=4...(5) H ARG 57 - HB2 LEU 51 OK 21 78 - 27 - 5610/3.1=6, 5607/1.8=4...(8) H CYS 76 - HB2 LEU 51 OK 20 99 - 20 - 5607/1.8=4, 5609/3.1=4...(6) H LYS 119 - HB2 LEU 51 OK 19 71 - 26 - 3.6/3075=5, 604/3.0=4...(7) HE3 TRP 20 - HB2 LEU 51 OK 11 78 - 14 - 5605/3.0=3, 5607/1.8=2...(8) Peak 5607 from cnoeabs.peaks (7.57, 0.45, 39.13 ppm; 5.00 A): 1 out of 6 assignments used, quality = 1.00: * H CYS 52 + HB3 LEU 51 OK 100 100 - 100 - 4.6=100 H ARG 57 - HB3 LEU 51 OK 22 78 - 28 - 5610/3.1=7, 5606/1.8=5...(7) H SER 113 - HB3 LEU 51 OK 21 99 - 21 - 5609/3.1=6, 5606/1.8=5...(5) H CYS 76 - HB3 LEU 51 OK 20 99 - 20 - 5606/1.8=4, 5609/3.1=4...(6) H LYS 119 - HB3 LEU 51 OK 18 71 - 25 - 3.6/3082=5, 604/3.0=4...(7) HE3 TRP 20 - HB3 LEU 51 OK 11 78 - 14 - 5605/3.0=3, 5606/1.8=2...(6) Peak 5609 from cnoeabs.peaks (7.57, 0.16, 21.80 ppm; 4.83 A): 6 out of 6 assignments used, quality = 0.95: * H CYS 52 + QD2 LEU 51 OK 82 100 - 82 - 227/3.1=34, 3.6/3072=23...(8) H SER 113 + QD2 LEU 51 OK 32 99 - 32 - 4.0/7938=5, 5610/2.1=5...(10) H ARG 57 + QD2 LEU 51 OK 24 78 - 30 - 5610/2.1=7, 5606/3.1=4...(7) H LYS 119 + QD2 LEU 51 OK 23 71 - 32 - 3.6/3096=6, 5610/2.1=4...(10) H CYS 76 + QD2 LEU 51 OK 23 99 - 23 - 5610/2.1=4, 5606/3.1=3...(7) HE3 TRP 20 + QD2 LEU 51 OK 11 78 - 14 - 5605/4.0=2, 5610/2.1=2...(7) Peak 5610 from cnoeabs.peaks (7.57, 0.62, 26.19 ppm; 4.91 A): 5 out of 6 assignments used, quality = 0.94: * H CYS 52 + QD1 LEU 51 OK 79 100 - 79 - 227/3.1=35, 226/3.1=19...(10) H ARG 57 + QD1 LEU 51 OK 38 78 - 48 - 7032=8, 3.0/7035=5...(19) H SER 113 + QD1 LEU 51 OK 25 99 - 25 - 5609/2.1=6, 5606/3.1=4...(7) H CYS 76 + QD1 LEU 51 OK 22 99 - 22 - 5609/2.1=5, 5606/3.1=3...(6) H LYS 119 + QD1 LEU 51 OK 20 71 - 28 - 3.6/3103=5, 5609/2.1=5...(9) HE3 TRP 20 - QD1 LEU 51 poor 10 78 - 13 - 5605/4.0=3, 5609/2.1=2...(5) Peak 5611 from cnoeabs.peaks (8.54, 4.22, 65.82 ppm; 4.81 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 53 + HA CYS 52 OK 100 100 - 100 - 3.6=100 H LEU 41 - HA CYS 52 OK 37 100 - 37 - 1461/3.0=6, 4.5/6943=6...(9) H GLU 94 - HA CYS 52 OK 30 100 - 30 - 4.6/6943=10, 1461/3.0=5...(5) H GLY 86 - HA CYS 52 OK 20 90 - 22 - 1461/3.0=5, 5612/3.0=3...(5) H GLU 38 - HA CYS 52 OK 10 76 - 14 - 4.6/6058=2, 1461/3.0=2...(4) Peak 5612 from cnoeabs.peaks (8.54, 2.45, 27.40 ppm; 4.57 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 53 + HB2 CYS 52 OK 100 100 - 100 - 4.4=100 H LEU 41 - HB2 CYS 52 OK 24 100 - 24 - 5613/1.8=6, 5611/3.0=6...(8) H GLU 94 - HB2 CYS 52 OK 20 100 - 20 - 5611/3.0=5, 5613/1.8=4...(4) H GLY 86 - HB2 CYS 52 OK 16 90 - 18 - 1461/4.0=4, 5613/1.8=3...(5) H GLU 38 - HB2 CYS 52 lone 7 76 - 9 - 5613/1.8=2, 5611/3.0=2 Peak 5613 from cnoeabs.peaks (8.54, 3.12, 27.40 ppm; 4.55 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 53 + HB3 CYS 52 OK 100 100 - 100 - 4.4=100 H LEU 41 - HB3 CYS 52 OK 27 100 - 27 - 5612/1.8=6, 5611/3.0=6...(8) H GLU 94 - HB3 CYS 52 OK 19 100 - 19 - 5612/1.8=5, 5611/3.0=5...(4) H GLY 86 - HB3 CYS 52 OK 14 90 - 16 - 1461/4.0=4, 5612/1.8=4...(4) H GLU 38 - HB3 CYS 52 lone 7 76 - 10 - 5611/3.0=2, 5612/1.8=2 Peak 5614 from cnoeabs.peaks (8.94, 3.89, 59.20 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 54 + HA ARG 53 OK 100 100 - 100 - 3.6=100 H PHE 107 + HA ARG 53 OK 46 96 - 48 - 1462/3.0=13, 5615/3.0=11...(10) Peak 5615 from cnoeabs.peaks (8.94, 1.74, 29.79 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 54 + HB2 ARG 53 OK 100 100 - 100 - 4.4=100 H PHE 107 + HB2 ARG 53 OK 48 96 - 51 - 5618/3.0=10, 5616/1.8=10...(13) Peak 5616 from cnoeabs.peaks (8.94, 2.02, 29.79 ppm; 4.27 A): 1 out of 6 assignments used, quality = 0.97: * H LEU 54 + HB3 ARG 53 OK 97 100 - 97 - 4.4=92, 1462/4.0=21...(10) H PHE 107 - HB3 ARG 53 OK 45 96 - 47 - 5615/1.8=12, 5618/3.0=10...(11) H LEU 54 - HB2 GLU 56 OK 30 65 - 47 - 1634/3.7=16, 238=8...(11) H LEU 54 - HB2 GLU 94 poor 6 56 - 11 - 235/4.0=3, 3.6/3124=2...(5) H PHE 107 - HB2 GLU 56 lone 5 58 - 9 - 1634/3.7=4 H PHE 107 - HB2 GLU 94 lone 1 50 - 2 - Peak 5617 from cnoeabs.peaks (8.94, 1.61, 27.58 ppm; 5.17 A): 4 out of 4 assignments used, quality = 0.93: * H LEU 54 + HG2 ARG 53 OK 76 100 - 76 - 1462/5.0=23, 5618/1.8=22...(12) H PHE 107 + HG2 ARG 53 OK 56 96 - 58 - 5618/1.8=16, 5615/3.0=13...(12) H LEU 54 + HG LEU 101 OK 21 97 - 22 - 239=3, 4.4/3148=3...(6) H PHE 107 + HG LEU 101 OK 20 90 - 22 - ~7701=8, 4.0/3152=4...(4) Peak 5618 from cnoeabs.peaks (8.94, 1.83, 27.58 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.89: * H LEU 54 + HG3 ARG 53 OK 73 100 - 73 - 1462/5.0=21, 5616/3.0=20...(11) H PHE 107 + HG3 ARG 53 OK 52 96 - 55 - 5615/3.0=12, 5617/1.8=12...(15) H LEU 54 + HB3 ARG 92 OK 14 81 - 18 - 4.4/3134=3, 4.4/3156=3...(5) H PHE 107 - HB3 ARG 92 lone 4 73 - 5 - Peak 5621 from cnoeabs.peaks (8.12, 3.75, 57.78 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 55 + HA LEU 54 OK 100 100 - 100 - 3.6=100 HD22 ASN 79 - HA LEU 54 OK 34 93 - 37 - 1463/3.0=7, 5622/3.0=6...(9) H GLY 39 - HA LEU 54 OK 23 71 - 32 - 1463/3.0=4, 5625/4.0=4...(11) H THR 33 - HA LEU 54 OK 21 83 - 25 - 1463/3.0=4, 5622/3.0=4...(7) Peak 5622 from cnoeabs.peaks (8.12, 2.33, 42.10 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 55 + HB2 LEU 54 OK 99 100 - 99 - 4.6=92, 246/1.8=30...(16) HD22 ASN 79 - HB2 LEU 54 OK 33 93 - 36 - 5623/1.8=7, 5625/3.1=6...(7) H THR 33 - HB2 LEU 54 OK 20 83 - 24 - 5623/1.8=5, 5625/3.1=4...(7) H GLY 39 - HB2 LEU 54 OK 19 71 - 27 - 3.6/3185=5, 5625/3.1=4...(7) Peak 5623 from cnoeabs.peaks (8.12, 1.15, 42.10 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 55 + HB3 LEU 54 OK 100 100 - 100 - 4.6=100 HD22 ASN 79 - HB3 LEU 54 OK 34 93 - 36 - 5622/1.8=8, 5625/3.1=6...(6) H THR 33 - HB3 LEU 54 OK 21 83 - 25 - 5622/1.8=5, 5625/3.1=4...(7) H GLY 39 - HB3 LEU 54 OK 20 71 - 28 - 3.6/3192=5, 5622/1.8=5...(7) Peak 5624 from cnoeabs.peaks (8.12, 1.28, 26.77 ppm; 5.18 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 55 + HG LEU 54 OK 90 100 - 90 - 248/2.1=32, 246/3.0=29...(11) HD22 ASN 79 + HG LEU 54 OK 37 93 - 40 - 5625/2.1=9, 5622/3.0=8...(7) H THR 33 - HG LEU 54 OK 26 83 - 31 - 5625/2.1=6, 5622/3.0=5...(7) H GLY 39 - HG LEU 54 OK 22 71 - 30 - 5625/2.1=6, 3.6/3199=5...(8) Peak 5625 from cnoeabs.peaks (8.12, 0.21, 22.86 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 55 + QD1 LEU 54 OK 92 100 - 92 - 248=34, 3.6/3182=25...(16) HD22 ASN 79 + QD1 LEU 54 OK 34 93 - 36 - 5624/2.1=6, 5622/3.1=6...(9) H GLY 39 - QD1 LEU 54 OK 24 71 - 33 - 3.6/3206=5, 4.4/8503=4...(9) H THR 33 - QD1 LEU 54 OK 22 83 - 26 - 5624/2.1=4, 5622/3.1=4...(6) Peak 5626 from cnoeabs.peaks (8.12, 0.71, 26.03 ppm; 4.50 A): 3 out of 12 assignments used, quality = 0.95: * H LEU 55 + QD2 LEU 54 OK 86 100 - 86 - 248/2.1=27, 246/3.1=23...(13) H LEU 55 + QD1 LEU 114 OK 39 89 - 44 - 249=8, 3.0/7007=6...(15) HD22 ASN 79 + QD2 LEU 54 OK 37 93 - 39 - 5625/2.1=7, 5624/2.1=6...(7) H LEU 55 - QD1 LEU 77 OK 24 57 - 43 - 249=7, 1027/3.1=6...(13) H GLY 39 - QD2 LEU 54 OK 20 71 - 29 - 5625/2.1=5, 5624/2.1=4...(9) H THR 33 - QD2 LEU 54 OK 20 83 - 24 - 5625/2.1=5, 5624/2.1=4...(6) H THR 33 - QD1 LEU 77 poor 8 40 - 20 - 132/2.1=4, 132/3.1=3...(7) HD22 ASN 79 - QD1 LEU 114 lone 7 78 - 9 - HD22 ASN 79 - QD1 LEU 77 poor 6 48 - 13 - ~7348=2, 7384=2, 3233/3.1=1 H GLY 39 - QD1 LEU 114 poor 6 57 - 10 - H GLY 39 - QD1 LEU 77 poor 4 33 - 11 - 1448/4.7=2, 7384=1 H THR 33 - QD1 LEU 114 lone 2 68 - 4 - Peak 5627 from cnoeabs.peaks (7.62, 4.06, 57.73 ppm; 4.38 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 56 + HA LEU 55 OK 100 100 - 100 - 3.6=100 H LYS 119 - HA LEU 55 OK 27 71 - 38 - 4.6/6999=6, 1464/3.0=5...(13) H ARG 57 - HA LEU 55 OK 24 63 - 39 - 1638/3.0=9, 4.6/8639=8...(8) HD21 ASN 12 - HA LEU 55 OK 11 100 - 10 - 1464/3.0=2, 5628/3.0=2...(5) H ALA 122 - HA LEU 55 poor 9 57 - 16 - 4.2/7011=2, 1803=2...(7) Peak 5628 from cnoeabs.peaks (7.62, 2.00, 41.36 ppm; 4.32 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 56 + HB2 LEU 55 OK 100 100 - 100 - 4.2=100 H ARG 57 - HB2 LEU 55 OK 18 63 - 29 - 4.6/252=8, 1638/4.0=7...(6) H LYS 119 - HB2 LEU 55 OK 18 71 - 25 - 5627/3.0=5, 1464/4.0=4...(9) HD21 ASN 12 - HB2 LEU 55 lone 10 100 - 9 - 5629/1.8=2, 5627/3.0=2...(5) H GLU 56 - HB2 LEU 41 poor 9 64 - 14 - 3.6/3221=2, 252=2...(7) H ALA 122 - HB2 LEU 55 lone 3 57 - 6 - 5627/3.0=2 H ARG 57 - HB2 LEU 41 lone 2 33 - 6 - H LYS 119 - HB2 LEU 41 lone 2 38 - 5 - HD21 ASN 12 - HB2 LEU 41 lone 1 63 - 2 - H ALA 122 - HB2 LEU 41 lone 0 30 - 1 - Peak 5629 from cnoeabs.peaks (7.62, 1.72, 41.36 ppm; 4.61 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 56 + HB3 LEU 55 OK 100 100 - 100 - 4.2=100 H GLU 56 - HB3 LEU 77 OK 30 94 - 32 - 3.6/3222=7, 253=6...(7) H LYS 119 - HB3 LEU 55 OK 20 71 - 28 - 5627/3.0=5, 5628/1.8=5...(8) H ARG 57 - HB3 LEU 55 OK 17 63 - 27 - 1638/4.0=8, 1637/3.0=6...(5) HD21 ASN 12 - HB3 LEU 55 OK 11 100 - 11 - 5628/1.8=3, 5627/3.0=2...(5) H LYS 119 - HB3 LEU 77 poor 7 61 - 11 - 3.0/4005=1, ~3998=1...(5) H ALA 122 - HB3 LEU 55 lone 4 57 - 7 - 5627/3.0=2 H ARG 57 - HB3 LEU 77 lone 4 54 - 7 - 4.6/253=3 H ALA 122 - HB3 LEU 77 lone 3 49 - 6 - ~7343=1, 1805/3.0=1 HD21 ASN 12 - HB3 LEU 77 lone 2 92 - 3 - Peak 5632 from cnoeabs.peaks (7.62, 0.85, 26.09 ppm; 4.97 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 56 + QD2 LEU 55 OK 100 100 - 100 - 4.8=100 H LYS 119 - QD2 LEU 55 OK 27 71 - 39 - 5627/4.0=5, 7018/2.1=5...(13) H ARG 57 - QD2 LEU 55 OK 23 63 - 37 - 1638/4.6=9, 7018/2.1=6...(7) H GLU 56 - QD1 LEU 59 OK 23 59 - 39 - 7081/4.6=12, 256=7...(11) H LYS 119 - QD1 LEU 59 OK 15 35 - 43 - 7081/4.6=9, ~6272=6...(14) HD21 ASN 12 - QD2 LEU 55 OK 12 100 - 12 - 5628/3.1=2, 5627/4.0=2...(5) H ARG 57 - QD1 LEU 59 poor 5 30 - 18 - 7044/4.6=5, 4.6/256=4...(4) H ALA 122 - QD2 LEU 55 lone 5 57 - 9 - 5627/4.0=2 H ALA 122 - QD1 LEU 59 poor 5 27 - 17 - 7081/4.6=6, 1402/2.1=1 HD21 ASN 12 - QD1 LEU 59 lone 2 58 - 4 - 7081/4.6=2 Peak 5633 from cnoeabs.peaks (7.59, 4.17, 57.27 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 57 + HA GLU 56 OK 100 100 - 100 - 3.6=100 H GLU 56 + HA GLU 56 OK 63 63 - 100 - 2.9=100 H LYS 119 - HA GLU 56 OK 17 100 - 17 - 4.6/8300=4, 5636/4.0=2...(7) H SER 113 - HA GLU 56 OK 13 92 - 14 - 1350=2, 3.0/7024=2...(7) HD21 ASN 12 - HA GLU 56 lone 7 76 - 9 - 5636/4.0=2, 5637/4.0=2 H CYS 52 - HA GLU 56 lone 7 78 - 8 - 5637/4.0=1, 4.6/8302=1 Peak 5634 from cnoeabs.peaks (7.59, 2.04, 29.53 ppm; 3.74 A): 3 out of 24 assignments used, quality = 0.92: * H ARG 57 + HB2 GLU 56 OK 71 100 - 71 - 4.6=52, 5635/1.8=11...(8) H GLU 56 + HB2 GLU 56 OK 63 63 - 100 - 3.7=100 H ARG 57 + HB3 ARG 81 OK 28 94 - 30 - 259=6, 1044/3.5=4...(14) H ARG 57 - HB3 ARG 53 OK 19 65 - 30 - 6070/3.0=8, 259=5...(10) H CYS 52 - HB3 ARG 53 OK 17 44 - 39 - 1461/4.0=11, 1617/4.4=8...(11) H GLU 56 - HB3 ARG 53 OK 12 33 - 36 - 1634/4.4=6, 6065/3.0=6...(14) H GLU 56 - HB3 ARG 81 OK 12 54 - 22 - ~6114=4, 2.9/3263=3...(10) H LYS 119 - HB2 GLU 56 OK 12 100 - 12 - 5633/3.0=2, 5636/3.0=2...(4) H LYS 119 - HB3 ARG 81 OK 11 93 - 12 - 1788/3.0=4, 1383/1.8=2 H ARG 57 - HB3 GLU 38 OK 10 43 - 24 - 1639/3.0=5, 259=4...(6) H SER 113 - HB2 GLU 56 poor 10 92 - 10 - 5633/3.0=2, 5635/1.8=2...(4) HD21 ASN 12 - HB2 GLU 56 poor 9 76 - 12 - ~6286=4, 5636/3.0=2...(5) H CYS 52 - HB2 GLU 56 poor 8 78 - 11 - 4.6/1012=2, 5637/3.0=2 H CYS 52 - HB3 ARG 81 lone 4 68 - 6 - 224/4.3=1 H SER 113 - HB3 ARG 53 lone 4 54 - 7 - 6070/3.0=2, 231/4.0=2 H LYS 119 - HB3 ARG 53 lone 4 64 - 6 - 6070/3.0=1, 1627/4.4=1 H GLU 56 - HB3 GLU 38 poor 2 21 - 11 - 4.6/259=1, 1033=1...(4) H SER 113 - HB3 ARG 81 lone 2 82 - 2 - H LYS 119 - HB3 GLU 38 lone 1 42 - 3 - H SER 113 - HB3 GLU 38 lone 1 35 - 4 - HD21 ASN 12 - HB3 GLU 38 lone 1 27 - 3 - ~6286=1 HD21 ASN 12 - HB3 ARG 53 lone 1 42 - 2 - H CYS 52 - HB3 GLU 38 lone 1 28 - 3 - HD21 ASN 12 - HB3 ARG 81 lone 1 66 - 1 - Peak 5635 from cnoeabs.peaks (7.59, 1.79, 29.53 ppm; 3.45 A): 5 out of 12 assignments used, quality = 0.92: * H ARG 57 + HB3 GLU 56 OK 62 100 - 62 - 4.6=41, 259/1.8=10...(8) H GLU 56 + HB3 GLU 56 OK 55 63 - 87 - 3.7=82, 1033/1.8=8...(6) H ARG 57 + HB3 ARG 57 OK 40 45 - 90 - 3.7=78, 3299/1.8=14...(14) H LYS 119 + HB3 ARG 57 OK 12 44 - 28 - 263/4.2=6, 3299/1.8=5...(7) H LYS 119 + HB3 GLU 56 OK 10 100 - 10 - 5633/3.0=2, 5636/3.0=2...(4) H SER 113 - HB3 GLU 56 lone 9 92 - 10 - 5633/3.0=1, 5637/3.0=1...(4) HD21 ASN 12 - HB3 GLU 56 poor 8 76 - 11 - ~6286=3, 5636/3.0=2...(4) H SER 113 - HB3 ARG 57 poor 6 37 - 16 - 3299/1.8=2, 3323/3.0=2...(8) H CYS 52 - HB3 ARG 57 poor 5 29 - 18 - 3299/1.8=2, 1008/3.5=2...(8) H GLU 56 - HB3 ARG 57 poor 5 22 - 23 - 4.6/260=5, 1034=2...(10) H CYS 52 - HB3 GLU 56 lone 5 78 - 6 - 5637/3.0=1 HD21 ASN 12 - HB3 ARG 57 lone 2 28 - 8 - 3299/1.8=1 Peak 5636 from cnoeabs.peaks (7.59, 2.25, 35.00 ppm; 4.55 A): 5 out of 6 assignments used, quality = 0.87: H GLU 56 + HG2 GLU 56 OK 56 63 - 89 - 4.9=79, 5637/1.8=12...(9) * H ARG 57 + HG2 GLU 56 OK 54 100 - 54 - 5637/1.8=13, 259/3.0=12...(11) HD21 ASN 12 + HG2 GLU 56 OK 17 76 - 22 - 1.7/6286=10, 3.5/8176=5...(6) H LYS 119 + HG2 GLU 56 OK 15 100 - 15 - 5637/1.8=3, 5633/4.0=3...(5) H SER 113 + HG2 GLU 56 OK 12 92 - 12 - 5637/1.8=3, 5633/4.0=2...(4) H CYS 52 - HG2 GLU 56 poor 9 78 - 11 - 5637/1.8=3, 7124/7025=2...(4) Peak 5637 from cnoeabs.peaks (7.59, 2.31, 35.00 ppm; 4.68 A): 6 out of 6 assignments used, quality = 0.92: * H ARG 57 + HG3 GLU 56 OK 63 100 - 63 - 5636/1.8=14, 3.6/3266=13...(11) H GLU 56 + HG3 GLU 56 OK 59 63 - 93 - 4.9=86, 2.9/3266=15...(9) H LYS 119 + HG3 GLU 56 OK 17 100 - 17 - 5636/1.8=4, 5633/4.0=3...(5) HD21 ASN 12 + HG3 GLU 56 OK 16 76 - 21 - ~6286=9, 5636/1.8=4...(6) H CYS 52 + HG3 GLU 56 OK 14 78 - 18 - 5636/1.8=2, 7124/7026=2...(8) H SER 113 + HG3 GLU 56 OK 14 92 - 15 - 5636/1.8=3, 5633/4.0=2...(6) Peak 5638 from cnoeabs.peaks (7.72, 4.11, 56.72 ppm; 3.99 A): 1 out of 21 assignments used, quality = 1.00: * H LEU 58 + HA ARG 57 OK 100 100 - 100 - 3.6=100 H ASN 118 - HA ARG 57 OK 20 93 - 21 - 1466/3.0=8, 4.6/3291=3...(6) H LEU 111 - HA ARG 57 OK 12 76 - 16 - 1466/3.0=3, ~6218=2...(5) H LEU 126 - HA ARG 57 OK 11 100 - 11 - 1466/3.0=2, 5640/3.0=2...(4) H SER 90 - HA ARG 57 lone 10 100 - 9 - 1466/3.0=3, 5640/3.0=2...(4) H LEU 111 - HA ALA 98 poor 7 41 - 17 - 1750=2, 3.8/6200=2...(7) H LEU 111 - HA ASN 108 poor 6 26 - 25 - 1749/3.6=9, 1750=3...(9) HE21 GLN 103 - HA ARG 57 lone 4 95 - 4 - H LEU 58 - HA ALA 98 lone 4 64 - 6 - 264=1 H LEU 91 - HA ARG 57 lone 4 73 - 5 - 1466/3.0=1 H LEU 58 - HA ASN 108 lone 3 42 - 8 - 1743/3.6=4, 264=1 H SER 90 - HA ALA 98 lone 2 64 - 3 - 438/2.1=1 HE21 GLN 103 - HA ASN 108 lone 2 36 - 5 - 1743/3.6=4 H LEU 91 - HA ALA 98 lone 2 40 - 4 - 1218/2.1=1 HE21 GLN 103 - HA ALA 98 lone 1 56 - 3 - H ASN 118 - HA ALA 98 lone 1 55 - 2 - H LEU 126 - HA ALA 98 lone 1 64 - 2 - H SER 90 - HA ASN 108 lone 1 42 - 2 - H LEU 126 - HA ASN 108 lone 1 42 - 1 - H ASN 118 - HA ASN 108 lone 1 36 - 1 - H LEU 91 - HA ASN 108 lone 0 25 - 1 - Peak 5639 from cnoeabs.peaks (7.72, 2.07, 29.15 ppm; 4.22 A): 1 out of 14 assignments used, quality = 1.00: * H LEU 58 + HB2 ARG 57 OK 100 100 - 100 - 4.2=100 H LEU 58 - HB3 GLU 38 OK 23 96 - 24 - 7069/3.0=5, 265=4...(6) H ASN 118 - HB2 ARG 57 OK 20 93 - 22 - 1466/3.7=7, 5640/1.8=4...(5) H LEU 126 - HB2 ARG 57 OK 15 100 - 14 - 5640/1.8=3, 5641/3.0=2...(4) H LEU 111 - HB2 ARG 57 OK 13 76 - 17 - 1466/3.7=3, 2.9/6220=3...(8) H SER 90 - HB2 ARG 57 OK 12 100 - 12 - 5640/1.8=2, 1466/3.7=2...(4) H LEU 111 - HB3 GLU 38 lone 7 68 - 10 - 4.7/7909=3, 4.7/7913=2...(4) H ASN 118 - HB3 GLU 38 lone 5 86 - 6 - 599/3.0=1, 599/3.0=1 H LEU 91 - HB2 ARG 57 lone 5 73 - 7 - 5640/1.8=1, 1466/3.7=1 HE21 GLN 103 - HB2 ARG 57 lone 5 95 - 5 - 5640/1.8=1 H SER 90 - HB3 GLU 38 lone 5 96 - 5 - 1719/3.0=2 H LEU 91 - HB3 GLU 38 lone 2 66 - 4 - H LEU 126 - HB3 GLU 38 lone 2 95 - 2 - HE21 GLN 103 - HB3 GLU 38 lone 1 87 - 1 - Peak 5640 from cnoeabs.peaks (7.72, 1.81, 29.15 ppm; 4.31 A): 1 out of 14 assignments used, quality = 1.00: * H LEU 58 + HB3 ARG 57 OK 100 100 - 100 - 4.2=100 H ASN 118 - HB3 ARG 57 OK 20 93 - 21 - 1466/3.7=8, 5639/1.8=4...(5) H LEU 126 - HB3 ARG 57 OK 15 100 - 15 - 5639/1.8=3, 5641/3.0=2...(5) H SER 90 - HB3 ARG 57 OK 13 100 - 12 - 1466/3.7=2, 5639/1.8=2...(5) H LEU 58 - HB3 GLU 56 OK 12 45 - 27 - 1466/4.6=13, 266=4...(5) H LEU 111 - HB3 ARG 57 OK 10 76 - 13 - 1466/3.7=3, 5639/1.8=2...(5) H LEU 91 - HB3 ARG 57 lone 7 73 - 9 - 4.6/1225=2, 1466/3.7=1 H ASN 118 - HB3 GLU 56 poor 6 38 - 17 - 1466/4.6=6, 1521/3.7=3...(4) HE21 GLN 103 - HB3 ARG 57 lone 5 95 - 5 - H SER 90 - HB3 GLU 56 lone 2 45 - 5 - 1466/4.6=2 H LEU 126 - HB3 GLU 56 lone 2 45 - 3 - 1466/4.6=2 H LEU 91 - HB3 GLU 56 lone 1 27 - 6 - 4.6/1225=2 H LEU 111 - HB3 GLU 56 lone 1 28 - 5 - 1466/4.6=3 HE21 GLN 103 - HB3 GLU 56 lone 1 39 - 2 - Peak 5641 from cnoeabs.peaks (7.72, 1.58, 27.21 ppm; 3.50 A): 4 out of 21 assignments used, quality = 0.79: H LEU 126 + HG LEU 126 OK 57 78 - 74 - 4.9=35, 1425/2.1=12...(12) * H LEU 58 + HG2 ARG 57 OK 38 100 - 38 - 266/3.0=12, 265/3.0=9...(7) H LEU 58 + HG LEU 126 OK 12 78 - 15 - 5417/2.1=3, 267=3...(6) H ASN 118 + HG2 ARG 57 OK 11 93 - 12 - 1466/5.1=3, 5640/3.0=2...(5) H LEU 126 - HG2 ARG 57 lone 10 100 - 9 - 5640/3.0=2, 5639/3.0=1...(4) H LEU 126 - HG12 ILE 124 poor 7 55 - 12 - 8128/3.0=5, 4.6/641=3 H SER 90 - HG2 ARG 57 lone 6 100 - 6 - 5640/3.0=1, 5639/3.0=1 H LEU 111 - HG2 ARG 57 lone 5 76 - 7 - 1466/5.1=1, 5639/3.0=1...(4) H ASN 118 - HG LEU 126 lone 5 68 - 7 - 5410/2.1=2, 5417/2.1=1 H SER 90 - HG LEU 126 lone 3 78 - 4 - HE21 GLN 103 - HG2 ARG 57 lone 3 95 - 3 - H LEU 91 - HG2 ARG 57 lone 3 73 - 4 - H LEU 111 - HG12 ILE 124 lone 2 35 - 6 - 1340/1.8=1, ~8418=1 H LEU 58 - HG12 ILE 124 lone 2 55 - 4 - H LEU 91 - HG LEU 126 lone 2 50 - 3 - HE21 GLN 103 - HG LEU 126 lone 1 69 - 2 - H LEU 111 - HG LEU 126 lone 1 52 - 2 - HE21 GLN 103 - HG12 ILE 124 lone 1 48 - 2 - H ASN 118 - HG12 ILE 124 lone 1 47 - 2 - H SER 90 - HG12 ILE 124 lone 1 55 - 1 - H LEU 91 - HG12 ILE 124 lone 0 34 - 1 - Peak 5645 from cnoeabs.peaks (8.67, 4.25, 56.62 ppm; 4.40 A): 1 out of 12 assignments used, quality = 1.00: * H LEU 59 + HA LEU 58 OK 100 100 - 100 - 3.6=100 H VAL 120 - HA LEU 58 OK 42 90 - 46 - 1794/3.0=11, 5646/3.0=8...(11) H LEU 117 - HA LEU 58 OK 40 99 - 41 - 1467/3.0=10, 5646/3.0=7...(10) H LEU 59 - HA GLU 64 OK 16 82 - 20 - 272=4, 4.6/1046=3...(8) H ASN 12 - HA LEU 58 OK 15 100 - 14 - 1467/3.0=3, 5646/3.0=3...(6) H LEU 59 - HA GLU 94 OK 10 69 - 15 - 272=3, 4.6/3355=3...(6) H LEU 117 - HA GLU 64 lone 4 80 - 5 - H LEU 117 - HA GLU 94 lone 4 67 - 6 - H VAL 120 - HA GLU 64 lone 3 68 - 5 - H VAL 120 - HA GLU 94 lone 3 56 - 5 - H ASN 12 - HA GLU 64 lone 2 81 - 2 - H ASN 12 - HA GLU 94 lone 2 68 - 2 - Peak 5646 from cnoeabs.peaks (8.67, 1.87, 43.52 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.97: * H LEU 59 + HB2 LEU 58 OK 90 100 - 90 - 4.6=77, 1467/3.9=14...(10) H VAL 120 + HB2 LEU 58 OK 52 90 - 57 - 1794/3.9=9, 611=8...(18) H LEU 117 + HB2 LEU 58 OK 42 99 - 42 - 1467/3.9=8, 5650/3.1=7...(9) H ASN 12 - HB2 LEU 58 OK 15 100 - 15 - 12/3.0=3, 5647/1.8=2...(6) Peak 5647 from cnoeabs.peaks (8.67, 1.49, 43.52 ppm; 4.34 A): 2 out of 12 assignments used, quality = 0.96: * H LEU 59 + HB3 LEU 58 OK 92 100 - 92 - 4.6=83, 5646/1.8=18...(7) H VAL 120 + HB3 LEU 58 OK 50 90 - 56 - 5646/1.8=10, 1794/3.9=9...(19) H LEU 117 - HB3 LEU 58 OK 44 99 - 44 - 1467/3.9=8, 5646/1.8=8...(9) H LEU 117 - HB2 LEU 93 OK 22 49 - 45 - ~7607=8, 594/3.0=6...(12) H ASN 12 - HB3 LEU 58 OK 16 100 - 16 - 5646/1.8=3, 12/3.0=3...(6) H LEU 59 - HB2 LEU 93 OK 15 50 - 30 - 1056/1.8=5, 1057/3.1=3...(12) H VAL 120 - HB2 LEU 93 OK 14 41 - 33 - 4.0/8179=5, 4.0/8178=4...(11) H LEU 59 - HB2 LEU 24 OK 10 55 - 18 - 4.6/3357=3, 4.9/3385=3...(6) H VAL 120 - HB2 LEU 24 lone 4 44 - 10 - 1392/3.0=1, ~2209=1 H LEU 117 - HB2 LEU 24 lone 2 53 - 4 - H ASN 12 - HB2 LEU 93 lone 2 50 - 4 - H ASN 12 - HB2 LEU 24 lone 1 55 - 2 - Peak 5648 from cnoeabs.peaks (8.67, 1.93, 26.17 ppm; 5.07 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 59 + HG LEU 58 OK 70 100 - 70 - 5646/3.0=18, 276/2.1=18...(8) H VAL 120 + HG LEU 58 OK 62 90 - 69 - 5646/3.0=11, 5650/2.1=10...(20) H LEU 117 + HG LEU 58 OK 52 99 - 53 - 5650/2.1=10, 5646/3.0=8...(11) H ASN 12 - HG LEU 58 OK 25 100 - 25 - 12=5, 5650/2.1=4...(9) Peak 5649 from cnoeabs.peaks (8.67, 0.99, 21.76 ppm; 4.63 A): 3 out of 8 assignments used, quality = 0.99: * H LEU 59 + QD2 LEU 58 OK 95 100 - 95 - 4.9=86, 276/2.1=17...(12) H VAL 120 + QD2 LEU 58 OK 55 90 - 61 - 5648/2.1=10, 5650/2.1=9...(17) H LEU 117 + QD2 LEU 58 OK 54 99 - 54 - 5650/2.1=9, 5648/2.1=8...(14) H ASN 12 - QD2 LEU 58 OK 19 100 - 19 - 12/2.1=4, 5650/2.1=3...(6) H LEU 117 - QG1 VAL 18 OK 19 91 - 21 - 592/4.3=5, 3.6/6372=4...(5) H LEU 59 - QG1 VAL 18 OK 15 93 - 16 - 276=3, 4.6/3359=2...(5) H VAL 120 - QG1 VAL 18 lone 8 79 - 10 - 4.6/8028=2 H ASN 12 - QG1 VAL 18 lone 7 92 - 8 - 13/2.1=2, 4.2/6868=1 Peak 5650 from cnoeabs.peaks (8.67, 1.00, 25.81 ppm; 4.72 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 59 + QD1 LEU 58 OK 97 100 - 97 - 4.9=92, 276/2.1=18...(12) H VAL 120 + QD1 LEU 58 OK 60 90 - 66 - 5648/2.1=10, 5646/3.1=9...(24) H LEU 117 + QD1 LEU 58 OK 59 99 - 60 - 5648/2.1=8, 3.0/8534=8...(16) H ASN 12 - QD1 LEU 58 OK 20 100 - 19 - 5648/2.1=4, 5646/3.1=3...(6) Peak 5653 from cnoeabs.peaks (10.09, 4.47, 63.39 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 61 + HA PRO 60 OK 100 100 - 100 - 3.5=100 H GLY 61 - HA PRO 70 poor 9 46 - 20 - 278=6, 4.2/3459=4...(6) Peak 5654 from cnoeabs.peaks (10.09, 1.80, 31.50 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 61 + HB2 PRO 60 OK 100 100 - 100 - 4.2=100 H GLY 61 - HB2 PRO 37 OK 12 60 - 19 - 4.2/3460=6, 3.5/3452=4...(5) Peak 5655 from cnoeabs.peaks (10.09, 2.32, 31.50 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 61 + HB3 PRO 60 OK 100 100 - 100 - 4.2=100 H GLY 61 - HB VAL 120 lone 6 61 - 9 - 4.6/7099=2, 280=2...(4) Peak 5658 from cnoeabs.peaks (8.33, 3.79, 44.89 ppm; 4.83 A): 1 out of 5 assignments used, quality = 1.00: * H THR 62 + HA2 GLY 61 OK 100 100 - 100 - 3.6=100 H SER 74 - HA2 GLY 61 lone 7 87 - 8 - 5659/1.8=2, 1468/3.0=2 H ILE 22 - HA2 GLY 61 lone 6 68 - 9 - 5659/1.8=2, 1468/3.0=2...(4) H GLY 125 - HA2 GLY 61 lone 5 100 - 5 - 1468/3.0=2, 5659/1.8=2 H CYS 87 - HA2 GLY 61 lone 5 76 - 7 - 1468/3.0=2, 5659/1.8=1 Peak 5659 from cnoeabs.peaks (8.33, 4.19, 44.89 ppm; 4.99 A): 1 out of 5 assignments used, quality = 1.00: * H THR 62 + HA3 GLY 61 OK 100 100 - 100 - 3.6=100 H SER 74 - HA3 GLY 61 lone 8 87 - 9 - 1468/3.0=2, 5658/1.8=2...(4) H ILE 22 - HA3 GLY 61 poor 8 68 - 11 - 5658/1.8=2, 1468/3.0=2, ~3482=1 H GLY 125 - HA3 GLY 61 lone 6 100 - 6 - 1468/3.0=2, 5658/1.8=2 H CYS 87 - HA3 GLY 61 lone 4 76 - 6 - 5658/1.8=2, 1468/3.0=2 Peak 5660 from cnoeabs.peaks (8.44, 3.99, 64.81 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 63 + HA THR 62 OK 100 100 - 100 - 3.6=100 H GLU 82 - HA THR 62 OK 34 98 - 35 - 1469/3.0=8, 391=8...(7) H LEU 51 - HA THR 62 OK 12 92 - 13 - 5662/3.2=4, 5661/3.0=3...(4) H GLN 16 - HA THR 62 OK 10 96 - 10 - 1469/3.0=3, 5661/3.0=2...(4) Peak 5661 from cnoeabs.peaks (8.44, 3.92, 69.57 ppm; 4.09 A): 3 out of 4 assignments used, quality = 0.93: * H ILE 63 + HB THR 62 OK 88 100 - 88 - 4.4=80, 1469/3.9=19...(7) H GLU 82 + HB THR 62 OK 29 98 - 30 - 5660/3.0=6, 5662/2.1=6...(6) H LEU 51 + HB THR 62 OK 14 92 - 16 - 5662/2.1=5, 5660/3.0=2...(5) H GLN 16 - HB THR 62 lone 9 96 - 9 - 1469/3.9=2, 5662/2.1=2 Peak 5662 from cnoeabs.peaks (8.44, 1.11, 22.11 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 63 + QG2 THR 62 OK 100 100 - 100 - 4.0=100 H GLU 82 - QG2 THR 62 OK 31 98 - 32 - 5661/2.1=8, 1469/4.0=7...(7) H LEU 51 - QG2 THR 62 OK 24 92 - 26 - 3.6/7112=7, 5661/2.1=4...(8) H GLN 16 - QG2 THR 62 OK 11 96 - 11 - 1469/4.0=2, 5661/2.1=2...(4) Peak 5663 from cnoeabs.peaks (9.24, 4.14, 58.43 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.88: * H GLU 64 + HA ILE 63 OK 88 100 - 88 - 3.6=73, 5665/3.2=20...(15) Peak 5664 from cnoeabs.peaks (9.24, 2.06, 36.26 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 64 + HB ILE 63 OK 99 100 - 99 - 4.4=95, 5665/2.1=43...(12) H GLU 64 + HG2 GLU 64 OK 71 78 - 92 - 5.0=67, 3564/1.8=25...(16) H GLU 64 - HG3 GLU 69 lone 4 50 - 8 - 1077=1 Peak 5665 from cnoeabs.peaks (9.24, 0.76, 17.61 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 64 + QG2 ILE 63 OK 92 100 - 92 - 4.3=62, 5663/3.2=30...(15) Peak 5668 from cnoeabs.peaks (9.24, 0.94, 10.87 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.82: * H GLU 64 + QD1 ILE 63 OK 82 100 - 83 - 5665/3.2=30, 5663/4.2=27...(16) Peak 5669 from cnoeabs.peaks (7.21, 4.26, 56.88 ppm; 3.95 A): 1 out of 10 assignments used, quality = 1.00: * H LYS 65 + HA GLU 64 OK 100 100 - 100 - 3.6=100 QD TYR 102 - HA GLU 64 OK 16 98 - 16 - 1471/2.9=4, ~7156=2...(7) QD PHE 107 - HA GLU 64 OK 15 68 - 22 - ~7159=11, 1471/2.9=4...(7) H LYS 65 - HA LEU 58 OK 14 82 - 17 - 300=4, 4.6/3540=3...(7) QD TYR 67 - HA GLU 64 OK 12 93 - 13 - 1471/2.9=4, 7125/7145=2...(6) QD TYR 102 - HA LEU 58 poor 9 78 - 12 - 4735/3.0=2, 4746/4.0=2...(4) QE PHE 40 - HA GLU 64 lone 8 99 - 8 - 1471/2.9=3, 5670/3.0=1 QE PHE 40 - HA LEU 58 lone 5 80 - 6 - 6348/4.0=2, 4680/4.0=1 QD PHE 107 - HA LEU 58 lone 2 49 - 5 - 4807/4.0=1 QD TYR 67 - HA LEU 58 lone 2 71 - 3 - Peak 5670 from cnoeabs.peaks (7.21, 1.94, 30.87 ppm; 3.76 A): 2 out of 10 assignments used, quality = 0.97: H LYS 65 + HB3 GLU 64 OK 82 100 - 82 - 4.6=54, 299/4.0=26...(10) * H LYS 65 + HB2 GLU 64 OK 82 100 - 82 - 4.6=54, 299/4.0=26...(10) QD TYR 102 - HB3 GLU 64 OK 12 98 - 12 - 1471/4.0=2, 5669/3.0=2...(6) QD TYR 102 - HB2 GLU 64 OK 12 98 - 12 - 1471/4.0=2, 5669/3.0=2...(6) QD PHE 107 - HB2 GLU 64 OK 11 68 - 16 - 1471/4.0=3, 5669/3.0=2...(9) QD PHE 107 - HB3 GLU 64 OK 11 68 - 16 - 1471/4.0=3, 5669/3.0=2...(10) QD TYR 67 - HB3 GLU 64 poor 10 93 - 11 - 1471/4.0=3, 5669/3.0=2...(4) QD TYR 67 - HB2 GLU 64 poor 10 93 - 11 - 1471/4.0=3, 5669/3.0=2...(4) QE PHE 40 - HB3 GLU 64 lone 8 99 - 8 - 1471/4.0=2, 5669/3.0=1 QE PHE 40 - HB2 GLU 64 lone 8 99 - 8 - 1471/4.0=2, 5669/3.0=1 Peak 5671 from cnoeabs.peaks (7.21, 1.93, 30.87 ppm; 3.76 A): 2 out of 10 assignments used, quality = 0.97: * H LYS 65 + HB3 GLU 64 OK 82 100 - 82 - 4.6=54, 299/4.0=26...(10) H LYS 65 + HB2 GLU 64 OK 81 100 - 82 - 4.6=54, 299/4.0=26...(10) QD TYR 102 - HB3 GLU 64 OK 12 98 - 12 - 1471/4.0=2, 5669/3.0=2...(6) QD TYR 102 - HB2 GLU 64 OK 12 98 - 12 - 1471/4.0=2, 5669/3.0=2...(6) QD PHE 107 - HB3 GLU 64 OK 11 68 - 16 - 1471/4.0=3, 5669/3.0=2...(9) QD PHE 107 - HB2 GLU 64 OK 11 68 - 16 - 1471/4.0=3, 5669/3.0=2...(9) QD TYR 67 - HB3 GLU 64 poor 10 93 - 11 - 1471/4.0=3, 5669/3.0=2...(4) QD TYR 67 - HB2 GLU 64 poor 10 93 - 11 - 1471/4.0=3, 5669/3.0=2...(4) QE PHE 40 - HB3 GLU 64 lone 8 99 - 8 - 1471/4.0=2, 5669/3.0=1 QE PHE 40 - HB2 GLU 64 lone 8 99 - 8 - 1471/4.0=2, 5669/3.0=1 Peak 5672 from cnoeabs.peaks (7.21, 2.07, 35.98 ppm; 4.49 A): 3 out of 15 assignments used, quality = 0.91: * H LYS 65 + HG2 GLU 64 OK 69 100 - 69 - 299/5.0=27, 300/3.9=20...(8) H LYS 65 + HB ILE 63 OK 59 78 - 75 - 299/4.4=32, 7125/2.1=22...(10) QD TYR 67 + HB ILE 63 OK 31 68 - 46 - 7125/2.1=10, 7122/3.0=6...(14) QD PHE 107 - HB ILE 63 OK 17 46 - 36 - 7125/2.1=6, 7130/3.2=5...(12) QE PHE 40 - HB ILE 63 OK 15 76 - 20 - 7125/2.1=4, ~7131=3...(6) QD TYR 67 - HG2 GLU 64 OK 14 93 - 15 - 1471/5.0=3, 5673/1.8=2...(6) QD TYR 102 - HG2 GLU 64 OK 14 98 - 14 - 5669/3.9=3, 1471/5.0=3...(6) QD PHE 107 - HG2 GLU 64 OK 13 68 - 20 - 1471/5.0=3, 5669/3.9=2...(9) QD TYR 102 - HB ILE 63 OK 11 74 - 15 - 7125/2.1=4, 1471/4.4=3...(4) QD TYR 102 - HG3 GLU 69 poor 10 80 - 12 - 4739/4.0=2, ~4756=2...(6) QE PHE 40 - HG2 GLU 64 lone 9 99 - 9 - 1471/5.0=2, 5673/1.8=2...(5) H LYS 65 - HG3 GLU 69 lone 6 85 - 7 - QE PHE 40 - HG3 GLU 69 lone 4 83 - 4 - ~4815=1 QD TYR 67 - HG3 GLU 69 lone 3 74 - 4 - QD PHE 107 - HG3 GLU 69 lone 2 51 - 3 - Peak 5673 from cnoeabs.peaks (7.21, 2.24, 35.98 ppm; 4.62 A): 7 out of 20 assignments used, quality = 0.90: * H LYS 65 + HG3 GLU 64 OK 71 100 - 71 - 299/5.0=29, 300/3.9=21...(8) H LYS 65 + HG2 GLU 94 OK 20 99 - 21 - 304=4, 4.6/3564=4...(7) H LYS 65 + HG3 GLU 28 OK 17 99 - 17 - 4.6/3564=4, 304=3...(4) H LYS 65 + HG2 GLU 28 OK 17 98 - 17 - 4.6/3564=4, 304=3...(4) QD TYR 102 + HG3 GLU 64 OK 14 98 - 14 - 1471/5.0=3, 5669/3.9=3...(6) QD TYR 67 + HG3 GLU 64 OK 13 93 - 14 - 1471/5.0=3, 4688/1.8=2...(5) QD PHE 107 + HG3 GLU 64 OK 13 68 - 19 - 1471/5.0=3, 2.2/7817=3...(8) QE PHE 40 - HG3 GLU 64 lone 10 99 - 10 - 1471/5.0=2, 5669/3.9=1...(5) QD TYR 102 - HG3 GLU 28 lone 5 96 - 6 - 4737/5.1=3 QD TYR 102 - HG2 GLU 28 lone 5 95 - 6 - 4737/5.1=3 QD TYR 102 - HG2 GLU 94 lone 4 97 - 5 - QD PHE 107 - HG2 GLU 94 lone 4 66 - 6 - QE PHE 40 - HG3 GLU 28 lone 4 98 - 4 - 6.5/6739=1 QD PHE 107 - HG3 GLU 28 lone 4 65 - 7 - 2.2/7817=1 QE PHE 40 - HG2 GLU 28 lone 4 97 - 4 - 6.5/6739=1 QD PHE 107 - HG2 GLU 28 lone 4 64 - 7 - 2.2/7817=1 QD TYR 67 - HG3 GLU 28 lone 3 91 - 4 - QD TYR 67 - HG2 GLU 28 lone 3 89 - 4 - QD TYR 67 - HG2 GLU 94 lone 3 92 - 4 - QE PHE 40 - HG2 GLU 94 lone 3 98 - 3 - Peak 5674 from cnoeabs.peaks (7.96, 4.29, 55.54 ppm; 2.67 A): 3 out of 6 assignments used, quality = 0.73: * H VAL 66 + HA LYS 65 OK 62 100 - 62 - 3.6=42, 307/3.0=6...(12) H LEU 114 + HA LYS 65 OK 21 97 - 22 - 1353=3, 1472/3.0=3...(10) H ALA 89 + HA LYS 65 OK 10 100 - 10 - 1472/3.0=1, 1353=1 H ARG 92 - HA LYS 65 lone 8 100 - 8 - 3660/4.7=1, 1472/3.0=1 H SER 44 - HA LYS 65 lone 4 93 - 4 - HE ARG 85 - HA LYS 65 lone 1 83 - 2 - Peak 5675 from cnoeabs.peaks (7.96, 1.54, 33.77 ppm; 4.03 A): 2 out of 12 assignments used, quality = 0.99: * H VAL 66 + HB2 LYS 65 OK 89 100 - 89 - 4.7=65, 306/3.0=26...(11) H VAL 66 + HB3 LYS 65 OK 89 100 - 89 - 4.7=65, 306/3.0=26...(11) H LEU 114 - HB2 LYS 65 OK 32 97 - 33 - 5674/3.0=8, 1472/4.0=5...(12) H LEU 114 - HB3 LYS 65 OK 32 97 - 33 - 5674/3.0=8, 1472/4.0=5...(12) H ALA 89 - HB2 LYS 65 OK 21 100 - 21 - 5674/3.0=4, 1472/4.0=3...(7) H ALA 89 - HB3 LYS 65 OK 21 100 - 21 - 5674/3.0=4, 1472/4.0=3...(7) H ARG 92 - HB2 LYS 65 OK 15 100 - 15 - 5674/3.0=3, 1472/4.0=2...(7) H ARG 92 - HB3 LYS 65 OK 15 100 - 15 - 5674/3.0=3, 1472/4.0=2...(7) H SER 44 - HB2 LYS 65 OK 11 93 - 12 - 5674/3.0=2, 1472/4.0=1...(5) H SER 44 - HB3 LYS 65 OK 11 93 - 12 - 5674/3.0=2, 1472/4.0=1...(5) HE ARG 85 - HB2 LYS 65 lone 4 83 - 5 - HE ARG 85 - HB3 LYS 65 lone 4 83 - 5 - Peak 5676 from cnoeabs.peaks (7.96, 1.54, 33.77 ppm; 4.03 A): 2 out of 12 assignments used, quality = 0.99: H VAL 66 + HB2 LYS 65 OK 89 100 - 89 - 4.7=65, 306/3.0=26...(11) * H VAL 66 + HB3 LYS 65 OK 89 100 - 89 - 4.7=65, 306/3.0=26...(11) H LEU 114 - HB2 LYS 65 OK 32 97 - 33 - 5674/3.0=8, 1472/4.0=5...(12) H LEU 114 - HB3 LYS 65 OK 32 97 - 33 - 5674/3.0=8, 1472/4.0=5...(12) H ALA 89 - HB2 LYS 65 OK 21 100 - 21 - 5674/3.0=4, 1472/4.0=3...(7) H ALA 89 - HB3 LYS 65 OK 21 100 - 21 - 5674/3.0=4, 1472/4.0=3...(7) H ARG 92 - HB2 LYS 65 OK 15 100 - 15 - 5674/3.0=3, 1472/4.0=2...(7) H ARG 92 - HB3 LYS 65 OK 15 100 - 15 - 5674/3.0=3, 1472/4.0=2...(7) H SER 44 - HB2 LYS 65 OK 11 93 - 12 - 5674/3.0=2, 1472/4.0=1...(5) H SER 44 - HB3 LYS 65 OK 11 93 - 12 - 5674/3.0=2, 1472/4.0=1...(5) HE ARG 85 - HB2 LYS 65 lone 4 83 - 5 - HE ARG 85 - HB3 LYS 65 lone 4 83 - 5 - Peak 5677 from cnoeabs.peaks (7.96, 0.98, 23.76 ppm; 3.87 A): 3 out of 12 assignments used, quality = 0.95: * H VAL 66 + HG2 LYS 65 OK 73 100 - 73 - 306/4.0=19, 310=18...(11) H VAL 66 + HG3 LYS 65 OK 73 100 - 73 - 306/4.0=19, 310=18...(11) H LEU 114 + HG2 LYS 65 OK 33 97 - 34 - 5674/4.0=6, 1472/4.9=4...(12) H LEU 114 - HG3 LYS 65 OK 33 97 - 34 - 5674/4.0=6, 1472/4.9=4...(12) H ALA 89 - HG2 LYS 65 OK 21 100 - 21 - 5674/4.0=3, 5680/2.9=2...(8) H ALA 89 - HG3 LYS 65 OK 21 100 - 21 - 5674/4.0=3, 5680/2.9=2...(8) H ARG 92 - HG2 LYS 65 OK 15 100 - 15 - 5674/4.0=2, 446/2.9=2...(8) H ARG 92 - HG3 LYS 65 OK 15 100 - 15 - 5674/4.0=2, 446/2.9=2...(8) H SER 44 - HG2 LYS 65 OK 11 93 - 12 - 4.6/6837=2, 5674/4.0=1 H SER 44 - HG3 LYS 65 OK 11 93 - 12 - 4.6/6837=2, 5674/4.0=1 HE ARG 85 - HG2 LYS 65 lone 3 83 - 4 - HE ARG 85 - HG3 LYS 65 lone 3 83 - 4 - Peak 5678 from cnoeabs.peaks (7.96, 0.98, 23.76 ppm; 3.87 A): 3 out of 12 assignments used, quality = 0.95: H VAL 66 + HG2 LYS 65 OK 73 100 - 73 - 306/4.0=19, 310=18...(11) * H VAL 66 + HG3 LYS 65 OK 73 100 - 73 - 306/4.0=19, 310=18...(11) H LEU 114 + HG2 LYS 65 OK 33 97 - 34 - 5674/4.0=6, 1472/4.9=4...(12) H LEU 114 - HG3 LYS 65 OK 33 97 - 34 - 5674/4.0=6, 1472/4.9=4...(12) H ALA 89 - HG2 LYS 65 OK 21 100 - 21 - 5674/4.0=3, 5680/2.9=2...(8) H ALA 89 - HG3 LYS 65 OK 21 100 - 21 - 5674/4.0=3, 5680/2.9=2...(8) H ARG 92 - HG2 LYS 65 OK 15 100 - 15 - 5674/4.0=2, 446/2.9=2...(8) H ARG 92 - HG3 LYS 65 OK 15 100 - 15 - 5674/4.0=2, 446/2.9=2...(8) H SER 44 - HG2 LYS 65 OK 11 93 - 12 - 4.6/6837=2, 5674/4.0=1 H SER 44 - HG3 LYS 65 OK 11 93 - 12 - 4.6/6837=2, 5674/4.0=1 HE ARG 85 - HG2 LYS 65 lone 3 83 - 4 - HE ARG 85 - HG3 LYS 65 lone 3 83 - 4 - Peak 5679 from cnoeabs.peaks (7.96, 1.44, 28.56 ppm; 3.76 A): 4 out of 12 assignments used, quality = 0.93: * H VAL 66 + HD2 LYS 65 OK 62 100 - 62 - 311=12, 309/2.9=11...(10) H VAL 66 + HD3 LYS 65 OK 62 100 - 62 - 311=12, 309/2.9=11...(10) H LEU 114 + HD2 LYS 65 OK 28 97 - 29 - 5674/5.4=3, 5678/2.9=3...(13) H LEU 114 + HD3 LYS 65 OK 28 97 - 29 - 5674/5.4=3, 5678/2.9=3...(13) H ALA 89 - HD2 LYS 65 OK 22 100 - 22 - 1210=2, 1210/1.8=2...(11) H ALA 89 - HD3 LYS 65 OK 22 100 - 22 - 1210=2, 1210/1.8=2...(11) H ARG 92 - HD2 LYS 65 OK 18 100 - 18 - 446=3, 446/1.8=3...(7) H ARG 92 - HD3 LYS 65 OK 18 100 - 18 - 446=3, 446/1.8=3...(7) H SER 44 - HD2 LYS 65 lone 9 93 - 9 - 4.6/967=1 H SER 44 - HD3 LYS 65 lone 9 93 - 9 - 4.6/967=1 HE ARG 85 - HD2 LYS 65 lone 3 83 - 3 - HE ARG 85 - HD3 LYS 65 lone 3 83 - 3 - Peak 5680 from cnoeabs.peaks (7.96, 1.44, 28.56 ppm; 3.76 A): 4 out of 12 assignments used, quality = 0.93: H VAL 66 + HD2 LYS 65 OK 62 100 - 62 - 311=12, 309/2.9=11...(10) * H VAL 66 + HD3 LYS 65 OK 62 100 - 62 - 311=12, 309/2.9=11...(10) H LEU 114 + HD2 LYS 65 OK 28 97 - 29 - 5674/5.4=3, 5678/2.9=3...(13) H LEU 114 + HD3 LYS 65 OK 28 97 - 29 - 5674/5.4=3, 5678/2.9=3...(13) H ALA 89 - HD2 LYS 65 OK 22 100 - 22 - 1210=2, 1210/1.8=2...(11) H ALA 89 - HD3 LYS 65 OK 22 100 - 22 - 1210=2, 1210/1.8=2...(11) H ARG 92 - HD2 LYS 65 OK 18 100 - 18 - 446=3, 446/1.8=3...(7) H ARG 92 - HD3 LYS 65 OK 18 100 - 18 - 446=3, 446/1.8=3...(7) H SER 44 - HD2 LYS 65 lone 9 93 - 9 - 4.6/967=1 H SER 44 - HD3 LYS 65 lone 9 93 - 9 - 4.6/967=1 HE ARG 85 - HD2 LYS 65 lone 3 83 - 3 - HE ARG 85 - HD3 LYS 65 lone 3 83 - 3 - Peak 5681 from cnoeabs.peaks (7.96, 2.56, 41.75 ppm; 5.23 A): 8 out of 12 assignments used, quality = 0.94: * H VAL 66 + HE2 LYS 65 OK 70 100 - 70 - 306/5.9=18, 310/3.8=16...(9) H LEU 114 + HE2 LYS 65 OK 32 97 - 33 - 5674/5.9=6, 5680/3.0=4...(10) H SER 44 + HE3 LYS 46 OK 27 60 - 45 - 6818/7.5=10, 1603/6.1=9...(9) H ALA 89 + HE2 LYS 65 OK 23 100 - 23 - 5679/3.0=4, 5679/3.0=4...(9) H ARG 92 + HE2 LYS 65 OK 18 100 - 18 - 446/3.0=3, 446/3.0=3...(8) H VAL 66 + HE3 LYS 46 OK 16 69 - 24 - 4.7/8758=4, 4.7/8758=4...(8) H LEU 114 + HE3 LYS 46 OK 13 64 - 21 - 7559/3.9=4, 7559/3.9=4...(7) H SER 44 + HE2 LYS 65 OK 12 93 - 13 - 5677/3.8=1, 5677/3.8=1...(5) H ALA 89 - HE3 LYS 46 lone 5 68 - 7 - H ARG 92 - HE3 LYS 46 lone 4 69 - 6 - HE ARG 85 - HE2 LYS 65 lone 4 83 - 5 - HE ARG 85 - HE3 LYS 46 lone 1 51 - 2 - Peak 5683 from cnoeabs.peaks (9.60, 4.21, 59.63 ppm; 3.28 A): 1 out of 1 assignment used, quality = 0.91: * H TYR 67 + HA VAL 66 OK 91 100 - 91 - 3.6=78, 5685/3.2=21...(10) Peak 5684 from cnoeabs.peaks (9.60, 1.75, 35.64 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 67 + HB VAL 66 OK 100 100 - 100 - 4.5=98, 5685/2.1=45...(7) Peak 5685 from cnoeabs.peaks (9.60, 0.70, 19.30 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.92: * H TYR 67 + QG1 VAL 66 OK 92 100 - 92 - 4.3=62, 5686/2.1=34...(13) Peak 5686 from cnoeabs.peaks (9.60, 0.77, 21.33 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.92: * H TYR 67 + QG2 VAL 66 OK 92 100 - 92 - 4.3=63, 5685/2.1=34...(12) Peak 5687 from cnoeabs.peaks (8.26, 3.91, 51.16 ppm; 3.69 A): 3 out of 6 assignments used, quality = 0.95: * H GLU 69 + HD2 PRO 68 OK 74 100 - 74 - 326=20, 320/3.6=17...(9) H GLU 69 + HD3 PRO 68 OK 74 100 - 74 - 326=20, 320/3.6=17...(9) H VAL 49 + HD2 PRO 68 OK 31 97 - 32 - 5692/2.3=7, 5691/3.0=7...(7) H VAL 49 - HD3 PRO 68 OK 31 96 - 32 - 5692/2.3=7, 5691/3.0=7...(7) H TRP 20 - HD2 PRO 68 OK 14 92 - 15 - 5692/2.3=4, 5693/2.3=3...(5) H TRP 20 - HD3 PRO 68 OK 14 92 - 15 - 5692/2.3=4, 5693/2.3=3...(5) Peak 5688 from cnoeabs.peaks (8.26, 3.92, 51.16 ppm; 3.69 A): 3 out of 6 assignments used, quality = 0.95: H GLU 69 + HD2 PRO 68 OK 74 100 - 74 - 326=20, 320/3.6=17...(9) * H GLU 69 + HD3 PRO 68 OK 74 100 - 74 - 326=20, 320/3.6=17...(9) H VAL 49 + HD2 PRO 68 OK 31 96 - 32 - 5692/2.3=7, 5691/3.0=7...(7) H VAL 49 - HD3 PRO 68 OK 31 97 - 32 - 5692/2.3=7, 5691/3.0=7...(7) H TRP 20 - HD3 PRO 68 OK 14 92 - 15 - 5692/2.3=4, 5693/2.3=3...(5) H TRP 20 - HD2 PRO 68 OK 14 92 - 15 - 5692/2.3=4, 5693/2.3=3...(5) Peak 5689 from cnoeabs.peaks (8.26, 4.18, 63.94 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + HA PRO 68 OK 100 100 - 100 - 3.6=100 H VAL 49 - HA PRO 68 OK 38 97 - 40 - 5691/2.3=8, 5690/2.3=8...(10) H TRP 20 - HA PRO 68 OK 17 92 - 18 - 5691/2.3=4, 5690/2.3=4...(7) Peak 5690 from cnoeabs.peaks (8.26, 2.23, 32.13 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + HB2 PRO 68 OK 100 100 - 100 - 3.9=100 H VAL 49 + HB2 PRO 68 OK 45 97 - 47 - 5691/1.8=10, 5689/2.3=9...(9) H TRP 20 - HB2 PRO 68 OK 20 92 - 22 - 5691/1.8=5, 5692/2.3=5...(6) Peak 5691 from cnoeabs.peaks (8.26, 1.98, 32.13 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + HB3 PRO 68 OK 100 100 - 100 - 3.9=100 H VAL 49 - HB3 PRO 68 OK 40 97 - 41 - 5690/1.8=9, 5689/2.3=8...(9) H TRP 20 - HB3 PRO 68 OK 18 92 - 19 - 5690/1.8=4, 5692/2.3=4...(6) Peak 5692 from cnoeabs.peaks (8.26, 1.98, 27.06 ppm; 3.82 A): 4 out of 9 assignments used, quality = 0.84: * H GLU 69 + HG2 PRO 68 OK 68 100 - 68 - 324/1.8=18, 323/2.3=17...(7) H VAL 49 + HG2 PRO 68 OK 33 97 - 34 - 5691/2.3=8, 5690/2.3=8...(7) H TRP 20 + HG2 PRO 68 OK 17 92 - 18 - 5693/1.8=4, 5691/2.3=4...(6) H GLU 69 + HG LEU 114 OK 12 71 - 17 - 7241/2.1=4, 323=3...(5) H GLU 69 - HG2 PRO 60 lone 8 93 - 9 - 3.6/3726=2, 3.9/3733=2, 322=2 H VAL 49 - HG2 PRO 60 lone 3 87 - 3 - H VAL 49 - HG LEU 114 lone 2 65 - 3 - H TRP 20 - HG LEU 114 lone 2 59 - 3 - 6380/3.0=1 H TRP 20 - HG2 PRO 60 lone 1 81 - 1 - Peak 5693 from cnoeabs.peaks (8.26, 1.87, 27.06 ppm; 4.05 A): 5 out of 6 assignments used, quality = 0.92: * H GLU 69 + HG3 PRO 68 OK 74 100 - 74 - 324=21, 5692/1.8=19...(10) H VAL 49 + HG3 PRO 68 OK 38 97 - 39 - 5692/1.8=9, 5691/2.3=9...(7) H GLU 69 + HG LEU 55 OK 26 92 - 28 - 324=6, 3.9/3742=5...(6) H TRP 20 + HG3 PRO 68 OK 19 92 - 20 - 5692/1.8=5, 5691/2.3=4...(6) H VAL 49 + HG LEU 55 OK 14 86 - 16 - 992/2.1=4, ~3043=3...(5) H TRP 20 - HG LEU 55 lone 5 80 - 6 - 1556/4.3=1 Peak 5696 from cnoeabs.peaks (9.10, 4.48, 62.99 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 71 + HA PRO 70 OK 100 100 - 100 - 3.5=100 H ARG 71 - HA PRO 60 OK 13 46 - 28 - 8415/2.3=6, 331/3.8=4...(9) Peak 5697 from cnoeabs.peaks (9.10, 2.24, 33.65 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 71 + HB2 PRO 70 OK 100 100 - 100 - 3.9=100 Peak 5698 from cnoeabs.peaks (9.10, 2.10, 33.65 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 71 + HB3 PRO 70 OK 100 100 - 100 - 3.9=100 Peak 5700 from cnoeabs.peaks (9.10, 2.04, 28.63 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.68: * H ARG 71 + HG3 PRO 70 OK 68 100 - 68 - 329/2.3=29, 331=17...(12) Peak 5701 from cnoeabs.peaks (7.42, 4.48, 55.01 ppm; 3.92 A): 1 out of 6 assignments used, quality = 1.00: * H SER 72 + HA ARG 71 OK 100 100 - 100 - 3.6=100 H GLU 75 - HA ARG 71 OK 26 76 - 34 - 8336/3.0=17, 4.0/7319=6...(7) H LYS 32 - HA ARG 71 OK 19 99 - 20 - 120/3.0=4, 1474/3.0=3...(8) HD21 ASN 79 - HA ARG 71 OK 15 95 - 15 - 1474/3.0=5, ~7280=3...(5) HE21 GLN 105 - HA ARG 71 OK 14 99 - 14 - 334/3.0=6, 335=3...(4) H PHE 96 - HA ARG 71 lone 2 68 - 3 - Peak 5702 from cnoeabs.peaks (7.42, 1.97, 31.54 ppm; 4.24 A): 1 out of 12 assignments used, quality = 0.98: * H SER 72 + HB2 ARG 71 OK 98 100 - 98 - 4.3=95, 334/4.0=25...(6) H LYS 32 - HB3 PRO 30 OK 31 39 - 79 - 6611/1.8=27, 119/5.0=16...(15) H LYS 32 - HB2 ARG 71 OK 22 99 - 23 - 120/1.8=6, 5701/3.0=4...(8) H GLU 75 - HB2 ARG 71 OK 22 76 - 29 - 8336/4.0=16, 5701/3.0=5...(5) H SER 72 - HB3 PRO 30 OK 18 41 - 45 - 6581/2.3=10, 6582/1.8=9...(13) HE21 GLN 105 - HB2 ARG 71 OK 16 99 - 16 - 334/4.0=5, 336=3...(6) HD21 ASN 79 - HB2 ARG 71 OK 11 95 - 11 - 1474/4.0=4, 5701/3.0=3...(4) H GLU 75 - HB3 PRO 30 poor 7 25 - 26 - 6582/1.8=6, 6581/2.3=6...(9) HD21 ASN 79 - HB3 PRO 30 poor 4 35 - 10 - 6582/1.8=2, 6581/2.3=2...(4) HE21 GLN 105 - HB3 PRO 30 lone 3 39 - 8 - 6581/2.3=2, 6582/1.8=1 H PHE 96 - HB2 ARG 71 lone 3 68 - 4 - H PHE 96 - HB3 PRO 30 lone 1 22 - 5 - Peak 5703 from cnoeabs.peaks (7.42, 1.73, 31.54 ppm; 3.96 A): 2 out of 12 assignments used, quality = 0.98: * H SER 72 + HB3 ARG 71 OK 89 100 - 89 - 4.3=77, 334/4.0=22...(6) H LYS 32 + HB2 LYS 31 OK 84 98 - 85 - 4.7=62, 119/3.0=25...(11) H SER 72 - HB2 LYS 31 OK 30 100 - 31 - 5519/1.8=5, 1444/4.0=5...(9) H LYS 32 - HB3 ARG 71 OK 28 99 - 28 - 120=6, 3.6/2406=4...(9) H GLU 75 - HB3 ARG 71 OK 21 76 - 27 - 8336/4.0=14, 5701/3.0=4...(7) HE21 GLN 105 - HB3 ARG 71 OK 14 99 - 14 - 334/4.0=5, 5701/3.0=2...(4) H GLU 75 - HB2 LYS 31 OK 14 75 - 18 - 1444/4.0=4, 5519/1.8=3...(6) HD21 ASN 79 - HB3 ARG 71 OK 10 95 - 11 - 1474/4.0=4, 5701/3.0=2 HD21 ASN 79 - HB2 LYS 31 lone 8 94 - 8 - 5519/1.8=2, 1444/4.0=2...(4) HE21 GLN 105 - HB2 LYS 31 lone 7 98 - 7 - 5519/1.8=1, 337=1, 5517/3.0=1 H PHE 96 - HB2 LYS 31 lone 3 67 - 4 - 5519/1.8=1 H PHE 96 - HB3 ARG 71 lone 2 68 - 3 - Peak 5704 from cnoeabs.peaks (7.42, 1.74, 26.46 ppm; 4.31 A): 2 out of 18 assignments used, quality = 0.98: * H SER 72 + HG2 ARG 71 OK 89 100 - 89 - 4.7=76, 334/5.0=20...(6) H SER 72 + HG3 ARG 71 OK 84 95 - 89 - 4.7=76, 334/5.0=20...(7) H LYS 32 - HG3 PRO 30 OK 36 54 - 68 - 6611/2.3=25, 6610/2.3=19...(11) H LYS 32 - HG2 ARG 71 OK 23 99 - 23 - 120/3.0=5, 120=3...(8) H GLU 75 - HG2 ARG 71 OK 20 76 - 27 - 8336/5.0=14, 5701/4.0=4...(6) H SER 72 - HG3 PRO 30 OK 20 56 - 36 - 6582/2.3=8, 6581/3.8=7...(10) H LYS 32 - HG3 ARG 71 OK 19 92 - 21 - 120/3.0=5, 120/1.8=4...(7) H GLU 75 - HG3 ARG 71 OK 18 67 - 27 - 8336/5.0=14, 5701/4.0=4...(6) HE21 GLN 105 - HG2 ARG 71 OK 13 99 - 13 - 334/5.0=4, 5701/4.0=2...(6) HE21 GLN 105 - HG3 ARG 71 OK 12 91 - 13 - 334/5.0=4, 5701/4.0=2...(6) HD21 ASN 79 - HG2 ARG 71 lone 9 95 - 9 - 1474/5.0=3, 5701/4.0=2...(4) HD21 ASN 79 - HG3 ARG 71 lone 8 86 - 10 - 1474/5.0=3, 5701/4.0=2...(4) H GLU 75 - HG3 PRO 30 poor 8 36 - 22 - 6582/2.3=6, 6581/3.8=4...(7) HD21 ASN 79 - HG3 PRO 30 lone 4 49 - 8 - 6582/2.3=2, 6581/3.8=2 HE21 GLN 105 - HG3 PRO 30 lone 3 53 - 6 - 6582/2.3=1, 6581/3.8=1 H PHE 96 - HG2 ARG 71 lone 3 68 - 5 - H PHE 96 - HG3 ARG 71 lone 3 60 - 5 - H PHE 96 - HG3 PRO 30 lone 2 31 - 6 - 3.6/7636=1 Peak 5705 from cnoeabs.peaks (7.42, 1.76, 26.46 ppm; 4.20 A): 3 out of 18 assignments used, quality = 0.99: * H SER 72 + HG3 ARG 71 OK 86 100 - 86 - 4.7=70, 334/5.0=18...(7) H SER 72 + HG2 ARG 71 OK 81 95 - 85 - 4.7=70, 334/5.0=18...(6) H LYS 32 + HG3 PRO 30 OK 51 71 - 72 - 6611/2.3=24, 6610/2.3=18...(17) H SER 72 - HG3 PRO 30 OK 27 73 - 37 - 6582/2.3=8, 6581/3.8=7...(10) H GLU 75 - HG3 ARG 71 OK 22 76 - 29 - 8336/5.0=13, 5701/4.0=4...(7) H LYS 32 - HG3 ARG 71 OK 21 99 - 21 - 120/3.0=4, 120/1.8=4...(7) H LYS 32 - HG2 ARG 71 OK 19 92 - 21 - 120/3.0=4, 6610/3.0=3...(7) H GLU 75 - HG2 ARG 71 OK 17 67 - 26 - 8336/5.0=13, 5701/4.0=4...(6) HE21 GLN 105 - HG3 ARG 71 OK 13 99 - 13 - 334/5.0=4, 5701/4.0=2...(6) H GLU 75 - HG3 PRO 30 OK 12 48 - 25 - 6582/2.3=5, 6581/3.8=4...(7) HE21 GLN 105 - HG2 ARG 71 OK 12 91 - 13 - 334/5.0=4, 5701/4.0=2...(6) HD21 ASN 79 - HG3 ARG 71 lone 9 95 - 9 - 1474/5.0=3, 5701/4.0=2...(4) HD21 ASN 79 - HG2 ARG 71 lone 8 86 - 9 - 1474/5.0=3, 5701/4.0=2...(4) HD21 ASN 79 - HG3 PRO 30 lone 6 65 - 9 - 6582/2.3=2, 6581/3.8=2 HE21 GLN 105 - HG3 PRO 30 lone 4 70 - 6 - 6582/2.3=1, 6581/3.8=1 H PHE 96 - HG3 ARG 71 lone 4 68 - 5 - H PHE 96 - HG3 PRO 30 lone 3 43 - 7 - 3.6/7636=2, 3.6/7634=1 H PHE 96 - HG2 ARG 71 lone 3 60 - 4 - Peak 5708 from cnoeabs.peaks (9.17, 4.72, 55.77 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 73 + HA SER 72 OK 100 100 - 100 - 3.6=100 Peak 5709 from cnoeabs.peaks (9.17, 3.77, 66.71 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 73 + HB2 SER 72 OK 100 100 - 100 - 4.5=100 Peak 5710 from cnoeabs.peaks (9.17, 4.14, 66.71 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 73 + HB3 SER 72 OK 100 100 - 100 - 4.5=100 Peak 5711 from cnoeabs.peaks (8.35, 3.74, 59.68 ppm; 5.02 A): 1 out of 5 assignments used, quality = 1.00: * H SER 74 + HA GLU 73 OK 100 100 - 100 - 3.6=100 H ILE 80 - HA GLU 73 OK 18 63 - 29 - 3.9/3909=5, 1476/3.0=4...(11) H THR 62 - HA GLU 73 OK 12 87 - 13 - 1476/3.0=3, 5713/3.0=2...(5) H VAL 115 - HA GLU 73 poor 9 78 - 11 - 1476/3.0=2, 4.0/7972=1...(4) H GLY 125 - HA GLU 73 poor 8 78 - 10 - 346/3.0=3, 348/3.0=1...(4) Peak 5712 from cnoeabs.peaks (8.35, 2.19, 29.69 ppm; 4.30 A): 1 out of 10 assignments used, quality = 1.00: * H SER 74 + HB2 GLU 73 OK 100 100 - 100 - 4.2=100 H ILE 80 - HG12 ILE 80 OK 29 34 - 86 - 5.1=59, 1160/1.8=11...(12) H VAL 115 - HG12 ILE 80 OK 16 44 - 37 - 585/1.8=6, 4097/2.1=5...(10) H ILE 80 - HB2 GLU 73 OK 15 63 - 25 - 5713/1.8=3, 5711/3.0=3...(14) H SER 74 - HG12 ILE 80 OK 14 65 - 22 - 348=5, 3.6/3908=4...(7) H THR 62 - HB2 GLU 73 poor 9 87 - 10 - 5711/3.0=2, 5713/1.8=2...(5) H GLY 125 - HB2 GLU 73 lone 7 78 - 8 - 346/4.1=2, 348=2...(4) H VAL 115 - HB2 GLU 73 lone 5 78 - 6 - 5711/3.0=1, 1476/4.1=1 H GLY 125 - HG12 ILE 80 lone 3 44 - 6 - 643/1.8=2 H THR 62 - HG12 ILE 80 lone 2 50 - 3 - ~7409=1 Peak 5713 from cnoeabs.peaks (8.35, 1.91, 29.69 ppm; 4.40 A): 1 out of 10 assignments used, quality = 1.00: * H SER 74 + HB3 GLU 73 OK 100 100 - 100 - 4.2=100 H THR 62 - HB2 ARG 81 OK 31 85 - 37 - 7098/1.8=6, 1063/3.0=6...(12) H ILE 80 - HB2 ARG 81 OK 29 61 - 47 - 4.7/4112=19, 1676/4.3=10...(10) H SER 74 - HB2 ARG 81 OK 22 99 - 22 - 349=5, 3.6/3919=5...(7) H ILE 80 - HB3 GLU 73 OK 20 63 - 33 - 4.7/4112=6, 4.0/7438=4...(14) H THR 62 - HB3 GLU 73 OK 12 87 - 13 - 5711/3.0=2, 5712/1.8=2...(7) H VAL 115 - HB2 ARG 81 poor 9 76 - 12 - 383/4.0=4, 1676/4.3=2, 582/1.8=1 H GLY 125 - HB3 GLU 73 lone 7 78 - 9 - 346/4.1=2, 348/1.8=2...(4) H VAL 115 - HB3 GLU 73 lone 7 78 - 8 - 5711/3.0=2, 1476/4.1=1 H GLY 125 - HB2 ARG 81 lone 4 76 - 5 - 3.6/7450=1 Peak 5714 from cnoeabs.peaks (8.35, 1.84, 35.91 ppm; 5.07 A): 2 out of 15 assignments used, quality = 1.00: * H SER 74 + HG2 GLU 73 OK 100 100 - 100 - 4.9=100 H SER 74 + HG3 GLU 73 OK 100 100 - 100 - 4.9=100 H SER 74 - HG2 GLU 75 OK 33 69 - 47 - 352/5.1=20, 7297/1.8=10...(10) H THR 62 - HG2 GLU 73 OK 14 87 - 16 - 7097=3, 7097/1.8=3...(6) H THR 62 - HG3 GLU 73 OK 14 87 - 16 - 7097=3, 7097/1.8=3...(6) H ILE 80 - HG2 GLU 73 OK 14 63 - 22 - 5711/4.1=3, 5713/2.9=3...(9) H ILE 80 - HG3 GLU 73 OK 14 63 - 22 - 5711/4.1=3, 5713/2.9=3...(9) H GLY 125 - HG2 GLU 73 poor 8 78 - 10 - 346/5.1=2, 5711/4.1=2...(4) H GLY 125 - HG3 GLU 73 lone 8 78 - 10 - 346/5.1=2, 5711/4.1=2...(4) H VAL 115 - HG2 GLU 73 lone 6 78 - 7 - 5711/4.1=2, 1476/5.1=1...(4) H VAL 115 - HG3 GLU 73 lone 6 78 - 7 - 5711/4.1=2, 1476/5.1=1...(4) H VAL 115 - HG2 GLU 75 lone 3 47 - 7 - 352/5.1=2, 1771/3.6=2, 586/1.8=1 H ILE 80 - HG2 GLU 75 lone 3 36 - 8 - 352/5.1=3, 7406/3.0=1 H GLY 125 - HG2 GLU 75 lone 3 47 - 6 - 352/5.1=3 H THR 62 - HG2 GLU 75 lone 2 54 - 4 - 352/5.1=1 Peak 5716 from cnoeabs.peaks (7.40, 3.95, 61.57 ppm; 4.88 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 75 + HA SER 74 OK 100 100 - 100 - 3.6=100 H LYS 32 - HA SER 74 OK 27 90 - 30 - 4.0/7302=4, 5.0/6087=3...(12) H SER 72 - HA SER 74 OK 21 76 - 28 - 1477/2.9=9, 7287/4.7=6...(7) HD21 ASN 79 - HA SER 74 OK 19 97 - 19 - 3948/4.7=6, 1477/2.9=2...(6) H PHE 96 - HA SER 74 lone 7 100 - 7 - 3948/4.7=2, 1477/2.9=1 HE21 GLN 16 - HA SER 74 lone 2 73 - 2 - Peak 5717 from cnoeabs.peaks (7.40, 3.78, 62.01 ppm; 3.96 A): 2 out of 12 assignments used, quality = 0.97: H GLU 75 + HB3 SER 74 OK 82 100 - 82 - 4.6=64, 352/4.0=16...(10) * H GLU 75 + HB2 SER 74 OK 82 100 - 82 - 4.6=64, 352/4.0=16...(10) H SER 72 - HB3 SER 74 OK 17 76 - 23 - 1477/4.0=5, 3.9/3904=3...(8) H SER 72 - HB2 SER 74 OK 17 76 - 23 - 1477/4.0=5, 3.9/3904=3...(8) H LYS 32 - HB3 SER 74 lone 8 90 - 9 - 5716/3.0=3, 1477/4.0=1 H LYS 32 - HB2 SER 74 lone 8 90 - 9 - 5716/3.0=3, 1477/4.0=1 HD21 ASN 79 - HB3 SER 74 lone 7 97 - 7 - 5716/3.0=2, 1477/4.0=1 HD21 ASN 79 - HB2 SER 74 lone 7 97 - 7 - 5716/3.0=2, 1477/4.0=1 H PHE 96 - HB3 SER 74 lone 3 100 - 3 - H PHE 96 - HB2 SER 74 lone 3 100 - 3 - HE21 GLN 16 - HB2 SER 74 lone 1 73 - 1 - HE21 GLN 16 - HB3 SER 74 lone 1 73 - 1 - Peak 5718 from cnoeabs.peaks (7.40, 3.78, 62.01 ppm; 3.96 A): 2 out of 12 assignments used, quality = 0.97: * H GLU 75 + HB3 SER 74 OK 82 100 - 82 - 4.6=64, 352/4.0=16...(10) H GLU 75 + HB2 SER 74 OK 82 100 - 82 - 4.6=64, 352/4.0=16...(10) H SER 72 - HB3 SER 74 OK 17 76 - 23 - 1477/4.0=5, 3.9/3904=3...(8) H SER 72 - HB2 SER 74 OK 17 76 - 23 - 1477/4.0=5, 3.9/3904=3...(8) H LYS 32 - HB3 SER 74 lone 8 90 - 9 - 5716/3.0=3, 1477/4.0=1 H LYS 32 - HB2 SER 74 lone 8 90 - 9 - 5716/3.0=3, 1477/4.0=1 HD21 ASN 79 - HB3 SER 74 lone 7 97 - 7 - 5716/3.0=2, 1477/4.0=1 HD21 ASN 79 - HB2 SER 74 lone 7 97 - 7 - 5716/3.0=2, 1477/4.0=1 H PHE 96 - HB3 SER 74 lone 3 100 - 3 - H PHE 96 - HB2 SER 74 lone 3 100 - 3 - HE21 GLN 16 - HB3 SER 74 lone 1 73 - 1 - HE21 GLN 16 - HB2 SER 74 lone 1 73 - 1 - Peak 5719 from cnoeabs.peaks (7.56, 3.58, 59.35 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * H CYS 76 + HA GLU 75 OK 100 100 - 100 - 3.6=100 H SER 113 - HA GLU 75 OK 40 92 - 43 - 1478/2.9=10, 357=6...(12) HE3 TRP 20 - HA GLU 75 OK 24 93 - 25 - 4.3/8330=6, 5720/3.0=5...(5) H CYS 52 - HA GLU 75 OK 17 99 - 17 - 1478/2.9=3, 5721/3.0=3...(4) Peak 5720 from cnoeabs.peaks (7.56, 1.78, 30.37 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H CYS 76 + HB2 GLU 75 OK 100 100 - 100 - 4.3=100 H SER 113 - HB2 GLU 75 OK 30 92 - 33 - 1478/4.0=9, 5719/3.0=8...(6) HE3 TRP 20 - HB2 GLU 75 OK 29 93 - 32 - 5721/1.8=6, 4641/3.0=5...(9) H CYS 52 - HB2 GLU 75 OK 16 99 - 16 - 5721/1.8=4, 5719/3.0=4...(4) Peak 5721 from cnoeabs.peaks (7.56, 1.45, 30.37 ppm; 5.25 A): 1 out of 4 assignments used, quality = 1.00: * H CYS 76 + HB3 GLU 75 OK 100 100 - 100 - 4.3=100 H SER 113 - HB3 GLU 75 OK 32 92 - 35 - 1478/4.0=9, 5719/3.0=8...(7) HE3 TRP 20 - HB3 GLU 75 OK 29 93 - 31 - 5720/1.8=7, 4641/3.0=5...(9) H CYS 52 - HB3 GLU 75 OK 17 99 - 17 - 5720/1.8=4, 5719/3.0=4...(4) Peak 5724 from cnoeabs.peaks (8.51, 4.36, 62.51 ppm; 4.71 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 77 + HA CYS 76 OK 100 100 - 100 - 3.6=100 H GLU 38 - HA CYS 76 OK 36 97 - 38 - 1479/2.9=6, 5726/3.0=5...(11) H PHE 40 - HA CYS 76 OK 23 81 - 28 - 4.6/6099=3, 5726/3.0=3...(12) H LYS 31 - HA CYS 76 OK 13 95 - 13 - 4.6/7330=3, 1479/2.9=3...(4) H SER 13 - HA CYS 76 OK 12 98 - 13 - 5725/3.0=3, 5726/3.0=2...(4) H LEU 84 - HA CYS 76 OK 10 93 - 11 - 4.6/6100=3, 1661/6100=2...(5) H GLU 28 - HA CYS 76 poor 10 97 - 10 - 1479/2.9=2, 5725/3.0=1 H GLY 2 - HA CYS 76 lone 3 78 - 3 - Peak 5725 from cnoeabs.peaks (8.51, 2.82, 27.90 ppm; 4.69 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 77 + HB2 CYS 76 OK 100 100 - 100 - 4.7=100 H GLU 38 - HB2 CYS 76 OK 27 97 - 28 - 5726/1.8=6, 5724/3.0=6...(6) H PHE 40 - HB2 CYS 76 OK 16 81 - 20 - 5726/1.8=4, 5724/3.0=4...(6) H SER 13 - HB2 CYS 76 OK 14 98 - 14 - 5726/1.8=3, 4.6/7327=3...(6) H LYS 31 - HB2 CYS 76 OK 10 95 - 11 - 1479/4.0=2, 5726/1.8=2 H GLU 28 - HB2 CYS 76 lone 8 97 - 9 - 5726/1.8=2, 5724/3.0=2 H LEU 84 - HB2 CYS 76 lone 7 93 - 8 - 5724/3.0=2, 5726/1.8=2 H GLY 2 - HB2 CYS 76 lone 2 78 - 3 - Peak 5726 from cnoeabs.peaks (8.51, 3.11, 27.90 ppm; 4.23 A): 3 out of 8 assignments used, quality = 0.90: * H LEU 77 + HB3 CYS 76 OK 85 100 - 85 - 4.7=75, 364/1.8=22...(5) H GLU 38 + HB3 CYS 76 OK 21 97 - 22 - 5725/1.8=5, 5724/3.0=5...(5) H PHE 40 + HB3 CYS 76 OK 14 81 - 17 - 5724/3.0=3, 5725/1.8=3...(7) H SER 13 - HB3 CYS 76 lone 9 98 - 9 - 5725/1.8=3, 5724/3.0=2...(5) H LYS 31 - HB3 CYS 76 lone 7 95 - 7 - 1479/4.0=2, 5725/1.8=2 H GLU 28 - HB3 CYS 76 lone 6 97 - 6 - 5725/1.8=1, 5724/3.0=1 H LEU 84 - HB3 CYS 76 lone 5 93 - 6 - 5724/3.0=1, 5725/1.8=1 H GLY 2 - HB3 CYS 76 lone 2 78 - 2 - Peak 5727 from cnoeabs.peaks (8.07, 3.84, 57.64 ppm; 4.88 A): 1 out of 6 assignments used, quality = 1.00: * H SER 78 + HA LEU 77 OK 100 100 - 100 - 3.6=100 H LEU 24 - HA LEU 77 OK 39 92 - 42 - 5730/3.7=7, 1480/3.0=6...(10) H THR 33 - HA LEU 77 OK 23 63 - 36 - 5.0/3992=4, 5730/3.7=3...(17) H GLN 105 - HA LEU 77 OK 21 92 - 23 - 1480/3.0=4, 522=3...(10) H GLY 39 - HA LEU 77 OK 21 76 - 28 - 1480/3.0=5, 4.6/3990=4...(10) H GLN 42 - HA LEU 77 OK 20 85 - 23 - 1480/3.0=4, 5728/3.0=4...(8) Peak 5728 from cnoeabs.peaks (8.07, 1.19, 41.21 ppm; 5.01 A): 2 out of 12 assignments used, quality = 1.00: * H SER 78 + HB2 LEU 77 OK 100 100 - 100 - 4.3=100 H LEU 24 + HB2 LEU 77 OK 50 92 - 55 - 5730/3.0=8, 5732/3.1=7...(18) H GLN 42 - HB2 LEU 77 OK 36 85 - 42 - 4.2/6749=5, 4.9/8267=5...(13) H THR 33 - HB2 LEU 77 OK 26 63 - 42 - 5730/3.0=4, 5727/3.0=3...(18) H GLY 39 - HB2 LEU 77 OK 20 76 - 26 - 1480/4.0=4, 4.6/3997=3...(8) H GLN 105 - HB2 LEU 77 OK 19 92 - 20 - 1480/4.0=3, 5727/3.0=3...(6) H SER 78 - HB3 LEU 111 OK 18 55 - 33 - 1657/3.0=5, 368=5...(8) H GLN 42 - HB3 LEU 111 OK 17 40 - 41 - 1591/3.0=9, 3.6/6748=6...(10) H LEU 24 - HB3 LEU 111 poor 7 45 - 15 - 3.0/2197=2, 862=1...(6) H THR 33 - HB3 LEU 111 poor 4 28 - 16 - 3.6/2489=2, 4.6/905=1...(8) H GLY 39 - HB3 LEU 111 poor 4 35 - 13 - ~4998=2, 4.6/3997=1, ~5019=1 H GLN 105 - HB3 LEU 111 lone 2 45 - 3 - Peak 5729 from cnoeabs.peaks (8.07, 1.71, 41.21 ppm; 4.38 A): 1 out of 12 assignments used, quality = 1.00: * H SER 78 + HB3 LEU 77 OK 100 100 - 100 - 4.3=100 H LEU 24 - HB3 LEU 77 OK 35 92 - 39 - 862/3.0=6, 5732/3.1=5...(11) H SER 78 - HB3 LEU 55 OK 29 94 - 32 - 369=8, 3.6/3993=7...(8) H GLN 42 - HB3 LEU 77 OK 24 85 - 28 - 5728/1.8=4, 5731/3.1=3...(13) H THR 33 - HB3 LEU 77 OK 18 63 - 28 - 4.6/120=3, 5730/3.0=3...(14) H GLY 39 - HB3 LEU 77 OK 15 76 - 19 - 1480/4.0=3, 5727/3.0=3...(8) H GLN 105 - HB3 LEU 77 OK 14 92 - 16 - 1480/4.0=3, 5727/3.0=3...(6) H GLN 42 - HB3 LEU 55 lone 7 75 - 10 - 170/1.8=2, 4.2/3229=1, 174/3.1=1 H LEU 24 - HB3 LEU 55 lone 7 82 - 8 - 3.6/6090=1 H GLY 39 - HB3 LEU 55 lone 5 66 - 7 - 4.6/4004=1 H THR 33 - HB3 LEU 55 lone 4 54 - 8 - 4.6/120=3 H GLN 105 - HB3 LEU 55 lone 3 82 - 4 - Peak 5730 from cnoeabs.peaks (8.07, 1.23, 26.67 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.94: * H SER 78 + HG LEU 77 OK 86 100 - 86 - 369/3.0=27, 371/2.1=25...(11) H LEU 24 + HG LEU 77 OK 59 92 - 64 - 5732/2.1=9, 5731/2.1=8...(17) H THR 33 - HG LEU 77 OK 29 63 - 47 - 5731/2.1=4, 5.0/4013=4...(19) H GLN 42 - HG LEU 77 OK 26 85 - 30 - 5731/2.1=4, 5728/3.0=4...(10) H GLN 105 - HG LEU 77 OK 20 92 - 22 - 5731/2.1=4, 5732/2.1=3...(7) H GLY 39 - HG LEU 77 OK 20 76 - 26 - 5731/2.1=4, 1480/5.0=4...(8) Peak 5731 from cnoeabs.peaks (8.07, 0.57, 22.68 ppm; 4.88 A): 2 out of 6 assignments used, quality = 0.92: * H SER 78 + QD2 LEU 77 OK 86 100 - 86 - 371=30, 3.6/3995=26...(10) H LEU 24 + QD2 LEU 77 OK 42 92 - 46 - 5730/2.1=9, 5732/2.1=8...(10) H GLN 42 - QD2 LEU 77 OK 22 85 - 26 - 5730/2.1=4, 5728/3.1=4...(8) H THR 33 - QD2 LEU 77 OK 21 63 - 34 - 5730/2.1=4, 2.9/4019=3...(15) H GLN 105 - QD2 LEU 77 OK 20 92 - 21 - 7765/7336=3, 5732/2.1=3...(8) H GLY 39 - QD2 LEU 77 OK 18 76 - 24 - 1480/4.7=4, 5732/2.1=3...(8) Peak 5732 from cnoeabs.peaks (8.07, 0.69, 25.71 ppm; 4.82 A): 3 out of 12 assignments used, quality = 0.92: * H SER 78 + QD1 LEU 77 OK 80 100 - 80 - 369/3.1=24, 371/2.1=23...(11) H LEU 24 + QD1 LEU 77 OK 48 92 - 52 - 5730/2.1=8, 5731/2.1=7...(16) H GLN 42 + QD1 LEU 77 OK 21 85 - 25 - 5731/2.1=4, 5730/2.1=4...(7) H THR 33 - QD1 LEU 77 OK 20 63 - 32 - 5730/2.1=4, 5731/2.1=4...(14) H GLY 39 - QD1 LEU 77 OK 18 76 - 24 - 1480/4.7=3, 5731/2.1=3...(8) H GLN 105 - QD1 LEU 77 OK 18 92 - 19 - 5731/2.1=4, 5730/2.1=3...(6) H SER 78 - QD2 LEU 54 OK 14 57 - 25 - 372=5, 3.6/3996=4...(8) H GLY 39 - QD2 LEU 54 poor 4 36 - 10 - 153/4.0=2, 7384=1, 4.6/4025=1 H LEU 24 - QD2 LEU 54 lone 3 47 - 7 - 3.9/4029=3 H GLN 42 - QD2 LEU 54 lone 2 42 - 6 - 1593/4.0=1 H THR 33 - QD2 LEU 54 lone 2 29 - 7 - 133/2.1=2 H GLN 105 - QD2 LEU 54 lone 2 47 - 3 - Peak 5733 from cnoeabs.peaks (7.84, 4.17, 62.18 ppm; 4.62 A): 1 out of 12 assignments used, quality = 1.00: * H ASN 79 + HA SER 78 OK 100 100 - 100 - 3.6=100 H PHE 83 - HA SER 78 OK 39 99 - 40 - 1681/8658=8, 1481/2.9=6...(16) H GLY 25 - HA SER 78 OK 19 81 - 24 - 1481/2.9=7, 5734/3.0=4...(9) HD21 ASN 99 - HA SER 78 OK 15 97 - 15 - 1481/2.9=4, 5734/3.0=4...(5) H PHE 83 - HA ILE 124 OK 11 59 - 19 - 1177=2, 7465/3.2=2...(9) H ASN 79 - HA ILE 124 poor 9 62 - 15 - 7372/4.2=2, 374=2...(8) H GLY 88 - HA SER 78 lone 7 78 - 9 - 1481/2.9=1, 3.0/7555=1...(4) H GLY 88 - HA ILE 124 poor 5 42 - 12 - 7552/3.2=3, 4.7/1703=3 H GLY 25 - HA ILE 124 lone 2 43 - 5 - HD21 ASN 99 - HA ILE 124 lone 2 57 - 3 - HD21 ASN 106 - HA SER 78 lone 1 63 - 2 - HD21 ASN 106 - HA ILE 124 lone 1 32 - 3 - 7796/4.0=1 Peak 5734 from cnoeabs.peaks (7.84, 4.30, 62.60 ppm; 4.29 A): 1 out of 6 assignments used, quality = 0.93: * H ASN 79 + HB2 SER 78 OK 93 100 - 93 - 4.5=87, 5735/1.8=23...(6) H PHE 83 - HB2 SER 78 OK 21 99 - 21 - 5735/1.8=6, 5733/3.0=5...(5) H GLY 25 - HB2 SER 78 OK 15 81 - 19 - 1481/3.9=6, 5735/1.8=4...(7) HD21 ASN 99 - HB2 SER 78 OK 15 97 - 16 - 5735/1.8=4, 1481/3.9=3...(6) H GLY 88 - HB2 SER 78 lone 4 78 - 5 - 5735/1.8=1, 1481/3.9=1 HD21 ASN 106 - HB2 SER 78 lone 1 63 - 2 - Peak 5735 from cnoeabs.peaks (7.84, 4.13, 62.60 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.95: * H ASN 79 + HB3 SER 78 OK 95 100 - 95 - 4.5=87, 375/1.8=26...(7) H PHE 83 - HB3 SER 78 OK 26 99 - 26 - 5734/1.8=5, 1481/3.9=4...(9) H GLY 25 - HB3 SER 78 OK 16 81 - 19 - 1481/3.9=6, 5734/1.8=4...(6) HD21 ASN 99 - HB3 SER 78 OK 15 97 - 15 - 5734/1.8=4, 1481/3.9=3...(5) H GLY 88 - HB3 SER 78 lone 4 78 - 5 - 5734/1.8=1, 1481/3.9=1 HD21 ASN 106 - HB3 SER 78 lone 1 63 - 2 - Peak 5736 from cnoeabs.peaks (8.37, 4.55, 55.18 ppm; 5.37 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 80 + HA ASN 79 OK 100 100 - 100 - 3.5=100 H THR 95 - HA ASN 79 OK 42 71 - 59 - 4.1/4547=10, 4.0/4551=9...(13) H VAL 115 - HA ASN 79 OK 32 99 - 32 - 4062/4.9=11, 1482/3.0=9...(6) H SER 74 - HA ASN 79 OK 10 63 - 17 - 4.7/4048=6, 1482/3.0=3...(6) Peak 5737 from cnoeabs.peaks (8.37, 2.84, 37.82 ppm; 5.32 A): 1 out of 12 assignments used, quality = 1.00: * H ILE 80 + HB2 ASN 79 OK 100 100 - 100 - 4.5=100 H ILE 80 - HB2 TYR 67 OK 39 100 - 39 - 3.5/4046=7, 4.5/4058=7...(10) H ILE 80 - HB3 TYR 67 OK 39 100 - 39 - 3.5/4046=7, 4.5/4058=7...(10) H THR 95 - HB2 ASN 79 OK 37 71 - 53 - 5738/1.8=9, ~4544=9...(11) H VAL 115 - HB2 ASN 79 OK 35 99 - 36 - 5738/1.8=8, 1482/3.9=8...(10) H SER 74 - HB2 ASN 79 OK 13 63 - 20 - 4.7/7306=6, 1482/3.9=3...(7) H VAL 115 - HB2 TYR 67 lone 9 99 - 9 - H VAL 115 - HB3 TYR 67 lone 9 99 - 9 - H THR 95 - HB2 TYR 67 poor 7 70 - 11 - 4.6/4054=2, 1245/4.8=1 H THR 95 - HB3 TYR 67 poor 7 70 - 11 - 4.6/4054=2, 1245/4.8=1 H SER 74 - HB3 TYR 67 poor 7 62 - 11 - 4.7/7306=7, 3.6/6080=1 H SER 74 - HB2 TYR 67 poor 7 62 - 11 - 4.7/7306=7, 3.6/6080=1 Peak 5738 from cnoeabs.peaks (8.37, 3.88, 37.82 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 80 + HB3 ASN 79 OK 100 100 - 100 - 4.5=100 H THR 95 - HB3 ASN 79 OK 37 71 - 53 - 3.0/4544=10, 4.0/4552=8...(12) H VAL 115 - HB3 ASN 79 OK 31 99 - 31 - 1482/3.9=7, 5736/3.0=5...(9) H SER 74 - HB3 ASN 79 poor 9 63 - 15 - 4.7/4060=5, 1482/3.9=2...(6) Peak 5739 from cnoeabs.peaks (9.06, 3.64, 66.48 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + HA ILE 80 OK 100 100 - 100 - 3.6=100 Peak 5740 from cnoeabs.peaks (9.06, 1.92, 39.17 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.95: * H ARG 81 + HB ILE 80 OK 95 100 - 95 - 4.4=80, 1483/3.9=27...(20) Peak 5741 from cnoeabs.peaks (9.06, 1.27, 19.03 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + QG2 ILE 80 OK 100 100 - 100 - 4.4=100 Peak 5744 from cnoeabs.peaks (9.06, 1.27, 14.08 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.87: * H ARG 81 + QD1 ILE 80 OK 87 100 - 87 - 5740/3.2=36, 1483/4.9=27...(20) Peak 5745 from cnoeabs.peaks (8.45, 3.99, 60.41 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 82 + HA ARG 81 OK 100 100 - 100 - 3.6=100 H ILE 63 + HA ARG 81 OK 62 98 - 63 - 289=14, 1484/2.9=9...(16) H GLN 16 - HA ARG 81 OK 22 100 - 22 - 1484/2.9=5, 4.6/6138=4...(6) H LEU 51 - HA ARG 81 OK 15 73 - 21 - 3.9/7435=5, 4.8/7434=4...(5) Peak 5746 from cnoeabs.peaks (8.45, 1.91, 29.62 ppm; 4.82 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 82 + HB2 ARG 81 OK 100 100 - 100 - 4.3=100 H ILE 63 + HB2 ARG 81 OK 54 98 - 56 - 289/3.0=11, 5747/1.8=8...(16) H GLU 82 - HB3 GLU 73 OK 22 99 - 23 - 4.6/4112=7, 3.6/4113=5...(5) H GLN 16 - HB2 ARG 81 OK 16 100 - 16 - 1484/4.0=4, 5745/3.0=4 H ILE 63 - HB3 GLU 73 OK 13 97 - 13 - 288/4.2=2, 3.6/4113=1 H LEU 51 - HB2 ARG 81 OK 12 73 - 16 - 3.9/8536=3, 1484/4.0=3...(5) H LEU 51 - HB3 GLU 73 lone 6 71 - 8 - 3.6/3049=1 H GLN 16 - HB3 GLU 73 lone 3 99 - 3 - Peak 5747 from cnoeabs.peaks (8.45, 2.05, 29.62 ppm; 4.54 A): 2 out of 12 assignments used, quality = 1.00: * H GLU 82 + HB3 ARG 81 OK 100 100 - 100 - 4.3=100 H ILE 63 + HB3 ARG 81 OK 55 98 - 56 - 289/3.0=10, 5746/1.8=9...(18) H ILE 63 - HB2 GLU 56 OK 44 90 - 49 - 8302/3.0=13, 8303/3.0=12...(16) H GLU 82 - HB2 GLU 56 OK 30 94 - 32 - 8302/3.0=9, 8303/3.0=5...(6) H GLN 16 - HB2 GLU 56 OK 14 93 - 15 - 8303/3.0=5, 8302/3.0=3...(4) H GLN 16 - HB3 ARG 81 OK 14 100 - 14 - 1484/4.0=4, 5745/3.0=3 H LEU 51 - HB2 GLU 56 poor 8 64 - 12 - 8303/3.0=2, 8302/3.0=2...(4) H GLN 16 - HB2 GLN 105 poor 8 38 - 20 - 814/3.0=5, 814/3.0=4...(7) H LEU 51 - HB3 ARG 81 poor 7 73 - 10 - 1484/4.0=3, 5745/3.0=2 H ILE 63 - HB2 GLN 105 poor 4 36 - 11 - 1071/1.8=1, 7134/3.0=1 H GLU 82 - HB2 GLN 105 lone 1 38 - 3 - H LEU 51 - HB2 GLN 105 lone 0 23 - 1 - Peak 5752 from cnoeabs.peaks (7.84, 4.54, 58.64 ppm; 4.73 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 83 + HA GLU 82 OK 100 100 - 100 - 3.6=100 H ASN 79 + HA GLU 82 OK 67 99 - 68 - 1485/2.9=14, ~6119=13...(19) HD21 ASN 99 - HA GLU 82 OK 15 85 - 18 - 672=3, 1485/2.9=3...(6) H GLY 88 - HA GLU 82 OK 12 93 - 13 - 1699/6145=3, 1691/6140=2...(4) H GLY 25 - HA GLU 82 lone 3 60 - 6 - 6481/6140=1 Peak 5753 from cnoeabs.peaks (7.84, 2.34, 28.65 ppm; 4.53 A): 4 out of 15 assignments used, quality = 1.00: * H PHE 83 + HB2 GLU 82 OK 100 100 - 100 - 4.3=100 H PHE 83 + HB3 GLU 82 OK 100 100 - 100 - 4.3=100 H ASN 79 + HB2 GLU 82 OK 56 99 - 57 - 3.0/6122=12, 1485/3.7=12...(14) H ASN 79 + HB3 GLU 82 OK 56 99 - 57 - 3.0/6122=12, 1485/3.7=12...(14) H ASN 79 - HG2 PRO 70 OK 29 96 - 31 - 3.0/6120=9, 1663/2.3=7...(6) H PHE 83 - HG2 PRO 70 OK 15 98 - 15 - 3.6/4163=4, 401=3...(5) HD21 ASN 99 - HB3 GLU 82 poor 10 85 - 12 - 5752/3.0=2, 1485/3.7=2, ~678=1 HD21 ASN 99 - HB2 GLU 82 poor 10 85 - 12 - 5752/3.0=2, 1485/3.7=2, ~678=1 H GLY 88 - HB2 GLU 82 lone 6 93 - 7 - 5752/3.0=2, 1485/3.7=2 H GLY 88 - HB3 GLU 82 lone 6 93 - 7 - 5752/3.0=2, 1485/3.7=2 HD21 ASN 99 - HG2 PRO 70 lone 6 80 - 7 - H GLY 88 - HG2 PRO 70 lone 3 89 - 4 - H GLY 25 - HB3 GLU 82 lone 2 60 - 3 - H GLY 25 - HB2 GLU 82 lone 2 60 - 3 - H GLY 25 - HG2 PRO 70 lone 1 56 - 2 - Peak 5754 from cnoeabs.peaks (7.84, 2.34, 28.65 ppm; 4.53 A): 4 out of 15 assignments used, quality = 1.00: H PHE 83 + HB2 GLU 82 OK 100 100 - 100 - 4.3=100 * H PHE 83 + HB3 GLU 82 OK 100 100 - 100 - 4.3=100 H ASN 79 + HB2 GLU 82 OK 56 99 - 57 - 3.0/6122=12, 1485/3.7=12...(14) H ASN 79 + HB3 GLU 82 OK 56 99 - 57 - 3.0/6122=12, 1485/3.7=12...(14) H ASN 79 - HG2 PRO 70 OK 29 96 - 31 - 3.0/6120=9, 1663/2.3=7...(6) H PHE 83 - HG2 PRO 70 OK 15 98 - 15 - 3.6/4163=4, 401=3...(5) HD21 ASN 99 - HB3 GLU 82 poor 10 85 - 12 - 5752/3.0=2, 1485/3.7=2, ~678=1 HD21 ASN 99 - HB2 GLU 82 poor 10 85 - 12 - 5752/3.0=2, 1485/3.7=2, ~678=1 H GLY 88 - HB2 GLU 82 lone 6 93 - 7 - 5752/3.0=2, 1485/3.7=2 H GLY 88 - HB3 GLU 82 lone 6 93 - 7 - 5752/3.0=2, 1485/3.7=2 HD21 ASN 99 - HG2 PRO 70 lone 6 80 - 7 - H GLY 88 - HG2 PRO 70 lone 3 89 - 4 - H GLY 25 - HB3 GLU 82 lone 2 60 - 3 - H GLY 25 - HB2 GLU 82 lone 2 60 - 3 - H GLY 25 - HG2 PRO 70 lone 1 56 - 2 - Peak 5757 from cnoeabs.peaks (8.49, 4.15, 61.33 ppm; 4.65 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 84 + HA PHE 83 OK 100 100 - 100 - 3.6=100 H PHE 40 + HA PHE 83 OK 51 99 - 52 - 1581=9, 941/3.7=8...(10) H GLU 28 - HA PHE 83 OK 36 100 - 36 - 1486/3.0=6, 882=5...(12) H TYR 102 - HA PHE 83 OK 14 89 - 15 - 1486/3.0=2, 1734=2...(7) H LEU 77 - HA PHE 83 OK 12 93 - 13 - 1486/3.0=3, 4.5/1146=2...(4) H GLU 38 - HA PHE 83 poor 7 71 - 11 - 145=1, 1486/3.0=1 H LYS 31 - HA PHE 83 lone 7 100 - 7 - 1486/3.0=1, 5758/3.0=1 H SER 13 - HA PHE 83 lone 6 100 - 6 - H GLY 2 - HA PHE 83 lone 3 99 - 3 - Peak 5758 from cnoeabs.peaks (8.49, 3.52, 38.12 ppm; 4.59 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 84 + HB2 PHE 83 OK 100 100 - 100 - 4.5=100 H PHE 40 - HB2 PHE 83 OK 37 99 - 37 - 941/2.5=10, 5759/1.8=7...(6) H GLU 28 - HB2 PHE 83 OK 23 100 - 23 - 5759/1.8=5, 5757/3.0=5...(5) H TYR 102 - HB2 PHE 83 lone 9 89 - 10 - 5759/1.8=2, 1486/4.0=2...(4) H LEU 77 - HB2 PHE 83 lone 8 93 - 9 - 1486/4.0=2, 5759/1.8=2 H LYS 31 - HB2 PHE 83 lone 6 100 - 6 - 5759/1.8=1 H GLU 38 - HB2 PHE 83 lone 5 71 - 8 - 3.6/4198=2, 5759/1.8=1 H SER 13 - HB2 PHE 83 lone 5 100 - 4 - H GLY 2 - HB2 PHE 83 lone 3 99 - 3 - Peak 5759 from cnoeabs.peaks (8.49, 3.21, 38.12 ppm; 4.48 A): 1 out of 9 assignments used, quality = 0.98: * H LEU 84 + HB3 PHE 83 OK 98 100 - 98 - 4.5=95, 410/2.5=18...(11) H PHE 40 - HB3 PHE 83 OK 36 99 - 36 - 941/2.5=9, 5758/1.8=7...(6) H GLU 28 - HB3 PHE 83 OK 24 100 - 24 - 5757/3.0=5, 1486/4.0=4...(7) H TYR 102 - HB3 PHE 83 poor 9 89 - 10 - 4.9/7703=2, 1486/4.0=2...(4) H LEU 77 - HB3 PHE 83 lone 8 93 - 9 - 1486/4.0=2, 5758/1.8=2 H LYS 31 - HB3 PHE 83 lone 6 100 - 6 - 5758/1.8=1 H GLU 38 - HB3 PHE 83 lone 5 71 - 7 - 3.6/4205=2, 5758/1.8=1 H SER 13 - HB3 PHE 83 lone 4 100 - 4 - H GLY 2 - HB3 PHE 83 lone 3 99 - 3 - Peak 5763 from cnoeabs.peaks (8.75, 3.50, 57.68 ppm; 4.79 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 85 + HA LEU 84 OK 100 100 - 100 - 3.6=100 H THR 23 + HA LEU 84 OK 65 100 - 65 - 5765/3.0=12, 1487/2.9=11...(18) H GLU 15 - HA LEU 84 OK 19 76 - 25 - 1487/2.9=5, 5765/3.0=4...(8) Peak 5764 from cnoeabs.peaks (8.75, 1.90, 41.31 ppm; 4.76 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 85 + HB2 LEU 84 OK 100 100 - 100 - 4.3=100 H THR 23 + HB2 LEU 84 OK 68 100 - 68 - 5765/1.8=14, 5763/3.0=11...(16) H THR 23 - HB2 LEU 21 OK 35 64 - 55 - 1569/3.8=24, 1437/4.6=18...(8) H GLU 15 - HB2 LEU 84 OK 21 76 - 28 - 5765/1.8=5, 1487/4.0=4...(8) H ARG 85 - HB2 LEU 21 OK 19 64 - 30 - 1437/4.6=10, 1562/3.8=8...(6) H GLU 15 - HB2 LEU 21 lone 4 41 - 9 - 1562/3.8=2, 1437/4.6=2 Peak 5765 from cnoeabs.peaks (8.75, 1.31, 41.31 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 85 + HB3 LEU 84 OK 100 100 - 100 - 4.3=100 H THR 23 + HB3 LEU 84 OK 67 100 - 67 - 5763/3.0=11, 858=11...(15) H GLU 15 - HB3 LEU 84 OK 22 76 - 29 - 3.6/6295=5, 1487/4.0=4...(9) Peak 5766 from cnoeabs.peaks (8.75, 1.89, 26.06 ppm; 6.11 A): 2 out of 3 assignments used, quality = 0.95: * H ARG 85 + HG LEU 84 OK 80 100 - 80 - 416/2.1=26, 1487/5.2=23...(9) H THR 23 + HG LEU 84 OK 74 100 - 74 - 5767/2.1=17, 5765/3.0=16...(16) H GLU 15 - HG LEU 84 OK 27 76 - 35 - 5768/2.1=7, 5767/2.1=6...(7) Peak 5767 from cnoeabs.peaks (8.75, 0.14, 20.83 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.95: * H ARG 85 + QD2 LEU 84 OK 85 100 - 85 - 3.6/4237=29, 416=27...(12) H THR 23 + QD2 LEU 84 OK 68 100 - 68 - 5765/3.1=14, 5766/2.1=14...(16) H GLU 15 - QD2 LEU 84 OK 24 76 - 32 - 5768/2.1=6, 5766/2.1=5...(9) Peak 5768 from cnoeabs.peaks (8.75, 0.75, 25.87 ppm; 5.50 A): 3 out of 6 assignments used, quality = 0.94: * H ARG 85 + QD1 LEU 84 OK 77 100 - 77 - 416/2.1=25, 1487/4.6=22...(10) H THR 23 + QD1 LEU 84 OK 65 100 - 65 - 5767/2.1=15, 5765/3.1=14...(13) H GLU 15 + QD1 LEU 84 OK 29 76 - 39 - 3.7/6305=6, 3.6/6298=6...(10) H ARG 85 - QD1 LEU 114 OK 17 66 - 26 - 4.3/4252=4, 417=4...(9) H THR 23 - QD1 LEU 114 lone 6 65 - 10 - 77/2.1=3 H GLU 15 - QD1 LEU 114 lone 3 42 - 8 - Peak 5769 from cnoeabs.peaks (8.56, 3.93, 58.86 ppm; 4.20 A): 1 out of 6 assignments used, quality = 1.00: * H GLY 86 + HA ARG 85 OK 100 100 - 100 - 3.6=100 H LEU 41 - HA ARG 85 OK 21 87 - 24 - 1488/3.0=5, 6149/4.8=3...(9) H GLU 94 - HA ARG 85 OK 15 83 - 18 - 1488/3.0=3, 1240/3.0=3...(6) H ILE 34 - HA ARG 85 OK 10 63 - 17 - 3.9/4279=4, 1488/3.0=2...(6) H VAL 18 - HA ARG 85 poor 10 65 - 15 - 3.0/7494=4, 1488/3.0=3...(4) H ARG 53 - HA ARG 85 lone 8 90 - 9 - 1488/3.0=2, 6149/4.8=1 Peak 5770 from cnoeabs.peaks (8.56, 1.95, 29.17 ppm; 3.37 A): 3 out of 24 assignments used, quality = 0.89: * H GLY 86 + HB2 ARG 85 OK 60 100 - 61 - 4.7=38, 418/4.0=11...(8) H GLY 86 + HB3 ARG 85 OK 60 100 - 61 - 4.7=38, 418/4.0=11...(8) H GLU 94 + HB3 GLU 94 OK 31 41 - 76 - 4.0=58, 1239/1.8=13...(12) H GLU 94 - HB2 ARG 85 OK 14 83 - 17 - 1240=3, 1240/1.8=2...(7) H GLU 94 - HB3 ARG 85 OK 14 83 - 17 - 1240=3, 1240/1.8=2...(7) H LEU 41 - HB2 GLU 38 OK 13 85 - 16 - 1586/3.0=7, 1585/4.4=5...(4) H LEU 41 - HB2 ARG 85 OK 13 87 - 15 - 1488/4.0=3, 5769/3.0=2...(5) H LEU 41 - HB3 ARG 85 OK 13 87 - 15 - 1488/4.0=3, 5769/3.0=2...(5) H GLU 94 - HB2 GLU 38 OK 11 81 - 14 - 1240=3, 6004/3.0=2...(6) H GLY 86 - HB2 GLU 38 lone 9 99 - 9 - 420=2, 1696/3.8=1, 6004/3.0=1 H ILE 34 - HB2 ARG 85 poor 8 63 - 13 - 4.6/8488=1, 5.0/6648=1...(7) H ILE 34 - HB3 ARG 85 poor 8 63 - 13 - 4.6/8488=1, 5.0/6648=1...(7) H VAL 18 - HB2 ARG 85 lone 5 65 - 7 - 1488/4.0=1, 5769/3.0=1, ~7494=1 H VAL 18 - HB3 ARG 85 lone 5 65 - 7 - 1488/4.0=1, 5769/3.0=1, ~7494=1 H ARG 53 - HB2 GLU 38 lone 5 88 - 5 - 6004/3.0=1, 1622/4.4=1 H GLY 86 - HB3 GLU 94 lone 5 58 - 8 - 420=2 H ARG 53 - HB3 GLU 94 lone 4 47 - 9 - 1012/1.8=2, 465/4.7=1 H ARG 53 - HB2 ARG 85 lone 4 90 - 4 - 1488/4.0=1 H ARG 53 - HB3 ARG 85 lone 4 90 - 4 - 1488/4.0=1 H LEU 41 - HB3 GLU 94 lone 3 44 - 8 - 944/1.8=2 H ILE 34 - HB2 GLU 38 lone 2 61 - 3 - H VAL 18 - HB2 GLU 38 lone 1 63 - 1 - H VAL 18 - HB3 GLU 94 lone 0 31 - 1 - H ILE 34 - HB3 GLU 94 lone 0 29 - 1 - Peak 5771 from cnoeabs.peaks (8.56, 1.95, 29.17 ppm; 3.37 A): 3 out of 24 assignments used, quality = 0.89: H GLY 86 + HB2 ARG 85 OK 60 100 - 61 - 4.7=38, 418/4.0=11...(8) * H GLY 86 + HB3 ARG 85 OK 60 100 - 61 - 4.7=38, 418/4.0=11...(8) H GLU 94 + HB3 GLU 94 OK 31 41 - 76 - 4.0=58, 1239/1.8=13...(12) H GLU 94 - HB2 ARG 85 OK 14 83 - 17 - 1240=3, 1240/1.8=2...(7) H GLU 94 - HB3 ARG 85 OK 14 83 - 17 - 1240=3, 1240/1.8=2...(7) H LEU 41 - HB2 GLU 38 OK 13 85 - 16 - 1586/3.0=7, 1585/4.4=5...(4) H LEU 41 - HB2 ARG 85 OK 13 87 - 15 - 1488/4.0=3, 5769/3.0=2...(5) H LEU 41 - HB3 ARG 85 OK 13 87 - 15 - 1488/4.0=3, 5769/3.0=2...(5) H GLU 94 - HB2 GLU 38 OK 11 81 - 14 - 1240=3, 6004/3.0=2...(6) H GLY 86 - HB2 GLU 38 lone 9 99 - 9 - 420=2, 1696/3.8=1, 6004/3.0=1 H ILE 34 - HB2 ARG 85 poor 8 63 - 13 - 4.6/8488=1, 5.0/6648=1...(7) H ILE 34 - HB3 ARG 85 poor 8 63 - 13 - 4.6/8488=1, 5.0/6648=1...(7) H VAL 18 - HB2 ARG 85 lone 5 65 - 7 - 1488/4.0=1, 5769/3.0=1, ~7494=1 H VAL 18 - HB3 ARG 85 lone 5 65 - 7 - 1488/4.0=1, 5769/3.0=1, ~7494=1 H ARG 53 - HB2 GLU 38 lone 5 88 - 5 - 6004/3.0=1, 1622/4.4=1 H GLY 86 - HB3 GLU 94 lone 5 58 - 8 - 420=2 H ARG 53 - HB3 GLU 94 lone 4 47 - 9 - 1012/1.8=2, 465/4.7=1 H ARG 53 - HB2 ARG 85 lone 4 90 - 4 - 1488/4.0=1 H ARG 53 - HB3 ARG 85 lone 4 90 - 4 - 1488/4.0=1 H LEU 41 - HB3 GLU 94 lone 3 44 - 8 - 944/1.8=2 H ILE 34 - HB2 GLU 38 lone 2 61 - 3 - H VAL 18 - HB2 GLU 38 lone 1 63 - 1 - H VAL 18 - HB3 GLU 94 lone 0 31 - 1 - H ILE 34 - HB3 GLU 94 lone 0 29 - 1 - Peak 5772 from cnoeabs.peaks (8.56, 1.50, 25.37 ppm; 4.90 A): 1 out of 12 assignments used, quality = 0.98: * H GLY 86 + HG2 ARG 85 OK 98 100 - 98 - 5.0=95, 418/5.0=19...(8) H LEU 41 - HG2 ARG 85 OK 24 87 - 28 - 164/3.0=5, 5773/1.8=5...(9) H GLU 94 - HG2 ARG 85 OK 18 83 - 22 - 1240/3.0=3, 1240/3.0=3...(8) H ILE 34 - HG2 ARG 85 OK 15 63 - 24 - 3.9/4303=4, ~2589=3...(11) H GLY 86 - HG2 LYS 109 OK 12 47 - 26 - 3.6/4278=6, 5.0/4310=6...(7) H ARG 53 - HG2 ARG 85 lone 7 90 - 8 - 1488/5.0=2, 5769/4.1=2 H VAL 18 - HG2 ARG 85 lone 7 65 - 10 - 1488/5.0=2, 5769/4.1=2 H LEU 41 - HG2 LYS 109 lone 3 35 - 7 - 1588/4.7=3 H GLU 94 - HG2 LYS 109 lone 2 33 - 5 - H ARG 53 - HG2 LYS 109 lone 1 38 - 3 - H VAL 18 - HG2 LYS 109 lone 1 25 - 4 - H ILE 34 - HG2 LYS 109 lone 1 23 - 2 - Peak 5773 from cnoeabs.peaks (8.56, 1.65, 25.37 ppm; 5.08 A): 1 out of 12 assignments used, quality = 1.00: * H GLY 86 + HG3 ARG 85 OK 100 100 - 100 - 5.0=100 H LEU 41 - HG3 ARG 85 OK 35 87 - 40 - 164/3.0=6, 5772/1.8=5...(15) H ILE 34 - HG3 ARG 85 OK 21 63 - 33 - 3.0/2589=5, 4.0/2603=4...(14) H ARG 53 - HG LEU 51 OK 20 52 - 38 - 1619/5.1=11, 6050/3.7=10...(6) H GLY 86 - HG LEU 51 OK 19 64 - 30 - 423=5, 1613/5.1=4...(11) H GLU 94 - HG3 ARG 85 OK 18 83 - 21 - 5772/1.8=4, 5769/4.1=3...(7) H ILE 34 - HG LEU 51 OK 15 33 - 44 - ~2593=8, 921/2.1=8...(12) H LEU 41 - HG LEU 51 OK 14 50 - 27 - 4.5/4667=4, 6050/3.7=3...(12) H ARG 53 - HG3 ARG 85 poor 10 90 - 11 - 1488/5.0=2, 5769/4.1=2...(4) H VAL 18 - HG3 ARG 85 poor 9 65 - 13 - 1488/5.0=2, 5769/4.1=2...(4) H GLU 94 - HG LEU 51 poor 6 46 - 12 - 1613/5.1=4, 6050/3.7=3 H VAL 18 - HG LEU 51 lone 2 35 - 6 - 4.0/8399=2 Peak 5776 from cnoeabs.peaks (8.30, 3.40, 47.05 ppm; 4.57 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 87 + HA2 GLY 86 OK 100 100 - 100 - 3.6=100 H ILE 22 - HA2 GLY 86 OK 38 100 - 38 - 1489/3.0=10, 5777/1.8=8...(12) H THR 62 - HA2 GLY 86 OK 27 76 - 36 - 4.0/7509=24, 5777/1.8=6 H TRP 20 - HA2 GLY 86 poor 9 65 - 13 - 833/1.8=3, ~2020=3...(5) H GLY 125 - HA2 GLY 86 lone 7 85 - 8 - 1489/3.0=2, 5777/1.8=2 Peak 5777 from cnoeabs.peaks (8.30, 3.72, 47.05 ppm; 4.52 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 87 + HA3 GLY 86 OK 100 100 - 100 - 3.6=100 H ILE 22 - HA3 GLY 86 OK 37 100 - 37 - 1489/3.0=10, 5776/1.8=8...(10) H THR 62 - HA3 GLY 86 OK 27 76 - 35 - 4.0/7513=23, 5776/1.8=6 H TRP 20 - HA3 GLY 86 OK 13 65 - 20 - 4.7/57=4, 3.0/2020=3...(8) H GLY 125 - HA3 GLY 86 lone 7 85 - 9 - 1489/3.0=2, 5776/1.8=2 Peak 5778 from cnoeabs.peaks (7.86, 3.76, 63.81 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 88 + HA CYS 87 OK 100 100 - 100 - 3.6=100 H PHE 83 - HA CYS 87 OK 33 93 - 36 - 1490/3.0=10, ~6148=9...(5) H ASN 79 - HA CYS 87 lone 6 78 - 8 - 1490/3.0=2, 5780/3.0=2 H ASP 36 - HA CYS 87 lone 4 87 - 5 - 1490/3.0=1 Peak 5779 from cnoeabs.peaks (7.86, 2.27, 26.74 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.96: * H GLY 88 + HB2 CYS 87 OK 96 100 - 96 - 4.2=86, 432/1.8=38...(13) H PHE 83 - HB2 CYS 87 OK 30 93 - 32 - 5780/1.8=9, 1490/3.6=8...(6) H ASN 79 - HB2 CYS 87 lone 6 78 - 8 - 5780/1.8=2, 1490/3.6=2...(4) H ASP 36 - HB2 CYS 87 lone 4 87 - 4 - 5780/1.8=1 Peak 5780 from cnoeabs.peaks (7.86, 2.46, 26.74 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.95: * H GLY 88 + HB3 CYS 87 OK 92 100 - 92 - 4.2=77, 431/1.8=28...(12) H PHE 83 + HB3 CYS 87 OK 31 93 - 34 - 1490/3.6=8, 5779/1.8=8...(9) H ASN 79 - HB3 CYS 87 lone 7 78 - 8 - 8380/8529=2, 5779/1.8=2...(4) H ASP 36 - HB3 CYS 87 lone 4 87 - 4 - 5779/1.8=1 Peak 5781 from cnoeabs.peaks (7.96, 3.81, 46.68 ppm; 3.91 A): 2 out of 18 assignments used, quality = 1.00: * H ALA 89 + HA2 GLY 88 OK 100 100 - 100 - 3.6=100 H ALA 89 + HA3 GLY 88 OK 100 100 - 100 - 3.6=100 H ARG 92 - HA2 GLY 88 OK 42 100 - 42 - 1491/3.0=7, 3.0/7592=7...(11) H ARG 92 - HA3 GLY 88 OK 41 99 - 42 - 1491/3.0=7, 3.0/7592=7...(11) H LEU 114 - HA2 GLY 88 OK 13 92 - 14 - 433/3.0=5, 4357/4.3=2...(4) H LEU 114 - HA3 GLY 88 OK 13 91 - 14 - 433/3.0=5, 4357/4.3=2...(4) H VAL 66 - HA2 GLY 88 lone 6 100 - 6 - 1491/3.0=2, 4357/4.3=2 H VAL 66 - HA3 GLY 88 lone 6 99 - 6 - 1491/3.0=2, 4357/4.3=2 H SER 44 - HA2 GLY 88 lone 6 98 - 6 - 1491/3.0=2, 4.6/1599=2 H SER 44 - HA3 GLY 88 lone 6 98 - 6 - 1491/3.0=2, 4.6/1599=2 H SER 44 - HA3 GLY 39 lone 5 55 - 9 - 4.6/1599=6, 1602/1592=2 H ALA 89 - HA3 GLY 39 lone 2 59 - 4 - H ARG 92 - HA3 GLY 39 lone 2 58 - 4 - HE ARG 85 - HA2 GLY 88 lone 2 71 - 3 - 1491/3.0=1 HE ARG 85 - HA3 GLY 88 lone 2 70 - 3 - 1491/3.0=1 H LEU 114 - HA3 GLY 39 lone 2 49 - 3 - H VAL 66 - HA3 GLY 39 lone 1 58 - 1 - HE ARG 85 - HA3 GLY 39 lone 0 35 - 1 - Peak 5782 from cnoeabs.peaks (7.96, 3.81, 46.68 ppm; 3.91 A): 2 out of 18 assignments used, quality = 1.00: * H ALA 89 + HA3 GLY 88 OK 100 100 - 100 - 3.6=100 H ALA 89 + HA2 GLY 88 OK 100 100 - 100 - 3.6=100 H ARG 92 - HA2 GLY 88 OK 41 99 - 42 - 1491/3.0=7, 3.0/7592=7...(11) H ARG 92 - HA3 GLY 88 OK 41 100 - 42 - 1491/3.0=7, 3.0/7592=7...(11) H LEU 114 - HA3 GLY 88 OK 13 92 - 14 - 433/3.0=5, 4357/4.3=2...(4) H LEU 114 - HA2 GLY 88 OK 13 91 - 14 - 433/3.0=5, 4357/4.3=2...(4) H VAL 66 - HA2 GLY 88 lone 6 99 - 6 - 1491/3.0=2, 4357/4.3=2 H VAL 66 - HA3 GLY 88 lone 6 100 - 6 - 1491/3.0=2, 4357/4.3=2 H SER 44 - HA2 GLY 88 lone 6 98 - 6 - 1491/3.0=2, 4.6/1599=2 H SER 44 - HA3 GLY 88 lone 6 98 - 6 - 1491/3.0=2, 4.6/1599=2 H SER 44 - HA3 GLY 39 lone 5 53 - 9 - 4.6/1599=6, 1602/1592=2 H ALA 89 - HA3 GLY 39 lone 2 57 - 4 - H ARG 92 - HA3 GLY 39 lone 2 56 - 4 - HE ARG 85 - HA3 GLY 88 lone 2 71 - 3 - 1491/3.0=1 HE ARG 85 - HA2 GLY 88 lone 2 70 - 3 - 1491/3.0=1 H LEU 114 - HA3 GLY 39 lone 1 47 - 3 - H VAL 66 - HA3 GLY 39 lone 1 56 - 1 - HE ARG 85 - HA3 GLY 39 lone 0 33 - 1 - Peak 5783 from cnoeabs.peaks (7.72, 4.24, 53.63 ppm; 4.20 A): 1 out of 14 assignments used, quality = 1.00: * H SER 90 + HA ALA 89 OK 100 100 - 100 - 3.6=100 H LEU 91 - HA ALA 89 OK 24 73 - 33 - 5784/2.1=8, 1494/2.9=8...(7) H LEU 58 - HA ALA 89 OK 18 100 - 18 - 1046=3, 5784/2.1=3...(8) H LEU 111 - HA ALA 89 lone 5 76 - 7 - ~6219=2, 1492/2.9=1...(4) H ASN 118 - HA ALA 89 lone 5 93 - 5 - 5784/2.1=2, 1492/2.9=1 H LEU 58 - HA ALA 122 poor 4 34 - 13 - 1046=2, 4.6/272=2...(7) H LEU 126 - HA ALA 89 lone 4 100 - 4 - 5784/2.1=1, 1492/2.9=1 H ASN 118 - HA ALA 122 lone 3 28 - 10 - ~1806=6, ~8023=1, 5784/2.1=1 HE21 GLN 103 - HA ALA 89 lone 2 95 - 2 - H LEU 111 - HA ALA 122 lone 1 21 - 6 - 624/3.0=4, 562/2.1=1 H SER 90 - HA ALA 122 lone 1 34 - 3 - HE21 GLN 103 - HA ALA 122 lone 1 29 - 3 - H LEU 91 - HA ALA 122 lone 1 20 - 3 - H LEU 126 - HA ALA 122 lone 0 34 - 1 - Peak 5784 from cnoeabs.peaks (7.72, 1.44, 18.69 ppm; 3.40 A): 2 out of 21 assignments used, quality = 0.96: * H SER 90 + QB ALA 89 OK 93 100 - 93 - 3.6=86, 436/2.9=14...(11) H LEU 91 + QB ALA 89 OK 37 73 - 51 - 1218=8, 440/4.9=8...(16) H LEU 58 - QB ALA 89 OK 12 100 - 12 - 5783/2.1=2, 3.0/4358=1 H ASN 118 - QB ALA 89 lone 7 93 - 8 - H LEU 126 - QB ALA 89 lone 5 100 - 5 - 1710/4.8=1 H LEU 111 - QB ALA 89 lone 5 76 - 7 - ~6219=1 H ASN 118 - QB ALA 122 lone 5 54 - 9 - ~1806=4, 1786/2.1=2 H SER 90 - QB ALA 98 lone 4 67 - 6 - 438=1 H LEU 111 - QB ALA 98 lone 4 43 - 8 - 6198/2.1=3, 4.3/7668=2 H LEU 91 - QB ALA 98 lone 4 41 - 8 - 1218=1, 3.0/4375=1, 4.5/4410=1 H LEU 58 - QB ALA 122 lone 3 63 - 5 - 1046/2.1=1 H SER 90 - QB ALA 122 lone 2 63 - 4 - H LEU 58 - QB ALA 98 lone 2 67 - 3 - HE21 GLN 103 - QB ALA 89 lone 2 95 - 2 - H LEU 111 - QB ALA 122 lone 2 40 - 4 - 624/2.9=3 H LEU 91 - QB ALA 122 lone 2 39 - 4 - HE21 GLN 103 - QB ALA 98 lone 1 58 - 3 - 7776/7345=1 H ASN 118 - QB ALA 98 lone 1 57 - 2 - HE21 GLN 103 - QB ALA 122 lone 1 55 - 2 - H LEU 126 - QB ALA 122 lone 1 63 - 1 - H LEU 126 - QB ALA 98 lone 1 66 - 1 - Peak 5785 from cnoeabs.peaks (7.75, 4.46, 59.75 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.98: * H LEU 91 + HA SER 90 OK 91 100 - 91 - 3.6=87, 442/3.0=12...(7) H SER 90 + HA SER 90 OK 73 73 - 100 - 3.0=100 H ASN 118 - HA SER 90 lone 7 97 - 7 - 5786/3.0=1, 4.0/7572=1 H LEU 58 - HA SER 90 lone 4 73 - 5 - ~437=1 H LEU 126 - HA SER 90 lone 2 78 - 2 - H GLY 48 - HA SER 90 lone 1 81 - 1 - Peak 5786 from cnoeabs.peaks (7.75, 3.80, 64.49 ppm; 3.60 A): 2 out of 6 assignments used, quality = 0.93: * H LEU 91 + HB2 SER 90 OK 78 100 - 78 - 4.4=53, 440/3.0=21...(9) H SER 90 + HB2 SER 90 OK 67 73 - 91 - 3.8=85, 1721/1.8=20...(8) H ASN 118 - HB2 SER 90 lone 8 97 - 8 - 5787/1.8=2, 4.0/7575=1 H LEU 58 - HB2 SER 90 lone 3 73 - 4 - 5787/1.8=1 H LEU 126 - HB2 SER 90 lone 2 78 - 3 - H GLY 48 - HB2 SER 90 lone 1 81 - 1 - Peak 5787 from cnoeabs.peaks (7.75, 3.73, 64.49 ppm; 3.52 A): 2 out of 6 assignments used, quality = 0.91: * H LEU 91 + HB3 SER 90 OK 75 100 - 75 - 4.4=49, 440/3.0=20...(9) H SER 90 + HB3 SER 90 OK 64 73 - 87 - 3.8=79, 5786/1.8=15...(7) H ASN 118 - HB3 SER 90 lone 7 97 - 7 - 5786/1.8=2, 4.0/7579=1 H LEU 58 - HB3 SER 90 lone 5 73 - 7 - H LEU 126 - HB3 SER 90 lone 2 78 - 3 - H GLY 48 - HB3 SER 90 lone 1 81 - 1 - Peak 5788 from cnoeabs.peaks (7.96, 4.51, 54.41 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 92 + HA LEU 91 OK 100 100 - 100 - 3.6=100 H ALA 89 - HA LEU 91 OK 38 100 - 38 - 1494/3.0=9, 5790/3.0=5...(14) H VAL 66 - HA LEU 91 OK 28 100 - 28 - 3.0/7176=5, 1091/3.0=4...(11) H LEU 114 - HA LEU 91 OK 23 97 - 24 - 1494/3.0=5, 5792/3.9=3...(9) H SER 44 - HA LEU 91 lone 5 93 - 5 - HE ARG 85 - HA LEU 91 lone 5 83 - 5 - Peak 5789 from cnoeabs.peaks (7.96, 1.74, 44.63 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 92 + HB2 LEU 91 OK 100 100 - 100 - 4.2=100 H ALA 89 + HB2 LEU 91 OK 54 100 - 55 - 4.5/7570=11, 1494/4.0=9...(16) H VAL 66 - HB2 LEU 91 OK 44 100 - 44 - 1091=7, 5790/1.8=6...(13) H LEU 114 - HB2 LEU 91 OK 36 97 - 37 - 5792/3.1=6, 5790/1.8=6...(12) H SER 44 - HB2 LEU 91 lone 9 93 - 10 - 5790/1.8=1, 5792/3.1=1 HE ARG 85 - HB2 LEU 91 lone 8 83 - 9 - 5790/1.8=1, 5792/3.1=1 Peak 5790 from cnoeabs.peaks (7.96, 1.43, 44.63 ppm; 4.51 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 92 + HB3 LEU 91 OK 100 100 - 100 - 4.2=100 H ALA 89 + HB3 LEU 91 OK 59 100 - 59 - 1494/4.0=9, 5789/1.8=9...(20) H VAL 66 - HB3 LEU 91 OK 44 100 - 44 - 5789/1.8=7, 312=6...(13) H LEU 114 - HB3 LEU 91 OK 39 97 - 41 - 5792/3.1=6, 5789/1.8=6...(13) HE ARG 85 - HB3 LEU 91 poor 9 83 - 11 - 5789/1.8=1, 5792/3.1=1 H SER 44 - HB3 LEU 91 lone 8 93 - 9 - 5789/1.8=2, 5792/3.1=1 Peak 5791 from cnoeabs.peaks (7.96, 1.49, 26.38 ppm; 4.31 A): 5 out of 24 assignments used, quality = 0.97: * H ARG 92 + HG LEU 91 OK 59 100 - 59 - 5792/2.1=15, 446/3.0=13...(10) H ARG 92 + HG LEU 93 OK 50 91 - 55 - 1495/5.3=11, 8528/2.1=10...(14) H ALA 89 + HG LEU 91 OK 49 100 - 49 - 5792/2.1=8, 5790/3.0=7...(14) H LEU 114 + HG LEU 91 OK 43 97 - 44 - 5792/2.1=7, 3.0/5059=5...(15) H ARG 92 + HG3 ARG 92 OK 41 46 - 89 - 4.9=67, 1226/1.8=12...(18) H ARG 92 - HG2 ARG 92 OK 39 43 - 89 - 4.9=67, 1226/1.8=12...(18) H VAL 66 - HG LEU 91 OK 32 100 - 32 - 1091/3.0=6, 5792/2.1=5...(9) H LEU 114 - HG LEU 93 OK 27 86 - 32 - 8528/2.1=7, 450/5.3=3...(12) H ALA 89 - HG LEU 93 OK 24 90 - 27 - 8528/2.1=7, 450/5.3=4...(9) H VAL 66 - HG LEU 93 OK 15 91 - 17 - 1093/2.1=3, 8528/2.1=3...(5) H LEU 114 - HG3 ARG 92 OK 12 43 - 27 - 4422/3.0=4, 4430/3.0=3...(13) H LEU 114 - HG2 ARG 92 OK 11 40 - 27 - 4422/3.0=4, 4430/3.0=3...(12) HE ARG 85 - HG LEU 91 OK 11 83 - 12 - 8714=1, 5792/2.1=1...(4) H ALA 89 - HG3 ARG 92 poor 8 45 - 18 - 4414/3.9=4, 4422/3.0=3...(7) H VAL 66 - HG3 ARG 92 poor 8 46 - 16 - 4422/3.0=3, 4414/3.9=3...(5) H ALA 89 - HG2 ARG 92 poor 8 42 - 18 - 4414/3.9=4, 4422/3.0=3...(7) H SER 44 - HG LEU 91 lone 7 93 - 8 - 5792/2.1=1, 5789/3.0=1 HE ARG 85 - HG LEU 93 poor 7 70 - 10 - 8714=1, 8528/2.1=1, 2.9/4326=1 H VAL 66 - HG2 ARG 92 poor 7 43 - 16 - 4422/3.0=3, 4414/3.9=3...(5) HE ARG 85 - HG3 ARG 92 poor 6 33 - 19 - 8714=2, 8714/1.8=2...(9) HE ARG 85 - HG2 ARG 92 poor 6 30 - 19 - 8714=2, 8714/1.8=2...(9) H SER 44 - HG LEU 93 lone 3 80 - 4 - H SER 44 - HG3 ARG 92 lone 2 39 - 5 - H SER 44 - HG2 ARG 92 lone 2 37 - 5 - Peak 5792 from cnoeabs.peaks (7.96, 0.82, 22.64 ppm; 4.11 A): 3 out of 6 assignments used, quality = 0.94: * H ARG 92 + QD2 LEU 91 OK 82 100 - 82 - 5.0=56, 3.6/4401=19...(15) H ALA 89 + QD2 LEU 91 OK 46 100 - 47 - 1494/4.5=7, 5790/3.1=6...(14) H LEU 114 + QD2 LEU 91 OK 38 97 - 39 - 5790/3.1=4, 1355/2.1=4...(16) H VAL 66 - QD2 LEU 91 OK 30 100 - 30 - 1091/3.1=5, 5790/3.1=4...(9) HE ARG 85 - QD2 LEU 91 lone 7 83 - 8 - 8714/2.1=1 H SER 44 - QD2 LEU 91 lone 7 93 - 7 - 5789/3.1=1 Peak 5793 from cnoeabs.peaks (7.96, 0.74, 26.35 ppm; 4.86 A): 4 out of 12 assignments used, quality = 1.00: * H ARG 92 + QD1 LEU 91 OK 97 100 - 97 - 5.0=92, 5792/2.1=18...(17) H ALA 89 + QD1 LEU 91 OK 58 100 - 59 - 5792/2.1=10, 1494/4.5=10...(14) H LEU 114 + QD1 LEU 91 OK 50 97 - 51 - 5792/2.1=8, 5790/3.1=5...(15) H LEU 114 + QD1 LEU 114 OK 50 50 - 100 - 4.4=100 H VAL 66 - QD1 LEU 91 OK 45 100 - 45 - 5792/2.1=6, 5789/3.1=6...(15) H ARG 92 - QD1 LEU 114 OK 24 54 - 44 - 5084/2.1=7, 5070/3.1=6...(15) H VAL 66 - QD1 LEU 114 OK 16 54 - 30 - 306/4.0=8, 5084/2.1=6...(5) H ALA 89 - QD1 LEU 114 OK 15 53 - 29 - 5084/2.1=5, 5077/2.1=4...(8) HE ARG 85 - QD1 LEU 91 OK 11 83 - 13 - 5792/2.1=2, 8714/2.1=2...(5) H SER 44 - QD1 LEU 91 OK 10 93 - 11 - 5792/2.1=1, 5789/3.1=1 HE ARG 85 - QD1 LEU 114 poor 7 38 - 17 - 5070/3.1=3, 5084/2.1=3...(7) H SER 44 - QD1 LEU 114 poor 6 46 - 12 - 6821/2.1=2, 5084/2.1=2...(5) Peak 5794 from cnoeabs.peaks (7.09, 4.18, 56.14 ppm; 3.24 A): 2 out of 10 assignments used, quality = 0.92: * H LEU 93 + HA ARG 92 OK 84 100 - 84 - 3.6=75, 450/3.0=12...(9) HE ARG 92 + HA ARG 92 OK 47 92 - 51 - 5.9=17, 1495/3.0=7...(14) HZ PHE 96 - HA ARG 92 lone 4 96 - 4 - 1495/3.0=2 H LEU 93 - HA LEU 126 lone 4 75 - 5 - 451=2 HE ARG 92 - HA LEU 126 lone 2 63 - 3 - QD PHE 83 - HA ARG 92 lone 2 78 - 2 - QD PHE 40 - HA ARG 92 lone 1 63 - 2 - HZ PHE 96 - HA LEU 126 lone 1 67 - 1 - QD PHE 83 - HA LEU 126 lone 0 51 - 1 - QD PHE 40 - HA LEU 126 lone 0 40 - 1 - Peak 5801 from cnoeabs.peaks (8.54, 4.38, 53.97 ppm; 2.83 A): 2 out of 5 assignments used, quality = 0.73: * H GLU 94 + HA LEU 93 OK 69 100 - 69 - 3.6=50, 461/3.0=9...(9) H ARG 53 + HA LEU 93 OK 12 100 - 12 - 1496/3.0=3, 6962/3.8=2...(6) H LEU 41 - HA LEU 93 lone 9 100 - 9 - 1496/3.0=2, 5803/3.0=1...(4) H GLY 86 - HA LEU 93 poor 9 83 - 11 - 5806/3.8=2, 1496/3.0=2...(5) H GLU 38 - HA LEU 93 lone 7 85 - 8 - 5802/3.0=1, 5803/3.0=1...(4) Peak 5802 from cnoeabs.peaks (8.54, 1.47, 43.83 ppm; 4.45 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 94 + HB2 LEU 93 OK 100 100 - 100 - 4.4=100 H ARG 53 - HB2 LEU 93 OK 33 100 - 34 - 6962/3.1=7, 5806/3.1=6...(6) H GLU 38 - HB2 LEU 93 OK 29 85 - 34 - 6704=5, 5803/1.8=4...(14) H GLY 86 - HB2 LEU 93 OK 29 83 - 35 - 5806/3.1=6, 5803/1.8=5...(11) H LEU 41 - HB2 LEU 93 OK 25 100 - 25 - 5803/1.8=4, 5801/3.0=4...(7) H GLU 94 - HB3 LEU 58 OK 16 50 - 32 - 7614/3.1=5, 1238/3.0=4...(13) H GLY 86 - HB3 LEU 58 lone 3 36 - 8 - 3.6/4278=1 H GLU 38 - HB3 LEU 58 lone 2 37 - 6 - H ARG 53 - HB3 LEU 58 lone 2 50 - 4 - H LEU 41 - HB3 LEU 58 lone 2 50 - 4 - Peak 5803 from cnoeabs.peaks (8.54, 1.38, 43.83 ppm; 4.52 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 94 + HB3 LEU 93 OK 100 100 - 100 - 4.4=100 H ARG 53 - HB3 LEU 93 OK 33 100 - 33 - 6962/3.1=8, 5806/3.1=6...(6) H GLY 86 - HB3 LEU 93 OK 27 83 - 33 - 5806/3.1=6, 5802/1.8=5...(9) H LEU 41 - HB3 LEU 93 OK 24 100 - 24 - 5802/1.8=4, 5801/3.0=4...(7) H GLU 38 - HB3 LEU 93 OK 23 85 - 27 - 5802/1.8=5, 5806/3.1=4...(10) Peak 5804 from cnoeabs.peaks (8.54, 1.49, 26.18 ppm; 4.37 A): 4 out of 10 assignments used, quality = 0.93: * H GLU 94 + HG LEU 93 OK 77 100 - 77 - 459/4.3=24, 461/3.0=22...(12) H GLU 94 + HG LEU 91 OK 34 91 - 37 - 464/2.1=8, 463/2.1=6...(7) H ARG 53 + HG LEU 93 OK 31 100 - 31 - 6962/2.1=9, 5806/2.1=7...(6) H GLY 86 + HG LEU 93 OK 30 83 - 37 - 5806/2.1=7, 422=5...(12) H GLU 38 - HG LEU 93 OK 22 85 - 26 - 5806/2.1=4, 5802/3.0=4...(9) H LEU 41 - HG LEU 93 OK 21 100 - 21 - 5806/2.1=4, 5803/3.0=3...(6) H GLY 86 - HG LEU 91 OK 12 70 - 18 - ~7512=3, 422=3...(7) H GLU 38 - HG LEU 91 poor 10 72 - 14 - ~6709=2, ~7588=2...(6) H ARG 53 - HG LEU 91 poor 10 90 - 11 - 6962/2.1=4, 1011/3.0=2 H LEU 41 - HG LEU 91 lone 4 91 - 4 - Peak 5805 from cnoeabs.peaks (8.54, 0.76, 24.83 ppm; 4.03 A): 4 out of 15 assignments used, quality = 0.92: * H GLU 94 + QD2 LEU 93 OK 75 100 - 75 - 459/3.8=25, 461/3.1=18...(11) H ARG 53 + QD2 LEU 93 OK 40 100 - 40 - 6962=8, 5806/2.1=6...(11) H GLY 86 + QD2 LEU 93 OK 29 83 - 35 - 5806/2.1=6, 5804/2.1=4...(11) H GLU 94 + HG LEU 111 OK 28 85 - 33 - 463=7, 3.6/4475=5...(7) H LEU 41 - QD2 LEU 93 OK 22 100 - 22 - 5806/2.1=4, 5801/3.8=3...(6) H GLU 94 - QD2 LEU 111 OK 22 77 - 28 - 463/2.1=5, 463=5...(7) H GLU 38 - QD2 LEU 93 OK 21 85 - 25 - 5806/2.1=4, 3.0/6709=4...(8) H ARG 53 - HG LEU 111 OK 17 84 - 20 - 6962=4, 6962/2.1=3...(6) H LEU 41 - HG LEU 111 OK 17 85 - 20 - 1450/4.9=4, 1583/4.3=4...(4) H GLU 38 - HG LEU 111 OK 16 66 - 24 - 3.0/6709=6, ~7900=5...(6) H GLU 38 - QD2 LEU 111 OK 14 59 - 24 - ~7900=5, 3.0/6709=5...(8) H LEU 41 - QD2 LEU 111 OK 12 77 - 15 - 1583/4.0=4, ~6748=2 H ARG 53 - QD2 LEU 111 OK 11 77 - 14 - 6962/2.1=4, 6962=3 H GLY 86 - HG LEU 111 poor 7 64 - 11 - 4.7/417=2, 4.6/7536=2 H GLY 86 - QD2 LEU 111 lone 5 57 - 9 - 4.7/417=2, 4.6/7536=1 Peak 5806 from cnoeabs.peaks (8.54, 0.83, 25.26 ppm; 4.04 A): 5 out of 5 assignments used, quality = 0.93: * H GLU 94 + QD1 LEU 93 OK 76 100 - 76 - 459/3.8=25, 464=20...(13) H GLY 86 + QD1 LEU 93 OK 32 83 - 39 - 7508=7, 3.0/7515=5...(12) H ARG 53 + QD1 LEU 93 OK 32 100 - 32 - 6962/2.1=7, 5803/3.1=4...(8) H LEU 41 + QD1 LEU 93 OK 20 100 - 20 - 5801/3.8=3, 5803/3.1=3...(6) H GLU 38 + QD1 LEU 93 OK 19 85 - 23 - 5802/3.1=3, 5804/2.1=3...(10) Peak 5807 from cnoeabs.peaks (8.40, 4.27, 56.38 ppm; 2.95 A): 1 out of 6 assignments used, quality = 0.74: * H THR 95 + HA GLU 94 OK 74 100 - 74 - 3.6=57, 5808/2.9=11...(7) H THR 95 - HA LEU 58 lone 7 69 - 10 - 466=4, 1246/4.0=1, 4.6/1238=1 H LEU 51 - HA GLU 94 lone 5 76 - 7 - 1497/3.0=2, 5808/2.9=1 H ILE 80 - HA GLU 94 lone 4 71 - 6 - 1497/3.0=1 H ILE 80 - HA LEU 58 lone 2 41 - 4 - 4.0/8351=1 H LEU 51 - HA LEU 58 lone 0 45 - 1 - Peak 5808 from cnoeabs.peaks (8.40, 2.00, 29.56 ppm; 4.08 A): 1 out of 6 assignments used, quality = 0.91: * H THR 95 + HB2 GLU 94 OK 91 100 - 91 - 4.7=67, 5807/2.9=32...(8) H LEU 51 - HB2 GLU 94 poor 10 76 - 13 - 1497/4.0=3, 5809/1.8=3...(5) H THR 95 - HB3 ARG 53 poor 8 56 - 14 - 465/4.0=3, 467=3...(5) H LEU 51 - HB3 ARG 53 poor 7 36 - 21 - 3.6/6047=9, 1619/4.0=7 H ILE 80 - HB2 GLU 94 lone 7 71 - 10 - 1497/4.0=2, 5809/1.8=2...(4) H ILE 80 - HB3 ARG 53 lone 1 33 - 3 - Peak 5809 from cnoeabs.peaks (8.40, 1.95, 29.56 ppm; 3.92 A): 1 out of 9 assignments used, quality = 0.88: * H THR 95 + HB3 GLU 94 OK 88 100 - 88 - 4.7=60, 5807/2.9=31...(6) H THR 95 - HB3 ARG 85 poor 9 58 - 16 - 468=4, 468/1.8=3...(6) H THR 95 - HB2 ARG 85 poor 9 58 - 16 - 468=4, 468/1.8=3...(6) H LEU 51 - HB3 GLU 94 poor 9 76 - 12 - 1497/4.0=3, 5808/1.8=3...(5) H ILE 80 - HB3 GLU 94 lone 7 71 - 9 - 1497/4.0=2, 5808/1.8=2...(4) H LEU 51 - HB3 ARG 85 lone 3 37 - 8 - 1613/4.7=2, 1002/3.0=2 H LEU 51 - HB2 ARG 85 lone 3 37 - 8 - 1613/4.7=2, 1002/3.0=2 H ILE 80 - HB2 ARG 85 lone 1 34 - 3 - H ILE 80 - HB3 ARG 85 lone 1 34 - 3 - Peak 5810 from cnoeabs.peaks (8.40, 2.24, 35.91 ppm; 3.99 A): 3 out of 15 assignments used, quality = 0.93: * H THR 95 + HG2 GLU 94 OK 85 100 - 85 - 5.0=52, 5807/4.2=23...(9) H THR 95 + HG3 GLU 94 OK 48 57 - 84 - 5.0=52, 5807/4.2=23...(9) H THR 95 + HG3 GLU 64 OK 13 99 - 13 - 469=3, 466/3.9=2...(7) H LEU 51 - HG2 GLU 94 lone 7 76 - 9 - 1497/4.9=3, 5808/3.0=2...(4) H ILE 80 - HG2 GLU 94 lone 5 71 - 8 - 1497/4.9=2, 5808/3.0=2...(4) H THR 95 - HG3 GLU 28 lone 5 94 - 5 - 469=1 H THR 95 - HG2 GLU 28 lone 5 93 - 5 - 469=1 H LEU 51 - HG3 GLU 94 lone 3 37 - 9 - 1497/4.9=3, 5808/3.0=2...(4) H ILE 80 - HG3 GLU 94 lone 2 34 - 7 - 1497/4.9=2, 5808/3.0=2...(4) H ILE 80 - HG3 GLU 64 lone 2 69 - 3 - H ILE 80 - HG3 GLU 28 lone 2 62 - 3 - H ILE 80 - HG2 GLU 28 lone 2 60 - 3 - H LEU 51 - HG3 GLU 28 lone 2 67 - 3 - H LEU 51 - HG2 GLU 28 lone 2 65 - 2 - H LEU 51 - HG3 GLU 64 lone 1 74 - 2 - Peak 5811 from cnoeabs.peaks (8.40, 2.27, 35.91 ppm; 4.04 A): 2 out of 6 assignments used, quality = 0.92: * H THR 95 + HG3 GLU 94 OK 85 100 - 85 - 5.0=54, 5807/4.2=23...(9) H THR 95 + HG2 GLU 94 OK 49 57 - 86 - 5.0=54, 5807/4.2=23...(9) H LEU 51 - HG3 GLU 94 lone 7 76 - 10 - 1497/4.9=3, 5808/3.0=2...(4) H ILE 80 - HG3 GLU 94 lone 5 71 - 8 - 1497/4.9=2, 5808/3.0=2...(4) H LEU 51 - HG2 GLU 94 lone 4 37 - 9 - 1497/4.9=3, 5808/3.0=2...(4) H ILE 80 - HG2 GLU 94 lone 3 34 - 7 - 1497/4.9=2, 5808/3.0=2...(4) Peak 5813 from cnoeabs.peaks (7.39, 3.89, 68.17 ppm; 3.18 A): 2 out of 6 assignments used, quality = 0.77: * H PHE 96 + HB THR 95 OK 68 100 - 68 - 4.4=37, 474/2.1=17...(9) HD21 ASN 79 + HB THR 95 OK 29 95 - 31 - 5814/2.1=7, 7616/3.0=5...(12) H GLU 75 - HB THR 95 lone 5 100 - 5 - 5814/2.1=1 H LYS 32 - HB THR 95 lone 3 85 - 4 - H SER 72 - HB THR 95 lone 1 68 - 1 - HE21 GLN 16 - HB THR 95 lone 1 81 - 1 - Peak 5814 from cnoeabs.peaks (7.39, 0.97, 21.16 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.93: * H PHE 96 + QG2 THR 95 OK 89 100 - 90 - 4.1=71, 5813/2.1=25...(12) HD21 ASN 79 + QG2 THR 95 OK 38 95 - 40 - 5813/2.1=11, 7616/3.2=7...(11) H GLU 75 - QG2 THR 95 lone 7 100 - 7 - 5813/2.1=2, 7616/3.2=1 H LYS 32 - QG2 THR 95 lone 4 85 - 5 - 5813/2.1=1 H SER 72 - QG2 THR 95 lone 1 68 - 2 - HE21 GLN 16 - QG2 THR 95 lone 1 81 - 1 - Peak 5815 from cnoeabs.peaks (9.21, 4.81, 55.06 ppm; 3.95 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 97 + HA PHE 96 OK 100 100 - 100 - 3.6=100 H ALA 98 + HA PHE 96 OK 64 100 - 64 - 483/4.8=20, 4.6/476=19...(10) H ASP 97 - HA TYR 67 OK 21 70 - 30 - 476=8, 4.3/4562=5...(7) H ALA 98 - HA TYR 67 OK 11 70 - 16 - 4.6/476=4, 4.6/8699=3...(5) Peak 5816 from cnoeabs.peaks (9.21, 3.52, 38.61 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.98: * H ASP 97 + HB2 PHE 96 OK 95 100 - 95 - 4.3=79, 478/1.8=32...(11) H ALA 98 + HB2 PHE 96 OK 63 100 - 63 - 4.6/477=15, 4702/2.4=14...(14) Peak 5817 from cnoeabs.peaks (9.21, 2.93, 38.61 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.99: * H ASP 97 + HB3 PHE 96 OK 96 100 - 97 - 4.3=88, 476/3.0=32...(7) H ALA 98 + HB3 PHE 96 OK 62 100 - 62 - 4.6/478=17, 5816/1.8=16...(10) Peak 5821 from cnoeabs.peaks (9.21, 4.84, 53.20 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 98 + HA ASP 97 OK 100 100 - 100 - 3.6=100 H ASP 97 + HA ASP 97 OK 100 100 - 100 - 3.0=100 Peak 5822 from cnoeabs.peaks (9.21, 2.79, 43.47 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.95: H ASP 97 + HB2 ASP 97 OK 78 100 - 78 - 3.9=62, 1257/1.8=31...(6) * H ALA 98 + HB2 ASP 97 OK 76 100 - 77 - 4.6=39, 483/3.0=26...(9) Peak 5823 from cnoeabs.peaks (9.21, 2.60, 43.47 ppm; 3.31 A): 2 out of 2 assignments used, quality = 0.94: H ASP 97 + HB3 ASP 97 OK 78 100 - 78 - 3.9=59, 1256/1.8=30...(8) * H ALA 98 + HB3 ASP 97 OK 73 100 - 74 - 4.6=37, 483/3.0=25...(10) Peak 5824 from cnoeabs.peaks (8.79, 4.13, 56.52 ppm; 4.74 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 99 + HA ALA 98 OK 100 100 - 100 - 3.6=100 H ASN 99 - HA ASN 108 OK 44 99 - 45 - 1264/3.0=10, 487=9...(11) H GLU 15 - HA ALA 98 OK 14 89 - 16 - 5825/2.1=4, 1501/3.0=3...(4) H GLU 15 - HA ASN 108 OK 12 85 - 14 - 25/3.0=6, 4.6/4862=4, 3.7/6175=1 H ASN 99 - HA ARG 57 lone 6 64 - 10 - 7676/4.5=2, 4.6/1724=2, 487=1 H GLU 15 - HA ARG 57 lone 5 51 - 10 - 27/3.6=2, 806/3.0=1, ~8188=1 Peak 5825 from cnoeabs.peaks (8.79, 1.42, 18.97 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 99 + QB ALA 98 OK 100 100 - 100 - 3.5=100 H GLU 15 - QB ALA 98 OK 11 89 - 12 - 4614/4.5=3, 1501/2.9=2...(5) H ASN 99 - QB ALA 122 lone 4 58 - 7 - 488=2 H ASN 99 - QB ALA 89 lone 4 67 - 6 - 488=1 H GLU 15 - QB ALA 89 lone 1 53 - 2 - H GLU 15 - QB ALA 122 lone 1 46 - 1 - Peak 5826 from cnoeabs.peaks (8.22, 4.56, 56.07 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 100 + HA ASN 99 OK 100 100 - 100 - 3.6=100 H MET 11 - HA ASN 99 OK 31 95 - 33 - 1502/3.0=12, 5828/3.0=7...(7) H LEU 21 - HA ASN 99 lone 6 87 - 7 - 1732/6179=1, 1502/3.0=1 H VAL 49 - HA ASN 99 lone 4 63 - 6 - 5827/3.0=1 Peak 5827 from cnoeabs.peaks (8.22, 2.84, 38.26 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.94: * H ASP 100 + HB2 ASN 99 OK 92 100 - 92 - 4.6=84, 5828/1.8=28...(5) H MET 11 + HB2 ASN 99 OK 25 95 - 26 - 1502/4.1=8, 5828/1.8=8...(4) H ASP 100 - HB3 PHE 107 OK 24 81 - 30 - 491=6, 3.6/4616=5...(9) H VAL 49 - HB3 PHE 107 poor 7 44 - 15 - 3.0/6897=4, ~6040=3...(5) H VAL 49 - HB2 ASN 99 lone 5 63 - 8 - 3.0/6897=1, 3.6/6888=1 H MET 11 - HB3 PHE 107 lone 4 72 - 6 - 491=1 H LEU 21 - HB2 ASN 99 lone 4 87 - 4 - 5826/3.0=1, 5828/1.8=1 H LEU 21 - HB3 PHE 107 lone 1 64 - 2 - Peak 5828 from cnoeabs.peaks (8.22, 2.72, 38.26 ppm; 4.41 A): 2 out of 4 assignments used, quality = 0.95: * H ASP 100 + HB3 ASN 99 OK 93 100 - 93 - 4.6=86, 1502/4.1=23...(4) H MET 11 + HB3 ASN 99 OK 27 95 - 29 - 1502/4.1=9, 5826/3.0=6...(5) H LEU 21 - HB3 ASN 99 lone 4 87 - 4 - 5826/3.0=1 H VAL 49 - HB3 ASN 99 lone 3 63 - 5 - 5827/1.8=1 Peak 5829 from cnoeabs.peaks (6.97, 4.35, 57.81 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 101 + HA ASP 100 OK 100 100 - 100 - 3.6=100 HD22 ASN 108 - HA ASP 100 OK 42 100 - 42 - ~8149=13, 3.5/7693=10...(9) HD22 ASN 12 - HA ASP 100 OK 25 95 - 26 - 5.7/7690=5, 656/3.0=5...(9) QE PHE 107 - HA ASP 100 OK 21 89 - 24 - 5831/3.0=5, 1503/2.9=4...(6) Peak 5830 from cnoeabs.peaks (6.97, 2.89, 39.63 ppm; 4.65 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 101 + HB2 ASP 100 OK 100 100 - 100 - 4.3=100 HD22 ASN 108 + HB2 ASP 100 OK 50 100 - 50 - ~8149=19, 5831/1.8=10...(9) H LEU 101 - HB2 PHE 40 OK 44 99 - 45 - 497=9, 3.6/4634=9...(9) HD22 ASN 12 - HB2 ASP 100 OK 32 95 - 34 - 656=6, 1.7/650=5...(10) QE PHE 107 - HB2 ASP 100 OK 29 89 - 33 - 4799/6743=7, 5831/1.8=6...(8) HD22 ASN 12 - HB2 PHE 40 OK 20 92 - 21 - 656=4, 1.7/650=3...(9) QE PHE 107 - HB2 PHE 40 OK 15 86 - 17 - 4768/4.7=5, 4799/6743=4 HD22 ASN 108 - HB2 PHE 40 lone 7 99 - 7 - Peak 5831 from cnoeabs.peaks (6.97, 3.12, 39.63 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 101 + HB3 ASP 100 OK 100 100 - 100 - 4.3=100 HD22 ASN 108 + HB3 ASP 100 OK 53 100 - 53 - 3.5/8149=28, 5829/3.0=7...(9) QE PHE 107 - HB3 ASP 100 OK 32 89 - 36 - 4799/8150=8, 4785=5...(10) HD22 ASN 12 - HB3 ASP 100 OK 25 95 - 26 - 656/1.8=6, 5829/3.0=4...(8) Peak 5832 from cnoeabs.peaks (8.48, 4.49, 56.48 ppm; 4.93 A): 1 out of 8 assignments used, quality = 1.00: * H TYR 102 + HA LEU 101 OK 100 100 - 100 - 3.6=100 H LYS 31 - HA LEU 101 OK 32 87 - 37 - 111=5, 5834/3.0=5...(13) H PHE 40 - HA LEU 101 OK 31 97 - 32 - 1504/3.0=8, 5833/3.0=4...(10) H LEU 84 - HA LEU 101 OK 20 89 - 22 - 1504/3.0=4, 5836/4.0=4...(7) H GLU 28 - HA LEU 101 OK 18 83 - 22 - 1504/3.0=4, 5836/4.0=4...(7) H SER 13 - HA LEU 101 poor 10 78 - 13 - 5833/3.0=3, 1504/3.0=3...(5) H GLN 16 - HA LEU 101 poor 10 60 - 16 - 4.6/4646=2, 5834/3.0=2...(8) H GLY 2 - HA LEU 101 lone 7 98 - 7 - 5833/3.0=1, 5834/3.0=1 Peak 5833 from cnoeabs.peaks (8.48, 2.10, 42.21 ppm; 4.94 A): 1 out of 8 assignments used, quality = 1.00: * H TYR 102 + HB2 LEU 101 OK 100 100 - 100 - 4.6=100 H LYS 31 - HB2 LEU 101 OK 30 87 - 34 - 5834/1.8=5, 111/3.0=5...(13) H PHE 40 - HB2 LEU 101 OK 28 97 - 29 - 1504/4.0=6, 5832/3.0=4...(7) H LEU 84 - HB2 LEU 101 OK 24 89 - 27 - 5836/3.1=4, 5837/3.1=4...(8) H SER 13 - HB2 LEU 101 OK 23 78 - 30 - 4.6/6285=7, 4.7/6283=7...(10) H GLU 28 - HB2 LEU 101 OK 20 83 - 24 - 5836/3.1=4, 5837/3.1=4...(8) H GLN 16 - HB2 LEU 101 OK 13 60 - 22 - 5834/1.8=2, 3.6/1906=2...(11) H GLY 2 - HB2 LEU 101 lone 7 98 - 7 - 5834/1.8=1, 5832/3.0=1 Peak 5834 from cnoeabs.peaks (8.48, 1.44, 42.21 ppm; 5.25 A): 1 out of 8 assignments used, quality = 1.00: * H TYR 102 + HB3 LEU 101 OK 100 100 - 100 - 4.6=100 H LYS 31 - HB3 LEU 101 OK 38 87 - 44 - 3.6/8245=9, 5833/1.8=5...(16) H PHE 40 - HB3 LEU 101 OK 32 97 - 33 - 1504/4.0=7, 5833/1.8=5...(7) H LEU 84 - HB3 LEU 101 OK 26 89 - 30 - 5836/3.1=5, 5837/3.1=5...(7) H GLU 28 - HB3 LEU 101 OK 24 83 - 28 - 5836/3.1=5, 5837/3.1=4...(9) H GLN 16 - HB3 LEU 101 OK 17 60 - 28 - 3.6/8187=4, 4.6/4660=3...(13) H SER 13 - HB3 LEU 101 OK 12 78 - 15 - 5833/1.8=4, 1504/4.0=2...(6) H GLY 2 - HB3 LEU 101 lone 8 98 - 8 - 5833/1.8=1, 5832/3.0=1...(4) Peak 5835 from cnoeabs.peaks (8.48, 1.62, 27.50 ppm; 4.96 A): 5 out of 24 assignments used, quality = 0.93: * H TYR 102 + HG LEU 101 OK 73 100 - 73 - 505/2.1=23, 501/3.0=17...(10) H LYS 31 + HG LEU 101 OK 34 87 - 39 - 5837/2.1=5, 5836/2.1=5...(15) H PHE 40 + HG LEU 101 OK 32 97 - 33 - 1504/4.9=5, 5836/2.1=5...(10) H LEU 84 + HG LEU 101 OK 25 89 - 29 - 5836/2.1=5, 5837/2.1=5...(9) H GLU 28 + HG LEU 101 OK 20 83 - 24 - 5836/2.1=5, 5837/2.1=4...(8) H PHE 40 - HG2 ARG 53 OK 19 92 - 21 - 4.6/3145=5, 941/4.0=4...(5) H TYR 102 - HG2 ARG 53 OK 15 97 - 16 - 4.9/4671=3, 503=2...(7) H PHE 40 - HB3 GLN 42 OK 15 42 - 36 - 1582/4.0=18, 3.6/6014=7...(7) H SER 13 - HG2 ARG 53 OK 14 72 - 19 - ~8690=4, ~8689=3...(8) H GLN 16 - HG LEU 101 OK 12 60 - 20 - ~7701=3, 5836/2.1=2...(9) H LYS 31 - HG2 ARG 53 OK 11 81 - 13 - 2.9/2401=1, 4.0/2421=1...(5) H SER 13 - HG LEU 101 OK 10 78 - 13 - 5833/3.0=3, 1504/4.9=2...(6) H TYR 102 - HB3 GLN 42 poor 10 46 - 22 - 4.9/4676=4, 4.6/1275=3...(7) H GLY 2 - HG LEU 101 lone 8 98 - 8 - 5837/2.1=1, 5836/2.1=1...(4) H LEU 84 - HG2 ARG 53 lone 8 82 - 10 - 1689/5.0=2 H GLU 28 - HB3 GLN 42 poor 8 32 - 24 - 98/4.4=4, 3.6/2266=3...(10) H GLY 2 - HG2 ARG 53 lone 7 93 - 7 - H LYS 31 - HB3 GLN 42 poor 4 34 - 11 - 3.9/2370=2, 115/3.0=1 H GLU 28 - HG2 ARG 53 lone 4 77 - 5 - H LEU 84 - HB3 GLN 42 lone 3 35 - 8 - 407/3.0=3 H GLN 16 - HG2 ARG 53 lone 1 55 - 3 - H SER 13 - HB3 GLN 42 lone 1 30 - 3 - H GLY 2 - HB3 GLN 42 lone 1 42 - 2 - H GLN 16 - HB3 GLN 42 lone 1 21 - 2 - Peak 5836 from cnoeabs.peaks (8.48, 0.99, 22.75 ppm; 4.74 A): 1 out of 8 assignments used, quality = 0.98: * H TYR 102 + QD1 LEU 101 OK 98 100 - 98 - 4.9=92, 505/2.1=22...(16) H LEU 84 - QD1 LEU 101 OK 35 89 - 39 - 4.6/7708=7, 5837/2.1=5...(12) H PHE 40 - QD1 LEU 101 OK 34 97 - 35 - 1504/4.7=5, 5837/2.1=4...(11) H GLU 28 - QD1 LEU 101 OK 33 83 - 40 - 4.3/8445=6, 4.6/7722=5...(14) H LYS 31 - QD1 LEU 101 OK 33 87 - 38 - 3.6/4673=5, 5837/2.1=5...(15) H GLN 16 - QD1 LEU 101 OK 16 60 - 26 - 3.6/6320=6, 3.0/7701=4...(12) H SER 13 - QD1 LEU 101 OK 10 78 - 13 - 5833/3.1=3, 1504/4.7=2...(6) H GLY 2 - QD1 LEU 101 lone 7 98 - 7 - 5837/2.1=1 Peak 5837 from cnoeabs.peaks (8.48, 1.03, 27.12 ppm; 4.78 A): 1 out of 8 assignments used, quality = 0.99: * H TYR 102 + QD2 LEU 101 OK 99 100 - 99 - 4.9=95, 3.6/4650=21...(15) H LYS 31 - QD2 LEU 101 OK 33 87 - 38 - 3.9/8034=5, 5836/2.1=5...(15) H LEU 84 - QD2 LEU 101 OK 31 89 - 35 - 4.6/7711=5, 5836/2.1=5...(13) H PHE 40 - QD2 LEU 101 OK 28 97 - 29 - 1504/4.7=5, 5836/2.1=5...(8) H GLU 28 - QD2 LEU 101 OK 27 83 - 32 - 5836/2.1=5, 5834/3.1=3...(13) H GLN 16 - QD2 LEU 101 OK 12 60 - 20 - ~7701=3, 5836/2.1=2...(11) H SER 13 - QD2 LEU 101 poor 10 78 - 12 - 5833/3.1=3, 1504/4.7=2...(6) H GLY 2 - QD2 LEU 101 lone 7 98 - 7 - 5836/2.1=1 Peak 5838 from cnoeabs.peaks (7.89, 4.05, 62.54 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 103 + HA TYR 102 OK 100 100 - 100 - 3.6=100 H ASP 36 - HA TYR 102 OK 43 90 - 48 - 1505/2.9=10, 5839/3.0=8...(10) Peak 5839 from cnoeabs.peaks (7.89, 3.04, 39.45 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 103 + HB2 TYR 102 OK 100 100 - 100 - 4.6=100 H ASP 36 - HB2 TYR 102 OK 42 90 - 47 - 5838/3.0=12, 5840/1.8=11...(9) Peak 5840 from cnoeabs.peaks (7.89, 3.00, 39.45 ppm; 5.50 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 103 + HB3 TYR 102 OK 100 100 - 100 - 4.6=100 H ASP 36 + HB3 TYR 102 OK 46 90 - 51 - 5839/1.8=13, 5838/3.0=13...(9) Peak 5843 from cnoeabs.peaks (7.47, 4.27, 54.96 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 104 + HA GLN 103 OK 100 100 - 100 - 3.6=100 H LYS 109 - HA GLN 103 OK 36 100 - 36 - 1506/2.9=10, 3.0/7772=6...(7) H ALA 43 - HA GLN 103 poor 10 81 - 12 - 5845/3.0=2, 1506/2.9=2...(5) Peak 5844 from cnoeabs.peaks (7.47, 2.37, 28.58 ppm; 5.33 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 104 + HB2 GLN 103 OK 100 100 - 100 - 4.4=100 H LYS 109 + HB2 GLN 103 OK 50 100 - 50 - 5847/3.0=13, 5845/1.8=12...(7) H ALA 43 - HB2 GLN 103 OK 15 81 - 19 - 5845/1.8=5, 5847/3.0=4...(6) H GLY 104 - HG2 PRO 70 OK 15 75 - 20 - 514=4, 8568/3.8=4...(5) H ALA 43 - HG2 PRO 70 lone 5 53 - 9 - 1598/2.3=3, ~6809=1 H LYS 109 - HG2 PRO 70 lone 3 75 - 4 - Peak 5845 from cnoeabs.peaks (7.47, 1.98, 28.58 ppm; 5.21 A): 2 out of 3 assignments used, quality = 1.00: * H GLY 104 + HB3 GLN 103 OK 100 100 - 100 - 4.4=100 H LYS 109 + HB3 GLN 103 OK 50 100 - 50 - 5847/3.0=12, 1506/4.0=12...(8) H ALA 43 - HB3 GLN 103 OK 19 81 - 24 - 5847/3.0=4, 5844/1.8=3...(9) Peak 5847 from cnoeabs.peaks (7.47, 2.52, 33.36 ppm; 5.12 A): 3 out of 3 assignments used, quality = 0.81: * H GLY 104 + HG3 GLN 103 OK 63 100 - 63 - 512/5.0=28, 517=26...(5) H LYS 109 + HG3 GLN 103 OK 41 100 - 41 - 5845/3.0=10, 1506/5.0=9...(6) H ALA 43 + HG3 GLN 103 OK 12 81 - 15 - 5845/3.0=4, 5844/3.0=3...(6) Peak 5848 from cnoeabs.peaks (8.09, 3.71, 46.42 ppm; 4.57 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 105 + HA2 GLY 104 OK 100 100 - 100 - 3.6=100 H THR 33 - HA2 GLY 104 OK 17 95 - 18 - 5849/1.8=5, 1507/3.0=5...(6) H GLY 39 - HA2 GLY 104 OK 13 99 - 14 - 1507/3.0=5, ~6016=3...(4) H SER 78 - HA2 GLY 104 OK 11 92 - 12 - 1507/3.0=4, 5849/1.8=3...(4) HD22 ASN 79 - HA2 GLY 104 lone 6 85 - 7 - 1507/3.0=2, 5849/1.8=2 H LEU 24 - HA2 GLY 104 lone 6 100 - 6 - 1507/3.0=2, 5849/1.8=2 Peak 5849 from cnoeabs.peaks (8.09, 3.86, 46.42 ppm; 4.46 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 105 + HA3 GLY 104 OK 100 100 - 100 - 3.6=100 H THR 33 - HA3 GLY 104 OK 18 95 - 19 - 1507/3.0=4, 5848/1.8=4...(6) H GLY 39 - HA3 GLY 104 OK 13 99 - 13 - 1507/3.0=5, 5848/1.8=3, ~6016=3 H SER 78 - HA3 GLY 104 OK 13 92 - 14 - 1507/3.0=4, 5848/1.8=3, 367=2 H LEU 24 - HA3 GLY 104 lone 6 100 - 6 - 1507/3.0=2, 5848/1.8=2 HD22 ASN 79 - HA3 GLY 104 lone 6 85 - 7 - 1507/3.0=2, 5848/1.8=2 Peak 5850 from cnoeabs.peaks (8.63, 4.38, 55.52 ppm; 3.35 A): 2 out of 8 assignments used, quality = 0.93: * H ASN 106 + HA GLN 105 OK 91 100 - 91 - 3.6=83, 1508/2.9=17...(9) H VAL 120 + HA GLN 105 OK 17 89 - 19 - 1508/2.9=4, 5851/3.0=3...(9) H LEU 117 - HA GLN 105 lone 6 65 - 9 - 594=2, 1508/2.9=1, 5851/3.0=1 H ASN 106 - HA MET 11 lone 5 55 - 10 - 524=3, 4.6/1296=1, 4.1/4771=1 H SER 29 - HA GLN 105 lone 2 73 - 2 - H LEU 117 - HA MET 11 lone 2 29 - 5 - 594=2 H VAL 120 - HA MET 11 lone 1 43 - 3 - H SER 29 - HA MET 11 lone 0 33 - 1 - Peak 5851 from cnoeabs.peaks (8.63, 2.08, 29.98 ppm; 4.15 A): 1 out of 8 assignments used, quality = 1.00: * H ASN 106 + HB2 GLN 105 OK 100 100 - 100 - 4.1=100 H VAL 120 - HB2 GLN 105 OK 24 89 - 26 - 5852/1.8=6, 5850/3.0=5...(8) H LEU 117 - HB2 GLN 105 poor 7 65 - 11 - 5850/3.0=2, 5852/1.8=2...(4) H SER 29 - HB2 GLN 105 lone 3 73 - 4 - H VAL 120 - HB3 ARG 81 lone 2 30 - 8 - 1795/3.0=4, 611/1.8=1 H ASN 106 - HB3 ARG 81 lone 2 38 - 6 - 7786/3.5=1, 525=1 H LEU 117 - HB3 ARG 81 lone 2 20 - 9 - 1369/3.0=3, ~4113=2 H SER 29 - HB3 ARG 81 lone 0 23 - 2 - Peak 5852 from cnoeabs.peaks (8.63, 1.82, 29.98 ppm; 4.20 A): 1 out of 8 assignments used, quality = 1.00: * H ASN 106 + HB3 GLN 105 OK 100 100 - 100 - 4.1=100 H VAL 120 - HB3 GLN 105 OK 24 89 - 27 - 5851/1.8=7, 5850/3.0=5...(8) H ASN 106 - HB2 GLU 69 OK 19 92 - 21 - 526=5, 3.6/4765=4...(7) H LEU 117 - HB3 GLN 105 poor 7 65 - 11 - 5851/1.8=2, 5850/3.0=2...(6) H SER 29 - HB3 GLN 105 lone 3 73 - 4 - H VAL 120 - HB2 GLU 69 lone 2 77 - 3 - H LEU 117 - HB2 GLU 69 lone 2 55 - 3 - 1778/4.8=1 H SER 29 - HB2 GLU 69 lone 1 62 - 1 - Peak 5853 from cnoeabs.peaks (8.63, 2.28, 33.51 ppm; 4.52 A): 2 out of 12 assignments used, quality = 1.00: * H ASN 106 + HG2 GLN 105 OK 95 100 - 95 - 4.8=82, 5850/4.1=24...(8) H ASN 106 + HG3 GLN 105 OK 95 100 - 95 - 4.8=82, 5850/4.1=24...(8) H VAL 120 - HG2 GLN 105 OK 34 89 - 38 - 5851/3.0=6, 1393/1.8=5...(11) H VAL 120 - HG3 GLN 105 OK 34 89 - 38 - 5851/3.0=6, 1393/1.8=5...(11) H LEU 117 - HG2 GLN 105 OK 11 65 - 16 - 4.3/7991=3, 3.0/6258=2...(8) H LEU 117 - HG3 GLN 105 OK 11 65 - 16 - 4.3/7991=3, 5851/3.0=2...(8) H ASN 106 - HG2 GLN 16 poor 6 40 - 15 - 527=2, 525/3.0=2...(7) H SER 29 - HG2 GLN 105 lone 3 73 - 4 - H SER 29 - HG3 GLN 105 lone 3 73 - 4 - H VAL 120 - HG2 GLN 16 lone 2 31 - 6 - H LEU 117 - HG2 GLN 16 lone 1 21 - 5 - 4.6/38=1 H SER 29 - HG2 GLN 16 lone 0 24 - 1 - Peak 5854 from cnoeabs.peaks (8.63, 2.28, 33.51 ppm; 4.57 A): 2 out of 12 assignments used, quality = 1.00: * H ASN 106 + HG3 GLN 105 OK 96 100 - 96 - 4.8=85, 5850/4.1=24...(8) H ASN 106 + HG2 GLN 105 OK 96 100 - 96 - 4.8=85, 5850/4.1=24...(8) H VAL 120 - HG2 GLN 105 OK 34 89 - 39 - 5851/3.0=6, 5852/3.0=5...(11) H VAL 120 - HG3 GLN 105 OK 34 89 - 39 - 5851/3.0=6, 1393/1.8=5...(11) H LEU 117 - HG2 GLN 105 OK 11 65 - 16 - 4.3/7991=3, 5851/3.0=2...(8) H LEU 117 - HG3 GLN 105 OK 11 65 - 16 - 4.3/7991=3, 5851/3.0=2...(8) H ASN 106 - HG2 GLN 16 poor 6 39 - 15 - 525/3.0=2, 525/3.0=2...(7) H SER 29 - HG3 GLN 105 lone 3 73 - 4 - H SER 29 - HG2 GLN 105 lone 3 73 - 4 - H VAL 120 - HG2 GLN 16 lone 2 30 - 6 - H LEU 117 - HG2 GLN 16 lone 1 20 - 5 - 4.6/38=1 H SER 29 - HG2 GLN 16 lone 0 23 - 1 - Peak 5855 from cnoeabs.peaks (8.95, 4.65, 53.03 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 107 + HA ASN 106 OK 100 100 - 100 - 3.6=100 H LEU 54 - HA ASN 106 OK 12 96 - 12 - 1509/2.9=4, 5856/3.0=3...(4) Peak 5856 from cnoeabs.peaks (8.95, 2.90, 37.18 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 107 + HB2 ASN 106 OK 100 100 - 100 - 4.5=100 H LEU 54 - HB2 ASN 106 OK 17 96 - 17 - 5855/3.0=4, 1509/3.9=4...(5) Peak 5857 from cnoeabs.peaks (8.95, 2.72, 37.18 ppm; 4.81 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 107 + HB3 ASN 106 OK 100 100 - 100 - 4.5=100 H PHE 107 + HB3 ASN 108 OK 62 92 - 68 - 537/4.0=28, 1742/4.6=19...(10) H LEU 54 - HB3 ASN 106 OK 16 96 - 17 - 5856/1.8=5, 5855/3.0=4...(4) H LEU 54 - HB3 ASN 108 OK 11 85 - 13 - 537/4.0=7, 1742/4.6=3 Peak 5858 from cnoeabs.peaks (8.84, 4.01, 61.43 ppm; 4.88 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 108 + HA PHE 107 OK 100 100 - 100 - 3.6=100 H ALA 14 + HA PHE 107 OK 48 100 - 49 - 4764/3.7=9, 5859/3.0=8...(13) H VAL 50 - HA PHE 107 OK 31 99 - 32 - 1510/3.0=7, ~6049=6...(6) Peak 5859 from cnoeabs.peaks (8.84, 3.11, 38.54 ppm; 5.15 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 108 + HB2 PHE 107 OK 100 100 - 100 - 4.6=100 H ALA 14 + HB2 PHE 107 OK 52 100 - 52 - 4764/2.4=13, 5858/3.0=10...(10) H VAL 50 - HB2 PHE 107 OK 36 99 - 36 - 3.0/6916=7, 1510/4.0=6...(7) Peak 5860 from cnoeabs.peaks (8.84, 2.84, 38.54 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.99: * H ASN 108 + HB3 PHE 107 OK 99 100 - 99 - 4.6=98, 537/4.0=25...(6) H ALA 14 - HB3 PHE 107 OK 44 100 - 44 - 4764/2.4=10, 5859/1.8=9...(9) H ASN 108 - HB2 ASN 99 OK 31 81 - 38 - 540=8, 1319/1.8=7...(11) H VAL 50 - HB3 PHE 107 OK 28 99 - 28 - 5859/1.8=6, 1510/4.0=5...(7) H ALA 14 - HB2 ASN 99 lone 7 80 - 9 - 1429/4.1=3, 4.6/4620=2 H VAL 50 - HB2 ASN 99 lone 4 78 - 5 - 3.6/6897=1 Peak 5864 from cnoeabs.peaks (7.48, 4.14, 56.45 ppm; 4.25 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 109 + HA ASN 108 OK 100 100 - 100 - 3.6=100 H LYS 109 - HA ALA 98 OK 23 99 - 23 - 545=6, 4.6/4869=5...(6) H GLY 104 - HA ASN 108 OK 15 100 - 15 - 1511/3.0=6, 5865/3.0=4 H ALA 43 - HA ASN 108 lone 8 85 - 10 - 4.7/6203=2, 1511/3.0=2...(4) H LYS 109 - HA ARG 57 poor 7 42 - 16 - 1743/3.6=5, ~6210=3...(4) H GLY 104 - HA ALA 98 lone 4 98 - 4 - H ALA 43 - HA ALA 98 lone 3 81 - 4 - 4.7/6203=1 H GLY 104 - HA ARG 57 lone 1 42 - 1 - H ALA 43 - HA ARG 57 lone 0 31 - 2 - Peak 5865 from cnoeabs.peaks (7.48, 2.79, 36.99 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.83: * H LYS 109 + HB2 ASN 108 OK 80 100 - 80 - 4.6=66, 1511/4.0=21...(5) H GLY 104 + HB2 ASN 108 OK 11 100 - 11 - 1511/4.0=4, 5866/1.8=3 H ALA 43 - HB2 ASN 108 lone 4 85 - 5 - 5864/3.0=1, 1511/4.0=1 Peak 5866 from cnoeabs.peaks (7.48, 2.73, 36.99 ppm; 3.88 A): 4 out of 6 assignments used, quality = 0.94: * H LYS 109 + HB3 ASN 108 OK 83 100 - 83 - 4.6=59, 546/1.8=33...(10) H LYS 109 + HB3 ASN 106 OK 55 92 - 59 - 7808/1.8=18, 547=17...(10) H GLY 104 + HB3 ASN 108 OK 13 100 - 13 - 1511/4.0=4, 5865/1.8=4 H GLY 104 + HB3 ASN 106 OK 12 92 - 13 - 7808/1.8=6, 1739/4.5=3 H ALA 43 - HB3 ASN 108 lone 6 85 - 7 - 5865/1.8=2, 5864/3.0=1 H ALA 43 - HB3 ASN 106 lone 6 73 - 7 - 7808/1.8=2, 1600/3.5=1 Peak 5867 from cnoeabs.peaks (6.79, 4.05, 58.55 ppm; 4.48 A): 1 out of 10 assignments used, quality = 1.00: * H VAL 110 + HA LYS 109 OK 100 100 - 100 - 3.6=100 QE TYR 67 - HA LYS 109 OK 27 100 - 27 - 1512/3.0=7, 5868/2.9=6...(6) HH2 TRP 20 - HA LYS 109 OK 25 100 - 25 - 5869/2.9=5, 5868/2.9=5...(8) HE21 GLN 42 - HA LYS 109 OK 21 71 - 30 - 1512/3.0=6, ~6783=4...(9) HD22 ASN 99 - HA LYS 109 poor 7 65 - 10 - 1512/3.0=2, ~547=2...(6) H VAL 110 - HA GLN 16 lone 4 50 - 7 - 551=1, 4.7/1748=1 HH2 TRP 20 - HA GLN 16 lone 1 50 - 2 - QE TYR 67 - HA GLN 16 lone 1 50 - 2 - HE21 GLN 42 - HA GLN 16 lone 1 29 - 3 - HD22 ASN 99 - HA GLN 16 lone 0 26 - 1 - Peak 5868 from cnoeabs.peaks (6.79, 1.94, 32.56 ppm; 4.26 A): 2 out of 5 assignments used, quality = 0.94: * H VAL 110 + HB2 LYS 109 OK 92 100 - 92 - 4.6=78, 4.0/8450=21...(10) QE TYR 67 + HB2 LYS 109 OK 28 100 - 28 - 5869/1.8=6, 1512/4.0=5...(8) HH2 TRP 20 - HB2 LYS 109 OK 25 100 - 25 - 5869/1.8=6, 5871/2.9=4...(9) HE21 GLN 42 - HB2 LYS 109 OK 17 71 - 24 - 1512/4.0=4, 5869/1.8=4...(9) HD22 ASN 99 - HB2 LYS 109 lone 6 65 - 10 - ~7841=2, 1512/4.0=2...(6) Peak 5869 from cnoeabs.peaks (6.79, 1.86, 32.56 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.94: * H VAL 110 + HB3 LYS 109 OK 94 100 - 94 - 4.6=82, 4.0/8449=22...(10) QE TYR 67 - HB3 LYS 109 OK 29 100 - 29 - 5868/1.8=7, 1512/4.0=6...(8) HH2 TRP 20 - HB3 LYS 109 OK 26 100 - 26 - 5868/1.8=6, 5871/2.9=4...(9) HE21 GLN 42 - HB3 LYS 109 OK 17 71 - 24 - 1512/4.0=4, 5868/1.8=4...(9) HD22 ASN 99 - HB3 LYS 109 poor 7 65 - 11 - 3.5/7841=3, 1512/4.0=2...(6) Peak 5871 from cnoeabs.peaks (6.79, 1.55, 24.99 ppm; 5.16 A): 4 out of 5 assignments used, quality = 0.90: * H VAL 110 + HG3 LYS 109 OK 75 100 - 75 - 550/4.7=24, 5868/2.9=23...(10) QE TYR 67 + HG3 LYS 109 OK 31 100 - 31 - 5868/2.9=7, 5869/2.9=7...(7) HH2 TRP 20 + HG3 LYS 109 OK 30 100 - 30 - 5869/2.9=6, 5868/2.9=6...(9) HE21 GLN 42 + HG3 LYS 109 OK 22 71 - 31 - 1512/4.7=5, ~6794=4...(11) HD22 ASN 99 - HG3 LYS 109 poor 10 65 - 15 - 3.5/7843=3, ~7841=2...(8) Peak 5876 from cnoeabs.peaks (7.70, 2.98, 64.26 ppm; 4.54 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 111 + HA VAL 110 OK 100 100 - 100 - 3.5=100 H THR 121 - HA VAL 110 OK 29 97 - 30 - 5877/3.0=7, 1513/3.0=6...(7) HE21 GLN 103 - HA VAL 110 OK 22 97 - 23 - 1513/3.0=4, 3.5/8155=4...(8) H LEU 58 - HA VAL 110 OK 19 76 - 25 - 1513/3.0=7, 5878/3.2=4...(6) H SER 90 - HA VAL 110 OK 12 76 - 15 - 4.5/6217=3, 5878/3.2=2...(6) H LEU 126 - HA VAL 110 lone 3 71 - 4 - Peak 5877 from cnoeabs.peaks (7.70, 1.39, 29.93 ppm; 3.70 A): 4 out of 6 assignments used, quality = 0.93: * H LEU 111 + HB VAL 110 OK 86 100 - 86 - 4.4=58, 564/2.1=29...(12) H THR 121 + HB VAL 110 OK 30 97 - 31 - 5878/2.1=5, 1399=4...(11) H LEU 58 + HB VAL 110 OK 17 76 - 23 - 5878/2.1=4, 1513/4.0=4...(9) HE21 GLN 103 + HB VAL 110 OK 12 97 - 12 - 5878/2.1=3, 5879/2.1=3...(4) H SER 90 - HB VAL 110 lone 7 76 - 9 - 5878/2.1=2, 5879/2.1=1 H LEU 126 - HB VAL 110 lone 2 71 - 3 - Peak 5878 from cnoeabs.peaks (7.70, 0.14, 19.30 ppm; 3.83 A): 2 out of 6 assignments used, quality = 0.94: * H LEU 111 + QG1 VAL 110 OK 93 100 - 93 - 4.3=73, 564/2.1=31...(11) H THR 121 + QG1 VAL 110 OK 26 97 - 27 - 5877/2.1=7, 5879/2.1=5...(8) H LEU 58 - QG1 VAL 110 OK 20 76 - 26 - 1513/4.0=4, 5877/2.1=4...(10) HE21 GLN 103 - QG1 VAL 110 OK 14 97 - 14 - 5877/2.1=3, 5879/2.1=3...(4) H SER 90 - QG1 VAL 110 OK 10 76 - 13 - 5877/2.1=2, 5879/2.1=1...(6) H LEU 126 - QG1 VAL 110 lone 3 71 - 4 - Peak 5879 from cnoeabs.peaks (7.70, 0.01, 19.30 ppm; 4.38 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 111 + QG2 VAL 110 OK 100 100 - 100 - 4.3=100 H THR 121 - QG2 VAL 110 OK 30 97 - 31 - 5877/2.1=8, 5878/2.1=7...(9) H LEU 58 - QG2 VAL 110 OK 23 76 - 31 - 1513/4.0=5, 5878/2.1=5...(11) HE21 GLN 103 - QG2 VAL 110 OK 18 97 - 18 - 5878/2.1=4, 5876/3.2=3...(5) H SER 90 - QG2 VAL 110 poor 9 76 - 12 - 5878/2.1=3, 5877/2.1=2...(6) H LEU 126 - QG2 VAL 110 lone 3 71 - 3 - Peak 5880 from cnoeabs.peaks (8.03, 3.61, 57.62 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * H SER 112 + HA LEU 111 OK 100 100 - 100 - 3.6=100 H THR 116 + HA LEU 111 OK 50 92 - 55 - 4.6/6224=11, 588=7...(16) H GLN 42 - HA LEU 111 OK 41 85 - 48 - 1591=9, 5881/3.0=5...(16) H THR 19 - HA LEU 111 OK 26 92 - 28 - 49/3.0=6, 5881/3.0=5...(8) Peak 5881 from cnoeabs.peaks (8.03, 1.39, 40.93 ppm; 3.85 A): 4 out of 4 assignments used, quality = 0.94: * H SER 112 + HB2 LEU 111 OK 84 100 - 84 - 4.6=58, 568/1.8=22...(13) H THR 116 + HB2 LEU 111 OK 32 92 - 35 - 3.6/4998=6, 5880/3.0=6...(8) H GLN 42 + HB2 LEU 111 OK 26 85 - 31 - 5882/1.8=6, 1591/3.0=5...(10) H THR 19 + HB2 LEU 111 OK 24 92 - 26 - 49/1.8=6, 5884/3.1=4...(8) Peak 5882 from cnoeabs.peaks (8.03, 1.21, 40.93 ppm; 3.89 A): 4 out of 8 assignments used, quality = 0.95: * H SER 112 + HB3 LEU 111 OK 84 100 - 84 - 4.6=59, 5881/1.8=19...(12) H THR 116 + HB3 LEU 111 OK 35 92 - 38 - 5881/1.8=7, 4.3/7978=7...(9) H GLN 42 + HB3 LEU 111 OK 35 85 - 41 - 5881/1.8=6, 1591/3.0=6...(15) H THR 19 + HB3 LEU 111 OK 32 92 - 35 - 49=8, 5881/1.8=5...(11) H THR 19 - HB2 LEU 77 OK 11 45 - 24 - 49=5, 3.6/1989=3...(10) H SER 112 - HB2 LEU 77 OK 11 55 - 20 - 568=4, 3.6/4993=3...(6) H GLN 42 - HB2 LEU 77 poor 9 40 - 22 - 3.6/6748=3, 954/1.8=3...(7) H THR 116 - HB2 LEU 77 poor 5 45 - 11 - 4.3/7978=3, 1365/3.0=1 Peak 5883 from cnoeabs.peaks (8.03, 0.75, 24.58 ppm; 4.80 A): 2 out of 12 assignments used, quality = 1.00: * H SER 112 + HG LEU 111 OK 99 100 - 99 - 4.9=96, 568/3.0=23...(14) H SER 112 + QD2 LEU 111 OK 61 76 - 80 - 568/3.1=22, 570/2.1=21...(15) H THR 116 - HG LEU 111 OK 44 92 - 48 - 5884/2.1=9, 5881/3.0=8...(12) H GLN 42 - HG LEU 111 OK 31 85 - 37 - 5884/2.1=8, 5881/3.0=6...(8) H THR 116 - QD2 LEU 111 OK 30 64 - 47 - 5884/2.1=9, 5881/3.1=8...(12) H THR 116 - QD2 LEU 93 OK 29 73 - 40 - 4.1/7989=13, 4.6/8002=6...(8) H THR 19 - HG LEU 111 OK 29 92 - 32 - 5884/2.1=7, 49/3.0=7...(8) H SER 112 - QD2 LEU 93 OK 25 85 - 30 - 569=5, 3.6/4994=4...(7) H GLN 42 - QD2 LEU 111 OK 22 58 - 37 - 5884/2.1=8, 1591/4.0=7...(9) H THR 19 - QD2 LEU 111 OK 20 64 - 31 - 5884/2.1=7, 49/3.1=7...(8) H GLN 42 - QD2 LEU 93 lone 6 66 - 9 - 4.6/5805=1 H THR 19 - QD2 LEU 93 lone 6 73 - 8 - 5126/7989=1 Peak 5884 from cnoeabs.peaks (8.03, 0.80, 24.39 ppm; 4.30 A): 4 out of 4 assignments used, quality = 0.94: * H SER 112 + QD1 LEU 111 OK 80 100 - 80 - 570=24, 568/3.1=19...(14) H THR 116 + QD1 LEU 111 OK 38 92 - 41 - 3.6/5019=7, 5881/3.1=7...(12) H GLN 42 + QD1 LEU 111 OK 32 85 - 38 - 1591/4.0=5, 5881/3.1=5...(13) H THR 19 + QD1 LEU 111 OK 30 92 - 33 - 49/3.1=6, 5881/3.1=5...(10) Peak 5885 from cnoeabs.peaks (8.03, 0.73, 24.77 ppm; 4.25 A): 3 out of 12 assignments used, quality = 0.95: * H SER 112 + QD2 LEU 111 OK 77 100 - 77 - 568/3.1=19, 570/2.1=17...(15) H SER 112 + HG LEU 111 OK 68 76 - 90 - 4.9=67, 568/3.0=20...(12) H THR 116 + QD2 LEU 111 OK 39 92 - 42 - 5884/2.1=8, 5881/3.1=6...(10) H GLN 42 - QD2 LEU 111 OK 28 85 - 33 - 5884/2.1=6, 1591/4.0=5...(9) H THR 116 - HG LEU 111 OK 26 64 - 41 - 5884/2.1=7, 5881/3.0=7...(10) H THR 19 - QD2 LEU 111 OK 25 92 - 27 - 5884/2.1=6, 49/3.1=6...(7) H THR 116 - QD2 LEU 93 OK 21 66 - 33 - 4.1/7989=11, 590/2.1=5...(8) H SER 112 - QD2 LEU 93 OK 19 77 - 24 - 569=4, 567/3.1=3...(7) H GLN 42 - HG LEU 111 OK 18 58 - 32 - 5884/2.1=6, 5881/3.0=5...(8) H THR 19 - HG LEU 111 OK 17 64 - 26 - 5884/2.1=6, 49/3.0=6...(7) H GLN 42 - QD2 LEU 93 lone 4 59 - 7 - H THR 19 - QD2 LEU 93 lone 4 66 - 6 - 5126/7989=1 Peak 5886 from cnoeabs.peaks (7.58, 4.06, 61.58 ppm; 4.53 A): 1 out of 6 assignments used, quality = 1.00: * H SER 113 + HA SER 112 OK 100 100 - 100 - 3.6=100 H ARG 57 - HA SER 112 OK 29 92 - 32 - 1637=7, 1515/3.0=5...(10) H CYS 76 - HA SER 112 OK 22 92 - 24 - 1515/3.0=6, 5044/4.9=4...(8) H LYS 119 - HA SER 112 OK 22 87 - 25 - 1515/3.0=6, 6218/4.8=5...(9) H CYS 52 - HA SER 112 OK 12 99 - 12 - 1515/3.0=3, 6218/4.8=2...(5) HE3 TRP 20 - HA SER 112 lone 3 60 - 5 - Peak 5887 from cnoeabs.peaks (7.58, 3.89, 62.40 ppm; 3.60 A): 6 out of 12 assignments used, quality = 0.94: * H SER 113 + HB2 SER 112 OK 67 100 - 67 - 4.5=49, 1761/3.0=14...(4) H SER 113 + HB3 SER 112 OK 67 100 - 67 - 4.5=49, 1761/3.0=14...(4) H ARG 57 + HB2 SER 112 OK 15 92 - 16 - 1637/3.0=3, 1515/3.9=3...(6) H ARG 57 + HB3 SER 112 OK 15 92 - 16 - 1637/3.0=3, 1515/3.9=3...(6) H CYS 76 + HB2 SER 112 OK 11 92 - 12 - 1515/3.9=3, 5886/3.0=2...(6) H CYS 76 + HB3 SER 112 OK 11 92 - 12 - 1515/3.9=3, 5886/3.0=2...(6) H LYS 119 - HB2 SER 112 lone 7 87 - 9 - 1515/3.9=3, 5886/3.0=2 H LYS 119 - HB3 SER 112 lone 7 87 - 9 - 1515/3.9=3, 5886/3.0=2 H CYS 52 - HB2 SER 112 lone 5 99 - 5 - 1515/3.9=2, 5886/3.0=1 H CYS 52 - HB3 SER 112 lone 5 99 - 5 - 1515/3.9=2, 5886/3.0=1 HE3 TRP 20 - HB2 SER 112 lone 1 60 - 1 - HE3 TRP 20 - HB3 SER 112 lone 1 60 - 1 - Peak 5888 from cnoeabs.peaks (7.58, 3.89, 62.40 ppm; 3.60 A): 6 out of 12 assignments used, quality = 0.94: * H SER 113 + HB3 SER 112 OK 67 100 - 67 - 4.5=49, 1761/3.0=14...(4) H SER 113 + HB2 SER 112 OK 67 100 - 67 - 4.5=49, 1761/3.0=14...(4) H ARG 57 + HB3 SER 112 OK 15 92 - 16 - 1637/3.0=3, 1515/3.9=3...(5) H ARG 57 + HB2 SER 112 OK 15 92 - 16 - 1637/3.0=3, 1515/3.9=3...(6) H CYS 76 + HB3 SER 112 OK 11 92 - 12 - 1515/3.9=3, 5886/3.0=2...(6) H CYS 76 + HB2 SER 112 OK 11 92 - 12 - 1515/3.9=3, 5886/3.0=2...(6) H LYS 119 - HB3 SER 112 lone 7 87 - 9 - 1515/3.9=3, 5886/3.0=2 H LYS 119 - HB2 SER 112 lone 7 87 - 9 - 1515/3.9=3, 5886/3.0=2 H CYS 52 - HB3 SER 112 lone 5 99 - 5 - 1515/3.9=2, 5886/3.0=1 H CYS 52 - HB2 SER 112 lone 5 99 - 5 - 1515/3.9=2, 5886/3.0=1 HE3 TRP 20 - HB3 SER 112 lone 1 60 - 1 - HE3 TRP 20 - HB2 SER 112 lone 1 60 - 1 - Peak 5890 from cnoeabs.peaks (7.97, 4.15, 63.31 ppm; 4.27 A): 4 out of 7 assignments used, quality = 0.94: * H LEU 114 + HB2 SER 113 OK 90 100 - 90 - 4.7=78, 5891/1.8=20...(11) H VAL 66 + HB2 SER 113 OK 21 97 - 21 - 5891/1.8=6, 3.6/5051=3...(5) H ALA 89 + HB2 SER 113 OK 17 92 - 18 - 5891/1.8=3, 578=3...(4) H ARG 92 + HB2 SER 113 OK 14 97 - 15 - 5891/1.8=3, 8598/3.0=2...(5) HE ARG 85 - HB2 SER 113 lone 7 97 - 7 - 5891/1.8=1 H THR 17 - HB2 SER 113 lone 5 78 - 6 - 1516/4.0=1, 5891/1.8=1 H SER 44 - HB2 SER 113 lone 5 73 - 6 - 1516/4.0=1, 8598/3.0=1 Peak 5891 from cnoeabs.peaks (7.97, 4.30, 63.31 ppm; 4.49 A): 1 out of 7 assignments used, quality = 0.97: * H LEU 114 + HB3 SER 113 OK 97 100 - 97 - 4.7=90, 5890/1.8=24...(14) H VAL 66 - HB3 SER 113 OK 30 97 - 31 - 5890/1.8=5, 306=5...(9) H ALA 89 - HB3 SER 113 OK 17 92 - 19 - 5890/1.8=4, 8598/3.0=3...(4) H ARG 92 - HB3 SER 113 OK 16 97 - 16 - 5890/1.8=4, 8598/3.0=2...(4) HE ARG 85 - HB3 SER 113 lone 7 97 - 7 - 5890/1.8=2, 8598/3.0=1 H SER 44 - HB3 SER 113 lone 5 73 - 7 - 1516/4.0=2, 8598/3.0=1 H THR 17 - HB3 SER 113 lone 5 78 - 7 - 1516/4.0=1, 5890/1.8=1 Peak 5892 from cnoeabs.peaks (8.37, 4.29, 57.63 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 115 + HA LEU 114 OK 100 100 - 100 - 3.6=100 H ILE 80 + HA LEU 114 OK 55 99 - 56 - 5893/3.0=11, 5896/4.0=11...(14) H SER 74 - HA LEU 114 OK 12 78 - 15 - 1517/3.0=2, 5893/3.0=2...(6) Peak 5893 from cnoeabs.peaks (8.37, 2.08, 41.47 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 115 + HB2 LEU 114 OK 100 100 - 100 - 4.6=100 H ILE 80 + HB2 LEU 114 OK 62 99 - 62 - 5896/3.1=14, 5894/1.8=13...(15) H SER 74 - HB2 LEU 114 OK 12 78 - 15 - 5894/1.8=3, 5896/3.1=2...(6) Peak 5894 from cnoeabs.peaks (8.37, 1.50, 41.47 ppm; 4.77 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 115 + HB3 LEU 114 OK 100 100 - 100 - 4.6=100 H ILE 80 + HB3 LEU 114 OK 60 99 - 60 - 5893/1.8=15, 5896/3.1=14...(13) H SER 74 - HB3 LEU 114 OK 12 78 - 15 - 5893/1.8=3, 5896/3.1=3...(6) Peak 5895 from cnoeabs.peaks (8.37, 1.98, 26.72 ppm; 5.23 A): 2 out of 6 assignments used, quality = 0.95: * H VAL 115 + HG LEU 114 OK 86 100 - 86 - 5896/2.1=25, 582/3.0=19...(17) H ILE 80 + HG LEU 114 OK 65 99 - 65 - 5896/2.1=18, 5893/3.0=14...(14) H VAL 115 - HG2 PRO 68 OK 19 71 - 28 - 4.6/5067=4, 3.6/5060=4...(9) H SER 74 - HG LEU 114 OK 14 78 - 17 - 5896/2.1=3, 5893/3.0=3...(6) H ILE 80 - HG2 PRO 68 lone 6 69 - 9 - 380/2.3=1 H SER 74 - HG2 PRO 68 lone 2 48 - 3 - Peak 5896 from cnoeabs.peaks (8.37, 0.85, 22.18 ppm; 4.33 A): 3 out of 3 assignments used, quality = 0.92: * H VAL 115 + QD2 LEU 114 OK 78 100 - 78 - 3.6/5085=17, 582/3.1=15...(18) H ILE 80 + QD2 LEU 114 OK 59 99 - 59 - 5893/3.1=10, 1160=10...(16) H SER 74 + QD2 LEU 114 OK 10 78 - 13 - 5893/3.1=2, 5895/2.1=2...(6) Peak 5897 from cnoeabs.peaks (8.37, 0.72, 26.03 ppm; 4.95 A): 2 out of 12 assignments used, quality = 0.93: * H VAL 115 + QD1 LEU 114 OK 81 100 - 81 - 5896/2.1=23, 1517/4.4=18...(15) H ILE 80 + QD1 LEU 114 OK 63 99 - 64 - 5896/2.1=18, 5893/3.1=12...(13) H ILE 80 - QD1 LEU 84 OK 22 64 - 34 - ~7426=9, 4.0/7402=9...(8) H VAL 115 - QD2 LEU 54 OK 21 89 - 23 - 4.6/5069=4, 586=4...(6) H VAL 115 - QD1 LEU 91 OK 19 54 - 35 - 586=5, 3.6/5062=5...(10) H ILE 80 - QD2 LEU 54 OK 17 87 - 19 - 4.9/7420=4, 4.0/3216=3...(6) H SER 74 - QD1 LEU 114 OK 16 78 - 20 - 5896/2.1=3, 5895/2.1=3...(9) H VAL 115 - QD1 LEU 84 OK 14 66 - 21 - 4.6/5069=3, 4.6/5076=3...(8) H SER 74 - QD2 LEU 54 OK 12 63 - 19 - 4.2/7439=5, 4.7/1133=3...(6) H ILE 80 - QD1 LEU 91 poor 7 52 - 13 - 4.0/7402=2, 7406/3.1=2, ~7421=1 H SER 74 - QD1 LEU 84 lone 2 44 - 4 - H SER 74 - QD1 LEU 91 lone 1 36 - 3 - Peak 5898 from cnoeabs.peaks (8.02, 3.62, 65.99 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * H THR 116 + HA VAL 115 OK 100 100 - 100 - 3.6=100 H SER 112 + HA VAL 115 OK 73 92 - 80 - 7925/3.0=14, 566=14...(23) H THR 19 - HA VAL 115 OK 36 100 - 36 - 5901/3.2=6, 5899/3.0=5...(12) H THR 17 - HA VAL 115 OK 25 73 - 34 - 4.0/8460=7, 5901/3.2=6...(8) Peak 5899 from cnoeabs.peaks (8.02, 2.14, 31.33 ppm; 3.67 A): 4 out of 4 assignments used, quality = 0.94: * H THR 116 + HB VAL 115 OK 76 100 - 76 - 4.4=56, 5900/2.1=14...(10) H SER 112 + HB VAL 115 OK 59 92 - 64 - 3.0/6227=21, 5901/2.1=10...(12) H THR 19 + HB VAL 115 OK 27 100 - 27 - 5901/2.1=6, 5900/2.1=4...(9) H THR 17 + HB VAL 115 OK 20 73 - 28 - 5901/2.1=6, 589=5...(9) Peak 5900 from cnoeabs.peaks (8.02, 0.83, 20.91 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.97: * H THR 116 + QG1 VAL 115 OK 91 100 - 91 - 4.3=77, 5899/2.1=16...(12) H SER 112 + QG1 VAL 115 OK 63 92 - 69 - ~6227=13, 5899/2.1=12...(13) H THR 19 - QG1 VAL 115 OK 29 100 - 29 - 5901/2.1=7, 5899/2.1=6...(8) H THR 17 - QG1 VAL 115 OK 23 73 - 31 - 5901/2.1=6, ~7975=5...(8) Peak 5901 from cnoeabs.peaks (8.02, 0.92, 22.11 ppm; 3.58 A): 3 out of 4 assignments used, quality = 0.96: * H THR 116 + QG2 VAL 115 OK 82 100 - 82 - 4.3=57, 5899/2.1=14...(13) H SER 112 + QG2 VAL 115 OK 63 92 - 69 - 3.0/7974=11, ~6227=11...(16) H THR 19 + QG2 VAL 115 OK 37 100 - 37 - 4.3/7978=6, 5899/2.1=5...(13) H THR 17 - QG2 VAL 115 OK 34 73 - 47 - 4.8/8603=14, 4.0/7976=8...(11) Peak 5902 from cnoeabs.peaks (8.66, 3.83, 66.80 ppm; 4.44 A): 2 out of 10 assignments used, quality = 1.00: * H LEU 117 + HA THR 116 OK 100 100 - 100 - 3.6=100 H VAL 120 + HA THR 116 OK 64 97 - 66 - 5904/3.2=13, 1796=12...(15) H LEU 117 - HA THR 19 OK 31 94 - 33 - 592/3.0=7, 593=6...(8) H LEU 59 - HA THR 116 OK 27 99 - 27 - 5904/3.2=4, 1519/3.0=4...(11) H VAL 120 - HA THR 19 OK 21 89 - 24 - 610=4, 4.6/6250=3...(8) H LEU 59 - HA THR 19 OK 16 92 - 17 - 4.9/6372=3, 272/3.0=3...(6) H ASN 12 - HA THR 116 OK 15 98 - 15 - 5903/3.0=3, 1519/3.0=3...(4) H ASN 106 - HA THR 116 lone 5 65 - 8 - 5903/3.0=2, 3.6/5120=1 H ASN 12 - HA THR 19 lone 4 90 - 4 - H ASN 106 - HA THR 19 lone 1 56 - 2 - Peak 5903 from cnoeabs.peaks (8.66, 4.37, 67.81 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.95: * H LEU 117 + HB THR 116 OK 92 100 - 92 - 4.2=86, 5904/2.1=17...(7) H VAL 120 + HB THR 116 OK 39 97 - 40 - 5904/2.1=14, 1796/3.0=8...(8) H ASN 12 - HB THR 116 OK 16 98 - 16 - 10=4, 5904/2.1=3...(8) H LEU 59 - HB THR 116 OK 14 99 - 14 - 5904/2.1=4, 1519/3.8=3 H ASN 106 - HB THR 116 poor 8 65 - 13 - 524=2, 4.6/7809=2...(5) Peak 5904 from cnoeabs.peaks (8.66, 1.27, 22.69 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.93: * H LEU 117 + QG2 THR 116 OK 82 100 - 82 - 4.3=59, 594/2.1=18...(10) H VAL 120 + QG2 THR 116 OK 64 97 - 65 - 4.0/7986=14, 4.0/7987=13...(14) H LEU 59 - QG2 THR 116 OK 21 99 - 21 - 5903/2.1=2, 1519/4.1=2...(8) H ASN 12 - QG2 THR 116 OK 12 98 - 12 - 10/2.1=3, 1519/4.1=1...(5) H ASN 106 - QG2 THR 116 lone 6 65 - 10 - 4.8/7991=2, 4.8/7991=2...(4) Peak 5905 from cnoeabs.peaks (7.74, 3.99, 57.98 ppm; 4.57 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 118 + HA LEU 117 OK 100 100 - 100 - 3.6=100 H LEU 58 - HA LEU 117 OK 43 93 - 46 - 1467/3.0=10, 5906/3.0=6...(13) H LEU 91 - HA LEU 117 OK 36 97 - 37 - 5910/3.8=6, 1520/3.0=6...(10) H SER 90 - HA LEU 117 OK 24 93 - 26 - 7567/3.8=4, 1520/3.0=4...(10) H LEU 126 - HA LEU 117 OK 17 96 - 17 - 5906/3.0=3, 5907/3.0=3...(6) HE21 GLN 103 - HA LEU 117 lone 4 65 - 6 - Peak 5906 from cnoeabs.peaks (7.74, 1.77, 41.55 ppm; 4.79 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 118 + HB2 LEU 117 OK 100 100 - 100 - 4.2=100 H LEU 58 - HB2 LEU 117 OK 42 93 - 45 - 1467/4.0=9, 5907/1.8=7...(13) H LEU 91 - HB2 LEU 117 OK 35 97 - 36 - 5910/3.1=7, 5907/1.8=7...(8) H SER 90 - HB2 LEU 117 OK 22 93 - 23 - 7567/3.1=5, 5907/1.8=4...(6) H LEU 126 - HB2 LEU 117 OK 21 96 - 21 - 5907/1.8=4, 5910/3.1=3...(7) HE21 GLN 103 - HB2 LEU 117 poor 7 65 - 11 - ~7999=2, 5907/1.8=1, 5910/3.1=1 Peak 5907 from cnoeabs.peaks (7.74, 2.23, 41.55 ppm; 4.75 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 118 + HB3 LEU 117 OK 100 100 - 100 - 4.2=100 H LEU 58 - HB3 LEU 117 OK 40 93 - 43 - 1467/4.0=9, 5906/1.8=7...(10) H LEU 91 - HB3 LEU 117 OK 37 97 - 39 - 5910/3.1=7, 5906/1.8=6...(11) H SER 90 - HB3 LEU 117 OK 22 93 - 24 - 7567/3.1=5, 5906/1.8=4...(6) H LEU 126 - HB3 LEU 117 OK 20 96 - 20 - 5906/1.8=4, 5910/3.1=3...(6) HE21 GLN 103 - HB3 LEU 117 poor 7 65 - 10 - ~7999=2, 5906/1.8=1, 5910/3.1=1 Peak 5908 from cnoeabs.peaks (7.74, 1.76, 27.10 ppm; 5.26 A): 3 out of 12 assignments used, quality = 0.94: * H ASN 118 + HG LEU 117 OK 82 100 - 82 - 599/3.0=23, 598/3.0=19...(15) H LEU 58 + HG LEU 117 OK 46 93 - 50 - 1467/4.8=9, 5910/2.1=8...(13) H LEU 91 + HG LEU 117 OK 42 97 - 43 - 5910/2.1=10, 5907/3.0=6...(12) H SER 90 - HG LEU 117 OK 26 93 - 28 - 7567/2.1=7, 5905/3.6=4...(7) H LEU 126 - HG LEU 117 OK 23 96 - 23 - 5910/2.1=4, 1424/2.1=4...(7) H LEU 91 - HG3 PRO 30 OK 21 64 - 33 - ~2346=5, 1216/3.8=5...(11) H ASN 118 - HG3 PRO 30 OK 12 69 - 17 - 3.6/5152=3, 4.2/5148=3...(5) H LEU 58 - HG3 PRO 30 poor 9 60 - 15 - 7069/2.3=3, 4.8/7061=2...(5) HE21 GLN 103 - HG LEU 117 poor 8 65 - 13 - ~7999=3, 5910/2.1=2...(4) H SER 90 - HG3 PRO 30 lone 5 60 - 9 - 1719/2.3=2, 4.6/1217=1 H LEU 126 - HG3 PRO 30 lone 5 62 - 7 - HE21 GLN 103 - HG3 PRO 30 lone 1 38 - 3 - Peak 5909 from cnoeabs.peaks (7.74, 0.91, 23.92 ppm; 4.39 A): 5 out of 30 assignments used, quality = 0.92: * H ASN 118 + QD1 LEU 117 OK 72 100 - 72 - 599/3.1=18, 598/3.1=15...(12) H LEU 58 + QD1 LEU 117 OK 34 93 - 36 - 1467/4.6=7, 5910/2.1=6...(8) H LEU 91 + QD1 LEU 117 OK 30 97 - 30 - 5910/2.1=7, 5907/3.1=5...(7) H ASN 118 + QD2 LEU 59 OK 23 65 - 35 - 271/4.6=7, 1377/2.1=4...(12) H LEU 126 + QD1 LEU 117 OK 21 96 - 21 - 1424=4, 5910/2.1=3...(8) H LEU 126 - QG2 VAL 49 OK 20 72 - 27 - 1425/2.1=5, 1424=4...(11) H SER 90 - QD1 LEU 117 OK 19 93 - 20 - 7567/2.1=5, 5907/3.1=3...(6) H ASN 118 - QD1 LEU 55 OK 16 61 - 26 - 8639/4.0=5, 7020/2.1=4...(8) H ASN 118 - QG2 VAL 49 OK 14 80 - 18 - 601=3, 4.2/5142=3...(6) H LEU 58 - QD1 LEU 55 OK 14 52 - 27 - 8639/4.0=9, 7052/2.1=6...(7) H ASN 118 - QD1 LEU 27 OK 14 62 - 22 - 601=3, 601/2.1=3...(8) H LEU 58 - QD2 LEU 59 OK 12 56 - 22 - 1467/4.6=11, 7052/2.1=4...(5) H LEU 126 - QD2 LEU 59 OK 12 58 - 21 - 1424=3, 271/4.6=3...(10) H LEU 126 - QD1 LEU 55 OK 12 54 - 22 - 8128/3.1=5, 7020/2.1=4...(8) H LEU 58 - QD1 LEU 27 poor 9 53 - 17 - 1051/3.1=3, 4.8/6366=3...(7) H SER 90 - QD1 LEU 55 poor 8 52 - 15 - 7020/2.1=4, 7570/3.1=3...(4) H LEU 91 - QD1 LEU 55 poor 7 56 - 12 - 7020/2.1=3, 8639/4.0=2 H SER 90 - QD2 LEU 59 poor 6 56 - 11 - 271/4.6=3, 7568/2.1=3...(4) H LEU 91 - QD2 LEU 59 lone 6 60 - 9 - 1220/2.1=2, 271/4.6=2 HE21 GLN 103 - QD1 LEU 117 lone 6 65 - 8 - ~7999=2, 5910/2.1=1 H LEU 58 - QG2 VAL 49 lone 4 69 - 6 - 7052/2.1=1 H LEU 126 - QD1 LEU 27 lone 4 55 - 8 - 1424/2.1=1, 1424=1 H LEU 91 - QD1 LEU 27 lone 4 57 - 6 - H LEU 91 - QG2 VAL 49 lone 3 74 - 4 - H SER 90 - QG2 VAL 49 lone 2 69 - 4 - H SER 90 - QD1 LEU 27 lone 2 53 - 4 - HE21 GLN 103 - QD1 LEU 55 lone 1 33 - 4 - 8639/4.0=1 HE21 GLN 103 - QD2 LEU 59 lone 1 35 - 2 - HE21 GLN 103 - QD1 LEU 27 lone 1 33 - 2 - HE21 GLN 103 - QG2 VAL 49 lone 1 45 - 2 - Peak 5910 from cnoeabs.peaks (7.74, 1.13, 26.08 ppm; 4.64 A): 3 out of 6 assignments used, quality = 0.95: * H ASN 118 + QD2 LEU 117 OK 82 100 - 82 - 599/3.1=19, 602=18...(18) H LEU 91 + QD2 LEU 117 OK 50 97 - 52 - 4.5/8369=9, 4.5/8372=6...(16) H LEU 58 + QD2 LEU 117 OK 42 93 - 45 - 1467/4.6=7, 5906/3.1=6...(14) H SER 90 - QD2 LEU 117 OK 27 93 - 29 - 7567=5, 5907/3.1=3...(9) H LEU 126 - QD2 LEU 117 OK 20 96 - 21 - 1424/2.1=3, 5906/3.1=3...(7) HE21 GLN 103 - QD2 LEU 117 poor 8 65 - 11 - 1.7/7999=4 Peak 5911 from cnoeabs.peaks (7.60, 3.55, 56.04 ppm; 4.40 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 119 + HA ASN 118 OK 100 100 - 100 - 3.6=100 H ARG 57 - HA ASN 118 OK 34 100 - 34 - 1466/3.0=9, 5913/3.0=5...(10) H SER 113 - HA ASN 118 OK 16 87 - 18 - 1521/3.0=5, 5912/3.0=4...(5) H CYS 52 - HA ASN 118 OK 16 71 - 22 - 225=4, 4.6/3075=3...(7) H GLU 56 - HA ASN 118 OK 14 71 - 19 - 4.6/1631=4, 1521/3.0=4...(6) HD21 ASN 12 - HA ASN 118 lone 6 83 - 7 - 5913/3.0=1 Peak 5912 from cnoeabs.peaks (7.60, 0.82, 37.24 ppm; 4.34 A): 3 out of 6 assignments used, quality = 0.95: * H LYS 119 + HB2 ASN 118 OK 91 100 - 91 - 4.6=83, 5913/1.8=25...(8) H ARG 57 + HB2 ASN 118 OK 26 100 - 26 - 1466/4.0=7, 5913/1.8=6...(4) H SER 113 + HB2 ASN 118 OK 22 87 - 25 - 5913/1.8=4, 1521/4.0=4...(10) H GLU 56 - HB2 ASN 118 poor 10 71 - 14 - 1521/4.0=3, 5913/1.8=2 H CYS 52 - HB2 ASN 118 poor 9 71 - 13 - 3.6/5179=4, 225/3.0=3...(4) HD21 ASN 12 - HB2 ASN 118 lone 5 83 - 6 - 5913/1.8=1, ~8175=1 Peak 5913 from cnoeabs.peaks (7.60, 2.35, 37.24 ppm; 4.13 A): 3 out of 6 assignments used, quality = 0.87: * H LYS 119 + HB3 ASN 118 OK 82 100 - 82 - 4.6=71, 5912/1.8=20...(4) H ARG 57 + HB3 ASN 118 OK 22 100 - 22 - 1466/4.0=7, 5912/1.8=6...(4) H SER 113 + HB3 ASN 118 OK 13 87 - 15 - 5912/1.8=5, 1521/4.0=3...(5) H CYS 52 - HB3 ASN 118 poor 8 71 - 12 - 3.6/5185=4, 225/3.0=2...(4) H GLU 56 - HB3 ASN 118 poor 8 71 - 11 - 1521/4.0=3, 5912/1.8=2...(4) HD21 ASN 12 - HB3 ASN 118 lone 4 83 - 5 - 3.5/8175=1, 5912/1.8=1 Peak 5914 from cnoeabs.peaks (8.65, 3.83, 59.51 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 120 + HA LYS 119 OK 100 100 - 100 - 3.6=100 H LEU 117 + HA LYS 119 OK 55 97 - 57 - 1522/3.0=10, 593=10...(19) H LEU 59 - HA LYS 119 OK 41 90 - 45 - 1789/3.0=9, 5915/3.0=8...(18) H ASN 12 - HA LYS 119 OK 13 85 - 15 - 1789/3.0=3, 5915/3.0=2...(6) H ASN 106 - HA LYS 119 lone 7 89 - 8 - 5915/3.0=1, 1522/3.0=1 Peak 5915 from cnoeabs.peaks (8.65, 1.88, 32.09 ppm; 3.68 A): 4 out of 5 assignments used, quality = 0.94: * H VAL 120 + HB2 LYS 119 OK 77 100 - 77 - 4.7=50, 612/1.8=14...(15) H LEU 59 + HB2 LYS 119 OK 44 90 - 48 - 273=8, 5916/1.8=6...(21) H LEU 117 + HB2 LYS 119 OK 43 97 - 45 - 1522/4.0=7, 5916/1.8=7...(14) H ASN 12 + HB2 LYS 119 OK 13 85 - 15 - 5916/1.8=2, 1789/4.0=2...(9) H ASN 106 - HB2 LYS 119 lone 7 89 - 8 - 5916/1.8=1, 3.9/7787=1 Peak 5916 from cnoeabs.peaks (8.65, 1.94, 32.09 ppm; 3.75 A): 6 out of 10 assignments used, quality = 0.95: * H VAL 120 + HB3 LYS 119 OK 77 100 - 77 - 4.7=53, 5915/1.8=16...(14) H LEU 117 + HB3 LYS 119 OK 41 97 - 42 - 5915/1.8=9, 1522/4.0=7...(13) H LEU 59 + HB3 LYS 119 OK 40 90 - 44 - 5915/1.8=9, 275=7...(18) H VAL 120 + HB3 PRO 30 OK 18 88 - 21 - 612=5, 3.6/5193=3...(7) H ASN 12 + HB3 LYS 119 OK 14 85 - 16 - 5915/1.8=3, 1789/4.0=2...(8) H LEU 117 + HB3 PRO 30 OK 11 83 - 13 - 4.6/8035=2, 1372/2.3=2 H LEU 59 - HB3 PRO 30 poor 9 75 - 12 - 275=2, 7071/5.0=2 H ASN 106 - HB3 LYS 119 lone 6 89 - 7 - 5915/1.8=2 H ASN 12 - HB3 PRO 30 lone 3 69 - 5 - 6283/1.8=2 H ASN 106 - HB3 PRO 30 lone 1 73 - 1 - Peak 5917 from cnoeabs.peaks (8.65, 1.46, 24.55 ppm; 5.03 A): 4 out of 10 assignments used, quality = 0.98: * H VAL 120 + HG2 LYS 119 OK 78 100 - 79 - 5915/2.9=19, 612/2.9=16...(16) H LEU 117 + HG2 LYS 119 OK 57 97 - 59 - 5915/2.9=10, 1522/4.9=9...(14) H VAL 120 + HG3 LYS 31 OK 51 92 - 56 - 613=7, ~2426=7...(18) H LEU 59 + HG2 LYS 119 OK 51 90 - 57 - 5915/2.9=10, 1789/4.9=8...(16) H LEU 59 - HG3 LYS 31 OK 30 78 - 39 - 1055/1.8=5, 273/2.9=5...(14) H ASN 12 - HG2 LYS 119 OK 22 85 - 26 - 5915/2.9=3, 5916/2.9=3...(12) H LEU 117 - HG3 LYS 31 OK 11 87 - 13 - 4.3/7992=1 H ASN 106 - HG2 LYS 119 OK 10 89 - 11 - 5915/2.9=2, 5916/2.9=1...(4) H ASN 12 - HG3 LYS 31 poor 8 73 - 11 - 793/3.8=2, 793/3.8=2, 4.7/2435=1 H ASN 106 - HG3 LYS 31 lone 2 76 - 2 - Peak 5918 from cnoeabs.peaks (8.65, 1.32, 24.55 ppm; 4.76 A): 4 out of 15 assignments used, quality = 0.95: * H VAL 120 + HG3 LYS 119 OK 73 100 - 73 - 5915/2.9=18, 614=17...(13) H LEU 117 + HG3 LYS 119 OK 50 97 - 52 - 5915/2.9=10, 1522/4.9=8...(11) H LEU 59 + HG3 LYS 119 OK 47 90 - 52 - 5915/2.9=10, 1789/4.9=7...(16) H VAL 120 + HG2 LYS 46 OK 32 90 - 36 - 614=7, 3.6/5195=7...(7) H VAL 120 - HG3 LYS 46 OK 32 90 - 36 - 614=7, 3.6/5195=7...(7) H ASN 12 - HG3 LYS 119 OK 19 85 - 22 - 5915/2.9=3, 5916/2.9=3...(10) H LEU 59 - HG2 LYS 46 OK 16 77 - 21 - 1055/1.8=3, ~3392=2...(9) H LEU 59 - HG3 LYS 46 OK 16 77 - 21 - 1055/1.8=3, ~3392=2...(9) H LEU 117 - HG2 LYS 46 OK 13 85 - 16 - 1778/3.9=2, 1372/2.9=1...(5) H LEU 117 - HG3 LYS 46 OK 13 85 - 16 - 1778/3.9=2, 1372/2.9=1...(5) H ASN 106 - HG3 LYS 119 lone 9 89 - 10 - 5915/2.9=2, 5916/2.9=1...(4) H ASN 12 - HG3 LYS 46 lone 6 71 - 8 - 11/2.9=3, 4.2/2934=2 H ASN 12 - HG2 LYS 46 lone 6 71 - 8 - 11/2.9=3, 4.2/2934=2 H ASN 106 - HG2 LYS 46 lone 1 75 - 2 - H ASN 106 - HG3 LYS 46 lone 1 75 - 2 - Peak 5920 from cnoeabs.peaks (8.65, 1.60, 28.93 ppm; 4.56 A): 5 out of 20 assignments used, quality = 0.97: H VAL 120 + HD2 LYS 119 OK 60 100 - 60 - 5915/3.7=14, 612/3.7=13...(12) * H VAL 120 + HD3 LYS 119 OK 60 100 - 60 - 5915/3.7=14, 612/3.7=13...(12) H LEU 117 + HD2 LYS 119 OK 45 97 - 46 - 5915/3.7=8, 4.3/7993=7...(10) H LEU 117 + HD3 LYS 119 OK 45 97 - 46 - 5915/3.7=8, 4.3/7993=6...(10) H LEU 59 + HD3 LYS 119 OK 41 90 - 46 - 5915/3.7=8, 5916/3.7=6...(14) H LEU 59 - HD2 LYS 119 OK 41 90 - 46 - 5915/3.7=8, 5916/3.7=6...(15) H ASN 12 - HD3 LYS 119 OK 16 85 - 19 - 794/3.0=3, 794/3.0=2...(9) H ASN 12 - HD2 LYS 119 OK 16 85 - 19 - 794/3.0=3, 794/3.0=2...(9) H LEU 117 - HD3 LYS 32 OK 15 90 - 17 - 1781/5.0=3, 595/2.9=3...(6) H LEU 117 - HD2 LYS 32 OK 15 90 - 17 - 1781/5.0=3, 595/2.9=3...(6) H VAL 120 - HD3 LYS 32 OK 10 95 - 11 - 8440/2.9=2, 3.6/5197=2...(4) H VAL 120 - HD2 LYS 32 OK 10 95 - 11 - 8440/2.9=2, 3.6/5197=2...(4) H ASN 106 - HD3 LYS 119 lone 8 89 - 8 - 5915/3.7=1, 5916/3.7=1 H ASN 106 - HD2 LYS 119 lone 8 89 - 8 - 5915/3.7=1, 5916/3.7=1 H LEU 59 - HD3 LYS 32 lone 5 81 - 6 - H LEU 59 - HD2 LYS 32 lone 5 81 - 6 - H ASN 106 - HD2 LYS 32 lone 3 80 - 3 - H ASN 106 - HD3 LYS 32 lone 3 80 - 3 - H ASN 12 - HD2 LYS 32 lone 1 76 - 2 - H ASN 12 - HD3 LYS 32 lone 1 76 - 2 - Peak 5921 from cnoeabs.peaks (8.65, 2.86, 41.91 ppm; 4.85 A): 5 out of 10 assignments used, quality = 0.96: * H VAL 120 + HE2 LYS 119 OK 56 100 - 56 - 5915/4.9=12, 612/4.9=11...(10) H VAL 120 + HE3 LYS 119 OK 56 100 - 56 - 5915/4.9=12, 612/4.9=11...(10) H LEU 117 + HE2 LYS 119 OK 44 97 - 46 - 4.3/8170=10, 5915/4.9=7...(11) H LEU 117 + HE3 LYS 119 OK 44 97 - 46 - 4.3/8170=10, 5915/4.9=7...(11) H LEU 59 + HE2 LYS 119 OK 35 90 - 39 - 5915/4.9=7, 5916/4.9=5...(11) H LEU 59 - HE3 LYS 119 OK 35 90 - 39 - 5915/4.9=7, 5916/4.9=5...(11) H ASN 12 - HE2 LYS 119 OK 22 85 - 26 - 794/1.8=3, 794=3...(14) H ASN 12 - HE3 LYS 119 OK 22 85 - 26 - 794/1.8=3, 794=3...(14) H ASN 106 - HE2 LYS 119 lone 8 89 - 9 - 5915/4.9=1 H ASN 106 - HE3 LYS 119 lone 8 89 - 9 - 5915/4.9=1 Peak 5923 from cnoeabs.peaks (7.69, 4.08, 64.53 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * H THR 121 + HA VAL 120 OK 100 100 - 100 - 3.6=100 H LEU 111 - HA VAL 120 OK 37 97 - 38 - 1523/3.0=11, 5926/3.2=9...(7) HE21 GLN 103 - HA VAL 120 lone 8 83 - 9 - 1523/3.0=2, 5926/3.2=1...(5) Peak 5924 from cnoeabs.peaks (7.69, 2.30, 31.75 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.97: * H THR 121 + HB VAL 120 OK 95 100 - 95 - 4.4=86, 5926/2.1=28...(10) H LEU 111 + HB VAL 120 OK 43 97 - 44 - 5926/2.1=12, 5925/2.1=11...(9) H THR 121 - HB3 PRO 60 OK 15 61 - 25 - 1800/3.0=7, 621=6...(6) HE21 GLN 103 - HB VAL 120 lone 7 83 - 8 - 5926/2.1=2, 5925/2.1=2...(4) H LEU 111 - HB3 PRO 60 lone 3 56 - 5 - HE21 GLN 103 - HB3 PRO 60 lone 1 44 - 2 - Peak 5925 from cnoeabs.peaks (7.69, 1.03, 21.06 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H THR 121 + QG1 VAL 120 OK 100 100 - 100 - 3.9=100 H LEU 111 - QG1 VAL 120 OK 43 97 - 45 - 5926/2.1=11, 5924/2.1=8...(12) HE21 GLN 103 - QG1 VAL 120 lone 7 83 - 8 - 5926/2.1=2, 5923/3.2=1...(4) Peak 5926 from cnoeabs.peaks (7.69, 1.12, 21.17 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.97: * H THR 121 + QG2 VAL 120 OK 97 100 - 97 - 3.9=89, 3.6/5296=19...(16) H LEU 111 - QG2 VAL 120 OK 41 97 - 42 - 5925/2.1=9, 5924/2.1=7...(12) HE21 GLN 103 - QG2 VAL 120 lone 6 83 - 7 - 5925/2.1=1, 5923/3.2=1...(4) Peak 5927 from cnoeabs.peaks (7.65, 4.41, 62.70 ppm; 3.68 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 122 + HA THR 121 OK 100 100 - 100 - 3.6=100 HD21 ASN 108 - HA THR 121 OK 10 100 - 10 - 1524/3.0=3, 5929/3.2=3 H GLU 56 - HA THR 121 lone 4 57 - 6 - 1524/3.0=3, 5929/3.2=2 H ALA 122 - HA SER 113 lone 3 45 - 7 - 625=2, 4.6/1807=1 H GLU 56 - HA SER 113 lone 1 20 - 4 - HD21 ASN 108 - HA SER 113 lone 1 45 - 1 - Peak 5928 from cnoeabs.peaks (7.65, 4.56, 69.65 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.94: * H ALA 122 + HB THR 121 OK 94 100 - 94 - 4.4=85, 5929/2.1=34...(5) HD21 ASN 108 + HB THR 121 OK 11 100 - 11 - 5929/2.1=4, 1524/4.0=3 H GLU 56 - HB THR 121 lone 4 57 - 8 - 1524/4.0=3, 5929/2.1=2 Peak 5929 from cnoeabs.peaks (7.65, 1.38, 22.16 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.91: * H ALA 122 + QG2 THR 121 OK 90 100 - 90 - 4.2=74, 5928/2.1=25...(8) HD21 ASN 108 + QG2 THR 121 OK 11 100 - 10 - 5928/2.1=3, 1524/4.0=3...(4) H GLU 56 - QG2 THR 121 poor 7 57 - 12 - 1524/4.0=2, 3.6/7011=1...(4) Peak 5930 from cnoeabs.peaks (8.16, 4.27, 53.98 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.97: * H ASP 123 + HA ALA 122 OK 97 100 - 97 - 3.6=94, 5931/2.1=33...(4) H ASP 123 - HA ALA 89 lone 1 34 - 3 - Peak 5931 from cnoeabs.peaks (8.16, 1.41, 18.59 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.91: * H ASP 123 + QB ALA 122 OK 91 100 - 91 - 3.6=81, 5930/2.1=30...(6) H ASP 123 - QB ALA 98 lone 3 58 - 5 - 630=2 H ASP 123 - QB ALA 89 lone 2 63 - 4 - 630=1 Peak 5932 from cnoeabs.peaks (7.78, 4.63, 54.44 ppm; 3.27 A): 1 out of 4 assignments used, quality = 0.90: * H ILE 124 + HA ASP 123 OK 90 100 - 90 - 3.6=77, 633/3.0=27...(7) H LEU 45 - HA ASP 123 lone 8 100 - 8 - 1526/3.0=2, 5933/3.0=2 H GLY 48 - HA ASP 123 lone 4 95 - 4 - 1526/3.0=1, 5933/3.0=1 HD21 ASN 106 - HA ASP 123 lone 3 63 - 4 - Peak 5933 from cnoeabs.peaks (7.78, 2.75, 40.70 ppm; 4.06 A): 1 out of 4 assignments used, quality = 0.98: * H ILE 124 + HB2 ASP 123 OK 98 100 - 98 - 4.2=93, 634/3.0=35...(5) H LEU 45 - HB2 ASP 123 OK 15 100 - 15 - 5934/1.8=5, 3.6/6278=4...(5) H GLY 48 - HB2 ASP 123 lone 6 95 - 7 - 5934/1.8=2, 1526/4.0=2 HD21 ASN 106 - HB2 ASP 123 lone 3 63 - 5 - Peak 5934 from cnoeabs.peaks (7.78, 2.66, 40.70 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 124 + HB3 ASP 123 OK 100 100 - 100 - 4.2=100 H LEU 45 - HB3 ASP 123 OK 16 100 - 16 - 5933/1.8=5, 3.6/6280=4...(4) H GLY 48 - HB3 ASP 123 lone 7 95 - 7 - 5933/1.8=2, 1526/4.0=2 HD21 ASN 106 - HB3 ASP 123 lone 3 63 - 5 - 4.3/5331=1, 5933/1.8=1 Peak 5935 from cnoeabs.peaks (8.32, 4.14, 62.07 ppm; 3.03 A): 4 out of 10 assignments used, quality = 0.86: * H GLY 125 + HA ILE 124 OK 77 100 - 77 - 3.6=61, 637/3.0=14...(10) H THR 62 + HA ILE 124 OK 17 100 - 17 - 5937/3.2=3, 1527/3.0=3...(9) H SER 74 + HA ILE 124 OK 15 78 - 19 - 638=4, 1527/3.0=3...(7) H CYS 87 + HA ILE 124 OK 11 85 - 13 - 5937/3.2=2, 1527/3.0=2...(7) H ILE 22 - HA ILE 124 lone 5 78 - 6 - 1527/3.0=1 H SER 74 - HA SER 78 lone 3 42 - 7 - ~6091=3, ~1658=3 H GLY 125 - HA SER 78 lone 3 62 - 4 - H CYS 87 - HA SER 78 lone 1 46 - 3 - H ILE 22 - HA SER 78 lone 1 42 - 2 - H THR 62 - HA SER 78 lone 1 62 - 1 - Peak 5936 from cnoeabs.peaks (8.32, 1.98, 38.44 ppm; 4.12 A): 2 out of 5 assignments used, quality = 0.95: * H GLY 125 + HB ILE 124 OK 93 100 - 93 - 4.5=76, 5935/3.0=23...(10) H THR 62 + HB ILE 124 OK 27 100 - 27 - 5937/2.1=7, 5935/3.0=5...(7) H SER 74 - HB ILE 124 OK 25 78 - 32 - 5937/2.1=5, 639=5...(9) H CYS 87 - HB ILE 124 OK 19 85 - 22 - 5937/2.1=6, 5935/3.0=3...(7) H ILE 22 - HB ILE 124 poor 9 78 - 11 - 5937/2.1=2, 5940/3.2=2...(6) Peak 5937 from cnoeabs.peaks (8.32, 0.96, 17.23 ppm; 3.75 A): 4 out of 5 assignments used, quality = 0.94: * H GLY 125 + QG2 ILE 124 OK 86 100 - 86 - 4.4=64, 5935/3.2=19...(9) H THR 62 + QG2 ILE 124 OK 28 100 - 28 - 5936/2.1=5, 7095=4...(10) H CYS 87 + QG2 ILE 124 OK 24 85 - 28 - 5936/2.1=3, 7527=3...(11) H SER 74 + QG2 ILE 124 OK 22 78 - 28 - 640=6, 5936/2.1=4...(9) H ILE 22 - QG2 ILE 124 poor 8 78 - 10 - 5936/2.1=2, 5940/3.2=2...(6) Peak 5938 from cnoeabs.peaks (8.32, 1.55, 27.37 ppm; 4.67 A): 5 out of 10 assignments used, quality = 0.93: * H GLY 125 + HG12 ILE 124 OK 79 100 - 79 - 5935/4.0=22, 5936/3.0=20...(9) H THR 62 + HG12 ILE 124 OK 31 100 - 31 - 5939/1.8=7, 5937/3.2=6...(7) H SER 74 + HG12 ILE 124 OK 29 78 - 38 - 5939/1.8=6, 641=6...(9) H CYS 87 + HG12 ILE 124 OK 22 85 - 25 - 5937/3.2=5, 5939/1.8=5...(7) H ILE 22 + HG12 ILE 124 OK 10 78 - 13 - 5940/2.1=3, 5939/1.8=3...(6) H GLY 125 - HG2 ARG 57 lone 4 55 - 8 - 641=1 H THR 62 - HG2 ARG 57 lone 3 55 - 6 - 7098/3.0=2, 7097/3.0=2 H ILE 22 - HG2 ARG 57 lone 2 37 - 6 - 5.0/8502=2, 69/3.0=2 H CYS 87 - HG2 ARG 57 lone 2 41 - 5 - ~6076=1 H SER 74 - HG2 ARG 57 lone 2 37 - 5 - ~7302=1 Peak 5939 from cnoeabs.peaks (8.32, 1.24, 27.37 ppm; 4.93 A): 5 out of 5 assignments used, quality = 0.94: * H GLY 125 + HG13 ILE 124 OK 81 100 - 81 - 5935/4.0=23, 5936/3.0=21...(9) H THR 62 + HG13 ILE 124 OK 33 100 - 33 - 5938/1.8=7, 5940/2.1=7...(7) H SER 74 + HG13 ILE 124 OK 33 78 - 42 - 2.9/8510=7, 5938/1.8=7...(9) H CYS 87 + HG13 ILE 124 OK 24 85 - 28 - 5937/3.2=6, 5938/1.8=5...(7) H ILE 22 + HG13 ILE 124 OK 13 78 - 16 - 5940/2.1=3, 5938/1.8=2...(7) Peak 5940 from cnoeabs.peaks (8.32, 0.89, 13.31 ppm; 4.94 A): 5 out of 5 assignments used, quality = 0.94: * H GLY 125 + QD1 ILE 124 OK 81 100 - 81 - 5935/4.2=23, 5937/3.2=21...(10) H THR 62 + QD1 ILE 124 OK 33 100 - 33 - 5939/2.1=7, 5938/2.1=7...(7) H SER 74 + QD1 ILE 124 OK 31 78 - 39 - 5939/2.1=7, 5938/2.1=6...(9) H CYS 87 + QD1 ILE 124 OK 23 85 - 27 - 5937/3.2=6, 5939/2.1=5...(7) H ILE 22 + QD1 ILE 124 OK 15 78 - 19 - 4.6/8121=3, 5939/2.1=3...(7) Peak 5941 from cnoeabs.peaks (7.72, 3.95, 45.33 ppm; 3.47 A): 2 out of 21 assignments used, quality = 1.00: H LEU 126 + HA3 GLY 125 OK 95 100 - 95 - 3.6=92, 644/3.0=22, 646/1.8=20 * H LEU 126 + HA2 GLY 125 OK 95 100 - 95 - 3.6=92, 644/3.0=22, 646/1.8=20 H SER 90 - HA2 GLY 125 lone 2 100 - 2 - 1528/3.0=1 H SER 90 - HA3 GLY 125 lone 2 100 - 2 - 1528/3.0=1 H LEU 58 - HA2 GLY 125 lone 1 100 - 1 - H LEU 58 - HA3 GLY 125 lone 1 100 - 1 - H LEU 58 - HA2 GLY 25 lone 1 50 - 3 - 264/1.8=2 H ASN 118 - HA2 GLY 125 lone 1 96 - 1 - H ASN 118 - HA3 GLY 125 lone 1 96 - 1 - H LEU 111 - HA2 GLY 125 lone 1 71 - 1 - H LEU 111 - HA3 GLY 125 lone 1 71 - 1 - HE21 GLN 103 - HA3 GLY 125 lone 1 92 - 1 - HE21 GLN 103 - HA2 GLY 125 lone 1 92 - 1 - H LEU 126 - HA2 GLY 25 lone 1 50 - 2 - H LEU 91 - HA3 GLY 125 lone 1 78 - 1 - H LEU 91 - HA2 GLY 125 lone 1 78 - 1 - HE21 GLN 103 - HA2 GLY 25 lone 1 42 - 1 - H SER 90 - HA2 GLY 25 lone 0 50 - 1 - H ASN 118 - HA2 GLY 25 lone 0 45 - 1 - H LEU 111 - HA2 GLY 25 lone 0 29 - 1 - H LEU 91 - HA2 GLY 25 lone 0 33 - 1 - Peak 5942 from cnoeabs.peaks (7.72, 3.95, 45.33 ppm; 3.47 A): 2 out of 21 assignments used, quality = 1.00: * H LEU 126 + HA3 GLY 125 OK 95 100 - 95 - 3.6=92, 644/3.0=22, 646/1.8=20 H LEU 126 + HA2 GLY 125 OK 95 100 - 95 - 3.6=92, 644/3.0=22, 646/1.8=20 H SER 90 - HA2 GLY 125 lone 2 100 - 2 - 1528/3.0=1 H SER 90 - HA3 GLY 125 lone 2 100 - 2 - 1528/3.0=1 H LEU 58 - HA2 GLY 125 lone 1 100 - 1 - H LEU 58 - HA3 GLY 125 lone 1 100 - 1 - H LEU 58 - HA2 GLY 25 lone 1 50 - 3 - 264/1.8=2 H ASN 118 - HA2 GLY 125 lone 1 96 - 1 - H ASN 118 - HA3 GLY 125 lone 1 96 - 1 - H LEU 111 - HA2 GLY 125 lone 1 71 - 1 - H LEU 111 - HA3 GLY 125 lone 1 71 - 1 - HE21 GLN 103 - HA3 GLY 125 lone 1 92 - 1 - HE21 GLN 103 - HA2 GLY 125 lone 1 92 - 1 - H LEU 126 - HA2 GLY 25 lone 1 50 - 2 - H LEU 91 - HA3 GLY 125 lone 1 78 - 1 - H LEU 91 - HA2 GLY 125 lone 1 78 - 1 - HE21 GLN 103 - HA2 GLY 25 lone 1 42 - 1 - H SER 90 - HA2 GLY 25 lone 0 50 - 1 - H ASN 118 - HA2 GLY 25 lone 0 45 - 1 - H LEU 111 - HA2 GLY 25 lone 0 29 - 1 - H LEU 91 - HA2 GLY 25 lone 0 33 - 1 - Peak 5944 from cnoeabs.peaks (8.45, 4.21, 60.93 ppm; 4.43 A): 4 out of 10 assignments used, quality = 0.73: * H GLN 16 + HA SER 13 OK 44 100 - 44 - 1536=12, 4.6/5949=8...(11) H GLN 16 + HA VAL 26 OK 37 99 - 37 - 1536=11, 4.9/8182=8...(8) H LEU 51 + HA VAL 26 OK 15 64 - 23 - 1004/3.2=5, 1004/3.2=5...(6) H ILE 63 + HA VAL 26 OK 11 94 - 11 - 5.0/7146=2, 5.2/8311=2 H ILE 63 - HA SER 13 lone 7 96 - 7 - 5.0/7146=1 H GLU 82 - HA VAL 26 lone 6 99 - 6 - H GLU 82 - HA SER 13 lone 5 100 - 5 - H LEU 51 - HA SER 13 lone 5 65 - 7 - 219/3.6=2, 4.6/5439=2 H TYR 102 - HA VAL 26 lone 4 58 - 6 - 4.6/5947=1, 1283/3.0=1 H TYR 102 - HA SER 13 lone 2 60 - 4 - Peak 5945 from cnoeabs.peaks (2.08, 4.21, 60.93 ppm; 3.55 A): 6 out of 30 assignments used, quality = 0.94: HB2 ARG 57 + HA VAL 26 OK 50 98 - 52 - 7034/3.2=5, 7034/3.2=5...(23) HG LEU 21 + HA VAL 26 OK 40 99 - 41 - ~6490=6, ~8213=5...(16) HB3 GLN 16 + HA VAL 26 OK 33 99 - 33 - 3.0/8182=7, 3.0/8181=5...(11) HB2 GLN 16 + HA VAL 26 OK 33 99 - 33 - 3.0/8182=7, 3.0/8181=5...(11) * HB2 GLN 16 + HA SER 13 OK 31 100 - 31 - 3.0/8182=6, 4.1/5949=5...(9) HB3 GLN 16 + HA SER 13 OK 31 100 - 31 - 3.0/8182=6, 4.1/5949=5...(9) HG3 PRO 37 - HA VAL 26 OK 18 58 - 31 - 1.8/2244=5, 2.3/2244=4...(15) HB2 LEU 101 - HA VAL 26 OK 18 79 - 23 - ~7710=3, ~6493=3...(12) HB2 GLU 15 - HA SER 13 OK 15 99 - 16 - 4.6/5944=5, 6300/3.6=4...(5) HB3 GLU 38 - HA SER 13 OK 11 85 - 13 - 6300/3.6=2, 3.0/1889=2...(5) HB3 GLU 38 - HA VAL 26 poor 9 83 - 11 - 3.0/1889=2, 7034/3.2=2...(5) HB ILE 63 - HA VAL 26 poor 9 90 - 10 - 3.2/7146=2, 3.0/8311=1 HB2 GLU 15 - HA VAL 26 lone 8 97 - 8 - 4.6/5944=4 HB ILE 63 - HA SER 13 lone 6 92 - 6 - 3.2/7146=1 HG3 PRO 37 - HA SER 13 lone 6 60 - 9 - 1.8/2244=2, 2.3/2244=1 HB3 ARG 81 - HA VAL 26 lone 5 64 - 8 - 3.5/8690=2 HB2 GLN 105 - HA VAL 26 lone 5 99 - 5 - HB2 LEU 114 - HA VAL 26 lone 5 99 - 5 - HB2 ARG 57 - HA SER 13 lone 4 99 - 4 - 6300/3.6=1 HG LEU 21 - HA SER 13 lone 4 100 - 4 - HB2 LEU 101 - HA SER 13 lone 4 81 - 5 - 5833/2.9=1 HB2 GLN 105 - HA SER 13 lone 2 100 - 2 - HB2 LEU 114 - HA SER 13 lone 2 100 - 2 - HB3 PRO 70 - HA VAL 26 lone 2 69 - 3 - HG3 GLU 69 - HA VAL 26 lone 2 94 - 2 - HB3 PRO 70 - HA SER 13 lone 2 71 - 2 - HG2 GLU 64 - HA SER 13 lone 1 99 - 1 - HG2 GLU 64 - HA VAL 26 lone 1 98 - 1 - HB3 ARG 81 - HA SER 13 lone 1 65 - 2 - HG3 GLU 69 - HA SER 13 lone 1 96 - 1 - Peak 5946 from cnoeabs.peaks (4.21, 2.08, 28.51 ppm; 3.94 A): 4 out of 20 assignments used, quality = 0.95: HA THR 17 + HB2 GLN 16 OK 64 85 - 75 - 3.0/5450=9, 4.1/8471=9...(24) HA THR 17 + HB3 GLN 16 OK 64 85 - 75 - 3.0/5450=9, 4.1/8471=9...(24) HA VAL 26 + HB2 GLN 16 OK 39 100 - 39 - 8182/3.0=9, 8181/3.0=6...(11) HA VAL 26 + HB3 GLN 16 OK 39 100 - 39 - 8182/3.0=9, 8181/3.0=6...(11) ! HA SER 13 - HB2 GLN 16 OK 37 100 - 37 - 8182/3.0=8, 5949/4.1=7...(9) HA SER 13 - HB3 GLN 16 OK 37 100 - 37 - 8182/3.0=8, 5949/4.1=7...(9) HA ILE 22 - HB2 GLN 16 OK 12 100 - 12 - 1541/4.1=2, 1536/4.0=1...(5) HA ILE 22 - HB3 GLN 16 OK 12 100 - 12 - 1541/4.1=2, 1536/4.0=1...(5) HA CYS 52 - HB2 GLN 16 lone 6 99 - 6 - HA CYS 52 - HB3 GLN 16 lone 6 99 - 6 - HA VAL 66 - HB2 GLN 16 lone 4 100 - 4 - HA VAL 66 - HB3 GLN 16 lone 4 100 - 4 - HA3 GLY 61 - HB2 GLN 16 lone 2 78 - 3 - 3.6/7098=1 HA3 GLY 61 - HB3 GLN 16 lone 2 78 - 3 - 3.6/7098=1 HA LEU 126 - HB2 GLN 16 lone 2 99 - 2 - HA LEU 126 - HB3 GLN 16 lone 2 99 - 2 - HA ALA 89 - HB2 GLN 16 lone 2 65 - 3 - HA ALA 89 - HB3 GLN 16 lone 2 65 - 3 - HA PRO 68 - HB3 GLN 16 lone 1 60 - 2 - HA PRO 68 - HB2 GLN 16 lone 1 60 - 2 - Peak 5947 from cnoeabs.peaks (2.08, 4.21, 60.93 ppm; 3.55 A): 6 out of 28 assignments used, quality = 0.94: HB2 ARG 57 + HA VAL 26 OK 50 97 - 52 - 7034/3.2=5, 7034/3.2=5...(23) HG LEU 21 + HA VAL 26 OK 40 99 - 41 - ~6490=6, ~8213=5...(16) HB3 GLN 16 + HA VAL 26 OK 33 99 - 33 - 3.0/8182=7, 3.0/8181=5...(11) HB2 GLN 16 + HA VAL 26 OK 32 99 - 33 - 3.0/8182=7, 3.0/8181=5...(11) HB2 GLN 16 + HA SER 13 OK 31 100 - 31 - 3.0/8182=6, 4.1/5949=5...(9) * HB3 GLN 16 + HA SER 13 OK 31 100 - 31 - 3.0/8182=6, 4.1/5949=5...(9) HB2 LEU 101 - HA VAL 26 OK 18 81 - 23 - ~7710=3, ~6493=3...(12) HB2 GLU 15 - HA SER 13 OK 15 99 - 16 - 4.6/5944=5, 6300/3.6=4...(5) HB3 GLU 38 - HA SER 13 OK 10 83 - 13 - 6300/3.6=2, 3.0/1889=2...(5) HB ILE 63 - HA VAL 26 poor 9 89 - 10 - 3.2/7146=2, 3.0/8311=1 HB3 GLU 38 - HA VAL 26 poor 9 81 - 11 - 3.0/1889=2, 7034/3.2=2...(5) HB2 GLU 15 - HA VAL 26 lone 8 98 - 8 - 4.6/5944=4 HB ILE 63 - HA SER 13 lone 6 90 - 6 - 3.2/7146=1 HB3 ARG 81 - HA VAL 26 lone 5 61 - 8 - 3.5/8690=2 HB2 GLN 105 - HA VAL 26 lone 5 99 - 5 - HB2 LEU 114 - HA VAL 26 lone 5 99 - 5 - HG LEU 21 - HA SER 13 lone 4 100 - 4 - HB2 ARG 57 - HA SER 13 lone 4 99 - 4 - 6300/3.6=1 HB2 LEU 101 - HA SER 13 lone 4 83 - 5 - 5833/2.9=1 HB2 GLN 105 - HA SER 13 lone 2 100 - 2 - HB2 LEU 114 - HA SER 13 lone 2 100 - 2 - HB3 PRO 70 - HA VAL 26 lone 2 72 - 3 - HG3 GLU 69 - HA VAL 26 lone 2 95 - 2 - HB3 PRO 70 - HA SER 13 lone 2 73 - 2 - HG2 GLU 64 - HA SER 13 lone 1 99 - 1 - HG2 GLU 64 - HA VAL 26 lone 1 97 - 1 - HG3 GLU 69 - HA SER 13 lone 1 97 - 1 - HB3 ARG 81 - HA SER 13 lone 1 63 - 2 - Peak 5948 from cnoeabs.peaks (4.21, 2.08, 28.51 ppm; 3.94 A): 4 out of 20 assignments used, quality = 0.95: HA THR 17 + HB3 GLN 16 OK 64 85 - 75 - 3.0/5451=9, 4.1/8471=9...(24) HA THR 17 + HB2 GLN 16 OK 64 85 - 75 - 3.0/5450=9, 4.1/8471=9...(24) HA VAL 26 + HB2 GLN 16 OK 39 100 - 39 - 8182/3.0=9, 8181/3.0=6...(11) HA VAL 26 + HB3 GLN 16 OK 39 100 - 39 - 8182/3.0=9, 8181/3.0=6...(11) HA SER 13 - HB2 GLN 16 OK 37 100 - 37 - 8182/3.0=8, 5949/4.1=7...(9) ! HA SER 13 - HB3 GLN 16 OK 37 100 - 37 - 8182/3.0=8, 5949/4.1=7...(9) HA ILE 22 - HB2 GLN 16 OK 12 100 - 12 - 1541/4.1=2, 1536/4.0=1...(5) HA ILE 22 - HB3 GLN 16 OK 12 100 - 12 - 1541/4.1=2, 1536/4.0=1...(5) HA CYS 52 - HB2 GLN 16 lone 6 99 - 6 - HA CYS 52 - HB3 GLN 16 lone 6 99 - 6 - HA VAL 66 - HB2 GLN 16 lone 4 100 - 4 - HA VAL 66 - HB3 GLN 16 lone 4 100 - 4 - HA3 GLY 61 - HB2 GLN 16 lone 2 78 - 3 - 3.6/7098=1 HA3 GLY 61 - HB3 GLN 16 lone 2 78 - 3 - 3.6/7098=1 HA LEU 126 - HB2 GLN 16 lone 2 99 - 2 - HA LEU 126 - HB3 GLN 16 lone 2 99 - 2 - HA ALA 89 - HB3 GLN 16 lone 2 65 - 3 - HA ALA 89 - HB2 GLN 16 lone 2 65 - 3 - HA PRO 68 - HB3 GLN 16 lone 1 60 - 2 - HA PRO 68 - HB2 GLN 16 lone 1 60 - 2 - Peak 5949 from cnoeabs.peaks (7.99, 4.21, 60.93 ppm; 4.72 A): 3 out of 10 assignments used, quality = 0.72: * H THR 17 + HA SER 13 OK 49 100 - 49 - 5951/4.9=13, 4.6/5944=8...(14) H THR 17 + HA VAL 26 OK 38 99 - 39 - 5.0/8182=9, 4.6/5944=7...(12) H THR 19 + HA SER 13 OK 11 73 - 15 - 5951/4.9=6, 4.6/43=2, 1548=1 H THR 116 - HA SER 13 poor 9 73 - 12 - 5951/4.9=4, 4.3/7975=3, 1541=1 H THR 19 - HA VAL 26 lone 5 72 - 8 - 4.6/43=1, 4.6/1555=1 H THR 116 - HA VAL 26 lone 5 72 - 6 - 4.3/7975=1 H LEU 114 - HA SER 13 lone 4 78 - 5 - 5951/4.9=1 H LEU 114 - HA VAL 26 lone 3 76 - 4 - HE ARG 85 - HA SER 13 lone 3 96 - 3 - 5951/4.9=1 HE ARG 85 - HA VAL 26 lone 3 94 - 3 - Peak 5951 from cnoeabs.peaks (7.99, 4.02, 55.48 ppm; 4.18 A): 3 out of 5 assignments used, quality = 0.88: * H THR 17 + HA ALA 14 OK 77 100 - 77 - 4.0/5952=22, 4.8/6312=18...(15) H THR 19 + HA ALA 14 OK 33 73 - 45 - 4.6/5954=14, 1550=9...(10) H THR 116 + HA ALA 14 OK 21 73 - 29 - 6315/2.1=5, 4.3/6297=5...(9) HE ARG 85 - HA ALA 14 lone 7 96 - 8 - 1533/3.6=2, 6315/2.1=2 H LEU 114 - HA ALA 14 lone 7 78 - 9 - 7898/7902=1 Peak 5952 from cnoeabs.peaks (4.33, 4.02, 55.48 ppm; 3.79 A): 2 out of 5 assignments used, quality = 0.72: * HB THR 17 + HA ALA 14 OK 69 100 - 69 - 2.8/6312=23, 5953=15...(12) HA PHE 40 + HA ALA 14 OK 10 97 - 10 - 6756/6755=2, 44/5954=1...(4) HA ASP 100 - HA ALA 14 lone 3 76 - 4 - HA CYS 76 - HA ALA 14 lone 2 60 - 3 - HB2 SER 78 - HA ALA 14 lone 1 60 - 2 - Peak 5953 from cnoeabs.peaks (4.02, 4.33, 67.65 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.95: * HA ALA 14 + HB THR 17 OK 84 100 - 85 - 5952=41, 6312/2.8=29...(15) HA GLN 16 + HB THR 17 OK 66 97 - 68 - 3.6/820=23, ~8472=14...(14) HD3 PRO 37 - HB THR 17 OK 23 78 - 30 - 3.8/8470=21, 6341/2.1=3...(4) HA TYR 102 - HB THR 17 lone 7 71 - 9 - 7737/2.1=3, 1543/4.6=1 HA PHE 107 - HB THR 17 lone 6 92 - 7 - 7902/8160=2, 6755/6756=1 HA ARG 81 - HB THR 17 lone 2 60 - 4 - HA THR 62 - HB THR 17 lone 2 65 - 3 - Peak 5954 from cnoeabs.peaks (8.59, 4.02, 55.48 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.74: * H VAL 18 + HA ALA 14 OK 70 100 - 71 - 4.6/5952=23, 1546=20...(11) H ILE 34 + HA ALA 14 OK 12 100 - 12 - 4.0/6641=4, 5455/5952=2...(4) H GLY 86 - HA ALA 14 poor 8 65 - 12 - 4.7/5442=3, 418/3.6=2...(4) H SER 29 - HA ALA 14 lone 4 71 - 6 - Peak 5956 from cnoeabs.peaks (8.59, 3.85, 60.09 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.69: * H VAL 18 + HA GLU 15 OK 63 100 - 63 - 1537/3.6=16, 1545=14...(10) H ILE 34 + HA GLU 15 OK 15 100 - 15 - 1537/3.6=4, 1996/6319=2...(6) H GLY 86 - HA GLU 15 lone 5 65 - 8 - 1537/3.6=2, 418/3.0=2 H SER 29 - HA GLU 15 lone 3 71 - 4 - Peak 5957 from cnoeabs.peaks (2.36, 3.85, 60.09 ppm; 3.24 A): 3 out of 9 assignments used, quality = 0.93: HG2 GLU 15 + HA GLU 15 OK 77 97 - 79 - 4.1=50, 1.8/1929=16...(11) * HB VAL 18 + HA GLU 15 OK 51 100 - 51 - 2.1/6319=13, 2.1/6320=12...(12) HG2 PRO 70 + HA GLU 15 OK 37 98 - 38 - 2.3/1909=6, 1914/3.0=4...(17) HB2 GLU 82 - HA GLU 15 poor 9 87 - 11 - 3.7/5444=3, ~6140=1, 808/3.0=1 HB3 GLU 82 - HA GLU 15 poor 9 87 - 11 - 3.7/5444=3, ~6140=1, 808/3.0=1 HB2 GLN 103 - HA GLU 15 lone 7 93 - 7 - HB3 ASN 118 - HA GLU 15 lone 4 100 - 4 - HG2 MET 11 - HA GLU 15 lone 3 83 - 4 - HB2 LEU 54 - HA GLU 15 lone 1 65 - 1 - Peak 5958 from cnoeabs.peaks (3.85, 2.36, 31.57 ppm; 3.75 A): 6 out of 20 assignments used, quality = 0.94: * HA GLU 15 + HB VAL 18 OK 64 100 - 64 - 6319/2.1=17, 6320/2.1=16...(12) HA THR 19 + HB VAL 18 OK 57 99 - 58 - 3.0/48=16, ~49=8, ~50=8...(12) HA THR 116 + HB VAL 18 OK 24 83 - 29 - 3.0/5458=5, 6372/2.1=3...(11) HA LEU 77 + HB VAL 18 OK 23 96 - 24 - 3992/2.1=5, 3.0/1994=4...(10) HA THR 33 + HB VAL 18 OK 21 97 - 21 - 3.6/1991=6, 5535/4.0=4...(8) HB THR 33 + HB VAL 18 OK 18 96 - 19 - 5536/4.0=5, 4.6/1991=4...(8) HA LYS 119 - HB VAL 18 poor 10 89 - 11 - 3.0/606=3, 6361/2.1=2...(5) HB2 SER 35 - HB VAL 18 lone 4 99 - 4 - HA3 GLY 104 - HB VAL 18 lone 4 99 - 4 - HA THR 116 - HG2 MET 11 lone 3 42 - 8 - ~1863=1, 5981/3.0=1 HA GLU 15 - HG2 MET 11 lone 3 58 - 5 - HB2 SER 13 - HB VAL 18 lone 3 81 - 4 - HA THR 19 - HG2 MET 11 lone 3 56 - 5 - 3.0/48=1 HA3 GLY 104 - HG2 MET 11 lone 3 57 - 5 - 3.0/514=2 HA LYS 119 - HG2 MET 11 lone 2 46 - 3 - HB2 SER 35 - HG2 MET 11 lone 1 56 - 2 - HA LEU 77 - HG2 MET 11 lone 1 52 - 2 - HA THR 33 - HG2 MET 11 lone 1 53 - 1 - HB THR 33 - HG2 MET 11 lone 1 52 - 1 - HB2 SER 13 - HG2 MET 11 lone 0 40 - 1 - Peak 5959 from cnoeabs.peaks (8.02, 3.85, 60.09 ppm; 4.57 A): 4 out of 4 assignments used, quality = 0.91: * H THR 19 + HA GLU 15 OK 69 100 - 69 - 4.6/5956=18, 4.3/6320=15...(15) H THR 17 + HA GLU 15 OK 42 73 - 58 - 4.7/5956=18, 34/3.6=16...(13) H THR 116 + HA GLU 15 OK 40 100 - 40 - 589/3.0=5, 4.4/1907=4...(18) H SER 112 + HA GLU 15 OK 13 92 - 14 - 4.6/6319=3, 568/6319=2...(4) Peak 5960 from cnoeabs.peaks (8.59, 4.03, 58.89 ppm; 4.81 A): 2 out of 8 assignments used, quality = 0.80: * H VAL 18 + HA GLN 16 OK 76 100 - 76 - 1537/3.0=22, 1432/3.6=22...(14) H ILE 34 + HA GLN 16 OK 19 100 - 19 - 1537/3.0=6, 1432/3.6=4...(5) H GLY 86 - HA GLN 16 poor 7 65 - 11 - 1537/3.0=3, 1432/3.6=3 H VAL 18 - HA LYS 109 poor 6 50 - 11 - 4.6/1550=2, 1543=2 H SER 29 - HA GLN 16 lone 4 71 - 6 - 1432/3.6=1, 1537/3.0=1 H GLY 86 - HA LYS 109 lone 2 26 - 9 - 5.0/4911=2, 422/3.7=2, 421/2.9=2 H ILE 34 - HA LYS 109 lone 2 50 - 3 - 4.0/6641=1 H SER 29 - HA LYS 109 lone 1 29 - 3 - Peak 5961 from cnoeabs.peaks (8.02, 4.03, 58.89 ppm; 3.83 A): 4 out of 8 assignments used, quality = 0.91: H THR 17 + HA GLN 16 OK 73 73 - 100 - 3.6=100 * H THR 19 + HA GLN 16 OK 51 100 - 51 - 1550=13, 4.6/5960=10...(9) H THR 116 + HA GLN 16 OK 19 100 - 19 - 34/3.0=3, 35=2...(6) H SER 112 + HA LYS 109 OK 12 42 - 29 - 1754/3.6=10, 1755=6...(9) H THR 19 - HA LYS 109 poor 7 50 - 14 - 1550=3, 1747/3.6=3...(5) H SER 112 - HA GLN 16 lone 7 92 - 7 - H THR 116 - HA LYS 109 poor 6 50 - 11 - 1747/3.6=2, 1776=2, 4.3/7974=1 H THR 17 - HA LYS 109 lone 2 30 - 7 - Peak 5962 from cnoeabs.peaks (4.25, 4.03, 58.89 ppm; 3.54 A): 4 out of 22 assignments used, quality = 0.80: HA THR 17 + HA GLN 16 OK 49 93 - 52 - 3.5/5960=10, 3.0/5953=7...(18) * HB THR 19 + HA GLN 16 OK 46 100 - 47 - 5963=17, 2.1/6323=9...(11) HA LEU 58 + HA LYS 109 OK 18 49 - 36 - 3.0/7058=4, 3349/2.9=4...(20) HA VAL 26 + HA GLN 16 OK 11 63 - 17 - 8182/4.0=4, 5944/3.0=3...(7) HA GLN 103 - HA LYS 109 poor 5 26 - 20 - 2.9/507=4, 5843/3.0=4...(8) HB THR 19 - HA LYS 109 lone 5 50 - 10 - 5963=3, 2.1/6378=2...(4) HA GLN 103 - HA GLN 16 lone 4 65 - 6 - 2.9/507=1 HA GLU 64 - HA GLN 16 lone 4 97 - 4 - HA LEU 58 - HA GLN 16 lone 4 100 - 4 - HA3 GLY 48 - HA GLN 16 lone 3 100 - 3 - HA CYS 52 - HA GLN 16 lone 2 65 - 4 - HA ALA 89 - HA GLN 16 lone 2 99 - 2 - HA THR 17 - HA LYS 109 lone 2 43 - 4 - HA GLU 64 - HA LYS 109 lone 1 45 - 3 - HA3 GLY 48 - HA LYS 109 lone 1 50 - 2 - HA ALA 89 - HA LYS 109 lone 1 49 - 2 - HA GLU 94 - HA LYS 109 lone 1 32 - 2 - HA GLU 94 - HA GLN 16 lone 1 76 - 1 - HA ALA 122 - HA GLN 16 lone 0 76 - 1 - HA CYS 52 - HA LYS 109 lone 0 26 - 1 - HA VAL 26 - HA LYS 109 lone 0 25 - 1 - HA ALA 122 - HA LYS 109 lone 0 32 - 1 - Peak 5963 from cnoeabs.peaks (4.03, 4.25, 68.61 ppm; 3.85 A): 4 out of 8 assignments used, quality = 0.68: * HA GLN 16 + HB THR 19 OK 50 100 - 50 - 5962=14, 6323/2.1=11...(11) HA ALA 14 + HB THR 19 OK 15 97 - 16 - 1550/4.0=5, 6378/2.1=3...(4) HA TYR 102 + HB THR 19 OK 14 93 - 15 - 6378/2.1=5, 1550/4.0=2...(6) HD3 PRO 37 + HB THR 19 OK 11 97 - 11 - 6378/2.1=3, 1550/4.0=2...(5) HA LYS 109 - HB THR 19 poor 9 83 - 11 - 6378/2.1=3, 6205/4.0=2...(4) HA LEU 55 - HB THR 19 poor 8 73 - 12 - 6378/2.1=4, 1556/4.4=1 HA SER 112 - HB THR 19 poor 8 68 - 12 - 6378/2.1=3, 3.0/2010=2...(5) HA PHE 107 - HB THR 19 lone 1 68 - 2 - Peak 5964 from cnoeabs.peaks (8.28, 4.03, 58.89 ppm; 4.91 A): 1 out of 10 assignments used, quality = 0.60: * H TRP 20 + HA GLN 16 OK 60 100 - 60 - 1556=22, 4.4/5963=14...(9) H ILE 22 - HA GLN 16 poor 9 73 - 12 - 69/3.0=2, 69/3.0=2, ~1536=2 H TRP 20 - HA LYS 109 poor 7 50 - 14 - 1556=4, 4.2/6378=3...(4) H GLU 69 - HA GLN 16 lone 6 92 - 7 - H VAL 49 - HA GLN 16 lone 3 68 - 5 - H CYS 87 - HA GLN 16 lone 3 65 - 5 - 4.6/5960=2 H GLU 69 - HA LYS 109 lone 3 42 - 7 - 324/2.9=2, 1103/2.9=2 H ILE 22 - HA LYS 109 lone 2 30 - 5 - H CYS 87 - HA LYS 109 lone 1 26 - 3 - H VAL 49 - HA LYS 109 lone 1 28 - 2 - Peak 5966 from cnoeabs.peaks (8.28, 4.23, 67.21 ppm; 4.70 A): 3 out of 5 assignments used, quality = 0.80: * H TRP 20 + HA THR 17 OK 69 100 - 69 - 4.0/5967=17, 4.0/5969=17...(11) H ILE 22 + HA THR 17 OK 26 73 - 36 - 4.6/1561=5, 5.0/6419=4...(16) H CYS 87 + HA THR 17 OK 12 65 - 19 - 3.6/5967=6, 4.6/5454=3...(4) H GLU 69 - HA THR 17 lone 7 92 - 8 - 2028/5967=1, 2038/5969=1 H VAL 49 - HA THR 17 lone 6 68 - 8 - 213=1 Peak 5967 from cnoeabs.peaks (3.70, 4.23, 67.21 ppm; 4.61 A): 3 out of 5 assignments used, quality = 0.81: * HB2 TRP 20 + HA THR 17 OK 71 100 - 71 - 1.8/5969=24, 8459/3.2=19...(8) HA3 GLY 86 + HA THR 17 OK 23 90 - 25 - 8459/3.2=6, 3.0/5454=4...(9) HD3 PRO 30 + HA THR 17 OK 13 92 - 14 - 8459/3.2=3, 6588/3.5=2...(5) HA2 GLY 104 - HA THR 17 lone 4 98 - 4 - 8459/3.2=1 HB3 SER 90 - HA THR 17 lone 2 63 - 3 - Peak 5968 from cnoeabs.peaks (4.23, 3.70, 28.23 ppm; 4.42 A): 5 out of 12 assignments used, quality = 0.91: * HA THR 17 + HB2 TRP 20 OK 72 100 - 72 - 5967=28, 5969/1.8=22...(8) HB THR 19 + HB2 TRP 20 OK 40 93 - 43 - 4.4/833=21, ~6379=13...(5) HA ILE 22 + HB2 TRP 20 OK 28 85 - 33 - ~1563=6, 3.0/2028=5...(9) HA CYS 52 + HB2 TRP 20 OK 16 95 - 17 - 3.0/2033=4, ~2043=3...(6) HA VAL 26 + HB2 TRP 20 OK 10 93 - 11 - 1561/4.5=4, 5970/1.8=2...(4) HA ALA 89 - HB2 TRP 20 lone 8 99 - 7 - 2.1/7561=1, 5970/1.8=1 HA3 GLY 48 - HB2 TRP 20 lone 7 95 - 7 - 53/4.0=2, 5970/1.8=1 HA LEU 58 - HB2 TRP 20 lone 5 85 - 6 - 53/4.0=2, 1561/4.5=1, 5970/1.8=1 HA VAL 66 - HB2 TRP 20 lone 5 83 - 6 - 4637/4.2=2, 5970/1.8=1 HA SER 13 - HB2 TRP 20 lone 4 85 - 5 - HA GLU 64 - HB2 TRP 20 lone 3 71 - 4 - HA LEU 126 - HB2 TRP 20 lone 1 68 - 2 - Peak 5969 from cnoeabs.peaks (3.22, 4.23, 67.21 ppm; 4.79 A): 2 out of 5 assignments used, quality = 0.80: * HB3 TRP 20 + HA THR 17 OK 73 100 - 73 - 1.8/5967=26, 5970=18...(8) HA GLN 42 + HA THR 17 OK 26 97 - 27 - 8462/3.2=8, ~1589=5...(7) HB3 PHE 83 - HA THR 17 lone 7 92 - 8 - 8462/3.2=3, ~6340=2 HD2 ARG 71 - HA THR 17 lone 5 100 - 5 - 8462/3.2=2 HD2 ARG 81 - HA THR 17 lone 3 76 - 4 - Peak 5970 from cnoeabs.peaks (4.23, 3.22, 28.23 ppm; 4.41 A): 5 out of 12 assignments used, quality = 0.90: * HA THR 17 + HB3 TRP 20 OK 71 100 - 71 - 5969=25, 5967/1.8=23...(8) HB THR 19 + HB3 TRP 20 OK 41 93 - 44 - 4.4/834=23, ~6379=13...(5) HA ILE 22 + HB3 TRP 20 OK 26 85 - 31 - ~1563=6, 5968/1.8=5...(8) HA CYS 52 + HB3 TRP 20 OK 16 95 - 17 - 3.0/2043=5, 5968/1.8=3...(6) HA VAL 26 + HB3 TRP 20 OK 10 93 - 11 - 1561/4.5=4, 5968/1.8=2...(4) HA3 GLY 48 - HB3 TRP 20 lone 7 95 - 7 - 53/4.0=2, 5968/1.8=1 HA ALA 89 - HB3 TRP 20 lone 6 99 - 6 - 5968/1.8=2, ~7561=1 HA VAL 66 - HB3 TRP 20 lone 5 83 - 6 - 4637/4.2=2, 5968/1.8=1 HA LEU 58 - HB3 TRP 20 lone 5 85 - 6 - 53/4.0=2, 1561/4.5=1, 5968/1.8=1 HA SER 13 - HB3 TRP 20 lone 4 85 - 4 - HA GLU 64 - HB3 TRP 20 lone 3 71 - 4 - HA LEU 126 - HB3 TRP 20 lone 1 68 - 2 - Peak 5973 from cnoeabs.peaks (8.21, 3.48, 68.10 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.67: * H LEU 21 + HA VAL 18 OK 62 100 - 62 - 1560=24, 4.7/6359=11...(10) H MET 11 + HA VAL 18 OK 13 100 - 13 - 4.1/5974=2, 2126/6417=2...(6) H ASP 100 - HA VAL 18 lone 8 87 - 10 - ~8393=1, 3.8/8416=1, ~44=1 Peak 5974 from cnoeabs.peaks (1.93, 3.48, 68.10 ppm; 4.29 A): 5 out of 19 assignments used, quality = 0.92: * HB2 LEU 21 + HA VAL 18 OK 66 100 - 67 - 3.8/5973=18, 3.1/6359=15...(16) HB ILE 22 + HA VAL 18 OK 36 89 - 41 - 3.9/5978=10, 3.2/6440=10...(13) HG LEU 58 + HA VAL 18 OK 36 99 - 37 - 2.1/2002=7, 2.1/1990=5...(12) HB3 GLU 69 + HA VAL 18 OK 26 89 - 30 - 3.6/7243=5, 4.8/3795=5...(10) HB2 LEU 84 + HA VAL 18 OK 25 76 - 33 - 1.8/6357=6, 5975=4...(16) HB3 MET 11 - HA VAL 18 OK 20 97 - 20 - 4.1/5973=4, 1854/3.0=2...(6) HB2 ARG 85 - HA VAL 18 OK 13 81 - 16 - 3.0/7494=4, 4.7/1695=2 HB3 ARG 85 - HA VAL 18 OK 13 81 - 16 - 3.0/7494=4, 4.7/1695=2 HB2 GLU 28 - HA VAL 18 OK 10 78 - 13 - 5506/3.0=2, ~8392=1...(4) HB3 LYS 119 - HA VAL 18 lone 8 89 - 10 - 2.9/6357=1 HB ILE 80 - HA VAL 18 lone 8 100 - 8 - ~8391=1 HB3 GLU 64 - HA VAL 18 lone 6 98 - 6 - HB2 GLU 64 - HA VAL 18 lone 6 97 - 6 - HB3 PRO 30 - HA VAL 18 lone 6 81 - 7 - ~6588=1, ~6590=1 HB2 LYS 109 - HA VAL 18 lone 5 97 - 5 - HB2 ARG 81 - HA VAL 18 lone 4 87 - 5 - HB2 GLU 38 - HA VAL 18 lone 4 92 - 5 - HB3 GLU 73 - HA VAL 18 lone 3 92 - 4 - HB3 GLU 94 - HA VAL 18 lone 2 65 - 3 - Peak 5975 from cnoeabs.peaks (3.48, 1.93, 41.51 ppm; 4.19 A): 6 out of 10 assignments used, quality = 0.93: * HA VAL 18 + HB2 LEU 21 OK 63 100 - 63 - 5973/3.8=18, 6359/3.1=15...(16) HA LEU 84 + HB2 LEU 84 OK 45 45 - 100 - 3.0=100 HA LEU 84 + HB2 LEU 21 OK 36 81 - 45 - 6417/3.1=8, 5977/1.8=7...(20) HD3 PRO 70 + HB2 LEU 21 OK 25 85 - 29 - 1560/3.8=5, 5977/1.8=4...(10) HA VAL 18 + HB2 LEU 84 OK 19 64 - 30 - 6357/1.8=6, 5974=4...(14) HB3 SER 44 + HB2 LEU 21 OK 11 87 - 13 - 6417/3.1=3, 5977/1.8=2...(6) HB2 SER 44 - HB2 LEU 21 poor 9 76 - 12 - ~6417=2, 5977/1.8=2...(6) HB3 SER 44 - HB2 LEU 84 poor 6 49 - 12 - ~2872=2, 4247/1.8=2...(6) HB2 SER 44 - HB2 LEU 84 poor 4 41 - 10 - 2872/3.0=2, ~4247=2...(4) HD3 PRO 70 - HB2 LEU 84 lone 1 48 - 3 - Peak 5976 from cnoeabs.peaks (1.05, 3.48, 68.10 ppm; 4.89 A): 3 out of 5 assignments used, quality = 0.96: HG13 ILE 34 + HA VAL 18 OK 77 95 - 82 - ~8396=20, ~8395=18...(16) * HB3 LEU 21 + HA VAL 18 OK 75 100 - 75 - 3.8/5973=23, 5977=20...(16) QG2 THR 33 + HA VAL 18 OK 33 100 - 33 - 5537/3.0=8, 4.2/1986=8...(8) QD2 LEU 101 - HA VAL 18 OK 26 87 - 30 - 2.1/1990=4, ~2000=3...(14) QG1 VAL 120 - HA VAL 18 lone 4 85 - 5 - Peak 5977 from cnoeabs.peaks (3.48, 1.05, 41.51 ppm; 5.05 A): 5 out of 5 assignments used, quality = 0.93: * HA VAL 18 + HB3 LEU 21 OK 76 100 - 76 - 5973/3.8=25, 6359/3.1=19...(16) HA LEU 84 + HB3 LEU 21 OK 43 81 - 53 - 6417/3.1=10, 5975/1.8=8...(21) HD3 PRO 70 + HB3 LEU 21 OK 29 85 - 34 - 1560/3.8=7, 5975/1.8=5...(11) HB3 SER 44 + HB3 LEU 21 OK 15 87 - 17 - 6417/3.1=4, 5975/1.8=2...(6) HB2 SER 44 + HB3 LEU 21 OK 12 76 - 16 - ~6417=3, 6417/3.1=2...(6) Peak 5978 from cnoeabs.peaks (8.30, 3.48, 68.10 ppm; 4.76 A): 3 out of 5 assignments used, quality = 0.86: * H ILE 22 + HA VAL 18 OK 67 100 - 67 - 4.6/5973=19, 1566=18...(13) H TRP 20 + HA VAL 18 OK 37 73 - 51 - 4.7/5973=19, 1434/3.6=18...(5) H CYS 87 + HA VAL 18 OK 32 100 - 32 - 1702=5, 426/3.0=3...(14) H THR 62 - HA VAL 18 lone 4 68 - 6 - H GLY 125 - HA VAL 18 lone 4 78 - 5 - Peak 5980 from cnoeabs.peaks (8.30, 3.84, 66.74 ppm; 4.26 A): 4 out of 10 assignments used, quality = 0.91: H TRP 20 + HA THR 19 OK 73 73 - 100 - 3.6=100 * H ILE 22 + HA THR 19 OK 40 100 - 40 - 1565=11, 4.6/1558=6...(12) H ILE 22 + HA THR 116 OK 30 94 - 32 - 1565=8, 6430/3.2=4...(10) H TRP 20 + HA THR 116 OK 16 64 - 25 - 4.2/2015=5, 52=5...(7) H CYS 87 - HA THR 19 lone 9 100 - 9 - 1434/3.0=1 H CYS 87 - HA THR 116 lone 7 93 - 7 - H THR 62 - HA THR 116 lone 3 59 - 5 - ~8605=2 H GLY 125 - HA THR 19 lone 2 78 - 2 - H THR 62 - HA THR 19 lone 2 68 - 2 - H GLY 125 - HA THR 116 lone 1 68 - 2 - Peak 5981 from cnoeabs.peaks (1.91, 3.84, 66.74 ppm; 3.53 A): 10 out of 34 assignments used, quality = 0.91: HB2 LYS 119 + HA THR 116 OK 30 64 - 47 - 5201=7, 8457/3.2=6...(18) HB ILE 80 + HA THR 19 OK 29 95 - 31 - 6109=5, 3.2/7411=4...(12) * HB ILE 22 + HA THR 19 OK 29 100 - 29 - 5982=6, 3.9/1565=4...(10) HB ILE 80 + HA THR 116 OK 29 85 - 34 - 6109=5, 3.2/7411=5...(12) HB ILE 22 + HA THR 116 OK 27 94 - 29 - 5982=6, 6432/3.2=5...(10) HG LEU 58 + HA THR 19 OK 17 76 - 23 - 2.1/6372=3, 2.1/6372=3...(10) HB2 LYS 119 + HA THR 19 OK 15 73 - 20 - 5201=3, 6376/3.2=2...(7) HG LEU 58 + HA THR 116 OK 12 66 - 18 - 5648/3.6=3, 2.1/6372=2...(6) HB2 LEU 21 + HA THR 19 OK 12 89 - 13 - 3.8/1558=5, 4.6/1565=3 HB3 MET 11 + HA THR 116 OK 10 91 - 11 - 1851/3.0=2, 8597/3.6=2 HB2 ARG 81 - HA THR 116 lone 9 93 - 10 - 4.0/1673=2, 7990/3.2=2, ~8605=2 HB2 LEU 84 - HA THR 116 lone 9 92 - 9 - 7990/3.2=2, ~8359=1 HB2 LEU 84 - HA THR 19 lone 7 99 - 7 - 4.3/5983=1 HG LEU 84 - HA THR 116 lone 7 70 - 9 - 8359/3.2=2, ~7989=2...(4) HB2 LEU 21 - HA THR 116 lone 6 79 - 8 - 4.6/1565=2, 3.8/1558=1 HG LEU 55 - HA THR 19 lone 5 71 - 8 - ~6375=2, 6376/3.2=1, 2.1/6370=1 HG LEU 55 - HA THR 116 lone 5 61 - 8 - 2.1/6370=1 HB2 ARG 81 - HA THR 19 lone 5 100 - 5 - 4.0/1673=1 HB2 LYS 109 - HA THR 19 lone 4 63 - 6 - ~6205=1 HG LEU 84 - HA THR 19 lone 4 81 - 5 - HB3 MET 11 - HA THR 19 lone 4 99 - 4 - HB2 GLU 28 - HA THR 116 lone 3 92 - 3 - HB2 LYS 109 - HA THR 116 lone 3 54 - 5 - ~6205=1 HB3 LYS 31 - HA THR 116 lone 3 64 - 4 - HB3 GLU 73 - HA THR 19 lone 3 100 - 3 - HB2 GLU 28 - HA THR 19 lone 2 100 - 2 - HB3 GLU 73 - HA THR 116 lone 2 93 - 3 - HB3 LYS 31 - HA THR 19 lone 2 73 - 2 - HB3 GLU 64 - HA THR 19 lone 2 68 - 2 - HB2 GLU 64 - HA THR 19 lone 2 63 - 2 - HB VAL 50 - HA THR 116 lone 1 64 - 2 - HB3 GLU 64 - HA THR 116 lone 1 59 - 1 - HB VAL 50 - HA THR 19 lone 1 73 - 1 - HB2 GLU 64 - HA THR 116 lone 1 54 - 1 - Peak 5982 from cnoeabs.peaks (3.84, 1.91, 38.29 ppm; 3.89 A): 7 out of 12 assignments used, quality = 0.86: HB3 SER 29 + HB ILE 22 OK 39 57 - 68 - ~6433=12, ~6435=9...(20) * HA THR 19 + HB ILE 22 OK 33 100 - 33 - 5981=5, 1565/3.9=5...(12) HA THR 116 + HB ILE 22 OK 31 95 - 33 - 3.2/6432=6, 5981=5...(13) HA LYS 119 + HB ILE 22 OK 22 97 - 22 - 1565/3.9=2, 5192=2...(10) HA LEU 77 + HB ILE 22 OK 16 100 - 16 - 6108=3, 1571/4.4=2...(4) HB2 SER 13 + HB ILE 22 OK 15 63 - 24 - ~6289=4, 3.0/2148=3...(14) HA GLU 15 + HB ILE 22 OK 12 99 - 12 - 3.0/5479=2, 1571/4.4=2...(4) HA THR 33 - HB ILE 22 poor 9 87 - 11 - ~6428=2, 1565/3.9=2...(5) HA3 GLY 88 - HB ILE 22 poor 7 60 - 11 - ~7553=2, ~6435=1, ~7554=1 HB2 SER 35 - HB ILE 22 lone 6 93 - 7 - ~6289=1 HB THR 33 - HB ILE 22 lone 5 85 - 6 - 1565/3.9=1 HA3 GLY 104 - HB ILE 22 lone 3 95 - 3 - Peak 5983 from cnoeabs.peaks (8.74, 3.84, 66.74 ppm; 5.24 A): 5 out of 6 assignments used, quality = 0.79: H GLU 15 + HA THR 19 OK 38 71 - 54 - ~5959=10, 4.0/1911=7...(14) * H THR 23 + HA THR 19 OK 37 100 - 37 - 1571=10, 72/3.6=7...(6) H THR 23 + HA THR 116 OK 26 94 - 28 - 1571=7, 4.4/5982=6...(6) H GLU 15 + HA THR 116 OK 19 61 - 31 - ~5959=6, 1539/3.0=5...(13) H ARG 85 + HA THR 19 OK 12 100 - 12 - 1694/3.6=3, 1437/1565=1 H ARG 85 - HA THR 116 lone 8 93 - 9 - 4.3/5981=1, 1437/5980=1 Peak 5985 from cnoeabs.peaks (8.74, 4.60, 59.75 ppm; 6.02 A): 2 out of 3 assignments used, quality = 0.89: * H THR 23 + HA TRP 20 OK 84 100 - 84 - 1569/3.6=35, 4.0/5986=33...(7) H ARG 85 + HA TRP 20 OK 29 100 - 29 - 1562/3.6=12, 2186/5986=5...(7) H GLU 15 - HA TRP 20 poor 8 71 - 11 - ~52=4, 1562/3.6=3 Peak 5986 from cnoeabs.peaks (4.51, 4.60, 59.75 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.55: * HB THR 23 + HA TRP 20 OK 48 100 - 48 - 5987=20, 2.1/8199=12...(8) HA PRO 30 + HA TRP 20 OK 13 95 - 14 - 3.6/2020=4, 4631/4.5=4...(4) HA LEU 101 - HA TRP 20 lone 3 76 - 3 - HA LEU 91 - HA TRP 20 lone 2 98 - 2 - HA LEU 27 - HA TRP 20 lone 2 81 - 2 - Peak 5987 from cnoeabs.peaks (4.60, 4.51, 68.54 ppm; 4.07 A): 2 out of 4 assignments used, quality = 0.73: * HA TRP 20 + HB THR 23 OK 66 100 - 66 - 5986=35, 8199/2.1=18...(8) HA LEU 45 + HB THR 23 OK 22 100 - 22 - 8199/2.1=9, 1570/4.0=5...(6) HA GLU 69 - HB THR 23 lone 9 89 - 10 - 8199/2.1=3, 1570/4.0=3 HA ASP 47 - HB THR 23 lone 6 90 - 6 - 8199/2.1=2, 1570/4.0=1 Peak 5990 from cnoeabs.peaks (8.09, 3.38, 57.72 ppm; 4.60 A): 6 out of 6 assignments used, quality = 0.91: * H LEU 24 + HA LEU 21 OK 81 100 - 81 - 1574=34, 4.8/6403=25...(11) H THR 33 + HA LEU 21 OK 21 95 - 22 - 1567/3.6=4, 914/3.0=3...(8) H GLY 39 + HA LEU 21 OK 17 99 - 17 - 1567/3.6=3, 5995/4.9=2...(5) H SER 78 + HA LEU 21 OK 12 92 - 13 - 1567/3.6=2, 2229/6403=2...(6) HD22 ASN 79 + HA LEU 21 OK 11 85 - 13 - 1567/3.6=2, 5995/4.9=2 H GLN 105 + HA LEU 21 OK 10 100 - 10 - 1567/3.6=2, 5995/4.9=2 Peak 5991 from cnoeabs.peaks (1.51, 3.38, 57.72 ppm; 4.18 A): 3 out of 10 assignments used, quality = 0.87: * HB2 LEU 24 + HA LEU 21 OK 80 100 - 80 - 3.1/6403=30, 5992=20...(17) HB3 LEU 58 + HA LEU 21 OK 27 85 - 32 - 8435/6403=6, 5992=5...(14) HB3 LEU 114 + HA LEU 21 OK 10 99 - 11 - 1.8/2102=2, 5072/4.3=2...(5) HG2 ARG 85 - HA LEU 21 lone 9 99 - 9 - 5.0/1199=1, 861/1574=1 HG LEU 91 - HA LEU 21 lone 6 89 - 6 - HD3 LYS 46 - HA LEU 21 lone 5 78 - 7 - ~6401=1, 2231/6403=1 HG LEU 93 - HA LEU 21 lone 4 93 - 5 - HG3 ARG 92 - HA LEU 21 lone 4 100 - 4 - HG2 ARG 92 - HA LEU 21 lone 4 100 - 4 - HG2 LYS 109 - HA LEU 21 lone 2 68 - 3 - Peak 5992 from cnoeabs.peaks (3.38, 1.51, 43.84 ppm; 4.57 A): 4 out of 8 assignments used, quality = 0.93: * HA LEU 21 + HB2 LEU 24 OK 86 100 - 86 - 6403/3.1=35, 5991=26...(16) HA VAL 50 + HB2 LEU 24 OK 29 99 - 30 - 5994/1.8=8, 6466/3.1=7...(10) HA LEU 21 + HB3 LEU 58 OK 20 55 - 37 - 5991=9, 6403/2207=5...(14) HA2 GLY 86 + HB2 LEU 24 OK 10 65 - 16 - 5994/1.8=3, 3.0/422=2...(7) HB3 PHE 40 - HB2 LEU 24 poor 8 63 - 12 - 6466/3.1=3, 5994/1.8=2...(5) HA VAL 50 - HB3 LEU 58 poor 6 52 - 11 - 3049/1.8=1 HB3 PHE 40 - HB3 LEU 58 lone 2 28 - 8 - ~6349=3, ~4670=2 HA2 GLY 86 - HB3 LEU 58 lone 2 29 - 5 - 3.0/422=2 Peak 5993 from cnoeabs.peaks (1.22, 3.38, 57.72 ppm; 4.40 A): 2 out of 7 assignments used, quality = 0.92: * HB3 LEU 24 + HA LEU 21 OK 85 100 - 85 - 3.1/6403=33, 5994=25...(17) QG2 VAL 18 + HA LEU 21 OK 46 95 - 49 - ~5973=11, 6369/3.7=8...(16) HG LEU 77 - HA LEU 21 lone 9 92 - 10 - 2232/6403=2, 862/1574=2 HB3 LEU 111 - HA LEU 21 lone 9 100 - 9 - ~6405=2 HG2 LYS 32 - HA LEU 21 lone 7 100 - 7 - 5.0/5990=3 HB2 LEU 77 - HA LEU 21 poor 7 63 - 11 - 4.3/5990=2, 2232/6403=1 HG13 ILE 124 - HA LEU 21 lone 5 81 - 6 - ~8121=2, 5939/3.6=1 Peak 5994 from cnoeabs.peaks (3.38, 1.22, 43.84 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.93: * HA LEU 21 + HB3 LEU 24 OK 89 100 - 89 - 6403/3.1=38, 5993=25...(17) HA VAL 50 + HB3 LEU 24 OK 32 99 - 32 - 5992/1.8=8, 6466/3.1=7...(10) HA2 GLY 86 + HB3 LEU 24 OK 11 65 - 16 - 5992/1.8=3, 1574/3.9=3...(7) HB3 PHE 40 - HB3 LEU 24 poor 8 63 - 13 - 6466/3.1=3, 2.5/6744=3...(4) Peak 5995 from cnoeabs.peaks (8.09, 4.21, 64.47 ppm; 5.55 A): 6 out of 6 assignments used, quality = 0.94: * H LEU 24 + HA ILE 22 OK 82 100 - 82 - 79/3.6=30, 1573/3.0=24...(12) H THR 33 + HA ILE 22 OK 27 95 - 28 - 1567/3.0=7, 6428/3.2=5...(8) HD22 ASN 79 + HA ILE 22 OK 24 85 - 28 - 6428/3.2=5, 1567/3.0=4...(7) H GLY 39 + HA ILE 22 OK 23 99 - 23 - 1567/3.0=4, 6428/3.2=4...(6) H SER 78 + HA ILE 22 OK 16 92 - 18 - 1438/3.6=5, 1567/3.0=3...(5) H GLN 105 + HA ILE 22 OK 16 100 - 15 - 1567/3.0=4, 1438/3.6=3...(4) Peak 5996 from cnoeabs.peaks (8.09, 4.14, 65.35 ppm; 5.19 A): 7 out of 7 assignments used, quality = 0.87: * H GLY 39 + HA PRO 37 OK 52 100 - 53 - 1447/3.6=21, 4.6/5997=12...(11) H SER 78 + HA PRO 37 OK 29 76 - 38 - 3.6/6675=9, 4.3/6672=8...(11) H THR 33 + HA PRO 37 OK 28 100 - 28 - 6621/6673=6, 130/2.3=6...(7) HD22 ASN 79 + HA PRO 37 OK 16 97 - 16 - 1447/3.6=5, 1577=2...(5) H LEU 55 + HA PRO 37 OK 15 71 - 21 - 1447/3.6=4, 3.0/2670=3...(8) H LEU 24 + HA PRO 37 OK 15 99 - 15 - 3.9/6672=3, 1447/3.6=3...(4) H GLN 105 + HA PRO 37 OK 12 99 - 12 - 1447/3.6=2, 6621/6673=1 Peak 5997 from cnoeabs.peaks (8.49, 4.14, 65.35 ppm; 3.90 A): 5 out of 8 assignments used, quality = 0.89: * H PHE 40 + HA PRO 37 OK 66 100 - 66 - 1581=16, 4.0/5998=14...(13) H GLU 28 + HA PRO 37 OK 31 97 - 32 - 882=6, 885/2.3=4...(12) H LEU 77 + HA PRO 37 OK 24 81 - 30 - 3.0/6675=6, 4.0/6672=5...(12) H TYR 102 + HA PRO 37 OK 23 97 - 24 - 1279/3.6=3, 1734=3...(11) H LEU 84 + HA PRO 37 OK 21 99 - 21 - 405=3, 4.6/6699=3...(8) H SER 13 - HA PRO 37 lone 8 96 - 8 - 4.6/5998=1 H LYS 31 - HA PRO 37 lone 7 99 - 8 - 115/2.3=1 H GLY 2 - HA PRO 37 lone 2 100 - 2 - Peak 5998 from cnoeabs.peaks (2.90, 4.14, 65.35 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.67: * HB2 PHE 40 + HA PRO 37 OK 59 100 - 59 - 1.8/6000=19, 2.5/6699=14...(12) HB2 ASP 100 + HA PRO 37 OK 18 100 - 18 - 6742/6673=3, 5999=3...(8) HE2 LYS 32 - HA PRO 37 poor 7 65 - 10 - 3.8/6672=3, 4.7/2665=1 HE3 LYS 32 - HA PRO 37 poor 6 63 - 10 - 3.8/6672=3, 4.7/2665=1 HB3 ASN 12 - HA PRO 37 lone 5 97 - 5 - HB2 ASN 106 - HA PRO 37 lone 4 99 - 4 - Peak 5999 from cnoeabs.peaks (4.14, 2.90, 39.72 ppm; 4.15 A): 4 out of 28 assignments used, quality = 0.94: * HA PRO 37 + HB2 PHE 40 OK 74 100 - 74 - 5998=30, 6000/1.8=22...(12) HA PHE 83 + HB2 PHE 40 OK 43 100 - 43 - 6001/1.8=9, 4196/2.5=9...(11) HA ASN 108 + HB2 ASP 100 OK 42 99 - 43 - ~8149=17, ~7693=4...(11) HA PRO 37 + HB2 ASP 100 OK 25 99 - 26 - 5998=9, 6673/6742=4...(9) HA ALA 98 - HB2 ASP 100 OK 20 98 - 21 - ~7688=8, 1729/4.3=5...(4) HA GLU 28 - HB2 PHE 40 OK 17 92 - 18 - 6001/1.8=3, 1581/4.0=3...(8) HA ARG 57 - HB2 ASP 100 OK 11 58 - 18 - ~7695=2, ~7696=2...(11) HA ASN 108 - HB2 PHE 40 OK 10 100 - 10 - 3.6/7838=3, 6001/1.8=1 HA PHE 83 - HB2 ASP 100 lone 10 98 - 10 - 1729/4.3=1, ~8416=1 HA SER 78 - HB2 PHE 40 poor 9 71 - 13 - ~6017=3, ~1655=3...(5) HA ILE 63 - HB2 PHE 40 lone 9 100 - 9 - 7122/4.4=2, 6001/1.8=2...(4) HB3 SER 78 - HB2 PHE 40 lone 8 90 - 9 - 1581/4.0=2, 6001/1.8=2...(4) HA ALA 98 - HB2 PHE 40 lone 7 99 - 7 - 6001/1.8=1, 1581/4.0=1 HA ILE 124 - HB2 PHE 40 lone 7 100 - 7 - 1587/4.7=2, 6001/1.8=1 HB2 SER 113 - HB2 ASP 100 lone 6 96 - 6 - 1729/4.3=1, 7927/7686=1 HA ILE 63 - HB2 ASP 100 lone 5 98 - 5 - 1729/4.3=1 HB2 SER 113 - HB2 PHE 40 lone 5 97 - 5 - HA GLU 28 - HB2 ASP 100 lone 5 90 - 5 - HA ILE 124 - HB2 ASP 100 lone 4 99 - 4 - 1729/4.3=2 HA SER 78 - HB2 ASP 100 lone 3 69 - 5 - ~7689=2, ~1655=2 HB3 SER 78 - HB2 ASP 100 lone 3 88 - 3 - HA ARG 57 - HB2 PHE 40 lone 3 60 - 4 - HB3 SER 72 - HB2 PHE 40 lone 2 100 - 2 - HA GLU 56 - HB2 PHE 40 lone 2 68 - 3 - HA3 GLY 25 - HB2 ASP 100 lone 2 58 - 3 - HB3 SER 72 - HB2 ASP 100 lone 1 99 - 1 - HA3 GLY 25 - HB2 PHE 40 lone 1 60 - 2 - HA GLU 56 - HB2 ASP 100 lone 1 66 - 2 - Peak 6000 from cnoeabs.peaks (3.35, 4.14, 65.35 ppm; 3.88 A): 2 out of 4 assignments used, quality = 0.84: * HB3 PHE 40 + HA PRO 37 OK 69 100 - 69 - 1.8/5998=23, 6001=18...(13) HD3 PRO 60 + HA PRO 37 OK 50 96 - 52 - 2.3/2668=6, 3439/2.3=5...(23) HD3 ARG 85 - HA PRO 37 lone 6 89 - 6 - 6639/6673=2 HA LEU 21 - HA PRO 37 lone 3 63 - 5 - 6639/6673=1 Peak 6001 from cnoeabs.peaks (4.14, 3.35, 39.72 ppm; 4.06 A): 3 out of 14 assignments used, quality = 0.87: * HA PRO 37 + HB3 PHE 40 OK 75 100 - 75 - 6000=27, 5998/1.8=25...(13) HA PHE 83 + HB3 PHE 40 OK 42 100 - 42 - 4196/2.5=8, 3.7/2755=6...(11) HA GLU 28 + HB3 PHE 40 OK 13 92 - 14 - 3.0/2749=3, 1581/4.0=3...(7) HA SER 78 - HB3 PHE 40 poor 8 71 - 12 - ~6017=3, ~1655=3...(5) HA ILE 63 - HB3 PHE 40 lone 8 100 - 8 - 7122/4.4=2, 1587/4.7=1...(4) HB3 SER 78 - HB3 PHE 40 lone 7 90 - 8 - 1581/4.0=2, 7361/4.4=1 HA ILE 124 - HB3 PHE 40 lone 6 100 - 6 - 1587/4.7=2 HA ASN 108 - HB3 PHE 40 lone 6 100 - 6 - 5999/1.8=1 HA ALA 98 - HB3 PHE 40 lone 5 99 - 5 - 1581/4.0=1 HB2 SER 113 - HB3 PHE 40 lone 3 97 - 3 - HB3 SER 72 - HB3 PHE 40 lone 2 100 - 2 - HA GLU 56 - HB3 PHE 40 lone 2 68 - 3 - HA ARG 57 - HB3 PHE 40 lone 2 60 - 3 - HA3 GLY 25 - HB3 PHE 40 lone 1 60 - 2 - Peak 6002 from cnoeabs.peaks (8.54, 4.14, 65.35 ppm; 4.00 A): 5 out of 5 assignments used, quality = 0.94: H GLU 38 + HA PRO 37 OK 81 81 - 100 - 3.6=100 * H LEU 41 + HA PRO 37 OK 48 100 - 48 - 4.7/5998=12, 4.7/6000=11...(9) H ARG 53 + HA PRO 37 OK 19 100 - 19 - ~6068=3, ~8750=2...(8) H GLY 86 + HA PRO 37 OK 17 87 - 20 - 1697=4, 3.0/2669=4...(7) H GLU 94 + HA PRO 37 OK 12 100 - 12 - 4.6/6699=2 Peak 6003 from cnoeabs.peaks (8.49, 3.76, 61.13 ppm; 3.91 A): 6 out of 8 assignments used, quality = 0.80: * H PHE 40 + HA GLU 38 OK 50 100 - 50 - 1579=17, 158/3.6=13...(9) H GLU 28 + HA GLU 38 OK 21 97 - 21 - 4.6/6722=4, 1448/3.6=3...(6) H LEU 77 + HA GLU 38 OK 19 81 - 24 - 1653=4, 1448/3.6=3...(7) H LYS 31 + HA GLU 38 OK 17 99 - 18 - 3.9/2372=4, 3.9/2701=3...(5) H SER 13 + HA GLU 38 OK 16 96 - 17 - 4.6/24=5, 800=4...(4) H TYR 102 + HA GLU 38 OK 12 97 - 13 - 4.6/6721=3, 499/6721=1...(5) H LEU 84 - HA GLU 38 lone 8 99 - 8 - 1448/3.6=1, 1689/1586=1 H GLY 2 - HA GLU 38 lone 1 100 - 1 - Peak 6004 from cnoeabs.peaks (8.54, 3.76, 61.13 ppm; 3.62 A): 5 out of 5 assignments used, quality = 0.94: H GLU 38 + HA GLU 38 OK 81 81 - 100 - 3.0=100 * H LEU 41 + HA GLU 38 OK 51 100 - 51 - 1586=13, 4.6/6009=9...(12) H GLU 94 + HA GLU 38 OK 20 100 - 20 - 4.0/6005=3, 1240/3.0=2...(7) H ARG 53 + HA GLU 38 OK 15 100 - 15 - 4.7/1018=2, 1622/3.6=2 H GLY 86 + HA GLU 38 OK 12 87 - 14 - 5.0/6007=2, 1696/3.0=2...(7) Peak 6005 from cnoeabs.peaks (1.98, 3.76, 61.13 ppm; 3.63 A): 5 out of 14 assignments used, quality = 0.75: * HB2 LEU 41 + HA GLU 38 OK 52 100 - 52 - 1.8/6007=11, 4.2/6009=10...(16) HB2 GLU 94 + HA GLU 38 OK 19 92 - 21 - 4.0/6004=2, 4518/3.0=2...(9) HG2 PRO 60 + HA GLU 38 OK 16 97 - 17 - 1.8/2702=2, 2.3/6710=2...(5) HB2 LEU 55 + HA GLU 38 OK 13 87 - 16 - 4.0/244=3, 3.0/6706=2...(7) HB3 GLU 94 + HA GLU 38 OK 11 60 - 18 - 4.0/6004=2, 3.0/2704=2...(5) HG LEU 114 - HA GLU 38 lone 7 100 - 7 - HG LEU 45 - HA GLU 38 lone 6 97 - 7 - 3.0/6707=1 HB3 PRO 68 - HA GLU 38 lone 6 100 - 6 - HG2 PRO 68 - HA GLU 38 lone 5 100 - 5 - HB2 LYS 46 - HA GLU 38 lone 5 92 - 5 - HB ILE 124 - HA GLU 38 lone 5 100 - 5 - HB2 ARG 71 - HA GLU 38 lone 3 98 - 3 - HB3 GLN 103 - HA GLU 38 lone 2 100 - 2 - HB2 MET 11 - HA GLU 38 lone 2 100 - 2 - Peak 6006 from cnoeabs.peaks (3.76, 1.98, 41.64 ppm; 4.63 A): 9 out of 22 assignments used, quality = 0.95: * HA GLU 38 + HB2 LEU 41 OK 72 100 - 72 - 6005=17, 6009/4.2=16...(19) HA CYS 87 + HB2 LEU 55 OK 28 64 - 44 - 7533/3.1=9, 7534/3.1=8...(12) HD2 PRO 30 + HB2 LEU 41 OK 21 99 - 21 - 1593/4.2=5, 6008/1.8=5...(6) HA LEU 54 + HB2 LEU 55 OK 20 59 - 34 - 6071/4.2=14, 3.6/1026=12...(6) HA CYS 87 + HB2 LEU 41 OK 20 100 - 20 - 6008/1.8=4, 1586/4.1=3...(6) HA GLU 38 + HB2 LEU 55 OK 16 64 - 24 - 6005=4, 244/4.0=4...(7) HA LEU 54 + HB2 LEU 41 OK 15 97 - 16 - 1586/4.1=3, 6008/1.8=3...(6) HB3 SER 13 + HB2 LEU 41 OK 15 99 - 15 - 6008/1.8=3, 6289/3.1=3...(6) HA GLU 73 + HB2 LEU 41 OK 14 92 - 15 - 6008/1.8=3, 1586/4.1=2...(6) HB3 SER 35 - HB2 LEU 41 lone 7 100 - 7 - 6008/1.8=2, 1586/4.1=1 HB3 SER 13 - HB2 LEU 55 lone 6 63 - 9 - 6289/3.1=1, 244/4.0=1 HB3 SER 74 - HB2 LEU 41 lone 5 76 - 7 - 7296/4.2=1, 6008/1.8=1 HD2 PRO 30 - HB2 LEU 55 lone 5 61 - 9 - 7972/8168=1, 7083/3.1=1 HB2 SER 74 - HB2 LEU 41 lone 5 73 - 7 - 7296/4.2=1, 6008/1.8=1 HB3 SER 90 - HB2 LEU 55 lone 4 38 - 10 - 7579/3.1=3, ~7575=2 HA GLU 73 - HB2 LEU 55 lone 4 54 - 7 - 244/4.0=2 HB2 SER 72 - HB2 LEU 41 lone 3 87 - 4 - HB3 SER 74 - HB2 LEU 55 lone 3 42 - 7 - ~6089=3, ~6090=1 HB3 SER 90 - HB2 LEU 41 lone 3 71 - 4 - HB2 SER 74 - HB2 LEU 55 lone 3 40 - 7 - ~6089=3, ~6090=1 HB3 SER 35 - HB2 LEU 55 lone 2 64 - 4 - HB2 SER 72 - HB2 LEU 55 lone 1 50 - 2 - Peak 6007 from cnoeabs.peaks (1.66, 3.76, 61.13 ppm; 4.15 A): 6 out of 8 assignments used, quality = 0.89: * HB3 LEU 41 + HA GLU 38 OK 64 100 - 64 - 1.8/6005=15, 6008=13...(18) HG LEU 27 + HA GLU 38 OK 26 100 - 26 - 2.1/6708=4, 2.1/6708=4...(7) HB3 GLN 42 + HA GLU 38 OK 25 83 - 30 - 4.0/6009=14, 1.8/6708=5...(5) HG3 ARG 85 + HA GLU 38 OK 22 97 - 23 - 3.0/2701=3, 3.0/2701=3...(6) HG3 GLN 42 + HA GLU 38 OK 16 60 - 27 - 5.2/6009=11, 3.5/6722=4...(6) HB ILE 34 + HA GLU 38 OK 13 98 - 13 - ~6620=4, ~6636=2, 3.2/6644=1 HB3 LYS 32 - HA GLU 38 lone 8 89 - 9 - 5528/3.6=2, 4.7/5548=1 HG LEU 51 - HA GLU 38 lone 5 78 - 6 - 7500/6721=1 Peak 6008 from cnoeabs.peaks (3.76, 1.66, 41.64 ppm; 4.78 A): 6 out of 11 assignments used, quality = 0.90: * HA GLU 38 + HB3 LEU 41 OK 74 100 - 74 - 6007=18, 6009/4.2=17...(19) HD2 PRO 30 + HB3 LEU 41 OK 22 99 - 22 - 1593/4.2=6, 1586/4.1=4...(7) HA CYS 87 + HB3 LEU 41 OK 18 100 - 18 - 1586/4.1=4, 6006/1.8=3...(6) HB3 SER 13 + HB3 LEU 41 OK 15 99 - 15 - 6289/3.1=3, 1586/4.1=2...(6) HA GLU 73 + HB3 LEU 41 OK 14 92 - 15 - 6006/1.8=2, 1586/4.1=2...(6) HA LEU 54 + HB3 LEU 41 OK 14 97 - 14 - 1586/4.1=4, 6006/1.8=2...(5) HB3 SER 35 - HB3 LEU 41 lone 7 100 - 7 - 6006/1.8=1, 1586/4.1=1...(4) HB3 SER 74 - HB3 LEU 41 lone 5 76 - 7 - 7296/4.2=1 HB2 SER 74 - HB3 LEU 41 lone 5 73 - 6 - 7296/4.2=1 HB2 SER 72 - HB3 LEU 41 lone 3 87 - 3 - HB3 SER 90 - HB3 LEU 41 lone 2 71 - 3 - Peak 6009 from cnoeabs.peaks (8.05, 3.76, 61.13 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.77: * H GLN 42 + HA GLU 38 OK 65 100 - 65 - 1593=19, 4.2/6005=11...(15) H SER 112 + HA GLU 38 OK 20 85 - 23 - 4.9/6709=5, 4767/6721=3...(9) H SER 78 + HA GLU 38 OK 18 85 - 21 - 366/3.0=5, 4.5/1653=4...(6) Peak 6010 from cnoeabs.peaks (8.54, 3.60, 47.07 ppm; 5.24 A): 4 out of 5 assignments used, quality = 0.88: * H LEU 41 + HA2 GLY 39 OK 76 100 - 76 - 1449/3.6=25, 1583=22...(10) H GLU 38 + HA2 GLY 39 OK 33 81 - 41 - 1447/2.9=19, ~153=13...(4) H ARG 53 + HA2 GLY 39 OK 19 100 - 19 - 1622/2.9=5, 1449/3.6=4...(5) H GLY 86 + HA2 GLY 39 OK 11 87 - 12 - 1696/3.6=5, 5.0/6014=1 H GLU 94 - HA2 GLY 39 lone 9 100 - 9 - 1449/3.6=3, 152/2.9=2 Peak 6011 from cnoeabs.peaks (8.05, 3.60, 47.07 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.81: * H GLN 42 + HA2 GLY 39 OK 66 100 - 67 - 1591=18, 1582/3.6=17...(10) H SER 78 + HA2 GLY 39 OK 31 85 - 36 - 1582/3.6=9, 1657=8...(11) H SER 112 + HA2 GLY 39 OK 17 85 - 20 - 1582/3.6=5, 566=3...(7) Peak 6012 from cnoeabs.peaks (0.92, 3.60, 47.07 ppm; 4.99 A): 9 out of 12 assignments used, quality = 0.94: * HB2 GLN 42 + HA2 GLY 39 OK 56 100 - 56 - 4.0/6011=18, 4.6/6016=17...(6) QD1 LEU 41 + HA2 GLY 39 OK 40 92 - 43 - 4.9/6011=15, 4.3/6010=13...(9) QD2 LEU 41 + HA2 GLY 39 OK 27 63 - 43 - 4.9/6011=15, 4.3/6010=13...(10) QG2 VAL 49 + HA2 GLY 39 OK 23 100 - 23 - ~8406=5, 2.1/8495=4...(6) QD2 LEU 27 + HA2 GLY 39 OK 22 99 - 22 - 5504/3.6=5, 2.1/6014=3...(7) QD1 LEU 27 + HA2 GLY 39 OK 20 98 - 21 - 5503/3.6=4, 2.1/6014=3...(8) QG2 ILE 22 + HA2 GLY 39 OK 16 99 - 16 - 6428/2.9=4, ~5995=2, 6435/1.8=2 QG2 VAL 115 + HA2 GLY 39 OK 14 99 - 14 - 6730/2.9=1, 4.0/1771=1...(5) QD1 LEU 55 + HA2 GLY 39 OK 13 87 - 15 - ~3254=2, 3247/2.9=2...(6) QD1 ILE 63 - HA2 GLY 39 poor 10 73 - 13 - 7127/2.9=5 QD1 LEU 117 - HA2 GLY 39 lone 9 99 - 9 - 6730/2.9=1 QD1 LEU 126 - HA2 GLY 39 lone 3 98 - 3 - Peak 6013 from cnoeabs.peaks (3.60, 0.92, 27.10 ppm; 4.70 A): 6 out of 6 assignments used, quality = 0.86: * HA2 GLY 39 + HB2 GLN 42 OK 49 100 - 49 - 6011/4.0=17, 6016/4.6=15...(6) HA LEU 111 + HB2 GLN 42 OK 40 100 - 40 - 3.6/2827=9, 1591/4.0=8...(9) HA VAL 115 + HB2 GLN 42 OK 24 95 - 25 - 1598/4.6=4, 1591/4.0=3...(9) HD2 PRO 70 + HB2 GLN 42 OK 19 99 - 19 - 1591/4.0=3, 7262=3...(6) HA GLU 75 + HB2 GLN 42 OK 19 85 - 22 - 6093/4.0=4, 6015/1.8=3...(8) HA2 GLY 48 + HB2 GLN 42 OK 10 78 - 13 - ~6030=3, 1598/4.6=2...(6) Peak 6014 from cnoeabs.peaks (1.64, 3.60, 47.07 ppm; 4.87 A): 7 out of 15 assignments used, quality = 0.88: * HB3 GLN 42 + HA2 GLY 39 OK 55 100 - 55 - 4.0/6011=18, 4.6/6016=17...(8) HB3 LEU 41 + HA2 GLY 39 OK 40 83 - 48 - 4.2/6011=17, 4.1/6010=13...(12) HG LEU 27 + HA2 GLY 39 OK 17 90 - 19 - 5502/3.6=5, 2.1/6012=3...(6) HB ILE 34 + HA2 GLY 39 OK 17 97 - 17 - 6737/3.6=6, ~6621=6...(4) HB3 LYS 32 + HA2 GLY 39 OK 16 100 - 16 - 5528/2.9=3, ~5527=2...(7) HG LEU 101 + HA2 GLY 39 OK 12 89 - 13 - 5835/3.6=3, ~6734=2...(5) HG3 ARG 85 + HA2 GLY 39 OK 11 98 - 11 - 6737/3.6=2, 5.0/6010=2...(5) HG2 PRO 30 - HA2 GLY 39 poor 9 76 - 12 - 5515/3.6=3, ~153=2...(4) HG LEU 51 - HA2 GLY 39 lone 8 100 - 8 - 2.1/6935=3, 6737/3.6=1 HG2 ARG 53 - HA2 GLY 39 lone 5 68 - 8 - 5.0/6010=3, 5835/3.6=1 HD2 LYS 32 - HA2 GLY 39 lone 5 68 - 8 - ~5528=1, ~5527=1...(4) HD3 LYS 32 - HA2 GLY 39 lone 5 68 - 8 - ~5528=1, ~5527=1...(4) HD3 LYS 31 - HA2 GLY 39 lone 5 92 - 5 - HD2 LYS 31 - HA2 GLY 39 lone 5 92 - 5 - HB2 LEU 59 - HA2 GLY 39 lone 3 96 - 3 - Peak 6015 from cnoeabs.peaks (3.60, 1.64, 27.10 ppm; 4.80 A): 7 out of 18 assignments used, quality = 0.90: * HA2 GLY 39 + HB3 GLN 42 OK 54 100 - 55 - 6011/4.0=17, 6016/4.6=16...(8) HA LEU 111 + HB3 GLN 42 OK 36 100 - 36 - 6013/1.8=10, 1591/4.0=8...(8) HA VAL 115 + HG2 PRO 30 OK 21 39 - 54 - ~7972=10, 5100/2.3=8...(17) HA VAL 115 + HB3 GLN 42 OK 21 95 - 22 - 6013/1.8=6, 1598/4.6=4...(6) HD2 PRO 70 + HG LEU 101 OK 21 44 - 47 - 7716/2.1=7, 3791/3.0=6...(14) HA GLU 75 + HB3 GLN 42 OK 18 85 - 22 - 6013/1.8=5, 6093/4.0=4...(6) HD2 PRO 70 + HB3 GLN 42 OK 16 99 - 16 - 6013/1.8=5, 1591/4.0=3...(5) HA2 GLY 48 - HB3 GLN 42 poor 10 78 - 13 - ~6030=3, 6013/1.8=3...(5) HA GLU 75 - HG2 PRO 30 poor 10 33 - 29 - ~7304=5, ~6582=4...(10) HA2 GLY 48 - HG LEU 101 poor 6 30 - 20 - ~6879=9, ~7728=6, ~7725=5 HA GLU 75 - HG LEU 101 poor 5 33 - 16 - 3951/3.0=2, ~7315=2...(6) HA LEU 111 - HG LEU 101 poor 5 45 - 11 - ~8445=2, 7716/2.1=2, 6220/3.0=2 HA2 GLY 39 - HG LEU 101 poor 5 46 - 11 - 6014=3, ~6734=2...(4) HA2 GLY 39 - HG2 PRO 30 poor 5 45 - 11 - 6014=2, ~153=2, ~154=2 HD2 PRO 70 - HG2 PRO 30 lone 3 43 - 8 - ~8325=2, 3789/3.8=1 HA VAL 115 - HG LEU 101 lone 3 39 - 8 - 7716/2.1=2, ~7713=1 HA LEU 111 - HG2 PRO 30 lone 2 45 - 4 - HA2 GLY 48 - HG2 PRO 30 lone 1 30 - 3 - Peak 6016 from cnoeabs.peaks (7.50, 3.60, 47.07 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.66: * H ALA 43 + HA2 GLY 39 OK 58 100 - 59 - 1598=19, 1599/1.8=17...(7) H GLY 104 + HA2 GLY 39 OK 18 81 - 23 - 7780/3.6=6, 1507/2.9=5...(8) H LYS 109 - HA2 GLY 39 lone 6 85 - 7 - 1451/6011=2 Peak 6017 from cnoeabs.peaks (8.05, 4.34, 60.39 ppm; 5.54 A): 3 out of 3 assignments used, quality = 0.90: * H GLN 42 + HA PHE 40 OK 79 100 - 79 - 1450/3.6=29, 4.7/6018=25...(8) H SER 78 + HA PHE 40 OK 37 85 - 43 - 1582/3.0=13, 1450/3.6=8...(11) H SER 112 + HA PHE 40 OK 24 85 - 28 - 1450/3.6=9, 1582/3.0=7...(8) Peak 6018 from cnoeabs.peaks (7.50, 4.34, 60.39 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.65: * H ALA 43 + HA PHE 40 OK 59 100 - 59 - 1597=24, 2.9/6020=21...(6) H GLY 104 + HA PHE 40 OK 14 81 - 17 - 7780/3.0=4, 1588/3.6=4...(5) H LYS 109 - HA PHE 40 poor 9 85 - 11 - 1588/3.6=3, 7838/3.0=3 Peak 6019 from cnoeabs.peaks (1.34, 4.34, 60.39 ppm; 3.59 A): 2 out of 9 assignments used, quality = 0.67: * QB ALA 43 + HA PHE 40 OK 57 100 - 57 - 6020=29, 2.9/6018=17...(7) QG2 THR 17 + HA PHE 40 OK 22 100 - 22 - 1984=7, 4.4/44=4...(6) HB3 LEU 84 - HA PHE 40 poor 8 73 - 10 - 4.0/2735=3, 4246/3.0=1...(5) HG3 LYS 46 - HA PHE 40 lone 6 100 - 6 - 959/6018=2 HG2 LYS 46 - HA PHE 40 lone 6 100 - 6 - 959/6018=2 HB3 LEU 59 - HA PHE 40 lone 4 96 - 5 - 4.8/2738=2 HG3 LYS 119 - HA PHE 40 lone 2 93 - 2 - QG2 THR 23 - HA PHE 40 lone 1 89 - 2 - HG CYS 87 - HA PHE 40 lone 1 81 - 1 - Peak 6020 from cnoeabs.peaks (4.34, 1.34, 17.95 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.66: * HA PHE 40 + QB ALA 43 OK 55 100 - 55 - 6019=26, 6018/2.9=16...(7) HB THR 17 + QB ALA 43 OK 25 97 - 26 - 1981=8, 1597/2.9=5...(9) HA CYS 76 - QB ALA 43 lone 7 85 - 8 - 1604/3.6=2, 1597/2.9=2 HA ASP 100 - QB ALA 43 lone 6 95 - 6 - 1597/2.9=2, 4565/6813=1 HA MET 11 - QB ALA 43 lone 2 63 - 3 - Peak 6023 from cnoeabs.peaks (7.95, 3.64, 57.53 ppm; 4.42 A): 2 out of 6 assignments used, quality = 0.82: * H SER 44 + HA LEU 41 OK 76 100 - 76 - 1602/3.6=20, 1603=19...(15) H ASP 47 + HA LEU 41 OK 24 73 - 33 - 198=6, 4.4/2930=5...(10) H LEU 114 - HA LEU 41 poor 8 73 - 11 - 1764/3.6=2, 1356/3.0=2 H ALA 89 - HA LEU 41 lone 6 98 - 6 - 1764/3.6=1 H VAL 66 - HA LEU 41 lone 5 93 - 5 - 4.6/8259=1 H ARG 92 - HA LEU 41 lone 4 93 - 4 - Peak 6024 from cnoeabs.peaks (3.46, 3.64, 57.53 ppm; 4.16 A): 3 out of 4 assignments used, quality = 0.73: * HB2 SER 44 + HA LEU 41 OK 54 100 - 54 - 6025=20, 1.8/6027=17...(7) HA VAL 18 + HA LEU 41 OK 31 76 - 41 - 3.2/8391=19, ~8401=4...(8) HD3 PRO 70 + HA LEU 41 OK 15 100 - 15 - 7263/4.1=2, ~1583=2...(6) HD2 PRO 37 - HA LEU 41 poor 7 65 - 10 - ~5542=1, 5541/3.0=1...(4) Peak 6025 from cnoeabs.peaks (3.64, 3.46, 62.81 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.82: * HA LEU 41 + HB2 SER 44 OK 56 100 - 56 - 6024=25, 6026/1.8=15...(7) HA LYS 46 + HB2 SER 44 OK 42 99 - 43 - 1603/4.0=11, 1608/4.6=10...(8) HA VAL 115 + HB2 SER 44 OK 16 68 - 24 - 3.2/6829=4, 6835/3.0=4...(10) HA ILE 80 + HB2 SER 44 OK 15 99 - 15 - 6127/1.8=5, 1608/4.6=3...(4) Peak 6026 from cnoeabs.peaks (3.50, 3.64, 57.53 ppm; 4.00 A): 4 out of 5 assignments used, quality = 0.86: * HB3 SER 44 + HA LEU 41 OK 54 100 - 54 - 6027=20, 1.8/6025=15...(9) HA VAL 18 + HA LEU 41 OK 39 87 - 45 - 3.2/8391=18, 6753/4.1=12...(8) HB2 PHE 83 + HA LEU 41 OK 34 85 - 41 - 1.8/6130=9, 6128=9...(10) HA LEU 84 + HA LEU 41 OK 23 100 - 23 - 2.9/1688=6, ~1689=4...(5) HB2 PHE 96 - HA LEU 41 lone 2 87 - 3 - Peak 6027 from cnoeabs.peaks (3.64, 3.50, 62.81 ppm; 4.11 A): 4 out of 4 assignments used, quality = 0.81: * HA LEU 41 + HB3 SER 44 OK 56 100 - 56 - 6024/1.8=19, 6026=18...(9) HA LYS 46 + HB3 SER 44 OK 41 99 - 42 - 1603/4.0=10, 1608/4.6=9...(9) HA ILE 80 + HB3 SER 44 OK 15 99 - 15 - 6127=5, 1608/4.6=3...(4) HA VAL 115 + HB3 SER 44 OK 15 68 - 22 - 6835/3.0=3, 3.2/6831=3...(10) Peak 6030 from cnoeabs.peaks (7.78, 3.21, 60.03 ppm; 4.78 A): 3 out of 4 assignments used, quality = 0.76: * H LEU 45 + HA GLN 42 OK 64 100 - 64 - 1607=20, 1600/3.6=16...(10) H ILE 124 + HA GLN 42 OK 20 100 - 20 - 1600/3.6=6, 4.0/6787=2...(7) H GLY 48 + HA GLN 42 OK 17 89 - 20 - 1600/3.6=7, 6880/3.0=2...(7) HD21 ASN 106 - HA GLN 42 lone 4 73 - 5 - 1600/3.6=2 Peak 6031 from cnoeabs.peaks (1.75, 3.21, 60.03 ppm; 3.82 A): 2 out of 16 assignments used, quality = 0.99: HG2 GLN 42 + HA GLN 42 OK 99 99 - 99 - 3.9=97, 1.8/2824=25...(18) * HB2 LEU 45 + HA GLN 42 OK 53 100 - 53 - 6032=17, 4.0/6030=11...(15) HG3 ARG 71 - HA GLN 42 OK 44 100 - 44 - 3.0/3860=4, 3.0/3852=4...(21) HB3 LYS 46 - HA GLN 42 OK 44 100 - 44 - 2844=6, 2843/3.0=5...(15) HG2 ARG 71 - HA GLN 42 OK 42 97 - 44 - 3.0/3860=4, 3.0/3852=4...(21) HG3 PRO 30 - HA GLN 42 OK 32 97 - 33 - ~1593=3, 2831/3.0=3...(14) HB3 ARG 71 - HA GLN 42 OK 23 71 - 32 - 1.8/3852=6, 3860=5...(12) HG LEU 117 - HA GLN 42 OK 15 98 - 15 - 2831/3.0=2, 2.1/2821=1 HD2 LYS 109 - HA GLN 42 OK 14 98 - 14 - 179/3.6=2, 6.2/5567=2...(4) HD3 LYS 109 - HA GLN 42 OK 13 96 - 14 - 179/3.6=2, 6.2/5567=2...(4) HB2 GLU 75 - HA GLN 42 OK 11 78 - 14 - ~6093=2, 1.8/6033=2...(4) HB2 LEU 117 - HA GLN 42 OK 11 83 - 13 - 2831/3.0=1, 3.1/2821=1 HB2 ARG 53 - HA GLN 42 lone 9 96 - 10 - ~172=2, 953/3.0=1 HB VAL 66 - HA GLN 42 lone 7 99 - 7 - HB2 LYS 31 - HA GLN 42 lone 3 60 - 5 - HB2 LEU 91 - HA GLN 42 lone 3 85 - 4 - Peak 6032 from cnoeabs.peaks (3.21, 1.75, 43.18 ppm; 3.09 A): 4 out of 6 assignments used, quality = 0.61: * HA GLN 42 + HB2 LEU 45 OK 31 100 - 31 - 6030/4.0=6, 6786/3.1=6...(11) HD2 ARG 71 + HB2 LEU 45 OK 23 99 - 24 - 3883=4, 3880/3.0=3...(9) HB3 TRP 20 + HB2 LEU 45 OK 15 97 - 16 - 2039/3.0=4, 3.0/2885=2...(7) HD3 ARG 71 + HB2 LEU 45 OK 13 65 - 21 - 1.8/3883=3, 3891=2...(9) HB3 PHE 83 - HB2 LEU 45 lone 4 100 - 4 - 1607/4.0=1, 7473/3.1=1 HD2 ARG 81 - HB2 LEU 45 lone 3 96 - 3 - Peak 6033 from cnoeabs.peaks (1.45, 3.21, 60.03 ppm; 5.18 A): 3 out of 15 assignments used, quality = 0.93: * HB3 LEU 45 + HA GLN 42 OK 67 100 - 67 - 4.0/6030=19, 1.8/6032=17...(18) HD2 LYS 46 + HA GLN 42 OK 57 99 - 58 - 8624/5.5=22, 2.9/6785=7...(17) HB3 LEU 101 + HA GLN 42 OK 51 97 - 53 - 3.1/6787=15, 4.0/6771=9...(23) HB3 GLU 75 - HA GLN 42 OK 26 100 - 26 - ~6093=3, ~1591=3...(12) QB ALA 14 - HA GLN 42 OK 20 92 - 21 - 6316/6771=5, 6304/3.0=3...(7) HD3 LYS 65 - HA GLN 42 OK 18 99 - 18 - 2.9/6787=3, 2.9/6787=3...(4) HD2 LYS 65 - HA GLN 42 OK 18 99 - 18 - 2.9/6787=3, 2.9/6787=3...(4) HG LEU 24 - HA GLN 42 OK 13 100 - 13 - 2.1/6786=4 HG3 LYS 31 - HA GLN 42 lone 9 95 - 10 - 2.9/3860=1 HG2 LYS 119 - HA GLN 42 lone 9 97 - 9 - 1.8/6785=1 HG3 ARG 57 - HA GLN 42 lone 7 89 - 8 - QB ALA 98 - HA GLN 42 lone 6 65 - 10 - ~6203=2, 8361=1 QB ALA 89 - HA GLN 42 lone 6 97 - 6 - ~1764=1 HB2 LEU 93 - HA GLN 42 lone 6 92 - 6 - HB3 LEU 91 - HA GLN 42 lone 5 81 - 7 - Peak 6035 from cnoeabs.peaks (7.78, 3.92, 54.55 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.86: * H LEU 45 + HA ALA 43 OK 72 100 - 72 - 1453/3.6=24, 6815/2.1=20...(12) H ILE 124 + HA ALA 43 OK 32 100 - 32 - 6815/2.1=9, 1600/3.0=7...(8) H GLY 48 + HA ALA 43 OK 29 89 - 32 - 6815/2.1=8, 1600/3.0=7...(7) HD21 ASN 106 - HA ALA 43 lone 7 73 - 9 - 1600/3.0=2, 6815/2.1=2 Peak 6037 from cnoeabs.peaks (7.57, 3.26, 68.05 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.88: * H CYS 52 + HA VAL 49 OK 86 100 - 86 - 1616=50, 4.0/6041=26...(13) H CYS 76 + HA VAL 49 OK 13 99 - 13 - 3117/6041=2, 7197/7188=2...(6) H SER 113 - HA VAL 49 lone 9 99 - 9 - 7197/7188=2, 231/1621=1...(4) H ARG 57 - HA VAL 49 poor 8 78 - 11 - 231/1621=2, 3117/6041=2 HE3 TRP 20 - HA VAL 49 lone 5 78 - 6 - H LYS 119 - HA VAL 49 lone 4 71 - 6 - Peak 6038 from cnoeabs.peaks (2.45, 3.26, 68.05 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.94: * HB2 CYS 52 + HA VAL 49 OK 93 100 - 93 - 6039=44, 1.8/6041=40...(17) HB3 CYS 87 + HA VAL 49 OK 12 90 - 13 - 7182/7185=2, 233/1621=2...(6) HG3 MET 11 - HA VAL 49 lone 5 85 - 6 - 3119/6041=1 Peak 6039 from cnoeabs.peaks (3.26, 2.45, 27.40 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.94: * HA VAL 49 + HB2 CYS 52 OK 94 100 - 94 - 6041/1.8=43, 6038=42...(17) Peak 6040 from cnoeabs.peaks (3.12, 3.26, 68.05 ppm; 4.33 A): 3 out of 7 assignments used, quality = 0.95: * HB3 CYS 52 + HA VAL 49 OK 88 100 - 88 - 6041=39, 1.8/6039=31...(17) HD3 ARG 53 + HA VAL 49 OK 39 81 - 49 - 6.3/1621=12, 6902/3.2=11...(12) HB2 PHE 107 + HA VAL 49 OK 29 100 - 29 - 1.8/6897=5, 5859/3.6=4...(11) HB3 CYS 76 - HA VAL 49 OK 10 100 - 10 - 4.0/6037=2, 3986/1616=2 HD3 ARG 57 - HA VAL 49 poor 10 99 - 10 - 1008/1616=2, 3116/6039=1...(4) HD3 ARG 81 - HA VAL 49 lone 7 93 - 7 - HB3 ASP 100 - HA VAL 49 lone 5 100 - 5 - Peak 6041 from cnoeabs.peaks (3.26, 3.12, 27.40 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.89: * HA VAL 49 + HB3 CYS 52 OK 89 100 - 89 - 6039/1.8=37, 1616/4.0=31...(17) Peak 6042 from cnoeabs.peaks (8.54, 3.26, 68.05 ppm; 5.10 A): 2 out of 5 assignments used, quality = 0.94: * H ARG 53 + HA VAL 49 OK 90 100 - 90 - 1621=50, 4.6/1616=31...(12) H LEU 41 + HA VAL 49 OK 34 100 - 34 - 8407/3.2=10, 4.3/3030=4...(10) H GLY 86 - HA VAL 49 OK 18 90 - 20 - 8407/3.2=4, ~8279=2...(9) H GLU 38 - HA VAL 49 OK 15 76 - 20 - 4.6/6911=4, 3.9/3033=4...(5) H GLU 94 - HA VAL 49 OK 15 100 - 15 - 8407/3.2=3, 1461/1616=2...(5) Peak 6044 from cnoeabs.peaks (8.54, 3.39, 66.83 ppm; 4.45 A): 4 out of 5 assignments used, quality = 0.90: * H ARG 53 + HA VAL 50 OK 78 100 - 78 - 1620=25, 4.0/6047=14...(17) H GLY 86 + HA VAL 50 OK 28 90 - 31 - 1613/3.6=5, 1199=4...(11) H LEU 41 + HA VAL 50 OK 21 100 - 21 - 1613/3.6=4, 6919/3.2=3...(10) H GLU 94 + HA VAL 50 OK 17 100 - 17 - 1613/3.6=5, 6919/3.2=2...(4) H GLU 38 - HA VAL 50 poor 8 76 - 10 - 6919/3.2=2, 3.9/8225=2 Peak 6045 from cnoeabs.peaks (1.74, 3.39, 66.83 ppm; 4.45 A): 5 out of 15 assignments used, quality = 0.95: * HB2 ARG 53 + HA VAL 50 OK 76 100 - 76 - 6046=24, 1.8/6047=22...(14) HB2 LEU 45 + HA VAL 50 OK 46 96 - 49 - 3.1/3050=9, 2889/3.2=7...(17) HG LEU 117 + HA VAL 50 OK 34 81 - 43 - 2.1/3051=8, 2.1/6913=5...(16) HB3 LEU 55 + HA VAL 50 OK 31 73 - 42 - 3.1/7015=10, 1.8/6047=9...(14) HB2 LYS 31 + HA VAL 50 OK 10 89 - 12 - 1.8/3049=2 HB2 LEU 91 - HA VAL 50 lone 9 99 - 9 - 8363/3.2=1, ~8365=1 HB3 LYS 46 - HA VAL 50 lone 6 97 - 6 - 1.8/6047=1 HB VAL 66 - HA VAL 50 lone 6 99 - 6 - 1011/1620=1 HG2 ARG 71 - HA VAL 50 lone 6 100 - 6 - HG3 ARG 71 - HA VAL 50 lone 5 92 - 5 - HB3 ARG 71 - HA VAL 50 lone 4 95 - 5 - HG3 PRO 30 - HA VAL 50 lone 4 78 - 5 - HG2 GLN 42 - HA VAL 50 lone 4 87 - 4 - HD2 LYS 109 - HA VAL 50 lone 3 81 - 3 - HD3 LYS 109 - HA VAL 50 lone 2 73 - 3 - Peak 6046 from cnoeabs.peaks (3.39, 1.74, 29.79 ppm; 4.39 A): 3 out of 3 assignments used, quality = 0.90: * HA VAL 50 + HB2 ARG 53 OK 72 100 - 72 - 6047/1.8=21, 6045=15...(13) HA LEU 21 + HB2 ARG 53 OK 46 99 - 47 - 6048/1.8=10, 1620/4.0=7...(11) HA2 GLY 86 + HB2 ARG 53 OK 34 85 - 40 - 6048/1.8=8, 1620/4.0=6...(14) Peak 6047 from cnoeabs.peaks (2.02, 3.39, 66.83 ppm; 4.13 A): 2 out of 9 assignments used, quality = 0.78: * HB3 ARG 53 + HA VAL 50 OK 69 100 - 69 - 6048=19, 1.8/6046=16...(13) HB2 LEU 55 + HA VAL 50 OK 29 78 - 37 - 3.1/7015=8, 1.8/6045=4...(14) HG3 PRO 37 - HA VAL 50 poor 8 60 - 13 - 1.8/6915=3, 2.3/8225=2...(5) HB2 GLU 56 - HA VAL 50 lone 7 85 - 9 - 6048=2, 238/6049=1 HB2 GLU 94 - HA VAL 50 poor 7 71 - 10 - 4.0/6044=3, 4.7/5601=2...(4) HG3 PRO 70 - HA VAL 50 lone 5 83 - 6 - 7264/8279=2 HB2 LYS 46 - HA VAL 50 lone 4 71 - 5 - HG3 PRO 60 - HA VAL 50 lone 3 71 - 4 - HG2 PRO 60 - HA VAL 50 lone 2 57 - 4 - Peak 6048 from cnoeabs.peaks (3.39, 2.02, 29.79 ppm; 4.28 A): 3 out of 9 assignments used, quality = 0.90: * HA VAL 50 + HB3 ARG 53 OK 73 100 - 73 - 6047=26, 6046/1.8=18...(12) HA LEU 21 + HB3 ARG 53 OK 45 99 - 45 - 6046/1.8=11, 1620/4.0=7...(8) HA2 GLY 86 + HB3 ARG 53 OK 34 85 - 40 - 6046/1.8=8, 1620/4.0=6...(13) HA VAL 50 - HB2 GLU 56 lone 6 65 - 10 - 6047=3, 6049/238=1 HA VAL 50 - HB2 GLU 94 poor 6 56 - 11 - 6044/4.0=3, 6047=3, 5601/4.7=2 HA2 GLY 86 - HB2 GLU 94 lone 4 41 - 9 - 4330/4.0=1, ~421=1, ~420=1 HA LEU 21 - HB2 GLU 56 lone 3 62 - 5 - HA2 GLY 86 - HB2 GLU 56 lone 2 48 - 5 - 7509/7113=1 HA LEU 21 - HB2 GLU 94 lone 1 53 - 3 - Peak 6049 from cnoeabs.peaks (8.94, 3.39, 66.83 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.88: * H LEU 54 + HA VAL 50 OK 80 100 - 80 - 1626=25, 8237/3.2=20...(16) H PHE 107 + HA VAL 50 OK 40 96 - 42 - 8237/3.2=9, 1510/3.0=7...(14) Peak 6050 from cnoeabs.peaks (8.54, 3.56, 57.49 ppm; 5.55 A): 4 out of 5 assignments used, quality = 0.86: * H ARG 53 + HA LEU 51 OK 68 100 - 68 - 1461/3.6=27, 4.7/6051=26...(11) H GLY 86 + HA LEU 51 OK 27 90 - 29 - 1613/2.9=8, 1461/3.6=5...(10) H GLU 94 + HA LEU 51 OK 23 100 - 23 - 1613/2.9=8, 1461/3.6=5...(6) H LEU 41 + HA LEU 51 OK 23 100 - 23 - 1461/3.6=7, 1613/2.9=6...(6) H GLU 38 - HA LEU 51 poor 9 76 - 12 - 4.6/6056=2, 1461/3.6=2...(5) Peak 6051 from cnoeabs.peaks (8.94, 3.56, 57.49 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.84: * H LEU 54 + HA LEU 51 OK 80 100 - 80 - 1625=23, 1617/3.6=19...(15) H PHE 107 + HA LEU 51 OK 22 96 - 23 - 1617/3.6=9, 3205/8424=3...(8) Peak 6052 from cnoeabs.peaks (2.33, 3.56, 57.49 ppm; 4.37 A): 6 out of 9 assignments used, quality = 0.93: * HB2 LEU 54 + HA LEU 51 OK 78 100 - 78 - 3.1/8424=24, 1.8/6054=22...(9) HB3 PRO 60 + HA LEU 51 OK 35 97 - 36 - 3464=7, 2.3/3471=4...(13) HB3 ASN 118 + HA LEU 51 OK 26 78 - 34 - 5185=6, 1.8/5179=6...(12) HG3 GLU 56 + HA LEU 51 OK 12 92 - 13 - 8303/2.9=2, 5637/3.6=2...(4) HB2 GLU 82 + HA LEU 51 OK 11 98 - 12 - 3.7/3067=2, 6934/4.0=2, ~4160=1 HB3 GLU 82 + HA LEU 51 OK 11 98 - 12 - 3.7/3067=2, 6934/4.0=2, ~4160=1 HG2 PRO 70 - HA LEU 51 lone 6 87 - 7 - HG2 GLN 16 - HA LEU 51 lone 3 68 - 4 - HB VAL 18 - HA LEU 51 lone 1 65 - 2 - Peak 6053 from cnoeabs.peaks (3.56, 2.33, 42.10 ppm; 4.55 A): 3 out of 6 assignments used, quality = 0.96: * HA LEU 51 + HB2 LEU 54 OK 82 100 - 82 - 8424/3.1=26, 6054/1.8=23...(10) HD2 PRO 60 + HB2 LEU 54 OK 61 97 - 63 - 6055/1.8=10, 3433=9...(22) HA ASN 118 + HB2 LEU 54 OK 44 97 - 46 - 6055/1.8=7, 6997/3.1=7...(16) HA GLU 75 - HB2 LEU 54 OK 20 71 - 29 - 3.6/3190=4, 3953/3.1=4...(12) HA2 GLY 48 - HB2 LEU 54 poor 10 78 - 13 - 6055/1.8=2, 1625/4.0=2...(5) HB2 ASP 47 - HB2 LEU 54 poor 9 85 - 10 - 6871=3, 6997/3.1=1...(5) Peak 6054 from cnoeabs.peaks (1.15, 3.56, 57.49 ppm; 4.29 A): 3 out of 3 assignments used, quality = 0.89: * HB3 LEU 54 + HA LEU 51 OK 77 100 - 77 - 3.1/8424=24, 4.0/6051=18...(10) QG2 VAL 50 + HA LEU 51 OK 42 81 - 52 - 2.1/8426=13, ~222=11...(10) QD2 LEU 117 + HA LEU 51 OK 21 81 - 26 - 8013/8424=6, 6931/4.0=4...(9) Peak 6055 from cnoeabs.peaks (3.56, 1.15, 42.10 ppm; 4.61 A): 3 out of 6 assignments used, quality = 0.96: * HA LEU 51 + HB3 LEU 54 OK 84 100 - 84 - 6054=28, 8424/3.1=27...(12) HD2 PRO 60 + HB3 LEU 54 OK 58 97 - 59 - 6053/1.8=11, 3.0/3193=8...(22) HA ASN 118 + HB3 LEU 54 OK 42 97 - 44 - 6053/1.8=8, 6997/3.1=7...(15) HA GLU 75 - HB3 LEU 54 OK 21 71 - 30 - 3.6/3197=5, 3953/3.1=4...(12) HA2 GLY 48 - HB3 LEU 54 OK 13 78 - 16 - 3.6/6896=4, 6053/1.8=2...(6) HB2 ASP 47 - HB3 LEU 54 lone 8 85 - 9 - 6871/1.8=2, 6997/3.1=1...(4) Peak 6056 from cnoeabs.peaks (8.12, 3.56, 57.49 ppm; 5.21 A): 2 out of 4 assignments used, quality = 0.77: * H LEU 55 + HA LEU 51 OK 73 100 - 73 - 4.6/6051=23, 1631=22...(13) HD22 ASN 79 + HA LEU 51 OK 15 93 - 16 - 1463/6051=3, 5625/8424=2...(6) H THR 33 - HA LEU 51 poor 9 83 - 11 - 5625/8424=2, 1463/6051=2...(4) H GLY 39 - HA LEU 51 poor 8 71 - 11 - 5625/8424=2, 4.6/6050=2 Peak 6058 from cnoeabs.peaks (8.12, 4.22, 65.82 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.75: * H LEU 55 + HA CYS 52 OK 58 100 - 58 - 1622/3.6=15, 1630=13...(12) HD22 ASN 79 + HA CYS 52 OK 33 93 - 36 - 1622/3.6=7, 7388=6...(12) H GLY 39 + HA CYS 52 OK 10 71 - 15 - 1622/3.6=4, 7388=1...(4) H THR 33 - HA CYS 52 lone 7 83 - 9 - 1622/3.6=3 Peak 6059 from cnoeabs.peaks (2.00, 4.22, 65.82 ppm; 4.56 A): 4 out of 14 assignments used, quality = 0.80: HB3 ARG 53 + HA CYS 52 OK 48 78 - 62 - 1012/3.6=13, 1.8/6061=12...(18) * HB2 LEU 55 + HA CYS 52 OK 41 100 - 41 - 4.0/6058=12, 1.8/6061=11...(11) HB2 LEU 41 + HA CYS 52 OK 23 87 - 26 - 4.1/5611=5, 2784/3.6=3...(10) HB2 MET 11 + HA CYS 52 OK 15 92 - 16 - 1849/3.0=4, ~1855=4...(7) HB2 GLU 94 - HA CYS 52 lone 9 100 - 9 - 4.0/5611=4, 4518/3.6=3 HG2 PRO 60 - HA CYS 52 lone 9 99 - 9 - ~225=2, 1012/3.6=1 HB2 LYS 46 - HA CYS 52 lone 5 100 - 5 - HG LEU 114 - HA CYS 52 lone 5 81 - 6 - ~7957=2 HB3 PRO 68 - HA CYS 52 lone 5 87 - 5 - 7229/3671=2 HG2 PRO 68 - HA CYS 52 lone 4 81 - 4 - 7180/3671=1 HB ILE 124 - HA CYS 52 lone 3 87 - 4 - HB2 ARG 71 - HA CYS 52 lone 3 65 - 4 - 1.8/6061=1 HG LEU 45 - HA CYS 52 lone 2 60 - 4 - ~230=2 HB3 GLN 103 - HA CYS 52 lone 2 87 - 2 - Peak 6060 from cnoeabs.peaks (4.22, 2.00, 41.36 ppm; 4.87 A): 6 out of 22 assignments used, quality = 0.93: HA ILE 22 + HB2 LEU 55 OK 57 99 - 57 - 2145/3.1=8, 6062/1.8=7...(24) * HA CYS 52 + HB2 LEU 55 OK 48 100 - 48 - 6058/4.0=14, 6061/1.8=12...(11) HA VAL 66 + HB2 LEU 55 OK 26 99 - 27 - 1630/4.0=5, 3.2/7180=4...(10) HA LEU 126 + HB2 LEU 55 OK 25 95 - 26 - 2.9/8128=6, 6062/1.8=3...(10) HA THR 17 + HB2 LEU 41 OK 24 56 - 43 - ~6756=9, 3.2/6338=7...(12) HA VAL 26 + HB2 LEU 55 OK 23 100 - 23 - 1630/4.0=6, 8691/1.8=3...(6) HA CYS 52 - HB2 LEU 41 OK 19 64 - 30 - 6059=7, 5611/4.1=5...(10) HA ILE 22 - HB2 LEU 41 OK 17 63 - 27 - 2144/3.0=4, 2143/3.1=2...(11) HB THR 19 - HB2 LEU 55 OK 13 65 - 20 - ~6375=3, ~6378=3...(8) HA VAL 26 - HB2 LEU 41 OK 13 64 - 20 - ~6750=3, 3.6/6759=3...(7) HA THR 17 - HB2 LEU 55 OK 12 95 - 13 - 3.2/6338=2, 6062/1.8=1...(5) HA SER 13 - HB2 LEU 55 OK 10 99 - 11 - 1630/4.0=2, 8691/1.8=1 HA ALA 89 - HB2 LEU 55 lone 7 81 - 9 - ~7565=2, 6062/1.8=1 HA LEU 126 - HB2 LEU 41 poor 7 56 - 12 - 2.9/8128=3, 5388/3.1=1...(4) HA VAL 66 - HB2 LEU 41 poor 7 62 - 11 - 3.2/7180=2 HA SER 13 - HB2 LEU 41 lone 6 63 - 10 - ~6008=2, ~6289=1, 6287/3.1=1 HA3 GLY 48 - HB2 LEU 55 lone 3 68 - 5 - HA3 GLY 48 - HB2 LEU 41 lone 3 37 - 8 - 8423/3.0=2, 6892/3.1=1...(4) HA ALA 89 - HB2 LEU 41 lone 3 45 - 6 - ~8412=1 HA3 GLY 61 - HB2 LEU 55 lone 1 63 - 2 - HB THR 19 - HB2 LEU 41 lone 1 35 - 4 - HA3 GLY 61 - HB2 LEU 41 lone 0 33 - 1 - Peak 6061 from cnoeabs.peaks (1.72, 4.22, 65.82 ppm; 5.09 A): 3 out of 7 assignments used, quality = 0.77: HB2 ARG 53 + HA CYS 52 OK 52 73 - 70 - 3129/3.6=14, 1.8/6059=13...(21) * HB3 LEU 55 + HA CYS 52 OK 45 100 - 45 - 4.0/6058=15, 1.8/6059=11...(11) HB2 LEU 91 + HA CYS 52 OK 14 89 - 16 - 7581/6943=2, 3.1/6948=2...(5) HB3 LEU 77 - HA CYS 52 lone 9 99 - 9 - ~6953=2, 6062=1, 3233/6058=1 HB2 LYS 31 - HA CYS 52 lone 8 99 - 8 - 1027/6058=1, 1011/3.6=1 HB3 ARG 71 - HA CYS 52 lone 6 97 - 6 - 1011/3.6=1 HG2 ARG 71 - HA CYS 52 lone 4 68 - 6 - 1011/3.6=2 Peak 6062 from cnoeabs.peaks (4.22, 1.72, 41.36 ppm; 5.08 A): 5 out of 22 assignments used, quality = 0.92: HA ILE 22 + HB3 LEU 55 OK 59 99 - 59 - 2145/3.1=8, 6060/1.8=7...(25) * HA CYS 52 + HB3 LEU 55 OK 50 100 - 51 - 6061=16, 6058/4.0=15...(11) HA VAL 66 + HB3 LEU 55 OK 28 99 - 28 - 1630/4.0=5, 6060/1.8=3...(11) HA VAL 26 + HB3 LEU 55 OK 26 100 - 26 - 1630/4.0=7, 8691=4...(9) HA LEU 126 + HB3 LEU 55 OK 25 95 - 26 - ~8128=5, 6060/1.8=3...(10) HA VAL 66 - HB3 LEU 77 OK 22 91 - 24 - 3663/3.1=4, 3.2/4010=3...(9) HA ILE 22 - HB3 LEU 77 OK 15 92 - 17 - 5995/4.3=2, ~5982=2...(7) HB THR 19 - HB3 LEU 55 OK 14 65 - 21 - ~6375=4, ~6378=3...(8) HA VAL 26 - HB3 LEU 77 OK 13 94 - 14 - ~8216=2, ~6494=2, 8691=2 HB THR 19 - HB3 LEU 77 OK 12 56 - 22 - 3.0/4005=2, ~3998=2...(12) HA SER 13 - HB3 LEU 55 OK 12 99 - 12 - 1630/4.0=2, 8691=2, 6060/1.8=1 HA THR 17 - HB3 LEU 55 OK 12 95 - 13 - 6060/1.8=2, ~6338=2...(4) HA CYS 52 - HB3 LEU 77 poor 10 94 - 10 - 6061=3, ~6953=2, 6058/3233=1 HA ALA 89 - HB3 LEU 55 poor 10 81 - 12 - 3.6/7570=3, ~7565=2...(4) HA SER 13 - HB3 LEU 77 poor 9 92 - 10 - 8691=1, ~4018=1, ~3997=1...(5) HA ALA 89 - HB3 LEU 77 lone 5 71 - 7 - ~7667=1, ~7343=1 HA THR 17 - HB3 LEU 77 lone 3 85 - 4 - HA3 GLY 48 - HB3 LEU 55 lone 3 68 - 4 - 1630/4.0=1 HA3 GLY 48 - HB3 LEU 77 lone 2 59 - 4 - ~6893=2 HA LEU 126 - HB3 LEU 77 lone 2 85 - 2 - HA3 GLY 61 - HB3 LEU 55 lone 2 63 - 2 - HA3 GLY 61 - HB3 LEU 77 lone 1 54 - 1 - Peak 6063 from cnoeabs.peaks (7.57, 4.22, 65.82 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * H CYS 52 + HA CYS 52 OK 100 100 - 100 - 3.0=100 H ARG 57 - HA CYS 52 OK 18 78 - 24 - 231/3.6=5, 3117/3.0=3...(8) H CYS 76 - HA CYS 52 OK 18 99 - 18 - 3117/3.0=4, 3113/3.0=4...(6) H SER 113 - HA CYS 52 OK 12 99 - 12 - 231/3.6=3, 3117/3.0=2 HE3 TRP 20 - HA CYS 52 poor 10 78 - 13 - 4637=2, 4.2/5970=2...(5) H LYS 119 - HA CYS 52 lone 6 71 - 9 - 231/3.6=1 Peak 6064 from cnoeabs.peaks (8.12, 3.89, 59.20 ppm; 5.58 A): 4 out of 4 assignments used, quality = 0.91: * H LEU 55 + HA ARG 53 OK 80 100 - 80 - 243/3.6=36, 4.6/6065=24...(14) HD22 ASN 79 + HA ARG 53 OK 35 93 - 38 - 1622/3.0=9, 1463/3.6=8...(11) H GLY 39 + HA ARG 53 OK 19 71 - 27 - 1622/3.0=5, 1463/3.6=5...(9) H THR 33 + HA ARG 53 OK 18 83 - 21 - 1463/3.6=5, 1622/3.0=4...(5) Peak 6065 from cnoeabs.peaks (7.62, 3.89, 59.20 ppm; 4.11 A): 2 out of 5 assignments used, quality = 0.73: * H GLU 56 + HA ARG 53 OK 64 100 - 64 - 1634/3.6=15, 1635=14...(18) H ARG 57 + HA ARG 53 OK 24 63 - 39 - 1640=7, 4.6/1635=6...(11) H LYS 119 - HA ARG 53 lone 4 71 - 6 - 1627/3.6=3 HD21 ASN 12 - HA ARG 53 lone 4 100 - 4 - 1627/3.6=1 H ALA 122 - HA ARG 53 lone 1 57 - 2 - Peak 6066 from cnoeabs.peaks (2.04, 3.89, 59.20 ppm; 3.83 A): 3 out of 8 assignments used, quality = 0.95: HB3 ARG 53 + HA ARG 53 OK 85 85 - 100 - 3.0=100 * HB2 GLU 56 + HA ARG 53 OK 54 100 - 54 - 3.7/6065=15, 1.8/6068=10...(16) HG3 PRO 37 + HA ARG 53 OK 32 97 - 33 - 2.3/6068=6, 2.3/8750=4...(10) HB ILE 63 - HA ARG 53 OK 31 73 - 42 - 3.0/3126=6, ~6962=5...(17) HG3 PRO 60 - HA ARG 53 OK 25 99 - 25 - 2.3/6068=3, 238/3.6=2...(7) HG3 PRO 70 - HA ARG 53 OK 14 100 - 14 - 2.3/8750=1, 3132/3.0=1 HB3 GLU 38 - HA ARG 53 OK 10 83 - 12 - 3.8/3121=2, 4.4/6064=2, ~6004=1 HB3 ARG 81 - HA ARG 53 lone 9 96 - 9 - 3.5/3127=1, 6067=1 Peak 6067 from cnoeabs.peaks (3.89, 2.04, 29.53 ppm; 4.07 A): 4 out of 56 assignments used, quality = 0.93: HA ARG 53 + HB3 ARG 53 OK 65 65 - 100 - 3.0=100 * HA ARG 53 + HB2 GLU 56 OK 61 100 - 61 - 6065/3.7=17, 6068/1.8=11...(20) HD2 PRO 68 + HB2 GLU 56 OK 31 71 - 45 - 6069/1.8=5, 1635/3.7=4...(25) HD3 PRO 68 + HB2 GLU 56 OK 29 65 - 44 - 6069/1.8=5, ~6069=4...(25) HB THR 62 - HB3 ARG 81 OK 20 56 - 36 - 7107=4, 3491/3.0=4...(16) HB3 SER 112 - HB2 GLU 56 OK 14 100 - 14 - 1640/4.6=2, 6069/1.8=2...(7) HB2 SER 112 - HB2 GLU 56 OK 14 100 - 14 - 1640/4.6=2, 6069/1.8=2...(7) HB THR 62 - HB2 GLU 56 OK 13 65 - 21 - 2.1/7113=3, 7108/3.0=3...(8) HB3 SER 112 - HB3 ARG 53 OK 11 64 - 17 - 3130/1.8=3, 3170/3.6=2...(10) HB2 SER 112 - HB3 ARG 53 OK 11 63 - 17 - 3130/1.8=3, 3170/3.6=2...(10) HA ARG 53 - HB3 ARG 81 OK 11 94 - 11 - 6066=2, 3127/3.5=1 HB3 ASN 79 - HB3 ARG 53 OK 10 64 - 16 - 3130/1.8=2, ~6064=2...(7) HB THR 95 - HB3 ARG 53 OK 10 65 - 16 - 7621/4.7=3, 3130/1.8=2...(7) HB3 ASN 79 - HB2 GLU 56 lone 10 100 - 10 - 6069/1.8=2, 1635/3.7=1...(4) HB2 SER 13 - HB3 ARG 53 poor 9 51 - 17 - 3130/1.8=2, 3170/3.6=2...(9) HB THR 62 - HB3 ARG 53 poor 8 35 - 24 - 2.1/7113=7, 3130/1.8=2...(10) HB THR 95 - HB2 GLU 56 lone 6 100 - 6 - HA ARG 53 - HB3 GLU 38 poor 6 43 - 14 - 3121/3.8=2, 6066=2...(6) HB3 ASN 79 - HB3 GLU 38 poor 6 42 - 14 - 4061/4.4=3, 3.5/7380=2...(5) HD2 PRO 68 - HB3 ARG 53 poor 5 39 - 14 - 3130/1.8=2, ~3130=1 HD3 PRO 68 - HB3 ARG 53 poor 5 35 - 14 - 3130/1.8=2, ~3130=1 HA ILE 34 - HB2 GLU 56 lone 5 90 - 5 - 3.2/6636=1 HA3 GLY 2 - HB3 ARG 53 lone 4 53 - 8 - 3130/1.8=1 HA2 GLY 2 - HB3 ARG 53 lone 4 53 - 8 - 3130/1.8=1 HA ILE 34 - HB3 ARG 53 lone 4 53 - 7 - 3130/1.8=1 HB2 SER 13 - HB2 GLU 56 lone 3 89 - 4 - HA THR 33 - HB3 ARG 53 lone 3 35 - 9 - ~6064=1 HA3 GLY 2 - HB2 GLU 56 lone 3 90 - 3 - HA2 GLY 2 - HB2 GLU 56 lone 3 90 - 3 - HB THR 95 - HB3 ARG 81 lone 3 93 - 3 - HB3 SER 112 - HB3 ARG 81 lone 3 93 - 3 - HB2 SER 112 - HB3 ARG 81 lone 3 92 - 3 - HB2 SER 13 - HB3 GLU 38 lone 2 33 - 7 - HA THR 33 - HB2 GLU 56 lone 2 65 - 3 - HB3 ASN 79 - HB3 ARG 81 lone 2 93 - 2 - HB THR 33 - HB3 ARG 53 lone 2 37 - 6 - HA ILE 34 - HB3 GLU 38 lone 2 34 - 6 - 3.2/6636=3 HD2 PRO 68 - HB3 ARG 81 lone 2 61 - 3 - HD3 PRO 68 - HB3 ARG 81 lone 2 56 - 3 - HD2 PRO 68 - HB3 GLU 38 lone 1 24 - 6 - HB THR 33 - HB2 GLU 56 lone 1 68 - 2 - HB2 SER 13 - HB3 ARG 81 lone 1 79 - 2 - HB THR 95 - HB3 GLU 38 lone 1 43 - 3 - HD3 PRO 68 - HB3 GLU 38 lone 1 22 - 6 - HA ILE 34 - HB3 ARG 81 lone 1 80 - 1 - HA THR 33 - HB3 GLU 38 lone 1 22 - 5 - HB3 SER 112 - HB3 GLU 38 lone 1 42 - 2 - HB2 SER 112 - HB3 GLU 38 lone 1 42 - 2 - HA2 GLY 2 - HB3 ARG 81 lone 1 80 - 1 - HA3 GLY 2 - HB3 ARG 81 lone 1 80 - 1 - HA THR 33 - HB3 ARG 81 lone 1 56 - 1 - HB THR 62 - HB3 GLU 38 lone 1 22 - 2 - HB THR 33 - HB3 ARG 81 lone 0 59 - 1 - HB THR 33 - HB3 GLU 38 lone 0 23 - 2 - HA2 GLY 2 - HB3 GLU 38 lone 0 34 - 1 - HA3 GLY 2 - HB3 GLU 38 lone 0 34 - 1 - Peak 6068 from cnoeabs.peaks (1.79, 3.89, 59.20 ppm; 3.83 A): 6 out of 13 assignments used, quality = 0.86: * HB3 GLU 56 + HA ARG 53 OK 52 100 - 52 - 3.7/6065=15, 6069=9...(14) HB2 PRO 37 + HA ARG 53 OK 32 99 - 32 - 1.8/8750=4, 2.3/6066=4...(14) HG13 ILE 63 + HA ARG 53 OK 27 63 - 44 - 1.8/3125=6, ~7126=6...(14) HB2 PRO 60 + HA ARG 53 OK 18 97 - 19 - 2.3/6066=3, 2.3/3124=2...(4) HB3 ARG 57 + HA ARG 53 OK 16 83 - 20 - 3.7/6070=7, 6069=2...(6) HB3 ARG 92 + HA ARG 53 OK 14 93 - 15 - 3.5/3127=2, 3.5/3127=1...(7) HB2 LEU 117 - HA ARG 53 lone 8 85 - 9 - ~6960=2, 1.8/8750=2, 3.0/3123=1 HB2 LYS 32 - HA ARG 53 lone 7 99 - 7 - 4.7/6064=1 HG3 PRO 30 - HA ARG 53 lone 4 60 - 6 - 1.8/3125=1 HB2 GLU 75 - HA ARG 53 lone 3 89 - 4 - HG2 GLU 75 - HA ARG 53 lone 2 81 - 3 - HD3 LYS 109 - HA ARG 53 lone 2 65 - 3 - HB3 GLN 105 - HA ARG 53 lone 1 68 - 2 - Peak 6069 from cnoeabs.peaks (3.89, 1.79, 29.53 ppm; 4.30 A): 7 out of 28 assignments used, quality = 0.90: * HA ARG 53 + HB3 GLU 56 OK 61 100 - 61 - 6065/3.7=18, 6068=14...(18) HD2 PRO 68 + HB3 GLU 56 OK 34 71 - 48 - 3.0/3277=4, 8732/3.0=4...(28) HD3 PRO 68 + HB3 GLU 56 OK 31 65 - 48 - 3.0/3277=4, 8732/3.0=4...(28) HB3 SER 112 + HB3 GLU 56 OK 14 100 - 14 - 1640/4.6=3, 1635/3.7=2...(8) HB2 SER 112 + HB3 GLU 56 OK 14 100 - 14 - 1640/4.6=3, 1635/3.7=2...(8) HB THR 62 + HB3 GLU 56 OK 12 65 - 19 - 7108/3.0=3, ~7113=3...(8) HA ARG 53 + HB3 ARG 57 OK 12 45 - 27 - 6070/3.7=9, 6068=4...(9) HB3 ASN 79 - HB3 GLU 56 lone 10 100 - 10 - 1635/3.7=2, 1640/4.6=1 HB THR 95 - HB3 GLU 56 lone 6 100 - 6 - HA ILE 34 - HB3 GLU 56 lone 5 90 - 5 - ~6636=1 HA3 GLY 2 - HB3 GLU 56 lone 3 90 - 3 - HA2 GLY 2 - HB3 GLU 56 lone 3 90 - 3 - HB2 SER 13 - HB3 GLU 56 lone 3 89 - 3 - HA THR 33 - HB3 GLU 56 lone 3 65 - 4 - 2.9/130=1 HB3 ASN 79 - HB3 ARG 57 lone 3 44 - 6 - 1640/3.7=1 HB3 SER 112 - HB3 ARG 57 lone 2 44 - 5 - 1640/3.7=3, 4.5/360=1 HB2 SER 112 - HB3 ARG 57 lone 2 44 - 5 - 1640/3.7=3, 4.5/360=1 HB THR 33 - HB3 GLU 56 lone 2 68 - 3 - 4.0/130=1 HB THR 95 - HB3 ARG 57 lone 2 45 - 4 - 7618/4.9=1, 1640/3.7=1 HB THR 62 - HB3 ARG 57 lone 2 23 - 8 - 4.4/1071=2, 1640/3.7=1, ~7109=1 HB2 SER 13 - HB3 ARG 57 lone 1 35 - 4 - HD2 PRO 68 - HB3 ARG 57 lone 1 26 - 4 - 1640/3.7=2 HA ILE 34 - HB3 ARG 57 lone 1 36 - 3 - HD3 PRO 68 - HB3 ARG 57 lone 1 23 - 4 - 1640/3.7=1 HA THR 33 - HB3 ARG 57 lone 1 23 - 3 - HA3 GLY 2 - HB3 ARG 57 lone 0 36 - 1 - HA2 GLY 2 - HB3 ARG 57 lone 0 36 - 1 - HB THR 33 - HB3 ARG 57 lone 0 24 - 2 - Peak 6070 from cnoeabs.peaks (7.59, 3.89, 59.20 ppm; 4.33 A): 4 out of 6 assignments used, quality = 0.82: * H ARG 57 + HA ARG 53 OK 49 100 - 50 - 1640=13, 4.6/1635=7...(13) H GLU 56 + HA ARG 53 OK 38 63 - 60 - 1634/3.6=10, 1635=10...(17) H CYS 52 + HA ARG 53 OK 37 78 - 48 - 1461/3.0=18, 1617/3.6=14...(10) H SER 113 + HA ARG 53 OK 10 92 - 11 - 231/3.0=3, 1624/3.6=2, 574=2 H LYS 119 - HA ARG 53 lone 8 100 - 8 - 1627/3.6=2, 231/3.0=1 HD21 ASN 12 - HA ARG 53 lone 2 76 - 3 - Peak 6071 from cnoeabs.peaks (7.62, 3.75, 57.78 ppm; 4.41 A): 3 out of 5 assignments used, quality = 0.73: * H GLU 56 + HA LEU 54 OK 56 100 - 56 - 250/3.6=21, 1634/3.0=19...(11) H ARG 57 + HA LEU 54 OK 32 63 - 50 - 1639=12, 1638/3.6=8...(11) H LYS 119 + HA LEU 54 OK 11 71 - 16 - 1464/3.6=4, 1627/3.0=3...(4) HD21 ASN 12 - HA LEU 54 lone 5 100 - 5 - 1464/3.6=2, 1627/3.0=2 H ALA 122 - HA LEU 54 lone 2 57 - 4 - Peak 6072 from cnoeabs.peaks (7.59, 3.75, 57.78 ppm; 4.47 A): 5 out of 6 assignments used, quality = 0.86: * H ARG 57 + HA LEU 54 OK 62 100 - 62 - 1639=20, 1638/3.6=14...(12) H GLU 56 + HA LEU 54 OK 29 63 - 46 - 250/3.6=14, 1634/3.0=12...(10) H CYS 52 + HA LEU 54 OK 27 78 - 34 - 1617/3.0=16, 1632/3.6=6...(7) H LYS 119 + HA LEU 54 OK 21 100 - 22 - 1632/3.6=5, 606/3.0=5...(6) H SER 113 + HA LEU 54 OK 12 92 - 13 - 1632/3.6=3, 1624/3.0=2...(5) HD21 ASN 12 - HA LEU 54 lone 3 76 - 4 - 1464/3.6=1, 1627/3.0=1 Peak 6073 from cnoeabs.peaks (2.07, 3.75, 57.78 ppm; 4.32 A): 6 out of 15 assignments used, quality = 0.88: HG LEU 21 + HA LEU 54 OK 43 97 - 45 - 2.1/3182=15, 2125/4.0=9...(7) * HB2 ARG 57 + HA LEU 54 OK 39 100 - 39 - 3.7/1639=11, 8503/4.0=7...(9) HG3 PRO 60 + HA LEU 54 OK 31 68 - 46 - 2.3/3179=7, 2.3/6075=6...(15) HB3 GLU 38 + HA LEU 54 OK 26 96 - 27 - 8503/4.0=4, 6074=3...(11) HB2 LEU 114 + HA LEU 54 OK 25 97 - 26 - 3.1/3183=4, 5069/4.0=3...(11) HB ILE 63 + HA LEU 54 OK 10 99 - 10 - ~240=2, 3.0/6075=2, ~239=1 HG3 PRO 37 - HA LEU 54 poor 10 78 - 13 - ~8389=2, ~8422=2, 2.3/6075=1 HB2 GLN 16 - HA LEU 54 lone 5 99 - 5 - HB3 GLN 16 - HA LEU 54 lone 5 99 - 5 - HB3 ARG 81 - HA LEU 54 lone 4 83 - 5 - 1.8/3919=1 HB2 LEU 101 - HA LEU 54 lone 4 63 - 6 - ~5617=2, ~239=1 HB2 GLN 105 - HA LEU 54 lone 3 100 - 3 - HG2 GLU 64 - HA LEU 54 lone 2 100 - 2 - HB2 GLU 15 - HA LEU 54 lone 2 92 - 2 - HG3 GLU 69 - HA LEU 54 lone 2 85 - 2 - Peak 6074 from cnoeabs.peaks (3.75, 2.07, 29.15 ppm; 3.63 A): 2 out of 20 assignments used, quality = 0.94: HA GLU 38 + HB3 GLU 38 OK 90 90 - 100 - 3.0=100 HA GLU 38 + HB2 ARG 57 OK 40 97 - 41 - 6076/1.8=6, 2702=5...(13) ! HA LEU 54 - HB2 ARG 57 OK 30 100 - 30 - 1639/3.7=7, 6073=5...(7) HD2 PRO 30 - HB3 GLU 38 OK 20 77 - 27 - 2706/1.8=3, 927/3.8=3...(16) HA LEU 54 - HB3 GLU 38 OK 19 96 - 20 - 6073=4, 4.0/8503=3...(8) HA GLU 73 - HB2 ARG 57 OK 14 100 - 14 - 6076/1.8=3, 6082/3.5=2...(4) HA CYS 87 - HB3 GLU 38 OK 12 91 - 13 - 4338/3.0=2, 2706/1.8=1...(4) HA GLU 73 - HB3 GLU 38 lone 9 95 - 10 - 6084/3.8=3 HA CYS 87 - HB2 ARG 57 lone 9 97 - 9 - 7069/4.2=2, 6076/1.8=2 HB3 SER 13 - HB3 GLU 38 poor 9 81 - 11 - 4.5/6300=2, 927/3.8=1 HB3 SER 90 - HB2 ARG 57 lone 7 93 - 7 - 6076/1.8=1, 1639/3.7=1...(4) HB3 SER 13 - HB2 ARG 57 lone 5 89 - 5 - HD2 PRO 30 - HB2 ARG 57 lone 4 85 - 5 - 7069/4.2=1 HB3 SER 90 - HB3 GLU 38 lone 3 86 - 4 - HB3 SER 35 - HB3 GLU 38 lone 3 90 - 3 - HA3 GLY 86 - HB3 GLU 38 lone 3 61 - 4 - HB2 SER 72 - HB2 ARG 57 lone 3 60 - 4 - HB3 SER 35 - HB2 ARG 57 lone 2 97 - 2 - HB2 SER 72 - HB3 GLU 38 lone 2 53 - 3 - HA3 GLY 86 - HB2 ARG 57 lone 2 68 - 2 - Peak 6075 from cnoeabs.peaks (1.81, 3.75, 57.78 ppm; 4.43 A): 5 out of 14 assignments used, quality = 0.91: HB2 PRO 60 + HA LEU 54 OK 47 98 - 49 - 1.8/3179=8, 2.3/6073=5...(18) HG3 ARG 53 + HA LEU 54 OK 41 92 - 45 - 5618/3.0=13, ~5616=9...(9) * HB3 ARG 57 + HA LEU 54 OK 40 100 - 40 - 3.7/1639=11, 6076=9...(9) HB3 GLU 56 + HA LEU 54 OK 37 83 - 45 - 3.7/6071=15, 4.6/1639=9...(13) HG2 GLU 75 + HA LEU 54 OK 25 100 - 25 - 1.8/3183=6, ~3197=3...(9) HG2 GLU 73 - HA LEU 54 OK 15 68 - 22 - 2.9/3919=4, 2.9/3913=3...(9) HG13 ILE 63 - HA LEU 54 OK 14 99 - 15 - 240/3.0=3, 7132/6071=3...(5) HG3 GLU 73 - HA LEU 54 OK 14 65 - 22 - 2.9/3919=4, 2.9/3913=3...(9) HB2 PRO 37 - HA LEU 54 OK 11 68 - 17 - ~8389=3, ~8422=3...(4) HG LEU 41 - HA LEU 54 poor 10 83 - 12 - 5.2/1586=2, 240/3.0=2...(4) HB2 LYS 32 - HA LEU 54 poor 8 68 - 11 - 4.7/5621=3, 3.0/3181=2 HB3 ARG 92 - HA LEU 54 lone 5 99 - 5 - 5618/3.0=3 HB3 GLN 105 - HA LEU 54 lone 4 99 - 4 - HB2 GLU 69 - HA LEU 54 lone 2 81 - 3 - Peak 6076 from cnoeabs.peaks (3.75, 1.81, 29.15 ppm; 4.50 A): 6 out of 20 assignments used, quality = 0.86: HA GLU 38 + HB3 ARG 57 OK 52 97 - 54 - 6710=8, 1639/3.7=7...(26) * HA LEU 54 + HB3 ARG 57 OK 39 100 - 39 - 1639/3.7=11, 6073/1.8=8...(9) HA LEU 54 + HB3 GLU 56 OK 21 45 - 46 - 6071/3.7=15, 1639/4.6=9...(13) HA GLU 73 + HB3 ARG 57 OK 21 100 - 21 - 6082/3.5=3, 1639/3.7=2...(5) HA CYS 87 + HB3 ARG 57 OK 13 97 - 13 - 7069/4.2=3, 1639/3.7=2 HA GLU 38 + HB3 GLU 56 OK 12 40 - 29 - 1639/4.6=6, 6710=4...(7) HB3 SER 90 - HB3 ARG 57 poor 10 93 - 10 - 3.8/5640=2, 1639/3.7=2...(5) HD2 PRO 30 - HB3 ARG 57 lone 7 85 - 8 - 7069/4.2=2, 1639/3.7=1 HB3 SER 13 - HB3 ARG 57 lone 6 89 - 6 - 1639/3.7=1 HB2 SER 72 - HB3 ARG 57 lone 4 60 - 7 - HA CYS 87 - HB3 GLU 56 lone 4 41 - 9 - 1639/4.6=2, ~8299=1 HB3 SER 35 - HB3 ARG 57 lone 3 97 - 3 - HA3 GLY 86 - HB3 ARG 57 lone 2 68 - 4 - HA GLU 73 - HB3 GLU 56 lone 2 44 - 5 - 1639/4.6=2 HD2 PRO 30 - HB3 GLU 56 lone 1 33 - 5 - 1639/4.6=1 HB3 SER 90 - HB3 GLU 56 lone 1 38 - 4 - 1639/4.6=1 HB3 SER 13 - HB3 GLU 56 lone 1 35 - 4 - HA3 GLY 86 - HB3 GLU 56 lone 1 24 - 3 - HB3 SER 35 - HB3 GLU 56 lone 1 40 - 2 - HB2 SER 72 - HB3 GLU 56 lone 0 21 - 2 - Peak 6077 from cnoeabs.peaks (7.59, 4.06, 57.73 ppm; 4.66 A): 5 out of 6 assignments used, quality = 0.94: H GLU 56 + HA LEU 55 OK 63 63 - 100 - 3.6=100 * H ARG 57 + HA LEU 55 OK 49 100 - 49 - 1638/3.0=16, 1637=13...(9) H LYS 119 + HA LEU 55 OK 43 100 - 43 - 4.6/6999=7, 1632/3.0=6...(18) H CYS 52 + HA LEU 55 OK 30 78 - 38 - ~6058=9, 1632/3.0=8...(10) H SER 113 + HA LEU 55 OK 23 92 - 25 - 1761=3, 1632/3.0=3...(8) HD21 ASN 12 - HA LEU 55 lone 6 76 - 8 - 1464/3.0=2, 5.7/6999=1 Peak 6079 from cnoeabs.peaks (7.56, 3.74, 59.68 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.68: * H CYS 76 + HA GLU 73 OK 58 100 - 58 - 4.0/6080=18, 1648=13...(10) H SER 113 + HA GLU 73 OK 13 92 - 14 - 1647/3.6=4, 1648=3...(5) HE3 TRP 20 + HA GLU 73 OK 13 93 - 14 - 2.5/7291=6, ~7292=2, 3982/6080=1 H CYS 52 - HA GLU 73 lone 9 99 - 9 - 4.0/6082=2, 1617/1018=1 Peak 6080 from cnoeabs.peaks (2.82, 3.74, 59.68 ppm; 4.62 A): 1 out of 9 assignments used, quality = 0.53: * HB2 CYS 76 + HA GLU 73 OK 53 100 - 53 - 4.0/6079=16, 1.8/6082=16...(7) HB3 PHE 107 - HA GLU 73 lone 7 71 - 9 - 1.8/6082=3, 4.4/4782=2 HB2 ASN 79 - HA GLU 73 lone 6 73 - 8 - 4.5/5711=3, 1136/6079=1 HB2 TYR 67 - HA GLU 73 lone 4 83 - 5 - HB3 TYR 67 - HA GLU 73 lone 4 83 - 5 - HB2 ASN 99 - HA GLU 73 lone 3 78 - 4 - 4752/7291=1 HB2 ASP 36 - HA GLU 73 lone 3 78 - 4 - HB2 ASN 108 - HA GLU 73 lone 1 71 - 2 - HB2 ASP 97 - HA GLU 73 lone 1 63 - 2 - Peak 6081 from cnoeabs.peaks (3.74, 2.82, 27.90 ppm; 5.37 A): 5 out of 10 assignments used, quality = 0.87: * HA GLU 73 + HB2 CYS 76 OK 70 100 - 70 - 6080=32, 6079/4.0=21...(7) HA GLU 38 + HB2 CYS 76 OK 34 92 - 37 - 6083/1.8=9, 1653/4.7=6...(8) HB3 SER 35 + HB2 CYS 76 OK 16 92 - 17 - 6083/1.8=4, 1653/4.7=2...(9) HA LEU 54 + HB2 CYS 76 OK 14 100 - 14 - 6083/1.8=3, 1648/4.0=3...(4) HB3 SER 13 + HB2 CYS 76 OK 13 81 - 15 - 6083/1.8=3, 4.0/5725=3...(7) HD2 PRO 30 - HB2 CYS 76 poor 8 76 - 10 - 1653/4.7=3, 6083/1.8=2...(4) HA CYS 87 - HB2 CYS 76 lone 6 93 - 6 - 6083/1.8=2, 1648/4.0=1 HB3 SER 90 - HB2 CYS 76 lone 5 97 - 5 - 6083/1.8=1 HA2 GLY 104 - HB2 CYS 76 lone 3 60 - 5 - 1653/4.7=1 HA3 GLY 86 - HB2 CYS 76 lone 3 78 - 4 - Peak 6082 from cnoeabs.peaks (3.11, 3.74, 59.68 ppm; 4.69 A): 5 out of 8 assignments used, quality = 0.83: * HB3 CYS 76 + HA GLU 73 OK 61 100 - 61 - 1.8/6080=26, 4.0/6079=17...(7) HD3 ARG 81 + HA GLU 73 OK 28 90 - 32 - 3.5/3919=5, 4154/3.0=3...(16) HD3 ARG 53 + HA GLU 73 OK 17 85 - 20 - 6973/3.0=4, ~6974=2...(6) HD3 ARG 57 + HA GLU 73 OK 16 97 - 17 - 3.5/6076=3, 3.5/6074=2...(6) HB2 PHE 107 + HA GLU 73 OK 12 100 - 12 - 1.8/6080=3, 4.4/4782=2 HB3 CYS 52 - HA GLU 73 lone 10 100 - 10 - 4.0/6079=3, 3117/6079=1 HB3 ASP 100 - HA GLU 73 lone 4 100 - 4 - HB3 HIS 10 - HA GLU 73 lone 1 60 - 1 - Peak 6083 from cnoeabs.peaks (3.74, 3.11, 27.90 ppm; 5.13 A): 5 out of 10 assignments used, quality = 0.85: * HA GLU 73 + HB3 CYS 76 OK 68 100 - 68 - 6080/1.8=29, 6082=20...(7) HA GLU 38 + HB3 CYS 76 OK 32 92 - 35 - 6081/1.8=7, 3.0/5726=6...(8) HB3 SER 35 + HB3 CYS 76 OK 14 92 - 15 - 6081/1.8=4, 1653/4.7=2...(8) HA LEU 54 + HB3 CYS 76 OK 13 100 - 13 - 6081/1.8=3, 1648/4.0=3...(4) HB3 SER 13 + HB3 CYS 76 OK 12 81 - 14 - 6081/1.8=3, 4.0/5726=2...(7) HD2 PRO 30 - HB3 CYS 76 lone 7 76 - 10 - 1653/4.7=3, 6081/1.8=2...(4) HA CYS 87 - HB3 CYS 76 lone 6 93 - 6 - 6081/1.8=1, 1648/4.0=1 HB3 SER 90 - HB3 CYS 76 lone 4 97 - 4 - 6081/1.8=1 HA2 GLY 104 - HB3 CYS 76 lone 3 60 - 5 - 1653/4.7=1 HA3 GLY 86 - HB3 CYS 76 lone 3 78 - 3 - Peak 6084 from cnoeabs.peaks (8.51, 3.74, 59.68 ppm; 5.00 A): 3 out of 8 assignments used, quality = 0.72: * H LEU 77 + HA GLU 73 OK 60 100 - 60 - 4.7/6080=18, 1653=17...(10) H GLU 38 + HA GLU 73 OK 21 97 - 21 - 927=3, 3.9/3908=2...(9) H GLU 28 + HA GLU 73 OK 10 97 - 11 - 3.8/3909=1, 883/3.0=1, ~6114=1 H PHE 40 - HA GLU 73 lone 7 81 - 9 - 4.6/1586=2, 1579=2 H LYS 31 - HA GLU 73 lone 6 95 - 6 - H LEU 84 - HA GLU 73 lone 6 93 - 6 - H SER 13 - HA GLU 73 lone 5 98 - 5 - H GLY 2 - HA GLU 73 lone 1 78 - 2 - Peak 6086 from cnoeabs.peaks (8.51, 3.95, 61.57 ppm; 4.85 A): 4 out of 8 assignments used, quality = 0.89: * H LEU 77 + HA SER 74 OK 80 100 - 80 - 1652=24, 4.0/6089=21...(10) H GLU 38 + HA SER 74 OK 27 97 - 28 - 1645/3.6=7, 6092/4.7=6...(10) H LYS 31 + HA SER 74 OK 20 95 - 21 - 1645/3.6=6, 4.6/5716=4...(5) H PHE 40 + HA SER 74 OK 12 81 - 15 - 4.6/6091=3, 1645/3.6=2...(6) H GLU 28 - HA SER 74 lone 9 97 - 9 - 1645/3.6=2, 6092/4.7=1 H SER 13 - HA SER 74 lone 7 98 - 7 - 1645/3.6=1 H LEU 84 - HA SER 74 lone 7 93 - 7 - 1645/3.6=1, 6092/4.7=1 H GLY 2 - HA SER 74 lone 2 78 - 2 - Peak 6087 from cnoeabs.peaks (1.19, 3.95, 61.57 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.79: * HB2 LEU 77 + HA SER 74 OK 76 100 - 76 - 1.8/6089=28, 3.1/7298=19...(11) HG2 LYS 32 + HA SER 74 OK 15 71 - 21 - 3.0/7302=4, 1.8/8510=4...(5) HB3 LEU 24 - HA SER 74 poor 7 63 - 11 - 3.9/6091=3, 3.1/7298=2 HB3 LEU 111 - HA SER 74 lone 7 76 - 9 - ~6224=1, 6088=1, 4006/6089=1 QG2 VAL 18 - HA SER 74 lone 6 92 - 6 - Peak 6088 from cnoeabs.peaks (3.95, 1.19, 41.21 ppm; 4.91 A): 4 out of 14 assignments used, quality = 0.94: * HA SER 74 + HB2 LEU 77 OK 85 100 - 85 - 6087=34, 6089/1.8=32...(11) HA2 GLY 125 + HB2 LEU 77 OK 29 100 - 29 - 6090/1.8=5, 7353/3.1=5...(10) HA3 GLY 125 + HB2 LEU 77 OK 29 100 - 29 - 6090/1.8=5, 7353/3.1=5...(10) HA THR 23 + HB2 LEU 77 OK 25 93 - 27 - 3.6/5728=5, 1658/4.3=5...(8) HA2 GLY 25 - HB2 LEU 77 OK 23 93 - 25 - 1658/4.3=4, 8511/3.0=4...(8) HA ARG 85 - HB2 LEU 77 lone 9 89 - 10 - 1652/4.0=2, 1658/4.3=2...(4) HA SER 74 - HB3 LEU 111 poor 7 55 - 12 - 6087=3, ~6224=1...(5) HA ALA 43 - HB2 LEU 77 lone 5 63 - 8 - ~180=2, 1658/4.3=2, 1652/4.0=1 HA THR 23 - HB3 LEU 111 lone 4 47 - 9 - ~78=4, 3.6/862=1 HA ALA 43 - HB3 LEU 111 poor 3 28 - 11 - ~1598=4, ~6809=3, ~8166=2 HA2 GLY 25 - HB3 LEU 111 lone 2 47 - 5 - 3.0/86=1 HA ARG 85 - HB3 LEU 111 lone 2 43 - 6 - ~417=3 HA3 GLY 125 - HB3 LEU 111 lone 1 54 - 3 - HA2 GLY 125 - HB3 LEU 111 lone 1 54 - 3 - Peak 6089 from cnoeabs.peaks (1.71, 3.95, 61.57 ppm; 4.21 A): 3 out of 6 assignments used, quality = 0.77: * HB3 LEU 77 + HA SER 74 OK 71 100 - 71 - 1.8/6087=24, 3.1/7298=17...(12) HB3 LEU 55 + HA SER 74 OK 11 99 - 11 - 6090=2, 4000/6087=2...(5) HB2 LYS 31 + HA SER 74 OK 11 93 - 12 - 4.7/5716=3, 4.0/6086=3...(4) HB3 ARG 71 - HA SER 74 lone 6 87 - 7 - 4.3/5716=2, 5518/3.6=2 HG3 GLN 42 - HA SER 74 lone 3 68 - 4 - 5.2/6091=1 HB2 LEU 91 - HA SER 74 lone 3 73 - 4 - Peak 6090 from cnoeabs.peaks (3.95, 1.71, 41.21 ppm; 4.62 A): 4 out of 14 assignments used, quality = 0.93: * HA SER 74 + HB3 LEU 77 OK 83 100 - 83 - 6089=34, 6087/1.8=28...(12) HA2 GLY 125 + HB3 LEU 77 OK 27 100 - 27 - 6088/1.8=5, 7353/3.1=4...(10) HA3 GLY 125 + HB3 LEU 77 OK 27 100 - 27 - 6088/1.8=5, 7353/3.1=4...(10) HA THR 23 + HB3 LEU 77 OK 22 93 - 24 - 3.6/5729=4, 1658/4.3=4...(7) HA2 GLY 25 - HB3 LEU 77 OK 20 93 - 21 - 1658/4.3=4, 6088/1.8=4...(7) HA SER 74 - HB3 LEU 55 OK 15 94 - 16 - 6089=5, 6087/4000=2...(5) HA THR 23 - HB3 LEU 55 OK 12 84 - 14 - ~77=3, 6453/3.1=3, ~75=2 HA ARG 85 - HB3 LEU 77 lone 7 89 - 8 - 1652/4.0=2, 1658/4.3=2...(4) HA2 GLY 125 - HB3 LEU 55 lone 6 93 - 6 - ~639=1 HA3 GLY 125 - HB3 LEU 55 lone 6 93 - 6 - ~639=1 HA ALA 43 - HB3 LEU 55 lone 5 54 - 9 - ~6811=2, ~6808=1...(4) HA ALA 43 - HB3 LEU 77 lone 5 63 - 7 - 3.0/180=2, 1658/4.3=2 HA2 GLY 25 - HB3 LEU 55 lone 4 84 - 4 - HA ARG 85 - HB3 LEU 55 lone 3 79 - 4 - Peak 6091 from cnoeabs.peaks (8.07, 3.95, 61.57 ppm; 5.27 A): 6 out of 6 assignments used, quality = 0.91: * H SER 78 + HA SER 74 OK 78 100 - 78 - 4.3/6089=23, 4.3/6087=23...(11) H LEU 24 + HA SER 74 OK 23 92 - 25 - 6093/4.7=3, 80=3...(11) H GLY 39 + HA SER 74 OK 19 76 - 25 - 6093/4.7=5, 4.6/6086=5...(8) H THR 33 + HA SER 74 OK 17 63 - 27 - 4.7/7302=5, 4.6/5716=4...(8) H GLN 42 + HA SER 74 OK 15 85 - 17 - 6093/4.7=5, 7296/3.0=2...(5) H GLN 105 + HA SER 74 OK 11 92 - 12 - 6093/4.7=2, 7296/3.0=1...(4) Peak 6092 from cnoeabs.peaks (8.51, 3.58, 59.35 ppm; 5.37 A): 6 out of 8 assignments used, quality = 0.93: * H LEU 77 + HA GLU 75 OK 66 100 - 67 - 362/3.6=26, 1652/4.7=16...(9) H GLU 38 + HA GLU 75 OK 55 97 - 57 - 1645/2.9=9, 3.6/6096=7...(17) H LYS 31 + HA GLU 75 OK 29 95 - 31 - 1645/2.9=7, 115/3.0=4...(10) H PHE 40 + HA GLU 75 OK 21 81 - 26 - 4.6/6093=5, 1645/2.9=3...(9) H LEU 84 + HA GLU 75 OK 13 93 - 14 - 4.6/6098=2, 1645/2.9=2...(6) H GLU 28 + HA GLU 75 OK 11 97 - 12 - 1645/2.9=2, 6086/4.7=2 H SER 13 - HA GLU 75 lone 9 98 - 9 - 1645/2.9=2, 1479/3.6=2 H GLY 2 - HA GLU 75 lone 2 78 - 3 - Peak 6093 from cnoeabs.peaks (8.07, 3.58, 59.35 ppm; 4.33 A): 5 out of 6 assignments used, quality = 0.84: * H SER 78 + HA GLU 75 OK 66 100 - 66 - 1657=23, 1656/3.6=13...(10) H GLY 39 + HA GLU 75 OK 24 76 - 32 - 4.6/6092=5, 3.6/7308=4...(12) H GLN 42 + HA GLU 75 OK 21 85 - 25 - 1591=4, 4.0/6013=2...(10) H LEU 24 + HA GLU 75 OK 14 92 - 15 - 1649/3.6=2, 6091/4.7=2...(4) H GLN 105 + HA GLU 75 OK 11 92 - 12 - 1649/3.6=2, 6.3/7287=1...(6) H THR 33 - HA GLU 75 poor 10 63 - 16 - 4.6/3948=3, 128/2.9=2...(6) Peak 6094 from cnoeabs.peaks (4.30, 3.58, 59.35 ppm; 4.14 A): 4 out of 8 assignments used, quality = 0.80: * HB2 SER 78 + HA GLU 75 OK 54 100 - 54 - 6095=21, 1.8/6097=15...(8) HA LYS 65 + HA GLU 75 OK 27 98 - 28 - 7167/3.6=5, 3.0/8329=4...(12) HA LEU 114 + HA GLU 75 OK 26 100 - 26 - 6237/3.0=3, 1351/3.6=3...(11) HB3 SER 113 + HA GLU 75 OK 19 100 - 19 - 5052/3.6=5, 4.0/5719=5...(5) HA GLN 103 - HA GLU 75 lone 3 71 - 4 - HA GLU 94 - HA GLU 75 lone 1 60 - 2 - HB THR 17 - HA GLU 75 lone 1 60 - 1 - HA ALA 122 - HA GLU 75 lone 1 60 - 1 - Peak 6095 from cnoeabs.peaks (3.58, 4.30, 62.60 ppm; 4.23 A): 4 out of 6 assignments used, quality = 0.75: * HA GLU 75 + HB2 SER 78 OK 55 100 - 55 - 6094=21, 6097/1.8=16...(8) HA2 GLY 39 + HB2 SER 78 OK 22 85 - 26 - 6097/1.8=7, 6011/3.9=5...(8) HA LEU 111 + HB2 SER 78 OK 17 78 - 21 - 6097/1.8=6, 1657/3.9=3...(7) HA2 GLY 48 + HB2 SER 78 OK 14 100 - 14 - 6097/1.8=4, 1663/4.5=4...(5) HD2 PRO 70 - HB2 SER 78 poor 8 68 - 11 - 1663/4.5=4, 6097/1.8=2...(4) HA LEU 51 - HB2 SER 78 lone 4 71 - 6 - 6097/1.8=1, 1657/3.9=1 Peak 6096 from cnoeabs.peaks (4.13, 3.58, 59.35 ppm; 4.12 A): 5 out of 12 assignments used, quality = 0.85: * HB3 SER 78 + HA GLU 75 OK 53 100 - 53 - 6097=18, 1.8/6095=17...(7) HA PRO 37 + HA GLU 75 OK 33 90 - 37 - 3.6/6092=5, 2.3/3950=4...(17) HB3 SER 72 + HA GLU 75 OK 28 96 - 29 - 3.9/7287=6, 3902/2.9=5...(8) HA ARG 57 + HA GLU 75 OK 22 95 - 23 - 3.0/3952=4, 3.0/7310=3...(11) HB2 SER 113 + HA GLU 75 OK 13 68 - 20 - 1.8/6094=6, 4.0/5719=4...(5) HA ILE 63 - HA GLU 75 poor 10 97 - 10 - 7307/2.9=1, 7122/4686=1 HA3 GLY 25 - HA GLU 75 lone 6 95 - 7 - 3.0/6098=2 HA PHE 83 - HA GLU 75 lone 6 81 - 8 - 3.0/6098=2, 3.6/6092=1 HA ALA 98 - HA GLU 75 lone 6 97 - 6 - HA LEU 24 - HA GLU 75 lone 6 60 - 10 - 3.0/6093=3, 3.6/6098=2 HA ASN 108 - HA GLU 75 lone 5 90 - 6 - 4692/4693=1 HA ILE 124 - HA GLU 75 lone 5 93 - 5 - 7307/2.9=1 Peak 6097 from cnoeabs.peaks (3.58, 4.13, 62.60 ppm; 4.34 A): 4 out of 6 assignments used, quality = 0.76: * HA GLU 75 + HB3 SER 78 OK 53 100 - 53 - 6095/1.8=18, 6096=14...(7) HA2 GLY 39 + HB3 SER 78 OK 25 85 - 29 - 6095/1.8=8, 6011/3.9=6...(9) HA LEU 111 + HB3 SER 78 OK 20 78 - 25 - 6095/1.8=6, 1657/3.9=4...(8) HA2 GLY 48 + HB3 SER 78 OK 15 100 - 15 - 6095/1.8=5, 1663/4.5=4...(5) HD2 PRO 70 - HB3 SER 78 poor 8 68 - 12 - 1663/4.5=4, 6095/1.8=3...(4) HA LEU 51 - HB3 SER 78 lone 5 71 - 6 - 6095/1.8=1, 1657/3.9=1 Peak 6098 from cnoeabs.peaks (7.84, 3.58, 59.35 ppm; 5.55 A): 4 out of 6 assignments used, quality = 0.83: * H ASN 79 + HA GLU 75 OK 71 100 - 71 - 1663=17, 4.5/6095=16...(13) HD21 ASN 99 + HA GLU 75 OK 24 97 - 25 - 7681/3.6=7, 1.7/8330=3...(8) H GLY 25 + HA GLU 75 OK 13 81 - 16 - 4.7/6093=3, 1481/1657=2...(6) H PHE 83 + HA GLU 75 OK 12 99 - 13 - 4.6/6092=2, 3.0/6096=2...(5) H GLY 88 - HA GLU 75 lone 7 78 - 9 - 3.6/7308=1 HD21 ASN 106 - HA GLU 75 lone 2 63 - 3 - Peak 6099 from cnoeabs.peaks (8.07, 4.36, 62.51 ppm; 5.08 A): 5 out of 6 assignments used, quality = 0.84: * H SER 78 + HA CYS 76 OK 62 100 - 62 - 1655=20, 1480/3.6=20...(6) H GLY 39 + HA CYS 76 OK 23 76 - 30 - 4.6/5724=5, 1649/2.9=5...(11) H GLN 105 + HA CYS 76 OK 22 92 - 23 - 1480/3.6=4, 1649/2.9=3...(11) H GLN 42 + HA CYS 76 OK 16 85 - 19 - 1480/3.6=4, 1589=3...(6) H LEU 24 + HA CYS 76 OK 16 92 - 18 - 1480/3.6=6, 4.7/8338=4...(4) H THR 33 - HA CYS 76 poor 10 63 - 15 - 4.6/7330=4, 1480/3.6=3...(4) Peak 6100 from cnoeabs.peaks (7.84, 4.36, 62.51 ppm; 4.53 A): 3 out of 6 assignments used, quality = 0.69: * H ASN 79 + HA CYS 76 OK 59 100 - 59 - 1662=23, 4.7/6105=10...(10) HD21 ASN 99 + HA CYS 76 OK 16 97 - 16 - 3.5/6101=4, 673/3.0=2...(5) H PHE 83 + HA CYS 76 OK 11 99 - 11 - 1486/3.6=2, 377/6105=2 HD21 ASN 106 - HA CYS 76 lone 5 63 - 9 - 3.5/7805=3, 3.5/7806=3 H GLY 25 - HA CYS 76 lone 5 81 - 6 - 4.7/6099=2, ~1646=1, 1481/1655=1 H GLY 88 - HA CYS 76 lone 2 78 - 2 - Peak 6101 from cnoeabs.peaks (2.84, 4.36, 62.51 ppm; 3.82 A): 4 out of 10 assignments used, quality = 0.92: HB2 CYS 76 + HA CYS 76 OK 73 73 - 100 - 3.0=100 * HB2 ASN 79 + HA CYS 76 OK 49 100 - 49 - 3.9/6100=11, 1.8/6104=8...(14) HB2 ASN 99 + HA CYS 76 OK 24 100 - 24 - 3.5/8338=5, ~7332=4...(8) HB3 PHE 107 + HA CYS 76 OK 23 100 - 23 - 1.8/3981=4, ~3985=3...(12) HB2 TYR 67 - HA CYS 76 OK 20 100 - 20 - 6102=3, 1.8/6102=3...(7) HB3 TYR 67 - HA CYS 76 OK 20 100 - 20 - 6102=3, 1.8/6102=3...(7) HG CYS 52 - HA CYS 76 OK 10 98 - 11 - 3.4/3981=2, ~3117=1...(5) HB2 ASP 36 - HA CYS 76 lone 8 100 - 8 - 6660/3.6=3, 4.0/8572=1 HE3 LYS 119 - HA CYS 76 lone 1 85 - 2 - HE2 LYS 119 - HA CYS 76 lone 1 83 - 2 - Peak 6102 from cnoeabs.peaks (4.36, 2.84, 37.82 ppm; 4.59 A): 6 out of 27 assignments used, quality = 0.92: * HA CYS 76 + HB2 ASN 79 OK 65 100 - 65 - 6100/3.9=16, 6104/1.8=13...(18) HA GLN 105 + HB2 ASN 79 OK 30 78 - 39 - 8143/3.5=6, 6104/1.8=6...(17) HA CYS 76 + HB2 TYR 67 OK 28 100 - 28 - 6101=4, 6101/1.8=4...(9) HA CYS 76 + HB3 TYR 67 OK 28 100 - 28 - 6101=4, 6101/1.8=4...(9) HA ASP 100 + HB2 ASN 79 OK 24 99 - 24 - 7689/3.5=5, 6104/1.8=5...(7) HB THR 116 + HB2 ASN 79 OK 14 93 - 15 - 1668/4.5=4, 6104/1.8=3...(5) HA PHE 40 - HB2 ASN 79 poor 9 85 - 11 - 1662/3.9=3, ~158=2...(5) HA MET 11 - HB2 ASN 79 lone 9 98 - 9 - 6104/1.8=2, 1662/3.9=1 HA SER 35 - HB2 ASN 79 lone 8 85 - 9 - 3.6/924=2, 6104/1.8=1 HA ASP 100 - HB2 TYR 67 lone 7 99 - 7 - 2.9/491=2, ~491=1 HA ASP 100 - HB3 TYR 67 lone 7 99 - 7 - 2.9/491=2, ~491=1 HA GLN 105 - HB3 TYR 67 lone 6 77 - 8 - ~4816=1 HA GLN 105 - HB2 TYR 67 lone 6 77 - 8 - ~4816=1 HB THR 17 - HB2 ASN 79 lone 5 60 - 8 - ~7374=1, 6104/1.8=1 HA LEU 93 - HB2 ASN 79 lone 4 71 - 6 - HA PHE 40 - HB3 TYR 67 lone 4 84 - 5 - 2740/2.6=1 HA PHE 40 - HB2 TYR 67 lone 4 84 - 5 - 2740/2.6=1 HA SER 35 - HB2 TYR 67 lone 3 84 - 4 - 3.6/924=2 HA SER 35 - HB3 TYR 67 lone 3 84 - 4 - 3.6/924=2 HB THR 116 - HB2 TYR 67 lone 3 92 - 3 - HB THR 116 - HB3 TYR 67 lone 3 92 - 3 - HA MET 11 - HB2 TYR 67 lone 3 97 - 3 - HA MET 11 - HB3 TYR 67 lone 3 97 - 3 - HB THR 17 - HB3 TYR 67 lone 2 59 - 3 - HB THR 17 - HB2 TYR 67 lone 2 59 - 3 - HA LEU 93 - HB2 TYR 67 lone 1 70 - 2 - HA LEU 93 - HB3 TYR 67 lone 1 70 - 2 - Peak 6103 from cnoeabs.peaks (3.88, 4.36, 62.51 ppm; 5.99 A): 7 out of 14 assignments used, quality = 0.94: * HB3 ASN 79 + HA CYS 76 OK 77 100 - 77 - 3.9/6100=25, 6104=19...(15) HB3 SER 112 + HA CYS 76 OK 27 99 - 28 - 4.5/3978=7, ~5886=4...(10) HB2 SER 112 + HA CYS 76 OK 27 98 - 27 - 4.5/3978=7, ~5886=4...(10) HA ARG 53 + HA CYS 76 OK 20 100 - 20 - ~231=4, ~234=2...(6) HB THR 95 + HA CYS 76 OK 16 99 - 16 - 4.1/6105=3, 4.4/7330=3...(6) HB2 SER 13 + HA CYS 76 OK 15 95 - 16 - ~6083=2, 4.0/5724=2...(7) HB2 SER 35 + HA CYS 76 OK 12 65 - 19 - ~6081=3, ~6083=3...(8) HD2 PRO 68 - HA CYS 76 poor 10 60 - 16 - 4.8/6102=4, 4.8/6102=4...(4) HA THR 33 - HA CYS 76 poor 10 76 - 13 - 2.9/6099=3, 1890/3.6=2, ~1649=2 HA3 GLY 104 - HA CYS 76 poor 7 63 - 11 - 3.6/6099=6 HB THR 33 - HA CYS 76 lone 6 78 - 8 - 4.0/6099=2 HA ILE 34 - HA CYS 76 lone 5 83 - 6 - 3.2/6626=3 HA2 GLY 2 - HA CYS 76 lone 4 83 - 5 - HA3 GLY 2 - HA CYS 76 lone 4 83 - 5 - Peak 6104 from cnoeabs.peaks (4.36, 3.88, 37.82 ppm; 5.10 A): 5 out of 9 assignments used, quality = 0.86: * HA CYS 76 + HB3 ASN 79 OK 66 100 - 66 - 6100/3.9=20, 7330/3.5=13...(14) HA GLN 105 + HB3 ASN 79 OK 29 78 - 37 - 8143/3.5=7, 6102/1.8=5...(15) HA ASP 100 + HB3 ASN 79 OK 24 99 - 24 - 7689/3.5=5, 1662/3.9=5...(7) HB THR 116 + HB3 ASN 79 OK 15 93 - 16 - 1668/4.5=5, 1662/3.9=3...(5) HA PHE 40 + HB3 ASN 79 OK 11 85 - 13 - 1662/3.9=4, ~158=3...(5) HA MET 11 - HB3 ASN 79 lone 9 98 - 9 - 1662/3.9=2, 6102/1.8=1...(4) HA SER 35 - HB3 ASN 79 lone 7 85 - 9 - 6102/1.8=1, 1662/3.9=1 HB THR 17 - HB3 ASN 79 lone 6 60 - 9 - 3.0/7374=2, 1668/4.5=1 HA LEU 93 - HB3 ASN 79 lone 4 71 - 6 - 1668/4.5=1, 8143/3.5=1 Peak 6105 from cnoeabs.peaks (8.37, 4.36, 62.51 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.70: * H ILE 80 + HA CYS 76 OK 50 100 - 51 - 4.7/6100=18, 4.5/6104=11...(8) H VAL 115 + HA CYS 76 OK 23 99 - 23 - 1769/2.9=7, 4.0/7976=4...(8) H SER 74 + HA CYS 76 OK 20 63 - 32 - ~1646=10, 4.7/7330=10...(5) H THR 95 - HA CYS 76 poor 8 71 - 11 - 4.6/7330=2, 1482/6100=2...(5) Peak 6107 from cnoeabs.peaks (8.37, 3.84, 57.64 ppm; 4.63 A): 3 out of 4 assignments used, quality = 0.82: * H ILE 80 + HA LEU 77 OK 64 100 - 64 - 4.7/6110=20, 1659/3.6=15...(9) H SER 74 + HA LEU 77 OK 34 63 - 54 - ~6089=12, ~6087=12...(9) H VAL 115 + HA LEU 77 OK 25 99 - 25 - 1659/3.6=6, 7961=4...(9) H THR 95 - HA LEU 77 lone 3 71 - 4 - 1659/3.6=1 Peak 6108 from cnoeabs.peaks (1.92, 3.84, 57.64 ppm; 4.01 A): 8 out of 18 assignments used, quality = 0.88: * HB ILE 80 + HA LEU 77 OK 57 100 - 57 - 4.4/6110=15, 6109=12...(11) HB3 GLU 73 + HA LEU 77 OK 26 97 - 27 - ~6084=6, 4.2/6107=5...(8) HB2 ARG 81 + HA LEU 77 OK 23 93 - 24 - 4.0/6110=16, ~6133=2, 7347/4.0=2 HB ILE 22 + HA LEU 77 OK 16 95 - 17 - 5982=4, 4.4/1571=2...(5) HB2 GLU 38 + HA LEU 77 OK 13 85 - 16 - 3.8/3990=4, ~1653=2...(7) HB3 LYS 119 + HA LEU 77 OK 13 81 - 16 - 1.8/5201=2, 5211=1...(4) HB2 LEU 84 + HA LEU 77 OK 11 85 - 13 - 385/6110=1, 4239/3.0=1...(4) HB3 PRO 30 + HA LEU 77 OK 11 71 - 15 - 3.9/3990=3, 1.8/8340=3...(6) HB2 GLU 28 - HA LEU 77 poor 10 87 - 11 - 3.8/3990=3, 2310/3.0=2, ~7356=1 HB2 LEU 21 - HA LEU 77 lone 7 100 - 7 - 4.6/1565=2, 3.8/1558=1 HG LEU 58 - HA LEU 77 lone 5 97 - 5 - HB2 ARG 85 - HA LEU 77 lone 3 71 - 4 - HB3 ARG 85 - HA LEU 77 lone 3 71 - 4 - HB3 GLU 69 - HA LEU 77 lone 3 81 - 4 - 3.0/8340=1 HB2 LYS 109 - HA LEU 77 lone 3 92 - 3 - HB3 MET 11 - HA LEU 77 lone 2 99 - 2 - HB3 GLU 64 - HA LEU 77 lone 2 95 - 2 - HB2 GLU 64 - HA LEU 77 lone 2 92 - 2 - Peak 6109 from cnoeabs.peaks (3.84, 1.92, 39.17 ppm; 4.06 A): 5 out of 13 assignments used, quality = 0.94: * HA LEU 77 + HB ILE 80 OK 59 100 - 59 - 6110/4.4=16, 6108=14...(11) HA THR 116 + HB ILE 80 OK 42 99 - 43 - 7411/3.2=6, 7408/2.1=5...(16) HA THR 19 + HB ILE 80 OK 39 100 - 39 - 7411/3.2=5, 7408/2.1=5...(17) HA LYS 119 + HB ILE 80 OK 37 100 - 37 - 7411/3.2=5, 7408/2.1=5...(13) HA GLU 15 + HB ILE 80 OK 31 96 - 33 - 7408/2.1=4, 7411/3.2=4...(15) HA3 GLY 88 - HB ILE 80 lone 7 73 - 10 - 4.3/7563=2, ~6126=1, 1667/3.9=1 HA THR 33 - HB ILE 80 lone 6 76 - 8 - ~133=2, 7408/2.1=1 HA2 GLY 88 - HB ILE 80 lone 6 63 - 9 - 4.3/7563=2, ~6126=1 HB THR 33 - HB ILE 80 lone 4 73 - 6 - HB3 SER 29 - HB ILE 80 lone 3 71 - 5 - HB2 SER 29 - HB ILE 80 lone 3 68 - 4 - HB2 SER 35 - HB ILE 80 lone 3 85 - 3 - HA3 GLY 104 - HB ILE 80 lone 3 87 - 3 - Peak 6110 from cnoeabs.peaks (9.06, 3.84, 57.64 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.64: * H ARG 81 + HA LEU 77 OK 64 100 - 64 - 7342/4.0=26, 1673=16...(10) Peak 6114 from cnoeabs.peaks (4.17, 1.91, 29.62 ppm; 3.44 A): 4 out of 24 assignments used, quality = 0.67: HA GLU 56 + HB2 ARG 81 OK 30 100 - 30 - 8302/4.3=4, 3263/1.8=4...(10) * HA SER 78 + HB2 ARG 81 OK 27 100 - 27 - 8658/4.0=11, 7450=5...(5) HA PHE 83 + HB2 ARG 81 OK 26 83 - 31 - 3.0/7463=4, 7437/4.0=3...(14) HA GLU 28 + HB2 ARG 81 OK 13 97 - 13 - 2306=2, 7437/4.0=1...(5) HA ARG 92 - HB2 ARG 81 lone 7 87 - 8 - HA GLU 28 - HB3 GLU 73 lone 7 96 - 7 - 2306=1 HA ILE 124 - HB2 ARG 81 lone 5 65 - 7 - 8658/4.0=2, 7450=1 HA PRO 37 - HB3 GLU 73 lone 5 69 - 7 - 2.3/3920=1 HA PRO 37 - HB2 ARG 81 lone 4 71 - 6 - HA SER 78 - HB3 GLU 73 lone 4 99 - 4 - 8658/4112=1 HB3 SER 72 - HB3 GLU 73 lone 3 58 - 6 - 7281/4.2=6 HA PHE 83 - HB3 GLU 73 lone 3 81 - 4 - HA GLU 56 - HB3 GLU 73 lone 3 99 - 3 - HA3 GLY 61 - HB2 ARG 81 lone 3 68 - 4 - 3.6/5713=2 HB2 SER 113 - HB2 ARG 81 lone 3 92 - 3 - HA ILE 124 - HB3 GLU 73 lone 3 64 - 4 - 5935/4.2=1 HA ASN 108 - HB2 ARG 81 lone 3 71 - 4 - ~538=1 HB3 SER 72 - HB2 ARG 81 lone 2 60 - 4 - 4.5/3918=2 HA PRO 68 - HB2 ARG 81 lone 2 85 - 2 - HA3 GLY 61 - HB3 GLU 73 lone 1 66 - 2 - HB2 SER 113 - HB3 GLU 73 lone 1 90 - 1 - HA PRO 68 - HB3 GLU 73 lone 1 83 - 1 - HA ASN 108 - HB3 GLU 73 lone 1 69 - 1 - HA ARG 92 - HB3 GLU 73 lone 1 85 - 1 - Peak 6116 from cnoeabs.peaks (4.17, 2.05, 29.62 ppm; 4.25 A): 2 out of 36 assignments used, quality = 0.97: HA GLU 56 + HB2 GLU 56 OK 94 94 - 100 - 3.0=100 HA GLU 56 + HB3 ARG 81 OK 51 100 - 52 - 6114/1.8=9, 8302/4.3=6...(22) ! HA SER 78 - HB3 ARG 81 OK 39 100 - 39 - 8658/4.0=18, 7450/1.8=8...(7) HA PHE 83 - HB3 ARG 81 OK 35 83 - 43 - 6114/1.8=8, 1678/4.3=5...(13) HA PRO 68 - HB2 GLU 56 OK 26 75 - 35 - 3274/1.8=4, 1032/3.7=4...(15) HA PRO 37 - HB2 GLU 56 OK 26 61 - 42 - 3274/1.8=4, 2668=4...(19) HA3 GLY 61 - HB2 GLU 56 OK 23 59 - 40 - ~8301=14, 3.0/282=8...(10) HA GLU 28 - HB3 ARG 81 OK 17 97 - 17 - 6114/1.8=4, 7437/4.0=2...(5) HA ARG 92 - HB2 GLU 56 OK 16 77 - 20 - 3274/1.8=3, ~4425=2...(9) HA GLU 28 - HB2 GLU 56 OK 14 89 - 16 - 1032/3.7=2, 3274/1.8=2...(4) HA ARG 92 - HB3 ARG 81 OK 13 87 - 14 - 6114/1.8=2, 7437/4.0=1 HA SER 78 - HB2 GLU 56 lone 9 94 - 10 - 7449=2, 8658/4120=1 HB2 SER 113 - HB2 GLU 56 lone 8 82 - 10 - 5048/4.6=2, 3274/1.8=1 HA PRO 37 - HB3 ARG 81 poor 8 71 - 10 - 6114/1.8=1 HA PHE 83 - HB2 GLU 56 lone 7 73 - 10 - 1032/3.7=1 HA ILE 124 - HB3 ARG 81 poor 7 65 - 11 - 8658/4.0=3, 7450/1.8=2...(4) HA3 GLY 61 - HB3 ARG 81 lone 5 68 - 8 - 3.6/7098=4, 3.0/282=1 HB2 SER 113 - HB3 ARG 81 lone 4 92 - 5 - HA ILE 124 - HB2 GLU 56 lone 4 56 - 7 - HA ASN 108 - HB3 ARG 81 lone 4 71 - 6 - ~538=2, ~539=1 HA SER 78 - HB2 GLN 105 lone 4 38 - 9 - 7449=2, ~1655=1...(4) HA PRO 68 - HB3 ARG 81 lone 4 85 - 4 - HA ASN 108 - HB2 GLU 56 lone 2 61 - 3 - HA GLU 56 - HB2 GLN 105 lone 1 38 - 3 - HB3 SER 72 - HB3 ARG 81 lone 1 60 - 2 - HA ARG 92 - HB2 GLN 105 lone 1 29 - 3 - HA PRO 37 - HB2 GLN 105 lone 1 22 - 4 - HB3 SER 72 - HB2 GLU 56 lone 1 52 - 1 - HA GLU 28 - HB2 GLN 105 lone 1 35 - 2 - HB2 SER 113 - HB2 GLN 105 lone 1 31 - 2 - HA ASN 108 - HB2 GLN 105 lone 0 22 - 2 - HA PRO 68 - HB2 GLN 105 lone 0 28 - 2 - HA ILE 124 - HB2 GLN 105 lone 0 20 - 2 - HB3 SER 72 - HB2 GLN 105 lone 0 18 - 2 - HA PHE 83 - HB2 GLN 105 lone 0 27 - 1 - HA3 GLY 61 - HB2 GLN 105 lone 0 21 - 1 - Peak 6119 from cnoeabs.peaks (8.45, 4.55, 55.18 ppm; 4.26 A): 3 out of 4 assignments used, quality = 0.77: * H GLU 82 + HA ASN 79 OK 69 100 - 69 - 1669/3.5=18, 1171=15...(14) H ILE 63 + HA ASN 79 OK 16 98 - 16 - 1669/3.5=4, 5.0/7153=3...(4) H GLN 16 + HA ASN 79 OK 12 100 - 12 - 1669/3.5=5, 6125/4.9=3 H LEU 51 - HA ASN 79 poor 9 73 - 12 - 1669/3.5=3, 6125/4.9=3...(4) Peak 6120 from cnoeabs.peaks (2.34, 4.55, 55.18 ppm; 3.97 A): 3 out of 9 assignments used, quality = 0.87: * HB2 GLU 82 + HA ASN 79 OK 53 100 - 53 - 3.7/6119=15, 3.0/4185=6...(17) HB3 GLU 82 + HA ASN 79 OK 53 100 - 53 - 3.7/6119=15, 3.0/4185=6...(17) HG2 PRO 70 + HA ASN 79 OK 40 98 - 41 - ~7461=6, ~7255=5...(13) HB2 LEU 54 - HA ASN 79 lone 7 98 - 7 - 5622/4.4=4, 4.6/4049=1 HG3 GLU 56 - HA ASN 79 lone 3 73 - 5 - HB3 ASN 118 - HA ASN 79 lone 2 95 - 3 - HB VAL 18 - HA ASN 79 lone 2 87 - 2 - HG2 GLU 15 - HA ASN 79 lone 2 63 - 2 - HB3 PRO 60 - HA ASN 79 lone 1 83 - 2 - Peak 6121 from cnoeabs.peaks (4.55, 2.34, 28.65 ppm; 3.78 A): 4 out of 18 assignments used, quality = 1.00: HA GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 HA GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 * HA ASN 79 + HB2 GLU 82 OK 57 100 - 57 - 6122=14, 6119/3.7=14...(17) HA ASN 79 + HB3 GLU 82 OK 57 100 - 57 - 6120=14, 6119/3.7=14...(17) HA ASN 79 - HG2 PRO 70 OK 41 98 - 42 - 6120=11, ~7461=5...(13) HA GLU 82 - HG2 PRO 70 OK 30 98 - 31 - 4162=5, ~3834=3, ~3830=2...(16) HA LEU 27 - HB2 GLU 82 OK 12 97 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA LEU 27 - HB3 GLU 82 OK 12 97 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA ASN 99 - HB2 GLU 82 OK 10 97 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA ASN 99 - HB3 GLU 82 OK 10 97 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA THR 95 - HB3 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA THR 95 - HB2 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA ASN 99 - HG2 PRO 70 lone 6 94 - 6 - HA THR 95 - HG2 PRO 70 lone 4 98 - 4 - HB THR 121 - HB3 GLU 82 lone 3 93 - 3 - HB THR 121 - HB2 GLU 82 lone 3 93 - 3 - HA LEU 27 - HG2 PRO 70 lone 3 93 - 3 - HB THR 121 - HG2 PRO 70 lone 2 89 - 2 - Peak 6122 from cnoeabs.peaks (2.34, 4.55, 55.18 ppm; 3.97 A): 3 out of 9 assignments used, quality = 0.87: HB2 GLU 82 + HA ASN 79 OK 53 100 - 53 - 3.7/6119=15, 3.0/4185=6...(17) * HB3 GLU 82 + HA ASN 79 OK 53 100 - 53 - 3.7/6119=15, 3.0/4185=6...(17) HG2 PRO 70 + HA ASN 79 OK 40 98 - 41 - ~7461=6, ~7255=5...(13) HB2 LEU 54 - HA ASN 79 lone 7 98 - 7 - 5622/4.4=4, 4.6/4049=1 HG3 GLU 56 - HA ASN 79 lone 3 73 - 5 - HB3 ASN 118 - HA ASN 79 lone 2 95 - 3 - HB VAL 18 - HA ASN 79 lone 2 87 - 2 - HG2 GLU 15 - HA ASN 79 lone 2 63 - 2 - HB3 PRO 60 - HA ASN 79 lone 1 83 - 2 - Peak 6123 from cnoeabs.peaks (4.55, 2.34, 28.65 ppm; 3.78 A): 4 out of 18 assignments used, quality = 1.00: HA GLU 82 + HB2 GLU 82 OK 100 100 - 100 - 3.0=100 HA GLU 82 + HB3 GLU 82 OK 100 100 - 100 - 3.0=100 HA ASN 79 + HB2 GLU 82 OK 57 100 - 57 - 6122=14, 6119/3.7=14...(17) * HA ASN 79 + HB3 GLU 82 OK 57 100 - 57 - 6120=14, 6119/3.7=14...(17) HA ASN 79 - HG2 PRO 70 OK 41 98 - 42 - 6120=11, ~7461=5...(13) HA GLU 82 - HG2 PRO 70 OK 30 98 - 31 - 4162=5, ~3834=3, ~3830=2...(16) HA LEU 27 - HB2 GLU 82 OK 12 97 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA LEU 27 - HB3 GLU 82 OK 12 97 - 12 - 4179/3.0=2, 4185/3.0=2...(6) HA ASN 99 - HB2 GLU 82 OK 10 97 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA ASN 99 - HB3 GLU 82 OK 10 97 - 10 - 1683/4.3=2, 1677/3.7=2...(4) HA THR 95 - HB3 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA THR 95 - HB2 GLU 82 lone 10 100 - 10 - 1683/4.3=1, 1677/3.7=1 HA ASN 99 - HG2 PRO 70 lone 6 94 - 6 - HA THR 95 - HG2 PRO 70 lone 4 98 - 4 - HB THR 121 - HB3 GLU 82 lone 3 93 - 3 - HB THR 121 - HB2 GLU 82 lone 3 93 - 3 - HA LEU 27 - HG2 PRO 70 lone 3 93 - 3 - HB THR 121 - HG2 PRO 70 lone 2 89 - 2 - Peak 6124 from cnoeabs.peaks (7.84, 4.55, 55.18 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.99: H ASN 79 + HA ASN 79 OK 99 99 - 100 - 3.0=100 * H PHE 83 + HA ASN 79 OK 61 100 - 61 - 4.6/6119=12, 399=11...(15) HD21 ASN 99 - HA ASN 79 OK 38 85 - 45 - 672=6, 3.5/4627=6...(17) H GLY 88 - HA ASN 79 lone 8 93 - 9 - 377/3.5=2, 6126/4.9=2 H GLY 25 - HA ASN 79 lone 6 60 - 10 - 4.7/4049=1 Peak 6125 from cnoeabs.peaks (8.45, 3.64, 66.48 ppm; 4.71 A): 4 out of 4 assignments used, quality = 0.91: * H GLU 82 + HA ILE 80 OK 77 100 - 77 - 390/3.6=38, 1676/3.0=24...(14) H GLN 16 + HA ILE 80 OK 26 100 - 26 - 1669/3.0=7, 1484/3.6=5...(7) H LEU 51 + HA ILE 80 OK 26 73 - 35 - 4.8/7423=11, 4.8/7426=7...(7) H ILE 63 + HA ILE 80 OK 24 98 - 25 - 1484/3.6=8, 1669/3.0=5...(7) Peak 6126 from cnoeabs.peaks (7.84, 3.64, 66.48 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.94: * H PHE 83 + HA ILE 80 OK 81 100 - 82 - 1682=25, 1681/3.6=24...(16) H ASN 79 + HA ILE 80 OK 65 99 - 66 - 1664/3.6=25, 1482/3.0=23...(9) H GLY 88 - HA ILE 80 OK 16 93 - 17 - 377/3.0=2, 7430/3.6=2...(6) HD21 ASN 99 - HA ILE 80 OK 14 85 - 17 - 377/3.0=4, 4044/4.9=4...(5) H GLY 25 - HA ILE 80 lone 4 60 - 6 - 377/3.0=1 Peak 6127 from cnoeabs.peaks (3.52, 3.64, 66.48 ppm; 3.92 A): 4 out of 5 assignments used, quality = 0.78: * HB2 PHE 83 + HA ILE 80 OK 47 100 - 47 - 6128=12, 1.8/6130=12...(9) HB2 PHE 96 + HA ILE 80 OK 32 100 - 32 - 5.8/7389=9, ~7391=6...(7) HA LEU 84 + HA ILE 80 OK 27 90 - 30 - 2.9/1688=9, 3.9/7426=7...(9) HB3 SER 44 + HA ILE 80 OK 15 85 - 17 - 6027=4, 1.8/6025=4...(5) HB2 ASP 47 - HA ILE 80 lone 3 68 - 5 - 4.0/198=2, 7428/3.2=1 Peak 6128 from cnoeabs.peaks (3.64, 3.52, 38.12 ppm; 4.72 A): 4 out of 6 assignments used, quality = 0.86: * HA ILE 80 + HB2 PHE 83 OK 63 100 - 64 - 6127=19, 6130/1.8=17...(10) HA LEU 41 + HB2 PHE 83 OK 50 99 - 51 - 6130/1.8=13, 6026=9...(11) HA LYS 46 + HB2 PHE 83 OK 12 100 - 12 - 6130/1.8=3, 1688/4.5=2 HA VAL 115 + HB2 PHE 83 OK 11 85 - 13 - 6130/1.8=3, 1682/4.0=3...(6) HA LEU 111 - HB2 PHE 83 lone 6 60 - 9 - 1688/4.5=2, 6130/1.8=2 HD2 PRO 70 - HB2 PHE 83 lone 4 71 - 6 - 1682/4.0=2, 6130/1.8=1 Peak 6129 from cnoeabs.peaks (3.21, 3.64, 66.48 ppm; 5.11 A): 4 out of 6 assignments used, quality = 0.91: * HB3 PHE 83 + HA ILE 80 OK 74 100 - 74 - 6130=22, 1.8/6128=19...(14) HD2 ARG 81 + HA ILE 80 OK 50 99 - 51 - 4144/3.6=23, 3.5/4064=5...(17) HA GLN 42 + HA ILE 80 OK 26 100 - 26 - 3.0/169=6, 3.6/1595=4...(7) HD2 ARG 71 + HA ILE 80 OK 10 96 - 10 - 4144/3.6=4 HD3 ARG 71 - HA ILE 80 poor 8 76 - 11 - 4144/3.6=5 HB3 TRP 20 - HA ILE 80 lone 5 92 - 6 - Peak 6130 from cnoeabs.peaks (3.64, 3.21, 38.12 ppm; 4.76 A): 4 out of 6 assignments used, quality = 0.88: * HA ILE 80 + HB3 PHE 83 OK 68 100 - 69 - 6127/1.8=18, 6129=17...(12) HA LEU 41 + HB3 PHE 83 OK 51 99 - 51 - 6128/1.8=14, 8258/2.5=9...(12) HA LYS 46 + HB3 PHE 83 OK 13 100 - 13 - 6128/1.8=3, 1688/4.5=2 HA VAL 115 + HB3 PHE 83 OK 12 85 - 15 - 6128/1.8=3, 1682/4.0=3...(6) HA LEU 111 - HB3 PHE 83 poor 6 60 - 10 - 1688/4.5=2, 6128/1.8=2 HD2 PRO 70 - HB3 PHE 83 lone 5 71 - 7 - 1682/4.0=2, 6128/1.8=1 Peak 6131 from cnoeabs.peaks (8.49, 3.64, 66.48 ppm; 4.81 A): 6 out of 9 assignments used, quality = 0.94: * H LEU 84 + HA ILE 80 OK 68 100 - 68 - 1688=18, 4.6/1682=14...(14) H TYR 102 + HA ILE 80 OK 45 89 - 51 - 2.9/7746=11, 7736/3.2=11...(8) H LEU 77 + HA ILE 80 OK 33 93 - 35 - ~6107=10, 7394/4.1=6...(7) H GLU 28 + HA ILE 80 OK 25 100 - 25 - 4.3/7422=4, 7394/4.1=3...(7) H PHE 40 + HA ILE 80 OK 18 99 - 18 - 4.6/943=4, 7394/4.1=2...(7) H LYS 31 + HA ILE 80 OK 14 100 - 14 - 7394/4.1=3, 112/4.0=2...(5) H SER 13 - HA ILE 80 lone 6 100 - 6 - 7394/4.1=1 H GLU 38 - HA ILE 80 lone 4 71 - 6 - H GLY 2 - HA ILE 80 lone 3 99 - 3 - Peak 6133 from cnoeabs.peaks (8.49, 3.99, 60.41 ppm; 4.20 A): 3 out of 9 assignments used, quality = 0.86: * H LEU 84 + HA ARG 81 OK 79 100 - 79 - 1687=25, 4.0/6136=15...(16) H LEU 77 + HA ARG 81 OK 21 93 - 22 - ~6110=12, ~1673=4...(4) H GLU 28 + HA ARG 81 OK 18 100 - 18 - 99/4.9=2, 883/3.0=2...(7) H TYR 102 - HA ARG 81 lone 8 89 - 9 - 4.6/7435=2, 1733/4.9=2 H PHE 40 - HA ARG 81 lone 5 99 - 6 - H LYS 31 - HA ARG 81 lone 5 100 - 5 - H GLU 38 - HA ARG 81 lone 4 71 - 5 - H SER 13 - HA ARG 81 lone 3 100 - 3 - H GLY 2 - HA ARG 81 lone 2 99 - 2 - Peak 6134 from cnoeabs.peaks (1.90, 3.99, 60.41 ppm; 3.22 A): 3 out of 15 assignments used, quality = 1.00: HB2 ARG 81 + HA ARG 81 OK 100 100 - 100 - 3.0=100 * HB2 LEU 84 + HA ARG 81 OK 61 100 - 62 - 1.8/6136=13, 3.1/7434=8...(18) HG LEU 84 + HA ARG 81 OK 52 92 - 57 - 3.0/6136=11, 2.1/7433=10...(20) HB ILE 80 - HA ARG 81 OK 41 85 - 48 - 5740/2.9=16, 2.1/7409=8...(14) HB3 GLU 73 - HA ARG 81 OK 23 99 - 24 - 4112/2.9=5, 4113=4...(13) HB2 LYS 119 - HA ARG 81 OK 14 87 - 17 - 2.9/6136=3, 4.0/1788=2 HB ILE 22 - HA ARG 81 lone 10 99 - 10 - 4.4/6138=2, 5479/6138=1 HB2 GLU 28 - HA ARG 81 lone 10 100 - 10 - 3.8/6133=2 HB VAL 50 - HA ARG 81 lone 6 87 - 7 - ~7432=2 HB2 LEU 21 - HA ARG 81 lone 4 76 - 5 - HG LEU 55 - HA ARG 81 lone 3 85 - 4 - HB3 LYS 31 - HA ARG 81 lone 3 87 - 4 - HB2 ARG 92 - HA ARG 81 lone 3 65 - 4 - HB3 MET 11 - HA ARG 81 lone 2 95 - 2 - HG LEU 58 - HA ARG 81 lone 2 60 - 3 - Peak 6135 from cnoeabs.peaks (3.99, 1.90, 41.31 ppm; 4.45 A): 4 out of 10 assignments used, quality = 0.95: * HA ARG 81 + HB2 LEU 84 OK 85 100 - 85 - 6136/1.8=25, 7434/3.1=16...(28) HA THR 62 + HB2 LEU 84 OK 33 100 - 33 - 6137/1.8=6, 1687/4.0=5...(11) HA PHE 107 + HB2 LEU 84 OK 29 93 - 31 - 7810/3.1=9, 6137/1.8=6...(8) HA LEU 117 + HB2 LEU 84 OK 28 100 - 28 - 6137/1.8=5, 7489/3.1=5...(8) HA ALA 14 - HB2 LEU 84 OK 18 60 - 29 - 6137/1.8=4, ~6306=4...(11) HA THR 62 - HB2 LEU 21 poor 7 64 - 11 - 3486/4.6=2, ~7112=1 HA ARG 81 - HB2 LEU 21 poor 7 64 - 10 - HA LEU 117 - HB2 LEU 21 lone 4 63 - 6 - HA PHE 107 - HB2 LEU 21 lone 2 55 - 3 - HA ALA 14 - HB2 LEU 21 lone 1 31 - 5 - Peak 6136 from cnoeabs.peaks (1.31, 3.99, 60.41 ppm; 4.12 A): 3 out of 9 assignments used, quality = 0.83: * HB3 LEU 84 + HA ARG 81 OK 77 100 - 77 - 6137=17, 3.1/7434=14...(20) HG3 LYS 119 + HA ARG 81 OK 20 97 - 20 - 4.9/1788=4, 3.0/4109=2...(5) QG2 THR 23 + HA ARG 81 OK 12 99 - 12 - 4.0/6138=4, 2190/6138=2 HG CYS 87 - HA ARG 81 lone 7 100 - 7 - 1186/6133=1, 4263/7434=1 QG2 THR 17 - HA ARG 81 lone 5 85 - 6 - HG2 LYS 46 - HA ARG 81 lone 3 85 - 4 - HG3 LYS 46 - HA ARG 81 lone 3 85 - 4 - HG LEU 54 - HA ARG 81 lone 2 60 - 4 - QB ALA 43 - HA ARG 81 lone 2 73 - 2 - Peak 6137 from cnoeabs.peaks (3.99, 1.31, 41.31 ppm; 4.47 A): 4 out of 5 assignments used, quality = 0.94: * HA ARG 81 + HB3 LEU 84 OK 84 100 - 84 - 6136=29, 7434/3.1=16...(21) HA THR 62 + HB3 LEU 84 OK 31 100 - 31 - 6135/1.8=6, 1687/4.0=5...(10) HA PHE 107 + HB3 LEU 84 OK 27 93 - 29 - 7810/3.1=10, 6135/1.8=5...(7) HA LEU 117 + HB3 LEU 84 OK 27 100 - 27 - 6135/1.8=5, 7489/3.1=5...(8) HA ALA 14 - HB3 LEU 84 OK 20 60 - 33 - 6295=5, 2.1/6306=4...(12) Peak 6138 from cnoeabs.peaks (8.75, 3.99, 60.41 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.82: * H ARG 85 + HA ARG 81 OK 72 100 - 72 - 1693=25, 4.3/6136=18...(11) H THR 23 + HA ARG 81 OK 23 100 - 23 - 6140/4.9=4, 5765/6136=3...(11) H GLU 15 + HA ARG 81 OK 17 76 - 22 - 1430/3.6=6, 6140/4.9=5...(6) Peak 6140 from cnoeabs.peaks (8.75, 4.54, 58.64 ppm; 4.33 A): 3 out of 3 assignments used, quality = 0.73: * H ARG 85 + HA GLU 82 OK 61 100 - 62 - 1692=24, 1684/3.6=13...(8) H GLU 15 + HA GLU 82 OK 17 76 - 23 - 1430/2.9=5, 1684/3.6=3...(7) H THR 23 + HA GLU 82 OK 15 100 - 15 - 1684/3.6=6, 6138/4.9=4 Peak 6141 from cnoeabs.peaks (1.95, 4.54, 58.64 ppm; 3.80 A): 3 out of 15 assignments used, quality = 0.61: * HB2 ARG 85 + HA GLU 82 OK 31 100 - 31 - 4.0/6140=13, 4.7/6145=9...(5) HB3 ARG 85 + HA GLU 82 OK 31 100 - 31 - 4.0/6140=13, 4.7/6145=9...(5) HB ILE 80 + HA GLU 82 OK 18 71 - 25 - ~6125=5, 4.4/1670=4...(8) HB2 GLU 64 - HA GLU 82 lone 9 97 - 9 - 8515/4.1=3, 8516/4.1=2 HB3 GLU 64 - HA GLU 82 lone 9 96 - 9 - 8515/4.1=3, 8516/4.1=2 HB3 GLU 94 - HA GLU 82 lone 5 99 - 5 - 4.7/1244=1, 4.0/6145=1 HB2 GLU 38 - HA GLU 82 lone 4 99 - 4 - HG LEU 58 - HA GLU 82 lone 4 92 - 4 - HB2 LYS 109 - HA GLU 82 lone 4 97 - 4 - HB2 LEU 21 - HA GLU 82 lone 3 81 - 4 - HB3 LYS 119 - HA GLU 82 lone 2 100 - 2 - HB3 PRO 30 - HA GLU 82 lone 2 100 - 2 - HG LEU 45 - HA GLU 82 lone 2 73 - 2 - HB3 GLU 69 - HA GLU 82 lone 1 100 - 1 - HB2 ARG 71 - HA GLU 82 lone 1 68 - 1 - Peak 6142 from cnoeabs.peaks (4.54, 1.95, 29.17 ppm; 5.07 A): 5 out of 24 assignments used, quality = 0.95: * HA GLU 82 + HB2 ARG 85 OK 57 100 - 57 - 6140/4.0=22, 6145/4.7=17...(6) HA GLU 82 + HB3 ARG 85 OK 57 100 - 57 - 6140/4.0=22, 6145/4.7=17...(6) HA THR 95 + HB3 GLU 94 OK 46 57 - 81 - ~5808=22, ~5807=22...(10) HA LEU 27 + HB2 ARG 85 OK 27 98 - 27 - 1698/4.7=6, 1692/4.0=6...(10) HA LEU 27 + HB3 ARG 85 OK 27 98 - 27 - 1698/4.7=6, 1692/4.0=6...(10) HA THR 95 - HB2 ARG 85 OK 19 100 - 19 - 1692/4.0=3, 3.0/468=3...(7) HA THR 95 - HB3 ARG 85 OK 19 100 - 19 - 1692/4.0=3, 3.0/468=3...(7) HA ASN 79 - HB2 ARG 85 OK 18 100 - 18 - 1692/4.0=4, 1698/4.7=3...(6) HA ASN 79 - HB3 ARG 85 OK 18 100 - 18 - 1692/4.0=4, 1698/4.7=3...(6) HA ASN 99 - HB2 ARG 85 OK 17 96 - 17 - 8745/5.0=5, 6180/3.9=3...(4) HA ASN 99 - HB3 ARG 85 OK 17 96 - 17 - 8745/5.0=5, 6180/3.9=3...(4) HA LEU 27 - HB2 GLU 38 OK 14 97 - 14 - ~6722=5, 5499/3.8=2...(5) HA ASN 79 - HB2 GLU 38 OK 12 99 - 12 - 4049/4.4=4, 4.4/5549=2 HA GLU 82 - HB2 GLU 38 lone 9 99 - 9 - 6143=2 HA ASN 79 - HB3 GLU 94 poor 8 57 - 13 - 1244/4.7=7, ~7374=2 HA THR 95 - HB2 GLU 38 lone 7 99 - 8 - 3.0/468=2, ~469=1 HA GLU 82 - HB3 GLU 94 lone 6 58 - 10 - 6145/4.0=2, 1244/4.7=2, 6141=2 HB THR 121 - HB2 ARG 85 lone 4 90 - 4 - HB THR 121 - HB3 ARG 85 lone 4 90 - 4 - HA ASN 99 - HB2 GLU 38 lone 4 94 - 4 - HA ASN 99 - HB3 GLU 94 lone 3 51 - 5 - 1244/4.7=1 HA LEU 27 - HB3 GLU 94 lone 2 54 - 4 - 1244/4.7=1 HB THR 121 - HB3 GLU 94 lone 2 47 - 4 - ~8091=1 HB THR 121 - HB2 GLU 38 lone 2 88 - 2 - Peak 6143 from cnoeabs.peaks (1.95, 4.54, 58.64 ppm; 3.80 A): 3 out of 15 assignments used, quality = 0.61: HB2 ARG 85 + HA GLU 82 OK 31 100 - 31 - 4.0/6140=13, 4.7/6145=9...(5) * HB3 ARG 85 + HA GLU 82 OK 31 100 - 31 - 4.0/6140=13, 4.7/6145=9...(5) HB ILE 80 + HA GLU 82 OK 18 71 - 25 - ~6125=5, 4.4/1670=4...(8) HB2 GLU 64 - HA GLU 82 lone 9 97 - 9 - 8515/4.1=3, 8516/4.1=2 HB3 GLU 64 - HA GLU 82 lone 9 96 - 9 - 8515/4.1=3, 8516/4.1=2 HB3 GLU 94 - HA GLU 82 lone 5 99 - 5 - 4.7/1244=1, 4.0/6145=1 HB2 GLU 38 - HA GLU 82 lone 4 99 - 4 - HG LEU 58 - HA GLU 82 lone 4 92 - 4 - HB2 LYS 109 - HA GLU 82 lone 4 97 - 4 - HB2 LEU 21 - HA GLU 82 lone 3 81 - 4 - HB3 LYS 119 - HA GLU 82 lone 2 100 - 2 - HB3 PRO 30 - HA GLU 82 lone 2 100 - 2 - HG LEU 45 - HA GLU 82 lone 2 73 - 2 - HB3 GLU 69 - HA GLU 82 lone 1 100 - 1 - HB2 ARG 71 - HA GLU 82 lone 1 68 - 1 - Peak 6144 from cnoeabs.peaks (4.54, 1.95, 29.17 ppm; 5.07 A): 5 out of 24 assignments used, quality = 0.95: HA GLU 82 + HB2 ARG 85 OK 57 100 - 57 - 6140/4.0=22, 6145/4.7=17...(6) * HA GLU 82 + HB3 ARG 85 OK 57 100 - 57 - 6140/4.0=22, 6145/4.7=17...(6) HA THR 95 + HB3 GLU 94 OK 46 57 - 81 - ~5808=22, ~5807=22...(10) HA LEU 27 + HB2 ARG 85 OK 27 98 - 27 - 1698/4.7=6, 1692/4.0=6...(10) HA LEU 27 + HB3 ARG 85 OK 27 98 - 27 - 1698/4.7=6, 1692/4.0=6...(10) HA THR 95 - HB2 ARG 85 OK 19 100 - 19 - 1692/4.0=3, 3.0/468=3...(7) HA THR 95 - HB3 ARG 85 OK 19 100 - 19 - 1692/4.0=3, 3.0/468=3...(7) HA ASN 79 - HB2 ARG 85 OK 18 100 - 18 - 1692/4.0=4, 1698/4.7=3...(6) HA ASN 79 - HB3 ARG 85 OK 18 100 - 18 - 1692/4.0=4, 1698/4.7=3...(6) HA ASN 99 - HB2 ARG 85 OK 17 96 - 17 - 8745/5.0=5, 6180/3.9=3...(4) HA ASN 99 - HB3 ARG 85 OK 17 96 - 17 - 8745/5.0=5, 6180/3.9=3...(4) HA LEU 27 - HB2 GLU 38 OK 14 97 - 14 - ~6722=5, 5499/3.8=2...(5) HA ASN 79 - HB2 GLU 38 OK 12 99 - 12 - 4049/4.4=4, 4.4/5549=2 HA GLU 82 - HB2 GLU 38 lone 9 99 - 9 - 6143=2 HA ASN 79 - HB3 GLU 94 poor 8 57 - 13 - 1244/4.7=7, ~7374=2 HA THR 95 - HB2 GLU 38 lone 7 99 - 8 - 3.0/468=2, ~469=1 HA GLU 82 - HB3 GLU 94 lone 6 58 - 10 - 6145/4.0=2, 1244/4.7=2, 6141=2 HB THR 121 - HB2 ARG 85 lone 4 90 - 4 - HB THR 121 - HB3 ARG 85 lone 4 90 - 4 - HA ASN 99 - HB2 GLU 38 lone 4 94 - 4 - HA ASN 99 - HB3 GLU 94 lone 3 51 - 5 - 1244/4.7=1 HA LEU 27 - HB3 GLU 94 lone 2 54 - 4 - 1244/4.7=1 HB THR 121 - HB3 GLU 94 lone 2 47 - 4 - ~8091=1 HB THR 121 - HB2 GLU 38 lone 2 88 - 2 - Peak 6145 from cnoeabs.peaks (8.56, 4.54, 58.64 ppm; 4.94 A): 1 out of 6 assignments used, quality = 0.57: * H GLY 86 + HA GLU 82 OK 57 100 - 57 - 1698=24, 4.7/6140=18...(7) H ARG 53 - HA GLU 82 lone 7 90 - 8 - 1619/2.9=2, 7126/7153=2 H GLU 94 - HA GLU 82 lone 7 83 - 8 - 4.6/1244=2, 4.0/6143=1 H VAL 18 - HA GLU 82 lone 7 65 - 10 - 4.0/8748=1 H LEU 41 - HA GLU 82 lone 6 87 - 7 - 1488/6140=2, 1689/1685=1 H ILE 34 - HA GLU 82 lone 2 63 - 3 - Peak 6147 from cnoeabs.peaks (8.56, 4.15, 61.33 ppm; 5.18 A): 4 out of 6 assignments used, quality = 0.87: * H GLY 86 + HA PHE 83 OK 63 100 - 63 - 4.6/6148=19, 1689/3.6=17...(9) H LEU 41 + HA PHE 83 OK 54 87 - 62 - 1689/3.6=12, 1587=10...(13) H GLU 94 + HA PHE 83 OK 14 83 - 16 - 1689/3.6=4, 4.6/4196=3...(4) H ARG 53 + HA PHE 83 OK 12 90 - 13 - 1689/3.6=3, 426/6148=1 H VAL 18 - HA PHE 83 poor 8 65 - 12 - 4.0/8392=3, 1689/3.6=3 H ILE 34 - HA PHE 83 lone 6 63 - 9 - 5.0/6643=3, 4.0/6642=3 Peak 6148 from cnoeabs.peaks (8.30, 4.15, 61.33 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.48: * H CYS 87 + HA PHE 83 OK 41 100 - 41 - 1490/3.0=10, 1703=9...(8) H ILE 22 + HA PHE 83 OK 12 100 - 12 - 4.0/8355=3, 5.0/8354=3 H THR 62 - HA PHE 83 poor 9 76 - 12 - 4.0/7109=3, 4.6/1067=3 H GLY 125 - HA PHE 83 lone 7 85 - 8 - 4.4/8355=2, 638=1...(4) H TRP 20 - HA PHE 83 lone 3 65 - 5 - Peak 6149 from cnoeabs.peaks (8.56, 3.50, 57.68 ppm; 5.79 A): 5 out of 6 assignments used, quality = 0.93: * H GLY 86 + HA LEU 84 OK 70 100 - 70 - 418/3.6=30, 1695=21...(9) H LEU 41 + HA LEU 84 OK 43 87 - 49 - 1689/2.9=15, ~1688=8...(12) H VAL 18 + HA LEU 84 OK 29 65 - 45 - 4.4/6340=8, 4.0/7485=6...(16) H GLU 94 + HA LEU 84 OK 28 83 - 34 - 4.6/7475=7, 1689/2.9=5...(11) H ARG 53 + HA LEU 84 OK 21 90 - 23 - 1689/2.9=4, 4.4/6153=3...(7) H ILE 34 - HA LEU 84 lone 6 63 - 10 - 5769/4.8=2, 1488/3.6=2 Peak 6150 from cnoeabs.peaks (8.30, 3.50, 57.68 ppm; 4.53 A): 3 out of 5 assignments used, quality = 0.94: * H CYS 87 + HA LEU 84 OK 85 100 - 85 - 3.6/6153=28, 1702=23...(16) H ILE 22 + HA LEU 84 OK 53 100 - 53 - 1437/3.6=12, 1566=8...(17) H THR 62 + HA LEU 84 OK 14 76 - 18 - ~1687=3, ~6137=3...(5) H TRP 20 - HA LEU 84 poor 9 65 - 14 - 4.7/1560=4, 1694/3.6=2...(4) H GLY 125 - HA LEU 84 lone 8 85 - 9 - 4.4/7485=2, 6156/4.8=1 Peak 6151 from cnoeabs.peaks (2.27, 3.50, 57.68 ppm; 4.55 A): 1 out of 11 assignments used, quality = 0.83: * HB2 CYS 87 + HA LEU 84 OK 83 100 - 83 - 1.8/6153=39, 6152=27...(14) HG3 GLU 94 - HA LEU 84 lone 7 100 - 7 - 4.9/6149=2, 8530/7485=1 HG3 GLU 15 - HA LEU 84 lone 5 87 - 6 - 4.6/5763=2, 1928/3.6=2 HB VAL 120 - HA LEU 84 lone 5 60 - 8 - ~8058=1, ~8043=1 HG3 GLU 38 - HA LEU 84 lone 3 63 - 5 - HG2 GLU 38 - HA LEU 84 lone 3 60 - 5 - HG2 GLU 94 - HA LEU 84 lone 3 57 - 5 - 4.9/6149=2 HG2 GLU 56 - HA LEU 84 lone 3 76 - 4 - 7025/3.9=1 HB2 PRO 70 - HA LEU 84 lone 2 71 - 3 - HG3 GLN 105 - HA LEU 84 lone 2 95 - 2 - HG2 GLN 105 - HA LEU 84 lone 2 93 - 2 - Peak 6152 from cnoeabs.peaks (3.50, 2.27, 26.74 ppm; 4.44 A): 4 out of 5 assignments used, quality = 0.92: * HA LEU 84 + HB2 CYS 87 OK 84 100 - 84 - 6153/1.8=38, 6151=33...(14) HB2 PHE 83 + HB2 CYS 87 OK 28 90 - 31 - 6154/1.8=8, 1702/3.6=7...(7) HB2 PHE 96 + HB2 CYS 87 OK 19 92 - 21 - 6154/1.8=5, 5.8/7520=4...(6) HA VAL 18 + HB2 CYS 87 OK 15 81 - 18 - 5978/3.6=5, 6154/1.8=4...(6) HB3 SER 44 - HB2 CYS 87 lone 8 100 - 8 - 6154/1.8=2, 1702/3.6=2 Peak 6153 from cnoeabs.peaks (2.46, 3.50, 57.68 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.77: * HB3 CYS 87 + HA LEU 84 OK 77 100 - 78 - 6154=28, 1.8/6151=24...(13) HB2 CYS 52 - HA LEU 84 lone 7 90 - 8 - 4.4/6149=2, 6950/3.9=1 Peak 6154 from cnoeabs.peaks (3.50, 2.46, 26.74 ppm; 4.21 A): 4 out of 5 assignments used, quality = 0.91: * HA LEU 84 + HB3 CYS 87 OK 83 100 - 83 - 6153=45, 6151/1.8=24...(13) HB2 PHE 83 + HB3 CYS 87 OK 27 90 - 30 - 1702/3.6=7, 6152/1.8=6...(7) HB2 PHE 96 + HB3 CYS 87 OK 18 92 - 19 - 6152/1.8=4, 7628/8529=4...(6) HA VAL 18 + HB3 CYS 87 OK 13 81 - 17 - 5978/3.6=4, 6152/1.8=3...(6) HB3 SER 44 - HB3 CYS 87 lone 8 100 - 8 - 6152/1.8=2, 1702/3.6=2 Peak 6155 from cnoeabs.peaks (7.86, 3.50, 57.68 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.95: * H GLY 88 + HA LEU 84 OK 81 100 - 81 - 4.2/6153=29, 1709=24...(14) H PHE 83 + HA LEU 84 OK 73 93 - 78 - 1486/2.9=22, 1684/3.6=16...(17) H ASN 79 - HA LEU 84 OK 21 78 - 27 - 404/2.9=8, 1691/3.6=5...(6) H ASP 36 - HA LEU 84 lone 4 87 - 4 - ~6659=1 Peak 6156 from cnoeabs.peaks (8.30, 3.93, 58.86 ppm; 5.15 A): 4 out of 5 assignments used, quality = 0.90: * H CYS 87 + HA ARG 85 OK 71 100 - 71 - 426/3.6=23, 1701/3.0=19...(13) H ILE 22 + HA ARG 85 OK 53 100 - 53 - 1437/3.0=15, 4.6/4274=11...(12) H THR 62 + HA ARG 85 OK 21 76 - 27 - 1489/3.6=6, ~1693=4...(9) H GLY 125 + HA ARG 85 OK 10 85 - 12 - 1489/3.6=2, 1694/3.0=2...(4) H TRP 20 - HA ARG 85 poor 10 65 - 15 - ~5985=4, 1694/3.0=3...(5) Peak 6157 from cnoeabs.peaks (7.86, 3.93, 58.86 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.69: * H GLY 88 + HA ARG 85 OK 51 100 - 51 - 1708=23, 1699/3.6=12...(6) H PHE 83 + HA ARG 85 OK 28 93 - 30 - 1684/3.0=13, 1699/3.6=9...(4) H ASN 79 + HA ARG 85 OK 13 78 - 16 - 1691/3.0=4, 1699/3.6=3...(7) H ASP 36 - HA ARG 85 lone 2 87 - 3 - Peak 6158 from cnoeabs.peaks (7.96, 3.93, 58.86 ppm; 4.60 A): 5 out of 6 assignments used, quality = 0.82: HE ARG 85 + HA ARG 85 OK 55 71 - 77 - 6.5=36, 2.9/4281=21...(10) * H ALA 89 + HA ARG 85 OK 30 100 - 30 - 4.6/6157=14, 1715=8...(6) H SER 44 + HA ARG 85 OK 20 98 - 20 - 184=4, 963/4.8=3...(9) H LEU 114 + HA ARG 85 OK 19 92 - 20 - 1715=5, 7516/3.6=3...(6) H ARG 92 + HA ARG 85 OK 13 100 - 13 - 7497/4.1=2, 7516/3.6=2...(6) H VAL 66 - HA ARG 85 lone 7 100 - 7 - Peak 6161 from cnoeabs.peaks (1.44, 3.40, 47.05 ppm; 4.62 A): 6 out of 17 assignments used, quality = 0.89: * QB ALA 89 + HA2 GLY 86 OK 70 100 - 71 - 6162=26, 7561/1.8=17...(11) HB2 LEU 93 + HA2 GLY 86 OK 24 71 - 34 - 3.1/7511=6, ~7515=4...(12) HB3 LEU 91 + HA2 GLY 86 OK 23 97 - 24 - 7512/1.8=7, 7524/3.6=5...(8) HG LEU 24 + HA2 GLY 86 OK 16 97 - 16 - 7512/1.8=3, 7505/3.0=2...(8) HB2 LEU 51 + HA2 GLY 86 OK 14 83 - 17 - 3.9/220=3, 4.6/1614=3...(8) QB ALA 98 + HA2 GLY 86 OK 10 89 - 12 - 6162=3, 7512/1.8=2...(5) HD3 LYS 65 - HA2 GLY 86 lone 9 100 - 9 - 7512/1.8=2, ~7512=1...(4) HD2 LYS 65 - HA2 GLY 86 lone 9 100 - 9 - 7512/1.8=2, ~7512=1...(4) HB3 LEU 101 - HA2 GLY 86 lone 8 100 - 8 - 7512/1.8=2, 7505/3.0=1 HB3 LEU 45 - HA2 GLY 86 lone 6 97 - 6 - 7512/1.8=1 QB ALA 14 - HA2 GLY 86 lone 5 71 - 8 - ~5954=2, 7505/3.0=2 HG2 LYS 119 - HA2 GLY 86 lone 5 83 - 6 - 7524/3.6=1, 7505/3.0=1 HD2 LYS 46 - HA2 GLY 86 lone 5 87 - 6 - 7524/3.6=1 HB3 GLU 75 - HA2 GLY 86 lone 5 97 - 5 - 7512/1.8=1 HG3 LYS 31 - HA2 GLY 86 lone 3 76 - 4 - QB ALA 122 - HA2 GLY 86 lone 3 65 - 4 - 6162=1 HG3 ARG 57 - HA2 GLY 86 lone 3 65 - 4 - Peak 6162 from cnoeabs.peaks (3.40, 1.44, 18.69 ppm; 4.59 A): 2 out of 12 assignments used, quality = 0.69: * HA2 GLY 86 + QB ALA 89 OK 65 100 - 66 - 1.8/7561=17, 6161=16...(11) HA VAL 50 + QB ALA 89 OK 10 85 - 12 - 1720/3.6=3, 1705/4.8=2 HA VAL 50 - QB ALA 98 poor 10 50 - 19 - ~7674=4, 3.2/7667=3...(6) HD2 PRO 37 - QB ALA 89 lone 7 76 - 10 - 1705/4.8=2, 1720/3.6=2 HD2 PRO 37 - QB ALA 98 poor 7 43 - 17 - ~6700=3, ~6701=2...(8) HA2 GLY 86 - QB ALA 98 poor 7 67 - 11 - 6161=2, 1.8/7512=2...(5) HA LEU 21 - QB ALA 89 poor 7 65 - 11 - 1705/4.8=2, 1720/3.6=2 HA VAL 50 - QB ALA 122 lone 3 47 - 6 - ~8097=2, 3.6/1000=1 HA2 GLY 86 - QB ALA 122 lone 2 63 - 4 - HA LEU 21 - QB ALA 98 lone 2 36 - 7 - 3.7/8197=1 HA LEU 21 - QB ALA 122 lone 1 34 - 3 - HD2 PRO 37 - QB ALA 122 lone 0 40 - 1 - Peak 6164 from cnoeabs.peaks (7.96, 3.76, 63.81 ppm; 4.56 A): 5 out of 6 assignments used, quality = 0.93: * H ALA 89 + HA CYS 87 OK 73 100 - 73 - 433/3.6=23, 1711=15...(13) H ARG 92 + HA CYS 87 OK 55 100 - 55 - 4.6/7518=12, 4.2/7530=9...(14) H LEU 114 + HA CYS 87 OK 28 92 - 31 - 1712/3.0=6, 433/3.6=6...(6) H VAL 66 + HA CYS 87 OK 14 100 - 14 - 4.0/7530=3, 1491/3.6=2 H SER 44 + HA CYS 87 OK 11 98 - 11 - 1704/3.0=3, 1491/3.6=2 HE ARG 85 - HA CYS 87 lone 6 71 - 9 - 1704/3.0=3, 1491/3.6=2...(4) Peak 6165 from cnoeabs.peaks (7.72, 3.76, 63.81 ppm; 4.11 A): 4 out of 7 assignments used, quality = 0.82: * H SER 90 + HA CYS 87 OK 59 100 - 59 - 1718/3.6=21, 1719=17...(12) H LEU 91 + HA CYS 87 OK 40 73 - 55 - 4.6/1719=8, 4.4/6166=8...(13) H LEU 58 + HA CYS 87 OK 16 100 - 16 - 7069=4, 1710/3.6=2...(5) H LEU 126 + HA CYS 87 OK 11 100 - 11 - 644/3.0=3, 1710/3.6=2...(4) H ASN 118 - HA CYS 87 lone 9 93 - 9 - 1710/3.6=1, 7519/3.0=1 H LEU 111 - HA CYS 87 poor 8 76 - 11 - 4.7/7900=3, 4.7/7535=2 HE21 GLN 103 - HA CYS 87 lone 2 95 - 2 - Peak 6166 from cnoeabs.peaks (3.80, 3.76, 63.81 ppm; 2.40 A): 3 out of 10 assignments used, quality = 0.53: HA2 GLY 88 + HA CYS 87 OK 24 96 - 26 - 3.0/430=9, ~432=3...(9) HA3 GLY 88 + HA CYS 87 OK 23 90 - 25 - 3.0/430=9, ~432=3...(9) * HB2 SER 90 + HA CYS 87 OK 20 100 - 20 - 6167=9, 3.8/1719=3...(6) HA3 GLY 39 - HA CYS 87 lone 2 98 - 2 - HA2 GLY 61 - HA CYS 87 lone 1 100 - 1 - HB2 SER 74 - HA CYS 87 lone 1 89 - 1 - HB2 SER 29 - HA CYS 87 lone 1 93 - 1 - HB3 SER 74 - HA CYS 87 lone 1 87 - 1 - HB3 SER 29 - HA CYS 87 lone 1 92 - 1 - HB2 SER 72 - HA CYS 87 lone 1 76 - 1 - Peak 6167 from cnoeabs.peaks (3.76, 3.80, 64.49 ppm; 2.66 A): 2 out of 11 assignments used, quality = 0.81: HB3 SER 90 + HB2 SER 90 OK 73 73 - 100 - 1.8=100 * HA CYS 87 + HB2 SER 90 OK 27 100 - 27 - 6166=13, 1719/3.8=4...(7) HA GLU 38 - HB2 SER 90 lone 3 100 - 3 - HD2 PRO 30 - HB2 SER 90 lone 3 98 - 3 - HA LEU 54 - HB2 SER 90 lone 2 97 - 2 - HA GLU 73 - HB2 SER 90 lone 2 93 - 2 - HB3 SER 35 - HB2 SER 90 lone 2 100 - 2 - HB3 SER 13 - HB2 SER 90 lone 1 99 - 1 - HB3 SER 74 - HB2 SER 90 lone 1 73 - 1 - HB2 SER 74 - HB2 SER 90 lone 1 71 - 1 - HB2 SER 72 - HB2 SER 90 lone 1 85 - 1 - Peak 6168 from cnoeabs.peaks (3.73, 3.76, 63.81 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HA CYS 87 + HA CYS 87 OK 73 73 - 100 Reference assignment not found: HB3 SER 90 - HA CYS 87 Peak 6169 from cnoeabs.peaks (3.76, 3.73, 64.49 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HB3 SER 90 + HB3 SER 90 OK 73 73 - 100 Reference assignment not found: HA CYS 87 - HB3 SER 90 Peak 6170 from cnoeabs.peaks (7.72, 3.81, 46.68 ppm; 5.21 A): 2 out of 21 assignments used, quality = 0.96: * H SER 90 + HA2 GLY 88 OK 79 100 - 79 - 1718/3.0=35, 436/3.6=21...(12) H SER 90 + HA3 GLY 88 OK 79 100 - 79 - 1718/3.0=35, 436/3.6=21...(12) H LEU 91 - HA2 GLY 88 OK 41 73 - 56 - 1710/3.0=10, 1494/3.6=9...(13) H LEU 91 - HA3 GLY 88 OK 40 73 - 55 - 1710/3.0=10, 1494/3.6=9...(13) H ASN 118 - HA3 GLY 88 OK 13 93 - 14 - 1710/3.0=3, 1783=2...(5) H ASN 118 - HA2 GLY 88 OK 13 93 - 14 - 1710/3.0=3, 1783/1.8=2...(5) H LEU 58 - HA2 GLY 88 OK 11 100 - 11 - 1710/3.0=3, 5784/4.3=2 H LEU 58 - HA3 GLY 88 OK 11 100 - 11 - 1710/3.0=3, 5784/4.3=2 H LEU 126 - HA2 GLY 88 OK 11 100 - 10 - 1710/3.0=4, 1492/3.6=1 H LEU 126 - HA3 GLY 88 OK 10 100 - 10 - 1710/3.0=4, 1492/3.6=1 H LEU 111 - HA2 GLY 88 lone 6 76 - 7 - 1710/3.0=2, 1492/3.6=2 H LEU 111 - HA3 GLY 88 lone 6 75 - 7 - 1710/3.0=2, 1492/3.6=2 H SER 90 - HA3 GLY 39 lone 3 59 - 5 - HE21 GLN 103 - HA2 GLY 88 lone 3 95 - 3 - HE21 GLN 103 - HA3 GLY 88 lone 3 94 - 3 - H ASN 118 - HA3 GLY 39 lone 3 50 - 5 - 1785/1.8=2 H LEU 111 - HA3 GLY 39 lone 3 38 - 7 - 1338/1.8=2 H LEU 91 - HA3 GLY 39 lone 2 36 - 5 - H LEU 126 - HA3 GLY 39 lone 1 59 - 2 - H LEU 58 - HA3 GLY 39 lone 1 59 - 2 - HE21 GLN 103 - HA3 GLY 39 lone 1 51 - 1 - Peak 6172 from cnoeabs.peaks (6.97, 4.13, 56.52 ppm; 4.66 A): 3 out of 12 assignments used, quality = 1.00: HD22 ASN 108 + HA ASN 108 OK 98 98 - 100 - 4.3=100 * H LEU 101 + HA ALA 98 OK 58 100 - 58 - 1728/3.6=21, 1729=12...(15) H LEU 101 + HA ASN 108 OK 47 99 - 48 - 1729=10, 549/3.6=8...(12) HD22 ASN 108 - HA ALA 98 OK 43 100 - 43 - 7566/2.1=9, 1.7/4866=8...(8) QE PHE 107 - HA ASN 108 OK 31 85 - 36 - 1321/3.0=8, 549/3.6=8...(9) QE PHE 107 - HA ALA 98 OK 28 89 - 31 - 1723/3.6=6, 7566/2.1=5...(11) H LEU 101 - HA ARG 57 OK 15 64 - 23 - 1729=4, 6726/3.0=3...(7) HD22 ASN 12 - HA ALA 98 OK 13 95 - 14 - 1723/3.6=4, 7566/2.1=3, ~8360=2 QE PHE 107 - HA ARG 57 OK 11 51 - 22 - 6726/3.0=4, 4789/3.0=2...(7) HD22 ASN 12 - HA ASN 108 poor 10 91 - 10 - 549/3.6=2, 4873/3.0=2...(4) HD22 ASN 12 - HA ARG 57 poor 6 56 - 10 - 6726/3.0=1, ~6284=1, ~6285=1 HD22 ASN 108 - HA ARG 57 lone 3 64 - 5 - Peak 6173 from cnoeabs.peaks (2.10, 4.13, 56.52 ppm; 4.12 A): 5 out of 33 assignments used, quality = 0.67: HB2 ARG 57 + HA ARG 57 OK 33 33 - 100 - 3.0=100 * HB2 LEU 101 + HA ALA 98 OK 25 100 - 25 - 4.0/1729=5, 3.1/7717=3...(9) HG LEU 21 + HA ARG 57 OK 14 51 - 29 - ~7033=5, ~6399=4...(11) HB2 LEU 101 + HA ASN 108 OK 13 99 - 13 - 4.0/1729=4, 4651/4.3=2...(5) HB2 LEU 101 + HA ARG 57 OK 12 64 - 19 - 3.1/7717=2, ~7031=2...(5) HB2 GLU 15 - HA ALA 98 lone 8 95 - 8 - 1910/3.6=3, 4.0/5824=2 HB2 LEU 114 - HA ALA 98 lone 7 87 - 8 - HB2 ARG 57 - HA ALA 98 lone 6 63 - 10 - HB3 PRO 70 - HA ARG 57 lone 6 63 - 9 - ~8318=3, ~261=2 HB2 GLN 105 - HA ARG 57 poor 6 41 - 14 - 4773/3.0=2, ~4765=1 HG LEU 21 - HA ALA 98 lone 6 89 - 6 - HB2 LEU 114 - HA ARG 57 lone 5 49 - 9 - ~7957=2, 265/3.6=1 HB3 GLN 16 - HA ARG 57 lone 4 46 - 9 - HB3 PRO 70 - HA ALA 98 lone 4 100 - 4 - HB2 GLU 15 - HA ARG 57 lone 4 56 - 8 - HB2 ARG 57 - HA ASN 108 lone 4 60 - 7 - 4.2/6198=1 HB2 GLN 16 - HA ARG 57 lone 4 45 - 9 - HG3 GLU 69 - HA ARG 57 lone 4 60 - 6 - HB2 GLU 15 - HA ASN 108 lone 3 91 - 3 - 4.0/5824=1 HG2 GLU 64 - HA ARG 57 lone 3 33 - 10 - 265/3.6=1, 3.0/8508=1...(4) HB2 LEU 114 - HA ASN 108 lone 3 83 - 3 - HB3 PRO 70 - HA ASN 108 lone 2 98 - 2 - HG3 GLU 69 - HA ALA 98 lone 2 98 - 2 - HB2 GLN 105 - HA ASN 108 lone 2 72 - 3 - HG LEU 21 - HA ASN 108 lone 2 85 - 2 - HG2 GLU 64 - HA ALA 98 lone 2 63 - 3 - HB3 GLN 16 - HA ALA 98 lone 2 83 - 2 - HB2 GLN 16 - HA ALA 98 lone 2 81 - 2 - HB3 GLN 16 - HA ASN 108 lone 2 79 - 2 - HB2 GLN 16 - HA ASN 108 lone 2 77 - 2 - HG2 GLU 64 - HA ASN 108 lone 1 60 - 2 - HG3 GLU 69 - HA ASN 108 lone 1 95 - 1 - HB2 GLN 105 - HA ALA 98 lone 1 76 - 2 - Peak 6175 from cnoeabs.peaks (1.44, 4.13, 56.52 ppm; 3.05 A): 2 out of 51 assignments used, quality = 0.93: QB ALA 98 + HA ALA 98 OK 90 90 - 100 - 2.1=100 HG3 ARG 57 + HA ARG 57 OK 25 33 - 76 - 3.6=59, 2.9/3332=6...(19) QB ALA 98 - HA ASN 108 OK 22 87 - 25 - 4612=5, 2.9/1259=3...(12) ! HB3 LEU 101 - HA ALA 98 OK 16 100 - 16 - 4.0/1729=3, 1.8/6173=2...(6) HG LEU 24 - HA ARG 57 OK 11 58 - 19 - ~8209=2, 2.1/2223=2...(8) HB3 LEU 91 - HA ALA 98 lone 9 97 - 9 - 1260/3.0=1 QB ALA 14 - HA ASN 108 poor 9 65 - 14 - 2.9/4862=2, ~1898=2...(5) HB3 LEU 101 - HA ASN 108 lone 8 99 - 8 - 4.0/1729=2, 1.8/6173=1 HB3 GLU 75 - HA ARG 57 poor 7 58 - 13 - 3964/3.0=2, 7315/3.0=2...(4) HB3 LEU 101 - HA ARG 57 poor 7 64 - 10 - 1.8/6173=1, 3.1/7717=1 HG2 LYS 119 - HA ARG 57 poor 6 45 - 14 - 5220/3.0=2, ~5200=1...(5) HB2 LEU 51 - HA ALA 98 lone 6 85 - 7 - HB3 LEU 45 - HA ALA 98 lone 5 97 - 5 - ~7667=1 QB ALA 122 - HA ASN 108 lone 5 65 - 8 - 2.9/4866=2, ~1320=1, ~4872=1 QB ALA 89 - HA ALA 98 lone 5 100 - 5 - HB2 LEU 51 - HA ARG 57 lone 5 48 - 10 - ~7032=1, 5606/3.0=1, ~5610=1 QB ALA 122 - HA ALA 98 lone 4 68 - 6 - QB ALA 14 - HA ALA 98 lone 3 68 - 5 - HB3 GLU 75 - HA ALA 98 lone 3 97 - 3 - HG3 ARG 57 - HA ALA 98 lone 3 63 - 4 - HD2 LYS 65 - HA ALA 98 lone 3 100 - 3 - HD3 LYS 65 - HA ALA 98 lone 3 100 - 3 - QB ALA 98 - HA ARG 57 lone 3 52 - 5 - HD3 LYS 65 - HA ASN 108 lone 3 98 - 3 - HD2 LYS 65 - HA ASN 108 lone 3 98 - 3 - HG LEU 24 - HA ALA 98 lone 3 97 - 3 - HB3 LEU 45 - HA ARG 57 lone 2 58 - 4 - HB3 GLU 75 - HA ASN 108 lone 2 94 - 2 - HB2 LEU 93 - HA ALA 98 lone 2 68 - 3 - QB ALA 89 - HA ARG 57 lone 2 64 - 3 - 5784/3.6=1 QB ALA 14 - HA ARG 57 lone 2 36 - 5 - HG3 ARG 57 - HA ASN 108 lone 2 60 - 3 - QB ALA 89 - HA ASN 108 lone 2 99 - 2 - HB3 LEU 91 - HA ASN 108 lone 2 95 - 2 - HD3 LYS 65 - HA ARG 57 lone 2 63 - 3 - HD2 LYS 65 - HA ARG 57 lone 2 63 - 3 - HB3 LEU 91 - HA ARG 57 lone 2 59 - 3 - HB3 LEU 45 - HA ASN 108 lone 2 94 - 2 - HD2 LYS 46 - HA ASN 108 lone 1 81 - 2 - HG LEU 24 - HA ASN 108 lone 1 94 - 1 - HB2 LEU 51 - HA ASN 108 lone 1 81 - 1 - HB2 LEU 93 - HA ASN 108 lone 1 65 - 2 - HG2 LYS 119 - HA ALA 98 lone 1 81 - 1 - HB2 LEU 93 - HA ARG 57 lone 1 36 - 3 - HD2 LYS 46 - HA ARG 57 lone 1 48 - 2 - HD2 LYS 46 - HA ALA 98 lone 1 85 - 1 - HG3 LYS 31 - HA ARG 57 lone 1 40 - 2 - HG2 LYS 119 - HA ASN 108 lone 1 77 - 1 - HG3 LYS 31 - HA ALA 98 lone 1 73 - 1 - HG3 LYS 31 - HA ASN 108 lone 1 70 - 1 - QB ALA 122 - HA ARG 57 lone 0 36 - 1 - Peak 6177 from cnoeabs.peaks (8.48, 4.13, 56.52 ppm; 5.51 A): 8 out of 24 assignments used, quality = 0.88: * H TYR 102 + HA ALA 98 OK 46 100 - 46 - 7655/2.1=12, 1734=9...(11) H LEU 84 + HA ALA 98 OK 35 89 - 40 - 4.6/7670=9, 7655/2.1=8...(10) H TYR 102 + HA ASN 108 OK 28 99 - 28 - 4.6/1729=7, 1734=6...(7) H PHE 40 + HA ALA 98 OK 16 97 - 17 - 1581=2, 7655/2.1=2...(4) H GLU 28 + HA ALA 98 OK 14 83 - 17 - 7655/2.1=3, 6542/7669=1 H PHE 40 + HA ASN 108 OK 14 95 - 14 - 1581=2, 4.6/1587=2...(4) H TYR 102 + HA ARG 57 OK 13 64 - 20 - 1734=3, 4.9/7717=3...(7) H LEU 84 + HA ASN 108 OK 11 85 - 12 - 4.6/7670=2, 405=1, 4.6/7488=1 H SER 13 - HA ASN 108 poor 8 75 - 11 - 4.6/4862=5, 1428/3.0=2, ~5439=2 H GLN 16 - HA ALA 98 poor 7 60 - 12 - 28/3.6=3, 4.6/5824=2...(4) H GLU 28 - HA ASN 108 lone 7 79 - 9 - H LYS 31 - HA ALA 98 lone 6 87 - 7 - 7655/2.1=1 H PHE 40 - HA ARG 57 lone 5 59 - 8 - H SER 13 - HA ALA 98 lone 4 78 - 5 - 4.6/4862=2 H GLN 16 - HA ASN 108 lone 4 57 - 7 - 4.6/5824=2 H LYS 31 - HA ASN 108 lone 4 83 - 4 - H GLU 28 - HA ARG 57 lone 3 46 - 7 - H GLY 2 - HA ALA 98 lone 3 98 - 3 - H LEU 84 - HA ARG 57 lone 3 51 - 6 - H GLN 16 - HA ARG 57 lone 3 31 - 9 - ~1637=1 H LYS 31 - HA ARG 57 lone 2 49 - 5 - H GLY 2 - HA ASN 108 lone 2 95 - 2 - H SER 13 - HA ARG 57 lone 2 43 - 4 - H GLY 2 - HA ARG 57 lone 1 60 - 2 - Peak 6178 from cnoeabs.peaks (6.97, 4.56, 56.07 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.87: * H LEU 101 + HA ASN 99 OK 60 100 - 60 - 495/3.6=20, 1728/3.0=18...(7) HD22 ASN 108 + HA ASN 99 OK 36 100 - 36 - 1723/3.0=6, 3.5/4617=6...(10) QE PHE 107 + HA ASN 99 OK 35 89 - 39 - 1723/3.0=6, 2.2/4619=5...(15) HD22 ASN 12 + HA ASN 99 OK 20 95 - 21 - ~8419=6, 3.5/6182=5...(7) Peak 6179 from cnoeabs.peaks (8.48, 4.56, 56.07 ppm; 3.97 A): 4 out of 8 assignments used, quality = 0.82: * H TYR 102 + HA ASN 99 OK 72 100 - 72 - 1733=21, 4.0/6180=19...(10) H GLU 28 + HA ASN 99 OK 17 83 - 21 - 4.6/4619=3, 99=3...(9) H LEU 84 + HA ASN 99 OK 14 89 - 15 - 7655/4.5=3, 1685=2...(6) H PHE 40 + HA ASN 99 OK 11 97 - 11 - 1726/3.6=3, 506/6184=2...(4) H SER 13 - HA ASN 99 lone 6 78 - 7 - 4.6/6182=3, 1726/3.6=1 H GLN 16 - HA ASN 99 lone 5 60 - 9 - 4.6/4614=4, 28/3.0=2 H LYS 31 - HA ASN 99 lone 4 87 - 5 - H GLY 2 - HA ASN 99 lone 2 98 - 2 - Peak 6180 from cnoeabs.peaks (3.04, 4.56, 56.07 ppm; 3.30 A): 1 out of 4 assignments used, quality = 0.52: * HB2 TYR 102 + HA ASN 99 OK 52 100 - 52 - 1.8/6182=25, 4.6/6184=11...(7) HE3 LYS 109 - HA ASN 99 lone 7 92 - 8 - 1.8/6182=2, 508/6184=1 HE2 LYS 109 - HA ASN 99 lone 7 92 - 8 - 1.8/6182=2, 508/6184=1 HD2 ARG 85 - HA ASN 99 lone 6 100 - 6 - 2.9/8745=3 Peak 6181 from cnoeabs.peaks (4.56, 3.04, 39.45 ppm; 5.03 A): 4 out of 8 assignments used, quality = 0.93: * HA ASN 99 + HB2 TYR 102 OK 83 100 - 83 - 6180=36, 6182/1.8=32...(8) HA LEU 27 + HB2 TYR 102 OK 31 81 - 39 - 6539/2.5=9, 6183/1.8=6...(10) HA ASN 79 + HB2 TYR 102 OK 27 97 - 28 - 4739/2.5=5, 6183/1.8=5...(8) HA GLU 82 + HB2 TYR 102 OK 21 96 - 22 - 4739/2.5=5, 1738/4.6=5...(7) HA THR 95 - HB2 TYR 102 OK 16 99 - 16 - 6183/1.8=3, 4739/2.5=3...(5) HB THR 121 - HB2 TYR 102 OK 15 100 - 15 - 4739/2.5=4, 6183/1.8=3...(5) HA GLU 69 - HB2 TYR 102 OK 12 78 - 15 - 4739/2.5=3, 4738/4.4=3...(6) HA ASP 47 - HB2 TYR 102 lone 6 76 - 8 - 4739/2.5=2, 4738/4.4=2 Peak 6182 from cnoeabs.peaks (3.00, 4.56, 56.07 ppm; 3.02 A): 2 out of 7 assignments used, quality = 0.52: * HB3 TYR 102 + HA ASN 99 OK 47 100 - 47 - 1.8/6180=21, 4.6/6184=8...(8) HB2 ASN 12 + HA ASN 99 OK 10 93 - 11 - ~8419=4, 3.5/6178=2, 8360/4.5=1 HA VAL 110 - HA ASN 99 lone 6 92 - 7 - 8360/4.5=2 HE3 LYS 109 - HA ASN 99 lone 4 63 - 7 - 1.8/6180=3 HE2 LYS 109 - HA ASN 99 lone 4 63 - 7 - 1.8/6180=3 HE3 LYS 31 - HA ASN 99 lone 1 65 - 1 - HE2 LYS 31 - HA ASN 99 lone 1 65 - 1 - Peak 6183 from cnoeabs.peaks (4.56, 3.00, 39.45 ppm; 4.77 A): 7 out of 8 assignments used, quality = 0.95: * HA ASN 99 + HB3 TYR 102 OK 82 100 - 82 - 6180/1.8=36, 6182=32...(10) HA LEU 27 + HB3 TYR 102 OK 29 81 - 36 - 6539/2.5=8, 6181/1.8=5...(10) HA ASN 79 + HB3 TYR 102 OK 24 97 - 25 - 4739/2.5=5, 6181/1.8=5...(7) HA GLU 82 + HB3 TYR 102 OK 19 96 - 20 - 4739/2.5=5, 1738/4.6=4...(7) HA THR 95 + HB3 TYR 102 OK 16 99 - 16 - 4739/2.5=3, 6181/1.8=3...(6) HB THR 121 + HB3 TYR 102 OK 14 100 - 14 - 4739/2.5=3, 6181/1.8=3...(5) HA GLU 69 + HB3 TYR 102 OK 11 78 - 13 - 4739/2.5=3, 4738/4.4=3...(5) HA ASP 47 - HB3 TYR 102 lone 5 76 - 7 - 4739/2.5=2, 4738/4.4=2 Peak 6184 from cnoeabs.peaks (7.89, 4.56, 56.07 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.70: * H GLN 103 + HA ASN 99 OK 66 100 - 66 - 1738=23, 4.6/6180=17...(11) H ASP 36 + HA ASN 99 OK 12 90 - 14 - 5839/6180=2, 1505/6179=2...(5) Peak 6188 from cnoeabs.peaks (4.35, 2.37, 28.58 ppm; 5.02 A): 7 out of 16 assignments used, quality = 0.88: HA MET 11 + HB2 GLN 103 OK 51 92 - 56 - 1842=9, 3.0/1854=9...(15) HA CYS 76 + HG2 PRO 70 OK 44 73 - 61 - 8319/2.3=14, 7326/1.8=12...(13) HA GLN 105 + HB2 GLN 103 OK 19 63 - 30 - ~7781=11, ~7766=11...(6) * HA ASP 100 + HB2 GLN 103 OK 15 100 - 15 - 1737/4.0=9, 2.9/789=2 HA PHE 40 + HB2 GLN 103 OK 14 95 - 15 - 1737/4.0=7, 6018/4.4=5, ~6738=2 HA GLN 105 + HG2 PRO 70 OK 14 40 - 34 - 8319/2.3=7, 8320/2.3=7...(14) HA MET 11 + HG2 PRO 70 OK 10 63 - 16 - 8319/2.3=4, 3.6/13=2...(5) HA SER 35 - HB2 GLN 103 poor 9 71 - 12 - 3.6/4724=7, 1737/4.0=2, ~7771=2 HB THR 17 - HG2 PRO 70 poor 8 50 - 17 - 4.6/824=6, ~8461=3...(4) HA ASP 100 - HG2 PRO 70 lone 6 75 - 8 - 8319/2.3=3, 8320/2.3=1 HA PHE 40 - HG2 PRO 70 lone 6 66 - 9 - ~159=3, ~6739=2, 8319/2.3=1 HA CYS 76 - HB2 GLN 103 lone 4 99 - 4 - 1737/4.0=1 HB THR 17 - HB2 GLN 103 lone 4 76 - 6 - ~6338=1, 1737/4.0=1 HB THR 116 - HB2 GLN 103 lone 4 83 - 5 - 1737/4.0=2 HB THR 116 - HG2 PRO 70 lone 4 55 - 7 - 8319/2.3=2, 8320/2.3=2 HA SER 35 - HG2 PRO 70 lone 2 46 - 3 - Peak 6192 from cnoeabs.peaks (7.48, 4.01, 61.43 ppm; 4.85 A): 2 out of 3 assignments used, quality = 0.84: * H LYS 109 + HA PHE 107 OK 78 100 - 78 - 1511/3.6=31, 1741=28...(9) H GLY 104 + HA PHE 107 OK 27 100 - 27 - 1739/3.0=7, 1511/3.6=7...(8) H ALA 43 - HA PHE 107 lone 8 85 - 9 - 1739/3.0=2, 1511/3.6=2...(4) Peak 6193 from cnoeabs.peaks (6.79, 4.01, 61.43 ppm; 4.02 A): 4 out of 5 assignments used, quality = 0.90: * H VAL 110 + HA PHE 107 OK 73 100 - 73 - 4.0/7811=26, 1746=23...(8) QE TYR 67 + HA PHE 107 OK 49 100 - 49 - 2.2/4826=10, 1740/3.6=6...(18) HD22 ASN 99 + HA PHE 107 OK 17 65 - 27 - 3.5/4823=4, 679/3.0=3...(13) HH2 TRP 20 + HA PHE 107 OK 11 100 - 11 - 4985/7811=2, 1740/3.6=1 HE21 GLN 42 - HA PHE 107 poor 9 71 - 13 - 6781/3.7=4, 1740/3.6=2...(4) Peak 6194 from cnoeabs.peaks (1.39, 4.01, 61.43 ppm; 3.95 A): 4 out of 10 assignments used, quality = 0.89: * HB VAL 110 + HA PHE 107 OK 76 100 - 76 - 2.1/7811=39, 6195=20...(9) HB2 LEU 111 + HA PHE 107 OK 38 100 - 38 - 3.8/6196=12, 7886/5.6=7...(10) QG2 THR 121 + HA PHE 107 OK 18 89 - 21 - 8093=6, 4.0/6196=4...(6) HB3 LEU 93 + HA PHE 107 OK 10 97 - 10 - 3.1/7607=2, 4805/3.7=1 HB2 LEU 27 - HA PHE 107 lone 10 100 - 10 - 4805/3.7=3, 2269/7.2=2 HB2 LEU 51 - HA PHE 107 poor 7 68 - 11 - ~6051=3, 4805/3.7=2...(4) QB ALA 98 - HA PHE 107 poor 7 60 - 12 - ~7676=2, ~4620=2...(4) HG LEU 59 - HA PHE 107 lone 3 99 - 3 - HG2 LYS 31 - HA PHE 107 lone 3 76 - 4 - QB ALA 122 - HA PHE 107 lone 2 85 - 2 - Peak 6195 from cnoeabs.peaks (4.01, 1.39, 29.93 ppm; 4.28 A): 5 out of 6 assignments used, quality = 0.92: * HA PHE 107 + HB VAL 110 OK 81 100 - 81 - 7811/2.1=43, 6194=22...(10) HA ARG 81 + HB VAL 110 OK 24 93 - 26 - 7434/2.1=9, 7868/2.1=6...(8) HA LEU 117 + HB VAL 110 OK 22 85 - 26 - 1746/4.0=5, 7880/2.1=5...(6) HA ALA 14 + HB VAL 110 OK 19 92 - 20 - 7868/2.1=5, 1751/4.4=4...(5) HA THR 62 + HB VAL 110 OK 11 96 - 11 - 7880/2.1=3, 7868/2.1=2...(4) HA GLN 16 - HB VAL 110 lone 4 68 - 5 - 7868/2.1=1 Peak 6196 from cnoeabs.peaks (7.70, 4.01, 61.43 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.82: * H LEU 111 + HA PHE 107 OK 75 100 - 75 - 4.3/7811=34, 1751=19...(12) H THR 121 + HA PHE 107 OK 28 97 - 29 - 1801=7, 4.0/8093=6...(10) H LEU 58 - HA PHE 107 poor 8 76 - 10 - 5879/7811=2, 1743/6192=2...(4) HE21 GLN 103 - HA PHE 107 lone 7 97 - 7 - 1743/6192=2, 5879/7811=2 H SER 90 - HA PHE 107 lone 4 76 - 5 - H LEU 126 - HA PHE 107 lone 2 71 - 2 - Peak 6197 from cnoeabs.peaks (6.79, 4.14, 56.45 ppm; 4.87 A): 7 out of 15 assignments used, quality = 0.94: * H VAL 110 + HA ASN 108 OK 63 100 - 63 - 550/3.6=27, 1745/3.0=21...(10) H VAL 110 + HA ALA 98 OK 39 99 - 40 - 1744=6, 4.7/6198=6...(13) QE TYR 67 + HA ASN 108 OK 39 100 - 39 - 1740/3.0=10, 1512/3.6=7...(6) HD22 ASN 99 + HA ASN 108 OK 24 65 - 37 - ~674=5, 5.5/5824=5...(12) HD22 ASN 99 + HA ALA 98 OK 22 62 - 36 - 677/3.6=16, ~8662=8...(5) QE TYR 67 + HA ALA 98 OK 18 99 - 18 - 7215=3, 7220/2.1=2...(5) HH2 TRP 20 + HA ASN 108 OK 11 100 - 11 - 1512/3.6=4, 1740/3.0=2 HE21 GLN 42 - HA ASN 108 poor 10 71 - 14 - 1512/3.6=6, 1740/3.0=3 H VAL 110 - HA ARG 57 poor 8 42 - 20 - 1513/3.6=7, ~6212=2...(7) HH2 TRP 20 - HA ALA 98 lone 5 98 - 5 - QE TYR 67 - HA ARG 57 poor 5 42 - 12 - 4697/3.0=3, 7215=2...(4) HE21 GLN 42 - HA ALA 98 lone 4 67 - 6 - HH2 TRP 20 - HA ARG 57 lone 1 42 - 3 - HE21 GLN 42 - HA ARG 57 lone 1 24 - 3 - HD22 ASN 99 - HA ARG 57 lone 1 22 - 3 - Peak 6198 from cnoeabs.peaks (7.70, 4.14, 56.45 ppm; 4.00 A): 4 out of 18 assignments used, quality = 0.77: * H LEU 111 + HA ASN 108 OK 45 100 - 45 - 1749/3.6=12, 1750=6...(12) H LEU 111 + HA ALA 98 OK 35 99 - 35 - 1750=5, 3.8/6199=5...(12) H LEU 58 + HA ARG 57 OK 26 26 - 100 - 3.6=100 H THR 121 + HA ASN 108 OK 13 97 - 13 - 1524/4.3=3, 4.6/4866=2...(4) H LEU 58 - HA ASN 108 poor 8 76 - 10 - 1743/3.6=5 HE21 GLN 103 - HA ASN 108 lone 8 97 - 8 - 1743/3.6=5 H LEU 111 - HA ARG 57 poor 7 42 - 18 - 1752/3.0=4, ~6218=2...(6) H THR 121 - HA ALA 98 lone 6 95 - 7 - 4.6/4866=1 HE21 GLN 103 - HA ALA 98 lone 5 95 - 5 - 7776/7669=2 H LEU 58 - HA ALA 98 lone 4 72 - 6 - H SER 90 - HA ALA 98 lone 3 72 - 4 - H THR 121 - HA ARG 57 lone 3 39 - 8 - 1799/3.0=5 H SER 90 - HA ASN 108 lone 2 76 - 3 - H LEU 126 - HA ARG 57 lone 2 24 - 7 - 1466/3.0=2, 5640/3.0=1 H SER 90 - HA ARG 57 lone 2 26 - 6 - 1466/3.0=2 H LEU 126 - HA ASN 108 lone 1 71 - 2 - HE21 GLN 103 - HA ARG 57 lone 1 39 - 3 - H LEU 126 - HA ALA 98 lone 1 67 - 2 - Peak 6199 from cnoeabs.peaks (1.39, 4.14, 56.45 ppm; 3.40 A): 4 out of 24 assignments used, quality = 0.66: * HB2 LEU 111 + HA ASN 108 OK 32 100 - 32 - 1.8/6201=7, 6200=5...(10) HB2 LEU 111 + HA ALA 98 OK 26 99 - 27 - 1.8/6201=6, 6200=4...(9) HB VAL 110 + HA ALA 98 OK 20 98 - 20 - ~7668=4, 2.1/7670=3...(6) HB VAL 110 + HA ASN 108 OK 15 100 - 15 - 4.4/6198=4, 4.0/6197=3...(4) QG2 THR 121 - HA ASN 108 lone 8 95 - 9 - 4.2/4866=2, 5929/4.3=2 QB ALA 122 - HA ASN 108 lone 6 76 - 8 - 2.9/4866=3, ~1320=1...(4) HB2 LEU 27 - HA ALA 98 lone 5 97 - 6 - QG2 THR 121 - HA ALA 98 lone 5 91 - 5 - HB3 LEU 93 - HA ALA 98 lone 5 97 - 5 - HB2 LEU 111 - HA ARG 57 poor 4 42 - 10 - 4997/3.6=2, ~6218=1, 6200=1 QB ALA 122 - HA ALA 98 lone 4 72 - 6 - 2.9/4866=1 HB VAL 110 - HA ARG 57 lone 4 42 - 10 - 5877/3.6=2, ~7865=2, 2.1/7670=1 HB3 LEU 93 - HA ASN 108 lone 3 99 - 3 - HB2 LEU 27 - HA ASN 108 lone 2 99 - 2 - HG LEU 59 - HA ALA 98 lone 2 93 - 2 - HB2 LEU 27 - HA ARG 57 lone 2 40 - 5 - ~7031=1 HG LEU 59 - HA ASN 108 lone 1 96 - 1 - HG2 LYS 31 - HA ALA 98 lone 1 81 - 2 - HG2 LYS 31 - HA ASN 108 lone 1 85 - 1 - HB3 LEU 93 - HA ARG 57 lone 1 40 - 3 - QG2 THR 121 - HA ARG 57 lone 1 36 - 2 - HG2 LYS 31 - HA ARG 57 lone 1 31 - 2 - HG LEU 59 - HA ARG 57 lone 0 37 - 1 - QB ALA 122 - HA ARG 57 lone 0 26 - 1 - Peak 6200 from cnoeabs.peaks (4.14, 1.39, 40.93 ppm; 3.95 A): 10 out of 14 assignments used, quality = 0.94: * HA ASN 108 + HB2 LEU 111 OK 43 100 - 43 - 6199=11, 6201/1.8=9...(10) HA ALA 98 + HB2 LEU 111 OK 36 99 - 37 - 6199=9, 6201/1.8=7...(9) HA ILE 63 + HB2 LEU 111 OK 30 100 - 30 - 3501/3.0=5, 7903/3.1=4...(13) HB2 SER 113 + HB2 LEU 111 OK 27 97 - 28 - 1756/4.6=4, 7903/3.1=4...(10) HA ILE 124 + HB2 LEU 111 OK 26 100 - 26 - 3.2/8115=4, 5339/1.8=3...(13) HA PRO 37 + HB2 LEU 111 OK 20 100 - 20 - 6672/1.8=5, 7903/3.1=3...(7) HB3 SER 78 + HB2 LEU 111 OK 18 90 - 20 - 6097/3.0=4, ~6095=2...(7) HA SER 78 + HB2 LEU 111 OK 14 71 - 20 - ~368=2, ~6097=2, ~370=2...(9) HA GLU 28 + HB2 LEU 111 OK 12 92 - 13 - 6563/3.1=3, 3.0/100=3...(4) HA PHE 83 + HB2 LEU 111 OK 12 100 - 12 - 7903/3.1=1, ~7466=1, 6202/1.8=1 HA ARG 57 - HB2 LEU 111 poor 9 60 - 14 - 3.6/4997=3, ~6218=2...(7) HA GLU 56 - HB2 LEU 111 lone 4 68 - 6 - ~7030=1 HB3 SER 72 - HB2 LEU 111 lone 3 100 - 3 - HA3 GLY 25 - HB2 LEU 111 lone 2 60 - 3 - Peak 6201 from cnoeabs.peaks (1.21, 4.14, 56.45 ppm; 3.48 A): 4 out of 21 assignments used, quality = 0.66: * HB3 LEU 111 + HA ASN 108 OK 32 100 - 32 - 1.8/6199=8, 3.8/6198=5...(10) HB3 LEU 111 + HA ALA 98 OK 26 99 - 27 - 1.8/6199=6, 3.8/6198=4...(9) HG LEU 77 + HA ALA 98 OK 18 79 - 23 - ~7667=9, ~7345=7...(5) HB2 LEU 77 + HA ALA 98 OK 17 72 - 23 - ~7667=6, 3.1/7669=5...(6) HB3 LEU 24 - HA ARG 57 poor 9 41 - 22 - 2212/3.6=3, ~8479=3...(10) QG2 VAL 18 - HA ALA 98 lone 7 96 - 7 - 8392=2 HG13 ILE 124 - HA ALA 98 lone 6 65 - 10 - 5363=2, 2.1/5370=1...(5) QG2 VAL 18 - HA ASN 108 lone 6 99 - 6 - 8392=1 HG13 ILE 124 - HA ASN 108 lone 6 68 - 8 - 5363=1, 2.1/5370=1...(4) HB3 LEU 111 - HA ARG 57 poor 4 42 - 10 - 5004/3.6=2, ~6218=1, 1.8/6199=1 HG2 LYS 32 - HA ALA 98 lone 4 98 - 4 - HB3 LEU 24 - HA ALA 98 lone 4 98 - 4 - QG2 VAL 18 - HA ARG 57 lone 3 40 - 8 - 8400/3.0=1, 8398/3.6=1 HB2 LEU 77 - HA ASN 108 lone 3 76 - 4 - 3.1/7669=1 HG LEU 77 - HA ASN 108 lone 3 83 - 4 - 2.1/7669=1 HB3 LEU 24 - HA ASN 108 lone 2 100 - 2 - HG2 LYS 32 - HA ASN 108 lone 2 100 - 2 - HG13 ILE 124 - HA ARG 57 lone 1 23 - 6 - HG2 LYS 32 - HA ARG 57 lone 1 42 - 2 - HG LEU 77 - HA ARG 57 lone 1 30 - 3 - HB2 LEU 77 - HA ARG 57 lone 1 26 - 3 - Peak 6202 from cnoeabs.peaks (4.14, 1.21, 40.93 ppm; 3.98 A): 7 out of 28 assignments used, quality = 0.93: * HA ASN 108 + HB3 LEU 111 OK 43 100 - 44 - 6201=10, 6199/1.8=9...(11) HA ALA 98 + HB3 LEU 111 OK 36 99 - 37 - 6201=8, 6199/1.8=8...(9) HA ILE 63 + HB3 LEU 111 OK 31 100 - 31 - 3501/3.0=5, 6200/1.8=4...(13) HB2 SER 113 + HB3 LEU 111 OK 28 97 - 29 - 6200/1.8=4, 1756/4.6=4...(10) HA PRO 37 + HB3 LEU 111 OK 28 100 - 28 - 6672=5, 2.3/6677=4...(10) HA ILE 124 + HB3 LEU 111 OK 27 100 - 27 - 6200/1.8=4, ~8115=3...(13) HA PRO 37 + HB2 LEU 77 OK 22 55 - 40 - 6672=8, 2.3/6677=6...(11) HB3 SER 78 - HB3 LEU 111 OK 21 90 - 24 - 6097/3.0=4, 6200/1.8=3...(10) HA ALA 98 - HB2 LEU 77 OK 19 53 - 35 - ~7667=9, 7669/3.1=7...(8) HA SER 78 - HB2 LEU 77 OK 15 32 - 46 - 2.9/368=13, ~369=12...(9) HA SER 78 - HB3 LEU 111 OK 14 71 - 20 - 2.9/368=2, 6200/1.8=2...(8) HA GLU 28 - HB3 LEU 111 OK 12 92 - 13 - 6563/3.1=3, 6200/1.8=2...(4) HA PHE 83 - HB3 LEU 111 OK 11 100 - 11 - 6200/1.8=2, 7903/3.1=1...(4) HA ARG 57 - HB3 LEU 111 poor 9 60 - 14 - 3.6/5004=2, ~6218=2...(7) HA GLU 28 - HB2 LEU 77 poor 8 45 - 18 - ~6542=4, ~4018=2...(7) HB3 SER 78 - HB2 LEU 77 poor 8 44 - 18 - 4040/4.3=15, ~5339=1 HA GLU 56 - HB3 LEU 111 lone 4 68 - 6 - ~7030=1 HA ILE 124 - HB2 LEU 77 lone 4 55 - 7 - 5339/3.0=1 HA ASN 108 - HB2 LEU 77 lone 4 55 - 7 - 7669/3.1=1, 6201=1 HA3 GLY 25 - HB2 LEU 77 poor 4 26 - 14 - 3.0/86=2, ~86=2, ~8511=2...(7) HB3 SER 72 - HB3 LEU 111 lone 3 100 - 3 - HA PHE 83 - HB2 LEU 77 lone 3 54 - 5 - 1148/4.3=2 HA ILE 63 - HB2 LEU 77 lone 2 54 - 4 - HB2 SER 113 - HB2 LEU 77 lone 2 50 - 4 - 1146/4.3=2 HA GLU 56 - HB2 LEU 77 lone 2 31 - 7 - ~5629=3, ~253=2 HA3 GLY 25 - HB3 LEU 111 lone 2 60 - 3 - 3.0/86=1 HA ARG 57 - HB2 LEU 77 lone 1 26 - 5 - HB3 SER 72 - HB2 LEU 77 lone 1 54 - 2 - Peak 6203 from cnoeabs.peaks (8.03, 4.14, 56.45 ppm; 4.63 A): 3 out of 12 assignments used, quality = 0.59: * H SER 112 + HA ASN 108 OK 32 100 - 33 - 1756=7, 4.6/6198=7...(7) H SER 112 + HA ALA 98 OK 28 99 - 28 - 1756=6, 4.6/6198=5...(5) H GLN 42 + HA ASN 108 OK 15 85 - 18 - 1451/3.6=6, 6770/4.3=4...(4) H SER 112 - HA ARG 57 poor 9 42 - 22 - 1515/3.0=5, 565/3.6=4...(6) H THR 19 - HA ALA 98 lone 7 89 - 8 - 4.3/8392=2 H GLN 42 - HA ALA 98 lone 7 81 - 9 - ~8361=1 H THR 116 - HA ALA 98 lone 7 89 - 8 - 4.1/7671=1 H THR 19 - HA ASN 108 lone 6 92 - 6 - 4.3/8392=1 H THR 116 - HA ASN 108 lone 6 92 - 6 - H THR 116 - HA ARG 57 lone 2 35 - 5 - ~6250=2 H GLN 42 - HA ARG 57 lone 1 31 - 4 - 172/3.0=1 H THR 19 - HA ARG 57 lone 1 35 - 3 - Peak 6204 from cnoeabs.peaks (7.70, 4.05, 58.55 ppm; 4.98 A): 4 out of 12 assignments used, quality = 0.86: * H LEU 111 + HA LYS 109 OK 59 100 - 59 - 1513/3.6=23, 1749/3.0=21...(8) H LEU 58 + HA LYS 109 OK 48 76 - 63 - 8573=9, 3.9/4883=9...(19) HE21 GLN 103 + HA LYS 109 OK 24 97 - 25 - 1743/3.0=8, 5.4/7772=6...(5) H THR 121 + HA LYS 109 OK 15 97 - 16 - 1513/3.6=6, 1743/3.0=4...(4) H LEU 111 - HA GLN 16 poor 7 50 - 13 - 4.7/7902=3, 1748=3...(4) H SER 90 - HA LYS 109 lone 5 76 - 7 - 1513/3.6=2, 1743/3.0=1 H LEU 126 - HA LYS 109 lone 3 71 - 4 - HE21 GLN 103 - HA GLN 16 lone 3 46 - 6 - 5.4/7772=2, 6.8/507=1 H LEU 58 - HA GLN 16 lone 2 32 - 7 - 4.6/1637=1 H THR 121 - HA GLN 16 lone 2 46 - 4 - H SER 90 - HA GLN 16 lone 1 32 - 2 - H LEU 126 - HA GLN 16 lone 1 29 - 2 - Peak 6205 from cnoeabs.peaks (8.03, 4.05, 58.55 ppm; 4.20 A): 5 out of 8 assignments used, quality = 0.74: * H SER 112 + HA LYS 109 OK 45 100 - 45 - 1754/3.6=13, 1755=8...(9) H GLN 42 + HA LYS 109 OK 21 85 - 25 - 1451/3.0=6, 1747/3.6=5...(6) H THR 19 + HA GLN 16 OK 18 42 - 43 - 1550=13, 4.0/5963=9...(8) H THR 116 + HA LYS 109 OK 15 92 - 17 - 1747/3.6=3, 1776=3...(6) H THR 19 + HA LYS 109 OK 15 92 - 16 - 1747/3.6=3, 1550=3...(5) H THR 116 - HA GLN 16 poor 6 42 - 15 - 1776=2, 34/3.0=2...(6) H SER 112 - HA GLN 16 lone 5 50 - 10 - 1755=1 H GLN 42 - HA GLN 16 lone 1 37 - 4 - Peak 6206 from cnoeabs.peaks (3.89, 4.05, 58.55 ppm; 3.66 A): 3 out of 26 assignments used, quality = 0.46: * HB2 SER 112 + HA LYS 109 OK 21 100 - 21 - 3.9/6205=7, 4.5/6210=4...(7) HB3 SER 112 + HA LYS 109 OK 21 100 - 21 - 3.9/6205=7, 4.5/6210=4...(7) HA ALA 43 + HA LYS 109 OK 15 63 - 24 - 3.0/4880=5, 2.1/6811=4...(8) HD2 PRO 68 - HA LYS 109 lone 6 83 - 8 - 2.3/4883=2 HD3 PRO 68 - HA LYS 109 lone 6 78 - 8 - 2.3/4883=2 HA ARG 53 - HA LYS 109 lone 4 100 - 4 - HB2 SER 13 - HA GLN 16 poor 4 33 - 12 - ~5944=3, ~1536=3...(6) HA ILE 34 - HA GLN 16 lone 3 45 - 6 - ~1537=2, 3.2/6641=1, 6627/1556=1 HB THR 62 - HA LYS 109 lone 3 78 - 3 - HB2 SER 112 - HA GLN 16 lone 2 50 - 4 - HB3 SER 112 - HA GLN 16 lone 2 50 - 4 - HB THR 62 - HA GLN 16 lone 2 33 - 6 - 4.4/7837=2, 5661/3.0=1 HB THR 95 - HA LYS 109 lone 2 100 - 2 - HA ILE 34 - HA LYS 109 lone 1 97 - 2 - HB3 ASN 79 - HA LYS 109 lone 1 98 - 1 - HB3 ASN 79 - HA GLN 16 lone 1 47 - 3 - ~6119=1 HA ARG 53 - HA GLN 16 lone 1 49 - 2 - HB2 SER 13 - HA LYS 109 lone 1 78 - 1 - HA2 GLY 2 - HA LYS 109 lone 1 97 - 1 - HA3 GLY 2 - HA LYS 109 lone 1 97 - 1 - HB THR 95 - HA GLN 16 lone 1 50 - 1 - HD2 PRO 68 - HA GLN 16 lone 0 36 - 1 - HD3 PRO 68 - HA GLN 16 lone 0 33 - 1 - HA ALA 43 - HA GLN 16 lone 0 25 - 1 - HA2 GLY 2 - HA GLN 16 lone 0 45 - 1 - HA3 GLY 2 - HA GLN 16 lone 0 45 - 1 - Peak 6207 from cnoeabs.peaks (4.05, 3.89, 62.40 ppm; 2.85 A): 2 out of 14 assignments used, quality = 0.99: HA SER 112 + HB2 SER 112 OK 88 99 - 88 - 3.0=84, 3.0/1346=9...(8) HA SER 112 + HB3 SER 112 OK 88 99 - 88 - 3.0=84, 3.0/1346=9...(8) ! HA LYS 109 - HB2 SER 112 OK 17 100 - 17 - 6208=5, 6208/1.8=5...(4) HA LYS 109 - HB3 SER 112 OK 17 100 - 17 - 6208=5, 6208/1.8=5...(4) HA LEU 55 - HB2 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA LEU 55 - HB3 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA SER 44 - HB2 SER 112 lone 5 92 - 6 - HA SER 44 - HB3 SER 112 lone 5 92 - 6 - HD3 PRO 37 - HB2 SER 112 lone 3 98 - 3 - HD3 PRO 37 - HB3 SER 112 lone 3 98 - 3 - HA TYR 102 - HB2 SER 112 lone 2 99 - 2 - HA TYR 102 - HB3 SER 112 lone 2 99 - 2 - HA GLN 16 - HB2 SER 112 lone 2 83 - 3 - HA GLN 16 - HB3 SER 112 lone 2 83 - 3 - Peak 6208 from cnoeabs.peaks (3.89, 4.05, 58.55 ppm; 3.66 A): 3 out of 30 assignments used, quality = 0.45: * HB3 SER 112 + HA LYS 109 OK 21 100 - 21 - 3.9/6205=7, 4.5/6210=4...(7) HB2 SER 112 + HA LYS 109 OK 21 100 - 21 - 3.9/6205=7, 4.5/6210=4...(7) HA ALA 43 + HA LYS 109 OK 13 57 - 23 - 3.0/4880=5, 2.1/6811=4...(8) HD2 PRO 68 - HA LYS 109 lone 6 78 - 7 - 2.3/4883=2 HD3 PRO 68 - HA LYS 109 lone 5 73 - 7 - 2.3/4883=2 HA ARG 53 - HA LYS 109 lone 4 100 - 4 - HB2 SER 13 - HA GLN 16 poor 4 36 - 12 - ~5944=3, ~1536=3...(6) HA ILE 34 - HA GLN 16 lone 3 44 - 6 - ~1537=2, 3.2/6641=1, 6627/1556=1 HB THR 62 - HA LYS 109 lone 2 73 - 3 - HB3 SER 112 - HA GLN 16 lone 2 50 - 4 - HB2 SER 112 - HA GLN 16 lone 2 50 - 4 - HB THR 95 - HA LYS 109 lone 2 100 - 2 - HB THR 62 - HA GLN 16 lone 2 30 - 5 - 4.4/7837=2, 5661/3.0=1 HA ILE 34 - HA LYS 109 lone 1 95 - 2 - HB3 ASN 79 - HA LYS 109 lone 1 99 - 1 - HB3 ASN 79 - HA GLN 16 lone 1 48 - 3 - ~6119=1 HA ARG 53 - HA GLN 16 lone 1 50 - 2 - HB2 SER 13 - HA LYS 109 lone 1 83 - 1 - HA3 GLY 2 - HA LYS 109 lone 1 95 - 1 - HA2 GLY 2 - HA LYS 109 lone 1 95 - 1 - HB THR 33 - HA GLN 16 lone 1 24 - 2 - HA THR 33 - HA GLN 16 lone 1 23 - 3 - HA THR 33 - HA LYS 109 lone 1 57 - 1 - HB THR 95 - HA GLN 16 lone 1 50 - 1 - HB THR 33 - HA LYS 109 lone 0 60 - 1 - HD2 PRO 68 - HA GLN 16 lone 0 33 - 1 - HD3 PRO 68 - HA GLN 16 lone 0 30 - 1 - HA2 GLY 2 - HA GLN 16 lone 0 44 - 1 - HA3 GLY 2 - HA GLN 16 lone 0 44 - 1 - HA ALA 43 - HA GLN 16 lone 0 23 - 1 - Peak 6209 from cnoeabs.peaks (4.05, 3.89, 62.40 ppm; 2.85 A): 2 out of 14 assignments used, quality = 0.99: HA SER 112 + HB3 SER 112 OK 88 99 - 88 - 3.0=84, 3.0/1346=9...(8) HA SER 112 + HB2 SER 112 OK 88 99 - 88 - 3.0=84, 3.0/1346=9...(8) ! HA LYS 109 - HB3 SER 112 OK 17 100 - 17 - 6208=5, 6208/1.8=5...(4) HA LYS 109 - HB2 SER 112 OK 17 100 - 17 - 6208=5, 6208/1.8=5...(4) HA LEU 55 - HB2 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA LEU 55 - HB3 SER 112 lone 9 100 - 9 - 1755/3.9=1, 4.3/7921=1 HA SER 44 - HB2 SER 112 lone 5 92 - 6 - HA SER 44 - HB3 SER 112 lone 5 92 - 6 - HD3 PRO 37 - HB3 SER 112 lone 3 98 - 3 - HD3 PRO 37 - HB2 SER 112 lone 3 98 - 3 - HA TYR 102 - HB3 SER 112 lone 2 99 - 2 - HA TYR 102 - HB2 SER 112 lone 2 99 - 2 - HA GLN 16 - HB3 SER 112 lone 2 83 - 3 - HA GLN 16 - HB2 SER 112 lone 2 83 - 3 - Peak 6210 from cnoeabs.peaks (7.58, 4.05, 58.55 ppm; 4.56 A): 3 out of 12 assignments used, quality = 0.57: * H SER 113 + HA LYS 109 OK 29 100 - 30 - 4.6/6205=9, 4.5/6208=6...(6) H LYS 119 + HA LYS 109 OK 24 87 - 27 - 1384/2.9=4, 4.0/4883=3...(11) H ARG 57 + HA LYS 109 OK 21 92 - 23 - 4.6/8573=6, 1637=6, 4.6/251=2 H CYS 76 - HA LYS 109 lone 6 92 - 6 - 1761=1 H SER 113 - HA GLN 16 poor 5 50 - 10 - 1516/3.6=2, 1761=1, 4.6/1763=1 H CYS 52 - HA LYS 109 lone 5 99 - 5 - 4.6/7837=2 HE3 TRP 20 - HA LYS 109 lone 5 60 - 8 - 4.3/5867=3, 4636/3.6=1 H ARG 57 - HA GLN 16 lone 4 42 - 9 - 1637=2, 262/4.0=1 H CYS 52 - HA GLN 16 lone 3 48 - 6 - 224/3.0=1 H CYS 76 - HA GLN 16 lone 3 42 - 7 - 1516/3.6=1 HE3 TRP 20 - HA GLN 16 lone 2 24 - 9 - 6.0/1556=6, 6344/6341=1 H LYS 119 - HA GLN 16 lone 1 38 - 3 - Peak 6211 from cnoeabs.peaks (8.03, 2.98, 64.26 ppm; 5.12 A): 4 out of 4 assignments used, quality = 0.85: * H SER 112 + HA VAL 110 OK 75 100 - 75 - 1753=30, 565/3.5=26...(10) H THR 116 + HA VAL 110 OK 21 92 - 23 - 1514/3.5=7, 1747/3.0=5...(6) H GLN 42 + HA VAL 110 OK 16 85 - 19 - 1747/3.0=8, 1514/3.5=6, ~2825=1 H THR 19 + HA VAL 110 OK 13 92 - 14 - 1514/3.5=6, 1747/3.0=5 Peak 6212 from cnoeabs.peaks (7.58, 2.98, 64.26 ppm; 4.45 A): 5 out of 6 assignments used, quality = 0.84: * H SER 113 + HA VAL 110 OK 66 100 - 66 - 1760=20, 4.0/6216=15...(8) H CYS 76 + HA VAL 110 OK 20 92 - 21 - 1760=6, 1759/3.5=4...(7) H LYS 119 + HA VAL 110 OK 19 87 - 21 - 1792/3.5=11, 7865/3.2=5...(4) H ARG 57 + HA VAL 110 OK 17 92 - 19 - 7865/3.2=4, 1752/3.5=4...(5) H CYS 52 + HA VAL 110 OK 17 99 - 17 - 229/3.2=6, 1752/3.5=3...(4) HE3 TRP 20 - HA VAL 110 poor 8 60 - 13 - 4.3/4970=4, ~2077=3...(4) Peak 6213 from cnoeabs.peaks (4.15, 2.98, 64.26 ppm; 4.58 A): 4 out of 12 assignments used, quality = 0.93: * HB2 SER 113 + HA VAL 110 OK 75 100 - 75 - 6214=30, 1.8/6216=24...(11) HA ASN 108 + HA VAL 110 OK 38 97 - 39 - ~1745=11, 6198/3.5=8...(7) HA ALA 98 + HA VAL 110 OK 35 90 - 38 - 6198/3.5=6, 2.1/8360=6...(9) HA SER 78 + HA VAL 110 OK 29 92 - 32 - 7367/3.0=7, 3.0/6215=6...(10) HB3 SER 78 - HA VAL 110 OK 21 68 - 31 - 1.8/6215=7, 7362/3.0=6...(9) HA PHE 83 - HA VAL 110 OK 20 100 - 20 - 3.0/7883=3, ~7467=3...(7) HA ILE 124 - HA VAL 110 OK 13 96 - 13 - 1750/3.5=2, 1744/3.0=2...(4) HA PRO 37 - HA VAL 110 OK 12 97 - 12 - 1750/3.5=2, 1744/3.0=2...(4) HA ILE 63 - HA VAL 110 poor 10 92 - 11 - 1750/3.5=2, 7881/3.2=1...(4) HA GLU 28 - HA VAL 110 lone 7 100 - 7 - 1750/3.5=1 HA GLU 56 - HA VAL 110 lone 6 90 - 7 - 3.6/6212=4 HB3 SER 72 - HA VAL 110 lone 3 93 - 3 - Peak 6214 from cnoeabs.peaks (2.98, 4.15, 63.31 ppm; 4.54 A): 4 out of 5 assignments used, quality = 0.79: * HA VAL 110 + HB2 SER 113 OK 69 100 - 69 - 6216/1.8=23, 3.2/7934=16...(11) HB3 TYR 102 + HB2 SER 113 OK 14 92 - 15 - 6216/1.8=4, 1760/4.0=3...(5) HE3 LYS 31 + HB2 SER 113 OK 12 96 - 12 - 6216/1.8=4, ~6216=3...(4) HE2 LYS 31 + HB2 SER 113 OK 12 96 - 12 - 6216/1.8=4, ~6216=3...(4) HB2 ASN 12 - HB2 SER 113 lone 9 100 - 9 - 6216/1.8=3, 1760/4.0=2 Peak 6215 from cnoeabs.peaks (4.30, 2.98, 64.26 ppm; 4.41 A): 4 out of 7 assignments used, quality = 0.90: * HB3 SER 113 + HA VAL 110 OK 71 100 - 71 - 6216=27, 1.8/6214=22...(10) HA LEU 114 + HA VAL 110 OK 43 100 - 43 - 3.0/6217=14, ~7866=9...(11) HB2 SER 78 + HA VAL 110 OK 30 100 - 30 - 7364/3.0=8, ~7362=6...(9) HA LYS 65 + HA VAL 110 OK 16 99 - 17 - ~555=3, ~7850=2...(8) HA GLN 103 - HA VAL 110 poor 10 73 - 14 - 2.9/509=3, 4.0/8155=3...(4) HA ALA 122 - HA VAL 110 lone 4 63 - 6 - ~627=1 HA GLU 94 - HA VAL 110 lone 2 63 - 3 - Peak 6216 from cnoeabs.peaks (2.98, 4.30, 63.31 ppm; 4.62 A): 4 out of 5 assignments used, quality = 0.80: * HA VAL 110 + HB3 SER 113 OK 71 100 - 71 - 6214/1.8=24, 6215=20...(10) HB3 TYR 102 + HB3 SER 113 OK 13 92 - 14 - 6214/1.8=5, 1760/4.0=3...(4) HE3 LYS 31 + HB3 SER 113 OK 12 96 - 12 - 6214/1.8=4, ~6214=3...(4) HE2 LYS 31 + HB3 SER 113 OK 12 96 - 12 - 6214/1.8=4, ~6214=3...(4) HB2 ASN 12 - HB3 SER 113 lone 9 100 - 9 - 6214/1.8=3, 1760/4.0=2 Peak 6217 from cnoeabs.peaks (7.97, 2.98, 64.26 ppm; 5.14 A): 4 out of 7 assignments used, quality = 0.83: * H LEU 114 + HA VAL 110 OK 72 100 - 72 - 1766=22, 7866/3.2=18...(9) H ALA 89 + HA VAL 110 OK 19 92 - 21 - 1766=6, 7557/3.2=3...(6) H ARG 92 + HA VAL 110 OK 14 97 - 14 - 4.6/7851=5, 7866/3.2=4 H VAL 66 + HA VAL 110 OK 12 97 - 12 - 3.6/6215=3, 7866/3.2=3...(4) HE ARG 85 - HA VAL 110 lone 7 97 - 7 - 7866/3.2=4 H SER 44 - HA VAL 110 lone 5 73 - 6 - 1602/1753=1 H THR 17 - HA VAL 110 lone 4 78 - 5 - 7866/3.2=3 Peak 6218 from cnoeabs.peaks (7.58, 3.61, 57.62 ppm; 4.93 A): 5 out of 6 assignments used, quality = 0.93: * H SER 113 + HA LEU 111 OK 66 100 - 66 - 1515/3.6=22, 1761/4.8=15...(13) H LYS 119 + HA LEU 111 OK 48 87 - 55 - 1792/2.9=14, 1791=11...(13) H ARG 57 + HA LEU 111 OK 29 92 - 32 - 1752/2.9=6, 1515/3.6=5...(7) H CYS 76 + HA LEU 111 OK 29 92 - 31 - 1515/3.6=6, 1759/2.9=5...(11) H CYS 52 + HA LEU 111 OK 20 99 - 20 - 1752/2.9=4, 1515/3.6=3...(6) HE3 TRP 20 - HA LEU 111 lone 5 60 - 9 - 4.3/7897=2, 1752/2.9=1 Peak 6219 from cnoeabs.peaks (7.97, 3.61, 57.62 ppm; 4.11 A): 5 out of 7 assignments used, quality = 0.83: * H LEU 114 + HA LEU 111 OK 64 100 - 64 - 1764/3.6=13, 1765=13...(16) H ARG 92 + HA LEU 111 OK 19 97 - 20 - 5.0/4995=4, 5.0/4994=2...(6) H ALA 89 + HA LEU 111 OK 18 92 - 19 - 1765=4, 1764/3.6=3...(5) H THR 17 + HA LEU 111 OK 17 78 - 21 - 7898/4.0=5, 4.0/8460=5...(8) H SER 44 + HA LEU 111 OK 14 73 - 19 - 1602/3.6=4, 4.6/1598=4...(5) H VAL 66 - HA LEU 111 poor 10 97 - 10 - 1093/4.3=1, 6225/4.8=1 HE ARG 85 - HA LEU 111 lone 6 97 - 6 - Peak 6220 from cnoeabs.peaks (2.08, 3.61, 57.62 ppm; 4.11 A): 4 out of 14 assignments used, quality = 0.75: * HB2 LEU 114 + HA LEU 111 OK 57 100 - 57 - 4.6/6224=10, 4.0/6219=10...(15) HB ILE 63 + HA LEU 111 OK 19 87 - 21 - 7909/4.0=3, 3508/4.3=2...(11) HB2 ARG 57 + HA LEU 111 OK 17 97 - 17 - 3.7/6218=3, 4.2/4990=2...(4) HB3 PRO 70 + HA LEU 111 OK 15 78 - 20 - 1.8/3815=3, 3822=2...(9) HB2 GLN 16 - HA LEU 111 lone 10 100 - 10 - 4.1/6219=3, 7909/4.0=2 HB3 GLN 16 - HA LEU 111 lone 10 100 - 10 - 4.1/6219=3, 7909/4.0=2 HB2 LEU 101 - HA LEU 111 poor 9 87 - 10 - 7878/7916=2, 3.1/7716=2...(4) HB3 GLU 38 - HA LEU 111 lone 7 78 - 9 - 7909/4.0=4 HG LEU 21 - HA LEU 111 lone 7 100 - 7 - ~6405=1 HB2 GLU 15 - HA LEU 111 lone 7 100 - 7 - ~6319=1, 7909/4.0=1 HG3 GLU 69 - HA LEU 111 lone 7 98 - 7 - 1.8/7250=1, 5.0/7244=1 HG2 GLU 64 - HA LEU 111 lone 4 97 - 4 - 7909/4.0=1 HB3 ARG 81 - HA LEU 111 lone 3 57 - 5 - ~1751=2 HB2 GLN 105 - HA LEU 111 lone 3 100 - 3 - Peak 6221 from cnoeabs.peaks (3.61, 2.08, 41.47 ppm; 4.47 A): 3 out of 8 assignments used, quality = 0.95: HA VAL 115 + HB2 LEU 114 OK 72 97 - 74 - 3.0/582=17, ~583=11...(24) * HA LEU 111 + HB2 LEU 114 OK 66 100 - 66 - 6220=16, 6224/4.6=13...(17) HD2 PRO 70 + HB2 LEU 114 OK 44 100 - 44 - 6223/1.8=5, 7945/3.1=4...(21) HA LYS 46 - HB2 LEU 114 OK 35 57 - 60 - 2.9/7952=9, ~7951=7...(24) HA ILE 80 - HB2 LEU 114 OK 34 60 - 57 - 3.0/5893=11, ~5894=7...(18) HA GLU 75 - HB2 LEU 114 OK 24 78 - 31 - 6094/3.0=5, 3.0/7315=4...(14) HA2 GLY 39 - HB2 LEU 114 lone 9 100 - 9 - 6223/1.8=1, 7944/3.0=1 HA2 GLY 48 - HB2 LEU 114 lone 4 71 - 6 - Peak 6222 from cnoeabs.peaks (1.50, 3.61, 57.62 ppm; 4.45 A): 5 out of 10 assignments used, quality = 0.94: * HB3 LEU 114 + HA LEU 111 OK 62 100 - 63 - 1.8/6220=14, 4.6/6224=12...(15) HG LEU 93 + HA LEU 111 OK 49 99 - 50 - 3.0/4992=6, 2.1/4994=5...(25) HG LEU 91 + HA LEU 111 OK 45 97 - 47 - 2.1/4995=9, 2.1/4994=5...(16) HB3 LEU 58 + HA LEU 111 OK 25 95 - 27 - 3.9/4990=3, ~8304=2...(12) HB2 LEU 24 + HA LEU 111 OK 20 99 - 19 - 1.8/4993=4, 2204/3.0=2...(9) HG3 ARG 92 - HA LEU 111 lone 6 99 - 6 - 4.9/6219=3 HG2 ARG 92 - HA LEU 111 lone 6 97 - 6 - 4.9/6219=3 HG2 ARG 85 - HA LEU 111 lone 5 100 - 5 - 4.0/6219=1 HD3 LYS 46 - HA LEU 111 lone 4 63 - 7 - 3.5/8418=1 HG2 LYS 109 - HA LEU 111 lone 3 83 - 4 - Peak 6223 from cnoeabs.peaks (3.61, 1.50, 41.47 ppm; 4.58 A): 4 out of 8 assignments used, quality = 0.96: HA VAL 115 + HB3 LEU 114 OK 72 97 - 74 - 3.0/583=16, ~582=12...(23) * HA LEU 111 + HB3 LEU 114 OK 65 100 - 65 - 6220/1.8=15, 6222=14...(15) HD2 PRO 70 + HB3 LEU 114 OK 40 100 - 40 - 6221/1.8=6, 7945/3.1=4...(17) HA LYS 46 + HB3 LEU 114 OK 35 57 - 61 - 2.9/7951=11, ~7952=7...(24) HA ILE 80 - HB3 LEU 114 OK 33 60 - 55 - 3.0/5894=11, ~5893=8...(16) HA GLU 75 - HB3 LEU 114 OK 21 78 - 27 - 6094/3.0=6, 6221/1.8=3...(12) HA2 GLY 39 - HB3 LEU 114 lone 9 100 - 9 - 6221/1.8=1, 7944/3.0=1 HA2 GLY 48 - HB3 LEU 114 lone 3 71 - 5 - Peak 6224 from cnoeabs.peaks (8.37, 3.61, 57.62 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.87: * H VAL 115 + HA LEU 111 OK 78 100 - 78 - 7925/3.6=18, 6226/4.8=17...(19) H ILE 80 + HA LEU 111 OK 40 99 - 40 - 7925/3.6=10, 6226/4.8=8...(17) H SER 74 - HA LEU 111 poor 10 78 - 12 - 7925/3.6=2, 6226/4.8=1...(4) Peak 6225 from cnoeabs.peaks (7.97, 4.06, 61.58 ppm; 4.46 A): 4 out of 7 assignments used, quality = 0.76: * H LEU 114 + HA SER 112 OK 59 100 - 59 - 1764/3.0=16, 4.6/6226=15...(9) H SER 44 + HA SER 112 OK 23 73 - 31 - 1602/3.0=6, 961=4...(13) H ALA 89 + HA SER 112 OK 17 92 - 18 - 1764/3.0=4, 1763=4...(6) H ARG 92 + HA SER 112 OK 11 97 - 11 - 6219/4.8=3, 1516/3.6=2...(4) H THR 17 - HA SER 112 poor 10 78 - 13 - 6219/4.8=3, 4.0/6341=2 H VAL 66 - HA SER 112 lone 8 97 - 9 - 1516/3.6=3, 8598/4.9=2 HE ARG 85 - HA SER 112 lone 5 97 - 5 - Peak 6226 from cnoeabs.peaks (8.37, 4.06, 61.58 ppm; 4.32 A): 2 out of 3 assignments used, quality = 0.86: * H VAL 115 + HA SER 112 OK 78 100 - 78 - 4.0/6227=22, 1770=19...(12) H ILE 80 + HA SER 112 OK 37 99 - 37 - 7925/3.0=8, 6224/4.8=6...(12) H SER 74 - HA SER 112 lone 6 78 - 8 - 1647/3.6=3, 7925/3.0=2 Peak 6227 from cnoeabs.peaks (2.14, 4.06, 61.58 ppm; 3.80 A): 1 out of 5 assignments used, quality = 0.73: * HB VAL 115 + HA SER 112 OK 73 100 - 73 - 6228=18, 2.1/7919=14...(18) HG12 ILE 80 - HA SER 112 poor 8 68 - 11 - 5.1/6226=4, 2.1/7412=2 HB2 PRO 30 - HA SER 112 lone 7 100 - 7 - 5115/7919=1 HB3 GLU 15 - HA SER 112 lone 6 100 - 6 - HG2 GLU 69 - HA SER 112 lone 3 96 - 3 - Peak 6228 from cnoeabs.peaks (4.06, 2.14, 31.33 ppm; 3.97 A): 4 out of 9 assignments used, quality = 0.92: * HA SER 112 + HB VAL 115 OK 81 100 - 82 - 6227=38, 7919/2.1=15...(18) HA LEU 55 + HB VAL 115 OK 35 100 - 35 - 7974/2.1=8, 7970/2.1=6...(13) HA SER 44 + HB VAL 115 OK 26 98 - 27 - 7974/2.1=6, 7970/2.1=4...(11) HA LYS 109 + HB VAL 115 OK 12 99 - 12 - 7974/2.1=3, 6205/4.4=2...(5) HA VAL 120 - HB VAL 115 poor 10 73 - 14 - 7970/2.1=3, ~8062=2...(7) HA LYS 31 - HB VAL 115 poor 10 73 - 13 - 2.9/112=3, 5.0/2375=3...(5) HA TYR 102 - HB VAL 115 lone 9 96 - 10 - 7974/2.1=2, 7746/3.0=2...(4) HA GLN 16 - HB VAL 115 poor 9 68 - 13 - 3.0/31=4, 3.6/5899=3...(5) HD3 PRO 37 - HB VAL 115 lone 4 92 - 4 - 7974/2.1=1 Peak 6229 from cnoeabs.peaks (8.02, 4.06, 61.58 ppm; 3.64 A): 2 out of 4 assignments used, quality = 0.96: H SER 112 + HA SER 112 OK 92 92 - 100 - 3.0=100 * H THR 116 + HA SER 112 OK 53 100 - 53 - 4.4/6227=14, 4.6/6226=10...(11) H THR 19 - HA SER 112 OK 16 100 - 16 - 1550=2, 572/3.6=2...(5) H THR 17 - HA SER 112 lone 7 73 - 9 - 4.0/6341=1, 1776=1 Peak 6231 from cnoeabs.peaks (8.02, 4.44, 62.45 ppm; 5.26 A): 3 out of 8 assignments used, quality = 0.91: * H THR 116 + HA SER 113 OK 76 100 - 76 - 1775=23, 3.8/6233=21...(11) H SER 112 + HA SER 113 OK 55 92 - 60 - 1515/3.0=23, 1764/3.6=16...(8) H THR 19 + HA SER 113 OK 15 100 - 15 - 6229/4.9=3, 1764/3.6=3...(5) H THR 116 - HA THR 121 poor 9 45 - 20 - 4.6/1781=6, ~1798=5...(5) H THR 17 - HA SER 113 poor 8 73 - 11 - ~6343=3, 1775=2, 6229/4.9=1 H SER 112 - HA THR 121 poor 8 37 - 22 - 565/3.0=8, 567/3.2=5...(6) H THR 19 - HA THR 121 lone 2 45 - 5 - ~1798=2 H THR 17 - HA THR 121 lone 1 27 - 2 - Peak 6232 from cnoeabs.peaks (4.37, 4.44, 62.45 ppm; 3.48 A): 2 out of 14 assignments used, quality = 0.47: * HB THR 116 + HA SER 113 OK 37 100 - 37 - 6233=22, 3.8/1775=9...(6) HA CYS 76 + HA SER 113 OK 15 93 - 16 - 2.9/1349=4, 3978/3.0=4...(6) HA LEU 93 - HA SER 113 lone 7 97 - 8 - 3.8/8525=5 HA LEU 93 - HA THR 121 poor 4 41 - 11 - 4473/3.2=3, ~1399=1 HB THR 116 - HA THR 121 lone 4 45 - 9 - 6233=3, 4.2/1781=3...(4) HA MET 11 - HA SER 113 lone 2 100 - 2 - HA GLN 105 - HA SER 113 lone 2 99 - 2 - HA ASP 100 - HA SER 113 lone 1 83 - 1 - HA SER 35 - HA SER 113 lone 1 100 - 1 - HA CYS 76 - HA THR 121 lone 1 38 - 2 - HA MET 11 - HA THR 121 lone 0 44 - 1 - HA SER 35 - HA THR 121 lone 0 44 - 1 - HA GLN 105 - HA THR 121 lone 0 43 - 1 - HA ASP 100 - HA THR 121 lone 0 32 - 1 - Peak 6233 from cnoeabs.peaks (4.44, 4.37, 67.81 ppm; 3.67 A): 3 out of 6 assignments used, quality = 0.56: * HA SER 113 + HB THR 116 OK 41 100 - 41 - 6232=24, 1775/3.8=10...(6) HA LYS 32 + HB THR 116 OK 15 90 - 17 - 2490/2.1=3, 1775/3.8=3...(8) HA SER 29 + HB THR 116 OK 12 100 - 12 - 1775/3.8=4, 1781/4.2=3 HA THR 121 - HB THR 116 poor 6 60 - 10 - 1781/4.2=3, 6232=3...(4) HA SER 90 - HB THR 116 lone 4 73 - 5 - 1781/4.2=1, 8525/4506=1 HA PRO 60 - HB THR 116 lone 2 63 - 3 - 1781/4.2=1 Peak 6235 from cnoeabs.peaks (8.02, 4.29, 57.63 ppm; 4.50 A): 4 out of 4 assignments used, quality = 0.83: * H THR 116 + HA LEU 114 OK 59 100 - 59 - 1773=19, 587/3.6=18...(10) H SER 112 + HA LEU 114 OK 45 92 - 49 - 1764/3.0=15, 7925/3.6=14...(12) H THR 17 + HA LEU 114 OK 15 73 - 20 - 1773=4, 587/3.6=4...(7) H THR 19 + HA LEU 114 OK 12 100 - 12 - 1518/3.6=4, 1764/3.0=3 Peak 6236 from cnoeabs.peaks (8.66, 4.29, 57.63 ppm; 4.09 A): 3 out of 5 assignments used, quality = 0.80: * H LEU 117 + HA LEU 114 OK 67 100 - 67 - 1780=23, 4.6/7941=11...(11) H LEU 59 + HA LEU 114 OK 23 99 - 23 - 7955/4.0=5, 1772/3.6=4...(8) H VAL 120 + HA LEU 114 OK 22 97 - 22 - 7955/4.0=5, 1772/3.6=5...(8) H ASN 12 - HA LEU 114 lone 7 98 - 7 - 1772/3.6=2, 7955/4.0=1 H ASN 106 - HA LEU 114 lone 2 65 - 4 - Peak 6237 from cnoeabs.peaks (1.77, 4.29, 57.63 ppm; 3.84 A): 5 out of 14 assignments used, quality = 0.90: * HB2 LEU 117 + HA LEU 114 OK 58 100 - 58 - 3.1/7941=14, 1.8/6240=13...(10) HG LEU 117 + HA LEU 114 OK 47 97 - 49 - 2.1/7941=17, 3.0/6240=11...(7) HB3 LYS 46 + HA LEU 114 OK 26 78 - 33 - 4.0/7953=5, 1.8/5060=4...(15) HB VAL 66 + HA LEU 114 OK 24 68 - 35 - 2.1/7194=9, 2.1/7193=8...(8) HB2 GLU 75 + HA LEU 114 OK 20 100 - 20 - 3.0/6094=5, 4.3/1351=2...(6) HB2 LEU 45 - HA LEU 114 lone 7 83 - 9 - 4.3/7953=5 HD3 LYS 109 - HA LEU 114 lone 5 99 - 5 - HD2 LYS 109 - HA LEU 114 lone 5 97 - 5 - HG3 PRO 30 - HA LEU 114 lone 5 97 - 5 - HB2 PRO 37 - HA LEU 114 lone 4 95 - 5 - HG2 GLN 42 - HA LEU 114 lone 4 93 - 4 - HB3 GLU 56 - HA LEU 114 lone 3 85 - 4 - HB2 LYS 32 - HA LEU 114 lone 2 95 - 2 - HG3 ARG 71 - HA LEU 114 lone 2 89 - 2 - Peak 6238 from cnoeabs.peaks (4.29, 1.77, 41.55 ppm; 4.52 A): 5 out of 7 assignments used, quality = 0.89: * HA LEU 114 + HB2 LEU 117 OK 69 100 - 69 - 7941/3.1=19, 6240/1.8=18...(10) HB3 SER 113 + HB2 LEU 117 OK 29 100 - 29 - 6240/1.8=7, 1780/4.0=6...(6) HA LYS 65 + HB2 LEU 117 OK 28 100 - 28 - 6240/1.8=7, 8015/3.1=5...(7) HB2 SER 78 + HB2 LEU 117 OK 22 100 - 21 - 6240/1.8=5, 8015/3.1=4...(6) HA ALA 122 + HB2 LEU 117 OK 10 73 - 14 - 8095/4.2=4, ~8097=3...(4) HA GLN 103 - HB2 LEU 117 lone 7 83 - 8 - 6240/1.8=2, 1786/4.2=2 HA GLU 94 - HB2 LEU 117 lone 5 73 - 6 - 6240/1.8=1 Peak 6239 from cnoeabs.peaks (2.23, 4.29, 57.63 ppm; 3.92 A): 4 out of 12 assignments used, quality = 0.82: * HB3 LEU 117 + HA LEU 114 OK 61 100 - 61 - 6240=16, 3.1/7941=15...(11) HB2 PRO 68 + HA LEU 114 OK 30 100 - 30 - 7958/4.0=5, 7227/4.0=5...(12) HB2 PRO 70 + HA LEU 114 OK 23 97 - 24 - 1.8/5058=3, 7958/4.0=3...(10) HG2 GLU 94 + HA LEU 114 OK 13 99 - 13 - 3.0/5060=2, 7958/4.0=1...(5) HG2 GLU 38 - HA LEU 114 lone 8 99 - 8 - HG3 GLU 38 - HA LEU 114 lone 8 99 - 8 - HG3 GLU 64 - HA LEU 114 lone 5 100 - 5 - HG3 GLU 15 - HA LEU 114 lone 5 87 - 6 - 3.0/5058=1 HG2 GLU 56 - HA LEU 114 lone 4 95 - 5 - HB3 PRO 37 - HA LEU 114 lone 4 87 - 5 - HG3 GLU 28 - HA LEU 114 lone 3 100 - 3 - HG2 GLU 28 - HA LEU 114 lone 3 100 - 3 - Peak 6240 from cnoeabs.peaks (4.29, 2.23, 41.55 ppm; 4.32 A): 4 out of 7 assignments used, quality = 0.86: * HA LEU 114 + HB3 LEU 117 OK 68 100 - 68 - 6239=18, 7941/3.1=18...(11) HB3 SER 113 + HB3 LEU 117 OK 27 100 - 27 - 6238/1.8=6, 1780/4.0=6...(7) HA LYS 65 + HB3 LEU 117 OK 25 100 - 25 - 6238/1.8=6, 8015/3.1=4...(6) HB2 SER 78 + HB3 LEU 117 OK 20 100 - 20 - 6238/1.8=5, 8015/3.1=4...(6) HA ALA 122 - HB3 LEU 117 poor 9 73 - 13 - 8095/4.2=3, ~8097=3...(4) HA GLN 103 - HB3 LEU 117 lone 6 83 - 7 - 6238/1.8=1, 1786/4.2=1 HA GLU 94 - HB3 LEU 117 lone 5 73 - 7 - 6238/1.8=1 Peak 6241 from cnoeabs.peaks (7.74, 4.29, 57.63 ppm; 4.77 A): 6 out of 6 assignments used, quality = 0.88: * H ASN 118 + HA LEU 114 OK 58 100 - 58 - 1786=20, 4.7/6236=15...(12) H LEU 91 + HA LEU 114 OK 31 97 - 32 - 1494/3.0=7, 4.5/5062=4...(10) H LEU 58 + HA LEU 114 OK 27 93 - 29 - 4.6/6236=5, 7052/4.0=4...(9) HE21 GLN 103 + HA LEU 114 OK 21 65 - 31 - 1.7/7953=8, ~7952=4...(10) H SER 90 + HA LEU 114 OK 18 93 - 20 - 436/3.0=6, 4.5/5056=3...(4) H LEU 126 + HA LEU 114 OK 10 96 - 11 - 8128/4.3=2, 1425/4.0=1 Peak 6243 from cnoeabs.peaks (7.74, 3.62, 65.99 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.62: * H ASN 118 + HA VAL 115 OK 62 100 - 62 - 1785=21, 1784/3.6=13...(10) H SER 90 - HA VAL 115 poor 10 93 - 10 - 7568/3.2=2, 4.5/1765=1...(4) H LEU 58 - HA VAL 115 poor 10 93 - 10 - 4.6/6248=3, 603/6248=2 H LEU 91 - HA VAL 115 lone 9 97 - 9 - 1220/3.2=2, 4.5/6244=2 H LEU 126 - HA VAL 115 lone 5 96 - 5 - HE21 GLN 103 - HA VAL 115 lone 2 65 - 3 - Peak 6244 from cnoeabs.peaks (0.82, 3.62, 65.99 ppm; 3.08 A): 2 out of 9 assignments used, quality = 0.96: QG1 VAL 115 + HA VAL 115 OK 94 99 - 95 - 3.2=89, 2.1/5114=14...(11) * HB2 ASN 118 + HA VAL 115 OK 31 100 - 31 - 4.0/6243=8, 1.8/6247=7...(9) HG13 ILE 22 - HA VAL 115 OK 26 90 - 29 - 5116/3.2=3, 5106/3.0=3...(13) QD1 ILE 22 - HA VAL 115 OK 22 81 - 28 - 3.0/5102=3, 2178/3.2=2...(11) QD1 LEU 111 - HA VAL 115 OK 20 71 - 29 - 5019=6, 3.1/4998=4...(9) QD1 LEU 93 - HA VAL 115 OK 15 99 - 15 - 590/3.6=2, 1362/3.0=2...(5) QD2 LEU 55 - HA VAL 115 OK 14 68 - 20 - 2.1/5102=3, 5116/3.2=2...(7) QD2 LEU 91 - HA VAL 115 OK 14 99 - 14 - 1362/3.0=1, 590/3.6=1 QD1 LEU 59 - HA VAL 115 lone 5 83 - 6 - Peak 6245 from cnoeabs.peaks (3.62, 0.82, 37.24 ppm; 4.51 A): 3 out of 7 assignments used, quality = 0.80: * HA VAL 115 + HB2 ASN 118 OK 54 100 - 54 - 6243/4.0=17, 6247/1.8=16...(11) HA LEU 111 + HB2 ASN 118 OK 39 97 - 40 - 6247/1.8=10, 1785/4.0=6...(11) HD2 PRO 70 + HB2 ASN 118 OK 30 99 - 31 - 6247/1.8=9, 2.3/5181=6...(9) HA ILE 80 - HB2 ASN 118 poor 9 85 - 11 - 1791/4.6=3, 6247/1.8=2 HA LYS 46 - HB2 ASN 118 lone 7 83 - 9 - 1791/4.6=3, 6247/1.8=2 HA2 GLY 39 - HB2 ASN 118 lone 4 95 - 5 - 6247/1.8=1, 1785/4.0=1 HA LEU 41 - HB2 ASN 118 lone 2 68 - 3 - Peak 6246 from cnoeabs.peaks (2.35, 3.62, 65.99 ppm; 4.08 A): 4 out of 9 assignments used, quality = 0.82: * HB3 ASN 118 + HA VAL 115 OK 50 100 - 50 - 6247=16, 4.0/6243=14...(10) HG2 PRO 70 + HA VAL 115 OK 43 100 - 43 - 1.8/3836=6, 2.3/3801=6...(17) HB VAL 18 + HA VAL 115 OK 24 100 - 24 - ~7978=6, 5458/3.6=5...(7) HG2 GLU 15 + HA VAL 115 OK 19 92 - 20 - 3.0/5100=4, 1925/3.0=3...(9) HB3 GLU 82 - HA VAL 115 lone 8 95 - 8 - 4.3/1682=2 HB2 GLU 82 - HA VAL 115 lone 8 95 - 8 - 4.3/1682=2 HB2 LEU 54 - HA VAL 115 lone 6 78 - 7 - HB2 GLN 103 - HA VAL 115 lone 4 85 - 5 - HG2 MET 11 - HA VAL 115 lone 2 71 - 3 - Peak 6247 from cnoeabs.peaks (3.62, 2.35, 37.24 ppm; 4.31 A): 3 out of 7 assignments used, quality = 0.78: * HA VAL 115 + HB3 ASN 118 OK 53 100 - 53 - 6243/4.0=16, 6246=15...(10) HA LEU 111 + HB3 ASN 118 OK 32 97 - 32 - 6245/1.8=10, 1785/4.0=6...(9) HD2 PRO 70 + HB3 ASN 118 OK 31 99 - 31 - 6245/1.8=7, 1785/4.0=5...(11) HA ILE 80 - HB3 ASN 118 lone 8 85 - 9 - 1791/4.6=2, 6245/1.8=2 HA LYS 46 - HB3 ASN 118 lone 6 83 - 7 - 1791/4.6=2, 6245/1.8=2 HA2 GLY 39 - HB3 ASN 118 lone 4 95 - 4 - 6245/1.8=1 HA LEU 41 - HB3 ASN 118 lone 2 68 - 3 - Peak 6248 from cnoeabs.peaks (7.60, 3.62, 65.99 ppm; 4.86 A): 4 out of 6 assignments used, quality = 0.91: * H LYS 119 + HA VAL 115 OK 68 100 - 68 - 4.6/6243=17, 1791=16...(14) H SER 113 + HA VAL 115 OK 54 87 - 62 - 1769/3.0=12, 7980/3.2=11...(12) H ARG 57 + HA VAL 115 OK 26 100 - 26 - 7980/3.2=5, 7979/3.2=5...(6) H GLU 56 + HA VAL 115 OK 14 71 - 20 - 7980/3.2=4, 4.8/5102=3...(8) H CYS 52 - HA VAL 115 poor 10 71 - 14 - 7980/3.2=2, 7979/3.2=2...(4) HD21 ASN 12 - HA VAL 115 lone 4 83 - 4 - Peak 6250 from cnoeabs.peaks (7.60, 3.83, 66.80 ppm; 4.47 A): 5 out of 12 assignments used, quality = 0.92: * H LYS 119 + HA THR 116 OK 68 100 - 68 - 7981/3.2=13, 1790=11...(23) H SER 113 + HA THR 116 OK 46 87 - 53 - 572/3.0=10, ~6233=9...(11) H LYS 119 + HA THR 19 OK 27 94 - 29 - 1382=4, 4.0/5201=3...(11) H ARG 57 + HA THR 116 OK 25 100 - 25 - 7044/3.6=7, 7981/3.2=5...(5) H GLU 56 + HA THR 116 OK 12 71 - 17 - 1782/3.6=4, 7981/3.2=3...(4) H SER 113 - HA THR 19 poor 8 77 - 11 - 572/3.0=2, ~6231=1 H ARG 57 - HA THR 19 lone 7 93 - 7 - HD21 ASN 12 - HA THR 116 lone 6 83 - 7 - 7981/3.2=1, 1782/3.6=1 H CYS 52 - HA THR 116 lone 5 71 - 7 - 7981/3.2=1, 6248/4.8=1 H GLU 56 - HA THR 19 lone 4 61 - 6 - H CYS 52 - HA THR 19 lone 3 61 - 5 - 836/3.6=1 HD21 ASN 12 - HA THR 19 lone 2 73 - 2 - Peak 6251 from cnoeabs.peaks (1.88, 3.83, 66.80 ppm; 3.71 A): 7 out of 30 assignments used, quality = 0.87: * HB2 LYS 119 + HA THR 116 OK 56 100 - 56 - 6252=10, 8457/3.2=8...(21) HB2 LYS 119 + HA THR 19 OK 23 94 - 25 - 5201=4, 8457/3.2=3...(11) HB2 LEU 58 + HA THR 19 OK 21 85 - 25 - 3355/3.0=3, 3.1/6372=3...(13) HB ILE 22 + HA THR 116 OK 21 73 - 28 - 5982=5, 6432/3.2=4...(11) HB2 LEU 58 + HA THR 116 OK 19 95 - 20 - 5646/3.6=4, 3.1/6372=2...(9) HB ILE 22 + HA THR 19 OK 18 64 - 28 - 5982=5, 3.9/1565=4...(11) HG LEU 84 + HA THR 116 OK 11 100 - 11 - 8359/3.2=3, ~7989=2...(4) HG LEU 55 - HA THR 116 lone 9 100 - 9 - 2.1/6370=1 HG LEU 55 - HA THR 19 lone 8 93 - 9 - ~6375=2, 6376/3.2=1, 2.1/6370=1 HB2 ARG 81 - HA THR 116 lone 7 76 - 10 - 4.0/1673=2, ~8605=2, 7438/3.2=1 HB2 LEU 84 - HA THR 116 lone 7 87 - 9 - ~8359=1, ~7989=1 HB3 LYS 109 - HA THR 19 lone 5 75 - 7 - ~6205=1 HG LEU 84 - HA THR 19 lone 5 93 - 6 - 8359/3.2=1 HB3 LYS 31 - HA THR 116 lone 5 100 - 5 - HB3 LYS 109 - HA THR 116 lone 5 85 - 6 - ~6205=1 HB2 LEU 84 - HA THR 19 lone 5 77 - 6 - HB2 ARG 92 - HA THR 116 lone 5 98 - 5 - 4.2/7593=2 HB3 GLU 28 - HA THR 116 lone 3 92 - 4 - HB2 GLU 28 - HA THR 116 lone 3 85 - 4 - HG3 PRO 68 - HA THR 19 lone 3 82 - 4 - 5693/3.6=2 HB2 ARG 81 - HA THR 19 lone 3 66 - 4 - 4.0/1673=1 HB3 LYS 31 - HA THR 19 lone 3 94 - 3 - HB VAL 50 - HA THR 116 lone 3 100 - 3 - HB3 GLU 28 - HA THR 19 lone 2 82 - 2 - HB2 GLU 28 - HA THR 19 lone 2 75 - 2 - HG3 PRO 68 - HA THR 116 lone 1 92 - 2 - HB3 GLU 73 - HA THR 116 lone 1 68 - 2 - HB VAL 50 - HA THR 19 lone 1 94 - 1 - HB2 ARG 92 - HA THR 19 lone 1 90 - 1 - HB3 GLU 73 - HA THR 19 lone 1 59 - 2 - Peak 6252 from cnoeabs.peaks (3.83, 1.88, 32.09 ppm; 3.20 A): 1 out of 12 assignments used, quality = 1.00: HA LYS 119 + HB2 LYS 119 OK 100 100 - 100 - 3.0=100 ! HA THR 116 - HB2 LYS 119 OK 44 100 - 44 - 6251=7, 3.2/8457=6...(16) HA THR 19 - HB2 LYS 119 OK 18 95 - 19 - 6251=3, 6253/1.8=2...(6) HA LEU 77 - HB2 LYS 119 OK 10 99 - 11 - 6108/1.8=1 HB3 SER 29 - HB2 LYS 119 poor 9 89 - 10 - 6254/1.8=1 HB2 SER 29 - HB2 LYS 119 lone 9 87 - 10 - 6254/1.8=1 HA3 GLY 88 - HB2 LYS 119 lone 6 90 - 7 - HA GLU 15 - HB2 LYS 119 lone 6 83 - 7 - 8187/2.9=1 HA2 GLY 88 - HB2 LYS 119 lone 5 83 - 6 - HA3 GLY 39 - HB2 LYS 119 lone 2 76 - 2 - HA3 GLY 104 - HB2 LYS 119 lone 1 68 - 2 - HB2 SER 35 - HB2 LYS 119 lone 1 65 - 2 - Peak 6253 from cnoeabs.peaks (1.94, 3.83, 66.80 ppm; 3.82 A): 8 out of 30 assignments used, quality = 0.91: * HB3 LYS 119 + HA THR 116 OK 56 100 - 57 - 1.8/6252=9, 6254=7...(20) HB ILE 80 + HA THR 116 OK 30 81 - 37 - 6109=6, 3.2/7411=6...(14) HB3 LYS 119 + HA THR 19 OK 24 94 - 26 - 1.8/5201=4, 5211=3...(12) HB ILE 80 + HA THR 19 OK 24 70 - 34 - 6109=5, 3.2/7411=5...(13) HG LEU 58 + HA THR 19 OK 23 87 - 26 - 2.1/6372=3, 2.1/6372=3...(12) HG LEU 58 + HA THR 116 OK 20 97 - 21 - 5648/3.6=4, 2.1/6372=2...(7) HB2 LEU 21 + HA THR 19 OK 11 79 - 14 - 3.8/1558=5, 4.6/1565=4 HB3 GLU 69 + HA THR 19 OK 10 94 - 11 - 3771/3.6=6, ~6379=2, 3.6/5461=1 HB3 PRO 30 - HA THR 116 lone 9 100 - 9 - ~589=2, 5916/3.6=1 HB2 LYS 109 - HA THR 19 lone 7 92 - 8 - ~6205=1, ~1550=1 HB2 LEU 21 - HA THR 116 lone 7 89 - 8 - 4.6/1565=3, 3.8/1558=2 HB3 MET 11 - HA THR 116 poor 7 65 - 11 - 1851/3.0=2, 3.0/5120=1...(4) HB2 LYS 109 - HA THR 116 lone 7 99 - 7 - ~6205=1 HB3 PRO 30 - HA THR 19 lone 5 93 - 5 - ~8421=1 HB3 GLU 94 - HA THR 116 lone 4 97 - 4 - ~7991=1 HB3 GLU 69 - HA THR 116 lone 3 100 - 3 - HB2 ARG 85 - HA THR 19 lone 3 93 - 3 - 4.0/5983=1 HB3 ARG 85 - HA THR 19 lone 3 93 - 3 - 4.0/5983=1 HB2 GLU 64 - HA THR 19 lone 3 92 - 3 - HB3 GLU 64 - HA THR 19 lone 3 90 - 3 - HB3 ARG 85 - HA THR 116 lone 3 100 - 3 - HB2 ARG 85 - HA THR 116 lone 3 100 - 3 - HB3 MET 11 - HA THR 19 lone 2 56 - 4 - HB2 GLU 38 - HA THR 116 lone 2 100 - 2 - HB3 GLU 94 - HA THR 19 lone 2 89 - 2 - HB2 GLU 64 - HA THR 116 lone 2 99 - 2 - HB3 GLU 64 - HA THR 116 lone 2 99 - 2 - HB2 GLU 38 - HA THR 19 lone 1 93 - 2 - HG LEU 45 - HA THR 116 lone 1 63 - 1 - HG LEU 45 - HA THR 19 lone 1 54 - 1 - Peak 6254 from cnoeabs.peaks (3.83, 1.94, 32.09 ppm; 3.23 A): 1 out of 24 assignments used, quality = 1.00: HA LYS 119 + HB3 LYS 119 OK 100 100 - 100 - 3.0=100 ! HA THR 116 - HB3 LYS 119 OK 44 100 - 45 - 6252/1.8=7, 6253=6...(17) HA LYS 119 - HB3 PRO 30 OK 26 88 - 30 - 5193=5, 3.0/5203=4...(11) HA THR 19 - HB3 LYS 119 OK 18 95 - 19 - 5201/1.8=3, 6253=3...(9) HB3 SER 29 - HB3 PRO 30 OK 16 73 - 23 - ~6571=7, ~6608=4...(7) HB2 SER 29 - HB3 PRO 30 OK 16 71 - 23 - ~6571=7, ~6608=4...(7) HA LEU 77 - HB3 LYS 119 OK 11 99 - 11 - 5201/1.8=2, 6108=1 HB3 SER 29 - HB3 LYS 119 OK 10 89 - 12 - 6252/1.8=2, 4.8/2380=1 HA GLU 15 - HB3 PRO 30 OK 10 67 - 15 - 1907/1.8=3, 8188/2.3=2...(6) HB2 SER 29 - HB3 LYS 119 OK 10 87 - 11 - 6252/1.8=1, 4.8/2380=1 HA LEU 77 - HB3 PRO 30 lone 8 85 - 10 - 3990/3.9=2, 8340/1.8=1, 6108=1 HA3 GLY 88 - HB3 LYS 119 lone 6 90 - 7 - 6252/1.8=1 HA GLU 15 - HB3 LYS 119 lone 6 83 - 7 - 8187/2.9=1, 5201/1.8=1 HA3 GLY 104 - HB3 PRO 30 poor 6 54 - 11 - ~8568=2, ~2373=1, 4760/3.0=1 HA THR 116 - HB3 PRO 30 lone 6 88 - 6 - ~589=1 HA2 GLY 88 - HB3 LYS 119 lone 6 83 - 7 - HA3 GLY 39 - HB3 PRO 30 lone 3 61 - 5 - 2.9/154=1, 3.6/6738=1 HA THR 19 - HB3 PRO 30 lone 3 79 - 3 - HA3 GLY 39 - HB3 LYS 119 lone 2 76 - 3 - HB2 SER 35 - HB3 PRO 30 lone 2 52 - 3 - HA3 GLY 104 - HB3 LYS 119 lone 1 68 - 2 - HB2 SER 35 - HB3 LYS 119 lone 1 65 - 2 - HA3 GLY 88 - HB3 PRO 30 lone 1 75 - 1 - HA2 GLY 88 - HB3 PRO 30 lone 1 67 - 1 - Peak 6255 from cnoeabs.peaks (8.65, 3.83, 66.80 ppm; 4.44 A): 2 out of 10 assignments used, quality = 0.99: H LEU 117 + HA THR 116 OK 97 97 - 100 - 3.6=100 * H VAL 120 + HA THR 116 OK 66 100 - 66 - 8440/3.2=13, 1796=13...(15) H LEU 117 - HA THR 19 OK 29 89 - 33 - 592/3.0=6, 593=6...(8) H LEU 59 - HA THR 116 OK 24 90 - 26 - 1519/3.0=4, 5904/3.2=4...(11) H VAL 120 - HA THR 19 OK 23 94 - 24 - 610=4, 4.6/6250=3...(8) H LEU 59 - HA THR 19 OK 14 80 - 17 - 4.9/6372=3, 4.9/6372=2...(6) H ASN 12 - HA THR 116 OK 12 85 - 14 - 5903/3.0=3, 1519/3.0=3...(4) H ASN 106 - HA THR 116 lone 8 89 - 8 - 524/3.0=2, 3.6/5120=1 H ASN 12 - HA THR 19 lone 3 75 - 4 - H ASN 106 - HA THR 19 lone 2 79 - 2 - Peak 6257 from cnoeabs.peaks (8.65, 3.99, 57.98 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.99: H LEU 117 + HA LEU 117 OK 97 97 - 100 - 3.0=100 * H VAL 120 + HA LEU 117 OK 67 100 - 68 - 1795=16, 4.0/8060=12...(15) H LEU 59 - HA LEU 117 OK 38 90 - 42 - 271/3.6=7, 5137/3.0=5...(15) H ASN 106 - HA LEU 117 lone 7 89 - 7 - 4.6/1310=1 H ASN 12 - HA LEU 117 lone 7 85 - 7 - 5144/3.0=1, 596/3.6=1 Peak 6258 from cnoeabs.peaks (2.30, 3.99, 57.98 ppm; 4.19 A): 3 out of 8 assignments used, quality = 0.87: * HB VAL 120 + HA LEU 117 OK 80 100 - 80 - 2.1/8060=22, 6259=21...(18) HG3 GLU 56 + HA LEU 117 OK 22 87 - 26 - 1.8/5133=4, 3289/3.0=3...(11) HB3 PRO 60 + HA LEU 117 OK 12 78 - 16 - 6259=3, ~7093=3, ~7092=2...(5) HG2 GLN 105 - HA LEU 117 lone 8 92 - 8 - HG3 GLN 105 - HA LEU 117 lone 8 90 - 8 - HB2 CYS 87 - HA LEU 117 lone 4 60 - 7 - 7519/3.6=1, 7540/7607=1 HG3 GLU 94 - HA LEU 117 lone 2 60 - 4 - HG2 GLN 16 - HA LEU 117 lone 2 99 - 2 - Peak 6259 from cnoeabs.peaks (3.99, 2.30, 31.75 ppm; 4.23 A): 6 out of 8 assignments used, quality = 0.94: * HA LEU 117 + HB VAL 120 OK 83 100 - 83 - 6258=29, 8060/2.1=22...(18) HA THR 62 + HB VAL 120 OK 37 99 - 38 - 8060/2.1=11, 1795/3.8=5...(10) HA ARG 81 + HB VAL 120 OK 19 100 - 19 - 8060/2.1=5, 1795/3.8=4...(4) HA THR 62 + HB3 PRO 60 OK 18 59 - 31 - ~7100=12, 3.0/7099=7...(7) HA PHE 107 + HB VAL 120 OK 12 85 - 14 - 6196/4.4=4, 8060/2.1=3...(4) HA LEU 117 + HB3 PRO 60 OK 11 61 - 18 - 6258=4, ~7093=3, ~7092=2...(5) HA ARG 81 - HB3 PRO 60 lone 5 60 - 9 - 4107/2.3=1 HA PHE 107 - HB3 PRO 60 lone 1 45 - 2 - Peak 6261 from cnoeabs.peaks (8.65, 3.55, 56.04 ppm; 4.91 A): 3 out of 5 assignments used, quality = 0.93: * H VAL 120 + HA ASN 118 OK 64 100 - 64 - 609/3.6=19, 1794/3.0=17...(12) H LEU 59 + HA ASN 118 OK 56 90 - 62 - 7072=14, 596/3.0=11...(16) H LEU 117 + HA ASN 118 OK 56 97 - 58 - 1787/3.0=18, 1522/3.6=12...(12) H ASN 12 - HA ASN 118 poor 9 85 - 11 - 1789/3.6=3, 596/3.0=2, 13/3.0=1 H ASN 106 - HA ASN 118 lone 5 89 - 5 - 1522/3.6=1 Peak 6262 from cnoeabs.peaks (7.69, 3.55, 56.04 ppm; 4.15 A): 2 out of 3 assignments used, quality = 0.75: * H THR 121 + HA ASN 118 OK 60 100 - 60 - 1800=20, 1792/3.6=16...(9) H LEU 111 + HA ASN 118 OK 38 97 - 39 - 1792/3.6=11, 4.7/8018=5...(14) HE21 GLN 103 - HA ASN 118 lone 6 83 - 7 - 1792/3.6=2, 753/3.0=1 Peak 6263 from cnoeabs.peaks (4.56, 3.55, 56.04 ppm; 5.26 A): 3 out of 8 assignments used, quality = 0.72: * HB THR 121 + HA ASN 118 OK 59 100 - 60 - 4.0/6262=21, 6264=21...(7) HA ASP 47 + HA ASN 118 OK 20 85 - 24 - ~6871=4, 3.0/3019=3...(8) HA LEU 27 + HA ASN 118 OK 13 71 - 19 - 3.0/8021=5, 3.0/8023=4...(7) HA GLU 82 - HA ASN 118 poor 9 90 - 10 - 3.0/5175=2, 3.0/5175=2 HA ASN 79 - HA ASN 118 lone 4 93 - 4 - HA ASN 99 - HA ASN 118 lone 4 100 - 3 - HA THR 95 - HA ASN 118 lone 3 96 - 4 - HA GLU 69 - HA ASN 118 lone 3 87 - 4 - Peak 6264 from cnoeabs.peaks (3.55, 4.56, 69.65 ppm; 5.42 A): 4 out of 4 assignments used, quality = 0.85: * HA ASN 118 + HB THR 121 OK 63 100 - 63 - 6263=25, 6262/4.0=22...(8) HD2 PRO 60 + HB THR 121 OK 42 100 - 42 - 8092/2.1=14, 1800/4.0=9...(9) HB2 ASP 47 + HB THR 121 OK 22 99 - 22 - 8092/2.1=5, 1800/4.0=4...(8) HA LEU 51 + HB THR 121 OK 13 97 - 13 - 1806/4.4=4, 8092/2.1=3 Peak 6266 from cnoeabs.peaks (7.69, 3.83, 59.51 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.82: * H THR 121 + HA LYS 119 OK 70 100 - 70 - 1523/3.6=24, 1792/3.0=21...(8) H LEU 111 + HA LYS 119 OK 39 97 - 40 - 1792/3.0=15, 1523/3.6=11...(10) HE21 GLN 103 - HA LYS 119 lone 6 83 - 7 - 1792/3.0=2, 1523/3.6=2 Peak 6267 from cnoeabs.peaks (7.65, 3.83, 59.51 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.52: * H ALA 122 + HA LYS 119 OK 52 100 - 53 - 1805=23, 1797/3.6=18...(7) H GLU 56 - HA LYS 119 poor 9 57 - 15 - 1797/3.6=5, 4.6/5190=4...(5) HD21 ASN 108 - HA LYS 119 lone 4 100 - 4 - 1797/3.6=2 Peak 6272 from cnoeabs.peaks (1.41, 3.83, 59.51 ppm; 3.54 A): 4 out of 10 assignments used, quality = 0.66: * QB ALA 122 + HA LYS 119 OK 41 100 - 41 - 2.9/6267=21, 6273=12...(5) HG LEU 59 + HA LYS 119 OK 27 97 - 28 - 3410/3.6=4, 8414/3.0=3...(10) HB2 LEU 111 + HA LYS 119 OK 13 76 - 18 - 3.8/6266=5, ~1791=2...(4) HB2 LEU 51 + HA LYS 119 OK 10 99 - 10 - 5606/3.0=2, ~604=1, ~5607=1 HB VAL 110 - HA LYS 119 poor 10 85 - 11 - 4.4/6266=5, ~7865=2...(4) HB2 LEU 27 - HA LYS 119 lone 8 90 - 9 - 8441/3.6=1, ~8028=1, ~8031=1 HB3 LEU 91 - HA LYS 119 lone 8 90 - 9 - 8364/8061=1, ~605=1 QB ALA 98 - HA LYS 119 lone 6 97 - 7 - 6273=1 HB3 LEU 101 - HA LYS 119 lone 6 68 - 9 - ~8031=2, ~8034=1 QB ALA 89 - HA LYS 119 lone 4 65 - 6 - Peak 6273 from cnoeabs.peaks (3.83, 1.41, 18.59 ppm; 3.42 A): 4 out of 42 assignments used, quality = 0.72: * HA LYS 119 + QB ALA 122 OK 40 100 - 40 - 6267/2.9=19, 6272=14...(4) HA3 GLY 88 + QB ALA 89 OK 30 47 - 64 - 4.3=50, 3.0/7550=7...(7) HA2 GLY 88 + QB ALA 89 OK 26 40 - 64 - 4.3=50, 3.0/7550=7...(7) HA LEU 77 + QB ALA 98 OK 10 57 - 18 - 4.0/7345=7, 7343=5...(4) HA THR 116 - QB ALA 122 poor 10 100 - 10 - 1805/2.9=3, 1810/3.6=2 HA LEU 77 - QB ALA 122 lone 6 100 - 6 - 7343=2, 1805/2.9=1 HA THR 19 - QB ALA 122 lone 5 97 - 5 - 1805/2.9=1, 1810/3.6=1 HA GLU 15 - QB ALA 98 lone 4 46 - 9 - 1904/3.5=2 HA LYS 119 - QB ALA 98 lone 3 58 - 6 - 6272=2 HA LYS 119 - QB ALA 89 lone 3 63 - 5 - 6272=1 HA THR 116 - QB ALA 98 lone 3 58 - 5 - HA THR 116 - QB ALA 89 lone 3 62 - 4 - HA LEU 77 - QB ALA 89 lone 2 61 - 4 - HB3 SER 29 - QB ALA 122 lone 2 83 - 3 - HA3 GLY 88 - QB ALA 122 lone 2 85 - 3 - HB2 SER 29 - QB ALA 122 lone 2 81 - 3 - HA THR 19 - QB ALA 98 lone 2 54 - 4 - HA2 GLY 88 - QB ALA 122 lone 2 76 - 2 - HA THR 19 - QB ALA 89 lone 2 58 - 3 - HA GLU 15 - QB ALA 122 lone 2 89 - 2 - HB3 SER 29 - QB ALA 89 lone 1 45 - 3 - HB2 SER 29 - QB ALA 89 lone 1 44 - 3 - HB2 SER 35 - QB ALA 122 lone 1 73 - 1 - HA3 GLY 104 - QB ALA 122 lone 1 76 - 1 - HB THR 33 - QB ALA 122 lone 1 60 - 1 - HA3 GLY 88 - QB ALA 98 lone 1 43 - 2 - HA THR 33 - QB ALA 122 lone 1 63 - 1 - HA2 GLY 88 - QB ALA 98 lone 1 37 - 2 - HA GLU 15 - QB ALA 89 lone 1 50 - 1 - HA3 GLY 39 - QB ALA 89 lone 1 36 - 2 - HB2 SER 35 - QB ALA 89 lone 1 39 - 1 - HA3 GLY 39 - QB ALA 122 lone 0 68 - 1 - HB3 SER 29 - QB ALA 98 lone 0 42 - 1 - HB2 SER 29 - QB ALA 98 lone 0 40 - 1 - HA3 GLY 104 - QB ALA 98 lone 0 37 - 1 - HA3 GLY 104 - QB ALA 89 lone 0 40 - 1 - HA THR 33 - QB ALA 98 lone 0 30 - 1 - HA3 GLY 39 - QB ALA 98 lone 0 33 - 1 - HB2 SER 35 - QB ALA 98 lone 0 36 - 1 - HB THR 33 - QB ALA 98 lone 0 28 - 1 - HA THR 33 - QB ALA 89 lone 0 32 - 1 - HB THR 33 - QB ALA 89 lone 0 31 - 1 - Peak 6275 from cnoeabs.peaks (7.65, 4.08, 64.53 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.91: * H ALA 122 + HA VAL 120 OK 88 100 - 88 - 1803=35, 624/3.6=34...(14) H GLU 56 + HA VAL 120 OK 16 57 - 28 - 1797/3.0=7, ~8300=4...(13) HD21 ASN 108 + HA VAL 120 OK 13 100 - 12 - 1524/3.6=4, 1797/3.0=4...(4) Peak 6276 from cnoeabs.peaks (8.16, 4.08, 64.53 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.87: * H ASP 123 + HA VAL 120 OK 87 100 - 87 - 1809=33, 8042/3.2=31...(8) Peak 6277 from cnoeabs.peaks (2.75, 4.08, 64.53 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.72: * HB2 ASP 123 + HA VAL 120 OK 72 100 - 72 - 1.8/6279=39, 6278=33 HB3 ASN 108 - HA VAL 120 lone 6 60 - 10 - 3.5/6275=4, ~1797=2 Peak 6278 from cnoeabs.peaks (4.08, 2.75, 40.70 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.71: * HA VAL 120 + HB2 ASP 123 OK 65 100 - 66 - 6279/1.8=33, 6277=32 HA SER 44 + HB2 ASP 123 OK 17 92 - 19 - 6280/1.8=7, 5574/4.2=4...(4) HA LYS 31 - HB2 ASP 123 lone 7 100 - 6 - 6280/1.8=3, 1809/4.0=2 HA LEU 55 - HB2 ASP 123 lone 5 68 - 7 - 6280/1.8=2, 1809/4.0=2 HA LEU 24 - HB2 ASP 123 lone 3 93 - 3 - 6280/1.8=1 HA SER 112 - HB2 ASP 123 lone 3 73 - 4 - Peak 6279 from cnoeabs.peaks (2.66, 4.08, 64.53 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.64: * HB3 ASP 123 + HA VAL 120 OK 64 100 - 64 - 6280=33, 1.8/6277=29 HE2 LYS 46 - HA VAL 120 lone 7 99 - 7 - ~8056=2, ~613=1 HG2 GLN 103 - HA VAL 120 lone 4 83 - 5 - 3.5/5923=2, 4746/3.6=1 Peak 6280 from cnoeabs.peaks (4.08, 2.66, 40.70 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.75: * HA VAL 120 + HB3 ASP 123 OK 69 100 - 69 - 6279=43, 6277/1.8=29 HA SER 44 + HB3 ASP 123 OK 18 92 - 19 - 6278/1.8=7, 5574/4.2=4...(4) HA LYS 31 - HB3 ASP 123 lone 7 100 - 7 - 6278/1.8=3, 1809/4.0=2 HA LEU 55 - HB3 ASP 123 lone 5 68 - 7 - 6278/1.8=2, 1809/4.0=2 HA LEU 24 - HB3 ASP 123 lone 3 93 - 3 - 6278/1.8=1 HA SER 112 - HB3 ASP 123 lone 3 73 - 4 - 6278/1.8=1 Peak 6281 from cnoeabs.peaks (8.16, 4.41, 62.70 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.85: * H ASP 123 + HA THR 121 OK 85 100 - 85 - 1525/3.6=44, 1807=37...(7) H ASP 123 - HA SER 113 poor 7 45 - 16 - 4.6/8110=6, 1807=3...(5) Peak 6284 from cnoeabs.peaks (2.09, 2.98, 38.58 ppm; 4.57 A): 4 out of 13 assignments used, quality = 0.66: HB2 LEU 101 + HB2 ASN 12 OK 37 97 - 38 - 6285/1.8=11, 4.0/1879=5...(12) HB3 PRO 70 + HB2 ASN 12 OK 23 93 - 25 - 6285/1.8=7, 2.3/8175=6...(5) HB2 GLU 15 + HB2 ASN 12 OK 21 100 - 21 - 6285/1.8=7, 3.0/8175=7...(4) HB2 ARG 57 + HB2 ASN 12 OK 10 87 - 12 - 6285/1.8=3, 3.7/1878=1 HB2 GLN 105 - HB2 ASN 12 lone 8 95 - 8 - 6285/1.8=3, ~7784=2 HB3 GLN 16 - HB2 ASN 12 lone 6 97 - 6 - 6285/1.8=2, 3.0/8175=1, ~6285=1 HB2 GLN 16 - HB2 ASN 12 lone 6 97 - 6 - 6285/1.8=2, 3.0/8175=1, ~6285=1 HB2 LEU 114 - HB2 ASN 12 lone 5 99 - 5 - 4.0/1766=2 HG3 GLU 69 - HB2 ASN 12 lone 4 100 - 4 - 6285/1.8=1 HB3 GLU 38 - HB2 ASN 12 lone 4 57 - 7 - ~8176=2, ~6286=1 HG2 GLU 64 - HB2 ASN 12 lone 4 87 - 4 - HG LEU 21 - HB2 ASN 12 lone 3 99 - 3 - HB ILE 63 - HB2 ASN 12 lone 2 68 - 3 - Peak 6285 from cnoeabs.peaks (2.10, 2.88, 38.58 ppm; 4.63 A): 4 out of 11 assignments used, quality = 0.72: HB2 LEU 101 + HB3 ASN 12 OK 39 100 - 40 - 6284/1.8=11, 6283/4.0=6...(12) HB2 GLU 15 + HB3 ASN 12 OK 28 99 - 28 - 4.0/8419=9, 3.0/8176=6...(5) HB3 PRO 70 + HB3 ASN 12 OK 26 98 - 27 - 6284/1.8=7, 6283/4.0=6...(5) HB2 GLN 105 + HB3 ASN 12 OK 12 87 - 14 - 7782=4, 1.8/7784=2...(4) HB2 ARG 57 - HB3 ASN 12 poor 9 76 - 12 - 6284/1.8=3, 3.7/1884=1 HB3 GLN 16 - HB3 ASN 12 lone 6 92 - 7 - 6284/1.8=2, ~6284=1, ~8175=1 HB2 GLN 16 - HB3 ASN 12 lone 6 90 - 7 - 6284/1.8=2, ~6284=1, ~8175=1 HG3 GLU 69 - HB3 ASN 12 lone 5 100 - 5 - 6284/1.8=1 HG2 GLU 64 - HB3 ASN 12 lone 3 76 - 4 - 1.8/8176=1, 6284/1.8=1 HB2 LEU 114 - HB3 ASN 12 lone 3 95 - 3 - 6284/1.8=1 HG LEU 21 - HB3 ASN 12 lone 3 96 - 3 - Peak 6287 from cnoeabs.peaks (0.93, 4.21, 60.93 ppm; 4.06 A): 5 out of 24 assignments used, quality = 0.96: QD2 LEU 27 + HA VAL 26 OK 57 98 - 58 - 4.4/94=11, 4.0/6523=7...(17) QD1 LEU 27 + HA VAL 26 OK 56 99 - 57 - 4.4/94=11, 4.0/6523=7...(17) QG2 ILE 22 + HA VAL 26 OK 49 99 - 49 - 2155=6, ~6422=6...(18) QG2 VAL 49 + HA VAL 26 OK 38 97 - 40 - 2.1/2244=5, 4.3/5439=4...(17) QG2 ILE 22 + HA SER 13 OK 37 100 - 37 - 6289/3.0=5, 2155=5...(17) QD2 LEU 27 - HA SER 13 OK 30 99 - 30 - 3.1/6521=3, 3.1/6522=3...(16) QD1 LEU 27 - HA SER 13 OK 30 100 - 30 - 3.1/6521=3, 3.1/6522=3...(16) QG2 VAL 115 - HA SER 13 OK 26 100 - 27 - 7972/3.0=6, 7975=5...(9) QD1 ILE 63 - HA VAL 26 OK 21 94 - 22 - 7146=4, 2.1/8311=2...(7) QD1 LEU 41 - HA VAL 26 OK 18 99 - 18 - 879/3.6=4, ~6752=2...(6) QD1 LEU 41 - HA SER 13 OK 17 100 - 17 - 6297/4.9=4, 6299/3.6=3...(4) QD1 LEU 55 - HA VAL 26 OK 17 98 - 17 - 4.6/1630=4, 3.1/8691=2...(6) QG2 VAL 49 - HA SER 13 OK 15 98 - 16 - 6299/3.6=3, 6297/4.9=2...(8) QD1 ILE 63 - HA SER 13 OK 14 96 - 14 - 7146=2, 2.1/8311=1...(6) QD1 LEU 117 - HA VAL 26 OK 11 81 - 13 - ~8222=2, ~8227=2...(4) HB2 GLN 42 - HA VAL 26 OK 11 94 - 11 - 2833/3.6=3, ~6786=1, 4.4/5495=1 QD1 LEU 126 - HA VAL 26 OK 11 79 - 13 - 2.1/5418=2, 5411=2, 2.1/5404=1 QG2 VAL 115 - HA VAL 26 OK 10 99 - 11 - 7975=2 QD1 LEU 55 - HA SER 13 OK 10 99 - 10 - 6289/3.0=1, 4.6/1630=1 HB2 GLN 42 - HA SER 13 lone 8 96 - 8 - 6297/4.9=1, 6299/3.6=1 QD1 LEU 126 - HA SER 13 lone 6 81 - 8 - 2.1/5418=1, 5411=1 QD1 LEU 117 - HA SER 13 lone 6 83 - 7 - 6299/3.6=2, 6297/4.9=1 QG2 ILE 124 - HA VAL 26 lone 2 58 - 3 - QG2 ILE 124 - HA SER 13 lone 1 60 - 1 - Peak 6288 from cnoeabs.peaks (0.93, 3.87, 63.11 ppm; 3.92 A): 6 out of 36 assignments used, quality = 0.69: QG2 ILE 22 + HB2 SER 13 OK 27 98 - 28 - 6289/1.8=5, 3.0/6292=4...(12) QG2 VAL 115 + HB2 SER 13 OK 23 98 - 23 - 7972/1.8=7, 7973=4...(8) QD2 LEU 27 + HB2 SER 13 OK 16 97 - 16 - 6289/1.8=3, ~6289=2...(7) QD1 LEU 27 + HB2 SER 13 OK 16 99 - 16 - 6289/1.8=3, ~6289=2...(7) QG2 ILE 22 + HA THR 33 OK 13 91 - 14 - 6428/2.9=3, 3.0/6292=2...(7) QD1 LEU 41 + HB2 SER 13 OK 11 100 - 11 - 6289/1.8=2, 6299/4.5=2, ~6008=1 QG2 VAL 49 - HB2 SER 13 lone 10 95 - 10 - 6299/4.5=2, 6289/1.8=2 QD1 ILE 63 - HB2 SER 13 lone 9 99 - 9 - 7146/3.0=2, 6289/1.8=1, ~6290=1 QD1 LEU 55 - HA THR 33 lone 8 94 - 8 - 3247/2.9=2, ~3254=1, ~3240=1 QD1 LEU 55 - HB2 SER 13 lone 8 100 - 8 - 6289/1.8=1 QG2 ILE 22 - HB2 SER 35 lone 7 88 - 8 - 6289/1.8=1, 3.0/6292=1 HB2 GLN 42 - HA THR 33 lone 7 82 - 8 - 3.0/6799=1 QD1 LEU 27 - HA THR 33 lone 6 92 - 7 - 8729/3.6=2 QG2 VAL 115 - HB2 SER 35 lone 6 88 - 7 - 7972/1.8=2 QD1 LEU 41 - HA THR 33 lone 6 95 - 7 - 8729/3.6=3 HB2 GLN 42 - HB2 SER 13 lone 6 90 - 7 - 6289/1.8=1, 3.0/6799=1 QG2 VAL 115 - HA THR 33 lone 6 91 - 6 - QD2 LEU 27 - HA THR 33 lone 5 90 - 5 - QD1 ILE 63 - HA THR 33 lone 4 92 - 4 - 7127/2.9=1 QD1 LEU 41 - HB2 SER 35 lone 4 92 - 4 - QD1 LEU 27 - HB2 SER 35 lone 4 90 - 4 - QD2 LEU 27 - HB2 SER 35 lone 3 87 - 4 - QG2 VAL 49 - HA THR 33 lone 3 86 - 4 - QD1 LEU 126 - HB2 SER 13 lone 3 71 - 5 - QD1 LEU 117 - HB2 SER 13 lone 3 73 - 4 - 6299/4.5=1 QD1 LEU 55 - HB2 SER 35 lone 2 92 - 3 - HB2 GLN 42 - HB2 SER 35 lone 2 79 - 3 - QD1 ILE 63 - HB2 SER 35 lone 2 89 - 2 - QG2 ILE 124 - HA THR 33 lone 2 62 - 3 - QG2 VAL 49 - HB2 SER 35 lone 2 84 - 2 - QD1 LEU 117 - HA THR 33 lone 1 65 - 2 - QD1 LEU 117 - HB2 SER 35 lone 1 63 - 2 - QD1 LEU 126 - HA THR 33 lone 1 62 - 1 - QD1 LEU 126 - HB2 SER 35 lone 1 60 - 1 - QG2 ILE 124 - HB2 SER 13 lone 1 71 - 1 - QG2 ILE 124 - HB2 SER 35 lone 1 60 - 1 - Peak 6289 from cnoeabs.peaks (0.92, 3.76, 63.11 ppm; 3.61 A): 4 out of 24 assignments used, quality = 0.54: QG2 ILE 22 + HB3 SER 13 OK 23 99 - 24 - 3.0/6291=3, 6288/1.8=3...(10) QG2 VAL 115 + HB3 SER 13 OK 21 99 - 22 - 7972=8, 7973/1.8=3...(7) QD2 LEU 27 + HB3 SER 13 OK 13 100 - 13 - 6288/1.8=2, 5504/4.0=1...(7) QD1 LEU 27 + HB3 SER 13 OK 13 99 - 13 - 6288/1.8=2, ~6288=1...(7) QD1 LEU 41 - HB3 SER 13 poor 10 93 - 11 - 6299/4.5=2, 3.1/6008=1...(5) QG2 VAL 49 - HB3 SER 13 lone 8 100 - 8 - 6299/4.5=2, 4.3/5441=1 QG2 VAL 115 - HB3 SER 35 lone 7 98 - 7 - 7972=3 QG2 ILE 22 - HB3 SER 35 lone 6 98 - 6 - 3.0/6291=1 QD1 LEU 55 - HB3 SER 13 lone 6 89 - 6 - 2.1/7083=1 QD1 ILE 63 - HB3 SER 13 lone 6 76 - 7 - 3.2/6290=1, 7146/3.0=1 HB2 GLN 42 - HB3 SER 13 lone 6 100 - 6 - 4.0/1593=1 QD2 LEU 41 - HB3 SER 13 lone 4 60 - 7 - 3.1/6008=1, 4.3/1586=1 QD1 LEU 126 - HB3 SER 13 lone 4 97 - 4 - QD1 LEU 117 - HB3 SER 13 lone 4 98 - 4 - 6299/4.5=1 QD1 LEU 41 - HB3 SER 35 lone 4 91 - 4 - QD2 LEU 27 - HB3 SER 35 lone 3 98 - 3 - QD1 LEU 27 - HB3 SER 35 lone 3 97 - 3 - HB2 GLN 42 - HB3 SER 35 lone 2 99 - 2 - QD2 LEU 41 - HB3 SER 35 lone 2 58 - 3 - QD1 LEU 55 - HB3 SER 35 lone 2 86 - 2 - QD1 ILE 63 - HB3 SER 35 lone 2 73 - 2 - QG2 VAL 49 - HB3 SER 35 lone 2 99 - 2 - QD1 LEU 117 - HB3 SER 35 lone 1 96 - 1 - QD1 LEU 126 - HB3 SER 35 lone 1 95 - 1 - Peak 6290 from cnoeabs.peaks (0.76, 3.76, 63.11 ppm; 4.03 A): 5 out of 12 assignments used, quality = 0.61: HG LEU 111 + HB3 SER 13 OK 32 95 - 34 - 2.1/7900=8, 6294/4.5=7...(9) HG LEU 111 + HB3 SER 35 OK 16 92 - 17 - 2.1/7900=4, ~7901=2...(6) QD2 LEU 93 + HB3 SER 35 OK 13 96 - 13 - 2.1/6291=2, 3.8/2635=1...(6) QD1 LEU 91 + HB3 SER 35 OK 13 80 - 16 - 2.1/6291=4, 7588=3...(7) QD1 LEU 91 + HB3 SER 13 OK 10 83 - 13 - 2.1/6291=3, 7588=2...(5) QD2 LEU 93 - HB3 SER 13 lone 8 98 - 8 - 6294/4.5=2, 2.1/6291=1 QG2 VAL 66 - HB3 SER 13 lone 8 98 - 8 - 3.2/1895=1 QG2 ILE 63 - HB3 SER 13 lone 8 100 - 8 - 6294/4.5=1, 3.2/6289=1 QD1 LEU 84 - HB3 SER 13 lone 5 90 - 6 - 6294/4.5=2 QG2 ILE 63 - HB3 SER 35 lone 2 99 - 2 - QG2 VAL 66 - HB3 SER 35 lone 2 96 - 2 - QD1 LEU 84 - HB3 SER 35 lone 2 88 - 2 - Peak 6291 from cnoeabs.peaks (0.81, 3.76, 63.11 ppm; 4.00 A): 8 out of 14 assignments used, quality = 0.83: QD1 LEU 111 + HB3 SER 13 OK 40 97 - 42 - 7900=11, 7895/4.5=11...(7) QD1 ILE 22 + HB3 SER 13 OK 25 99 - 25 - 3.0/6289=5, 6292/1.8=5...(10) QD1 LEU 111 + HB3 SER 35 OK 19 94 - 20 - 7900=5, 2.1/6290=5...(6) QD2 LEU 91 + HB3 SER 35 OK 18 97 - 19 - 7587=4, 2.1/6290=4...(7) QG1 VAL 115 + HB3 SER 13 OK 15 78 - 19 - 2.1/7972=6, 6292/1.8=3...(6) QD2 LEU 91 + HB3 SER 13 OK 14 99 - 14 - 2.1/6290=3, 7587=3...(5) HG13 ILE 22 + HB3 SER 13 OK 13 57 - 22 - 3.2/6289=5, ~6292=3...(10) QD1 LEU 93 + HB3 SER 35 OK 12 78 - 15 - 2.1/6290=4, 4506/3.0=2...(5) QD1 ILE 22 - HB3 SER 35 lone 7 97 - 8 - 6292/1.8=1, 3.0/6289=1 QD1 LEU 93 - HB3 SER 13 lone 6 81 - 8 - 2.1/6290=2 QG1 VAL 115 - HB3 SER 35 lone 5 76 - 6 - 2.1/7972=2 HG13 ILE 22 - HB3 SER 35 lone 3 55 - 6 - 3.2/6289=1 HB2 ASN 118 - HB3 SER 13 lone 1 93 - 1 - HB2 ASN 118 - HB3 SER 35 lone 1 91 - 1 - Peak 6292 from cnoeabs.peaks (0.80, 3.87, 63.11 ppm; 4.35 A): 8 out of 18 assignments used, quality = 0.86: QD1 LEU 111 + HB2 SER 13 OK 46 99 - 47 - 7895/4.5=13, 7901=12...(8) QD1 ILE 22 + HB2 SER 13 OK 30 100 - 30 - 6291/1.8=6, 3.0/6288=4...(12) QD1 LEU 111 + HB2 SER 35 OK 20 90 - 22 - 7901=5, 7900/1.8=5...(7) QG1 VAL 115 + HB2 SER 13 OK 16 68 - 24 - ~7972=5, ~6289=4...(9) QD2 LEU 91 + HB2 SER 35 OK 15 85 - 18 - 6291/1.8=4, ~6290=3...(7) QD1 ILE 22 + HA THR 33 OK 12 94 - 13 - 6652/8184=2, ~6428=2...(6) QD2 LEU 91 + HB2 SER 13 OK 12 96 - 13 - 6291/1.8=3, ~6290=2...(5) QD1 LEU 111 + HA THR 33 OK 11 92 - 12 - 7901=3, 3.1/7899=1...(4) QD1 LEU 93 - HB2 SER 35 poor 9 60 - 15 - ~6290=3, 6291/1.8=3, 4506/3.0=2 QD1 ILE 22 - HB2 SER 35 lone 9 92 - 9 - 6291/1.8=2, 6652/8184=1...(4) QG1 VAL 115 - HB2 SER 35 lone 5 58 - 9 - ~7972=2, ~6289=1...(5) QD1 LEU 93 - HB2 SER 13 lone 5 71 - 7 - ~6290=2, 6291/1.8=1 QG1 VAL 115 - HA THR 33 lone 3 60 - 6 - 2.1/6288=1 QD2 LEU 91 - HA THR 33 lone 3 88 - 3 - HB2 ASN 118 - HB2 SER 13 lone 1 87 - 2 - QD1 LEU 93 - HA THR 33 lone 1 62 - 2 - HB2 ASN 118 - HB2 SER 35 lone 1 76 - 2 - HB2 ASN 118 - HA THR 33 lone 1 78 - 1 - Peak 6293 from cnoeabs.peaks (0.53, 3.87, 63.11 ppm; 4.47 A): 4 out of 9 assignments used, quality = 0.78: QG2 ILE 34 + HA THR 33 OK 41 60 - 69 - 918/3.6=23, 3.0/8184=13...(15) HG12 ILE 34 + HA THR 33 OK 40 62 - 64 - 4.6/5535=16, 2.1/8184=14...(14) QG2 ILE 34 + HB2 SER 35 OK 22 58 - 39 - 6661/4.5=20, 3.0/8184=7...(7) HG12 ILE 34 + HB2 SER 35 OK 20 60 - 33 - ~6657=14, 2.1/8184=8...(7) QG2 ILE 34 - HB2 SER 13 lone 6 68 - 9 - 3.0/8184=2, ~6644=1 HG12 ILE 34 - HB2 SER 13 lone 5 71 - 7 - 2.1/8184=3, ~6644=1 QD2 LEU 45 - HA THR 33 lone 4 52 - 7 - 919/3.6=4 QD2 LEU 45 - HB2 SER 13 lone 1 60 - 2 - QD2 LEU 45 - HB2 SER 35 lone 1 50 - 2 - Peak 6295 from cnoeabs.peaks (1.32, 4.02, 55.48 ppm; 4.28 A): 5 out of 9 assignments used, quality = 0.92: QG2 THR 17 + HA ALA 14 OK 80 99 - 81 - 2.1/5952=34, 3.0/6312=28...(11) HB3 LEU 84 + HA ALA 14 OK 30 97 - 31 - 3.1/6298=4, 6306/2.1=4...(12) HG3 LYS 46 + HA ALA 14 OK 22 99 - 22 - 6306/2.1=5, ~6306=4...(6) HG2 LYS 46 + HA ALA 14 OK 22 99 - 22 - 6306/2.1=5, ~6306=4...(6) HG3 LYS 119 + HA ALA 14 OK 12 100 - 11 - 6306/2.1=3, 1.8/1900=2, ~6308=1 QB ALA 43 - HA ALA 14 lone 9 95 - 10 - 6020/5952=3, 6306/2.1=1 QG2 THR 23 - HA ALA 14 lone 8 100 - 8 - 4.0/5442=2, 6306/2.1=1 HG CYS 87 - HA ALA 14 lone 6 99 - 6 - 6306/2.1=1 HB3 LEU 59 - HA ALA 14 lone 3 71 - 4 - Peak 6296 from cnoeabs.peaks (1.21, 4.02, 55.48 ppm; 4.43 A): 4 out of 6 assignments used, quality = 0.89: HB3 LEU 111 + HA ALA 14 OK 70 99 - 71 - 6303/2.1=19, 3.1/7902=18...(16) QG2 VAL 18 + HA ALA 14 OK 50 100 - 51 - 4.0/5954=18, 6362=10...(9) HB3 LEU 24 + HA ALA 14 OK 15 97 - 16 - 6303/2.1=5, 8266/6755=2...(4) HB2 LEU 77 + HA ALA 14 OK 11 89 - 13 - 6303/2.1=3, ~6303=1, 825/5954=1 HG2 LYS 32 - HA ALA 14 lone 9 99 - 9 - 6303/2.1=3, ~6307=1 HG LEU 77 - HA ALA 14 lone 6 68 - 9 - 6303/2.1=2, ~6303=1 Peak 6297 from cnoeabs.peaks (0.92, 4.02, 55.48 ppm; 3.58 A): 6 out of 11 assignments used, quality = 0.73: QD1 LEU 41 + HA ALA 14 OK 30 96 - 31 - 2.1/6755=12, 6304/2.1=4...(7) QG2 VAL 115 + HA ALA 14 OK 27 100 - 27 - 8603/6312=8, 6304/2.1=5...(9) QG2 ILE 22 + HA ALA 14 OK 17 100 - 17 - 6304/2.1=3, 6299/3.0=2...(7) QG2 VAL 49 + HA ALA 14 OK 16 100 - 16 - 5600/3.0=3, 6304/2.1=3...(7) QD2 LEU 27 + HA ALA 14 OK 13 100 - 13 - 6304/2.1=2, 6299/3.0=2...(4) QD1 LEU 27 + HA ALA 14 OK 13 99 - 13 - 6304/2.1=2, 6299/3.0=2...(4) HB2 GLN 42 - HA ALA 14 lone 10 100 - 10 - 6304/2.1=2, 6299/3.0=1 QD1 LEU 117 - HA ALA 14 poor 10 97 - 10 - 6304/2.1=3, 6299/3.0=1...(4) QD1 ILE 63 - HA ALA 14 lone 8 81 - 9 - 3.2/6298=2, 6299/3.0=1 QD1 LEU 55 - HA ALA 14 lone 4 92 - 4 - QD1 LEU 126 - HA ALA 14 lone 3 96 - 3 - Peak 6298 from cnoeabs.peaks (0.76, 4.02, 55.48 ppm; 3.59 A): 5 out of 7 assignments used, quality = 0.90: HG LEU 111 + HA ALA 14 OK 65 100 - 65 - 2.1/7902=16, 6305/2.1=11...(16) QD2 LEU 111 + HA ALA 14 OK 49 76 - 65 - 2.1/7902=17, 6305/2.1=10...(16) QD1 LEU 84 + HA ALA 14 OK 22 99 - 22 - 6305/2.1=4, 3.1/6295=3...(9) QD2 LEU 93 + HA ALA 14 OK 18 100 - 18 - 6305/2.1=3, 6294/3.0=2...(6) QG2 ILE 63 + HA ALA 14 OK 11 100 - 11 - 6305/2.1=2, 6294/3.0=1 QD1 LEU 91 - HA ALA 14 lone 7 96 - 7 - 6305/2.1=1, 6294/3.0=1 QG2 VAL 66 - HA ALA 14 lone 5 89 - 5 - Peak 6302 from cnoeabs.peaks (2.24, 4.02, 55.48 ppm; 4.77 A): 4 out of 14 assignments used, quality = 0.96: HG3 GLU 15 + HA ALA 14 OK 61 98 - 63 - 1928/3.6=26, 8191=14...(9) HG3 GLU 38 + HA ALA 14 OK 60 100 - 60 - 6716=10, 6711/2.1=8...(17) HG2 GLU 38 + HA ALA 14 OK 60 100 - 60 - 6716=10, 6711/2.1=8...(17) HB3 PRO 37 + HA ALA 14 OK 43 65 - 66 - ~6307=13, 6310/2.1=8...(19) HB3 LEU 117 - HA ALA 14 OK 20 98 - 21 - ~6307=3, 3.1/6297=3...(8) HB2 PRO 70 - HA ALA 14 OK 17 100 - 17 - 809/3.6=6, 7253/2.1=2...(6) HB2 CYS 87 - HA ALA 14 poor 9 65 - 14 - ~6311=2, 7537/2.1=1...(6) HG2 GLU 56 - HA ALA 14 lone 9 100 - 9 - 809/3.6=2, ~6307=1 HG3 GLU 64 - HA ALA 14 lone 8 100 - 8 - 809/3.6=1, 6310/2.1=1 HG3 GLU 28 - HA ALA 14 lone 7 97 - 7 - HG2 GLU 28 - HA ALA 14 lone 6 96 - 7 - HB2 PRO 68 - HA ALA 14 lone 5 99 - 5 - HG2 GLU 94 - HA ALA 14 lone 4 100 - 4 - HG3 GLU 94 - HA ALA 14 lone 2 65 - 3 - Peak 6303 from cnoeabs.peaks (1.21, 1.47, 17.70 ppm; 4.03 A): 3 out of 7 assignments used, quality = 0.78: HB3 LEU 111 + QB ALA 14 OK 62 100 - 62 - 6296/2.1=13, 3.0/6305=11...(13) QG2 VAL 18 + QB ALA 14 OK 30 99 - 30 - 6296/2.1=9, 8398=6...(7) HB3 LEU 24 + QB ALA 14 OK 16 99 - 16 - 6296/2.1=3, 2212=2...(5) HB2 LEU 77 - QB ALA 14 poor 9 78 - 12 - 6296/2.1=2, 4.0/6314=2 HG2 LYS 32 - QB ALA 14 lone 9 100 - 9 - 3.0/6307=2, 6296/2.1=2 HG LEU 77 - QB ALA 14 lone 7 81 - 9 - 5.0/6314=1, 6296/2.1=1, ~6296=1 HG13 ILE 124 - QB ALA 14 lone 2 65 - 3 - Peak 6304 from cnoeabs.peaks (0.91, 1.47, 17.70 ppm; 3.59 A): 9 out of 14 assignments used, quality = 0.81: QG2 VAL 115 + QB ALA 14 OK 25 93 - 26 - 8603/6313=6, 6297/2.1=6...(8) QD2 LEU 41 + QB ALA 14 OK 23 81 - 29 - 6755/2.1=10, 8263=4...(7) QD1 LEU 41 + QB ALA 14 OK 22 78 - 29 - ~6755=8, 6297/2.1=6...(7) QG2 VAL 49 + QB ALA 14 OK 16 97 - 16 - 6297/2.1=4, 5600/2.9=3...(6) QG2 ILE 22 + QB ALA 14 OK 14 93 - 16 - 6297/2.1=4, 6299/2.9=2...(5) QD1 LEU 117 + QB ALA 14 OK 13 100 - 13 - 3.1/6307=2, 6297/2.1=2...(5) QD2 LEU 27 + QB ALA 14 OK 13 95 - 14 - 6297/2.1=3, 6299/2.9=2...(5) QD1 LEU 27 + QB ALA 14 OK 12 90 - 14 - 6297/2.1=3, ~6297=2...(5) HB2 GLN 42 + QB ALA 14 OK 12 99 - 12 - 6297/2.1=2, 6773/6316=2...(4) QG1 VAL 49 - QB ALA 14 poor 9 63 - 15 - 5599/2.9=3, ~6297=2...(7) QD1 LEU 55 - QB ALA 14 lone 3 71 - 5 - QD1 LEU 126 - QB ALA 14 lone 3 100 - 2 - QD1 ILE 124 - QB ALA 14 lone 2 76 - 2 - QD2 LEU 59 - QB ALA 14 lone 1 63 - 2 - Peak 6305 from cnoeabs.peaks (0.75, 1.47, 17.70 ppm; 3.54 A): 5 out of 8 assignments used, quality = 0.91: HG LEU 111 + QB ALA 14 OK 63 100 - 64 - 6298/2.1=11, 3.0/6303=11...(17) QD2 LEU 111 + QB ALA 14 OK 58 95 - 62 - 3.1/6303=10, 2.1/7911=10...(17) QD1 LEU 84 + QB ALA 14 OK 24 100 - 24 - 6298/2.1=4, 3.1/6306=3...(10) QD2 LEU 93 + QB ALA 14 OK 17 98 - 17 - 6298/2.1=3, 6294/2.9=2...(6) QG2 ILE 63 + QB ALA 14 OK 10 92 - 11 - 6298/2.1=2, 6294/2.9=1 QD1 LEU 91 - QB ALA 14 lone 9 100 - 9 - 6298/2.1=1 QD1 LEU 114 - QB ALA 14 lone 4 78 - 5 - QG2 VAL 66 - QB ALA 14 lone 3 65 - 5 - Peak 6306 from cnoeabs.peaks (1.34, 1.47, 17.70 ppm; 3.82 A): 5 out of 9 assignments used, quality = 0.81: QG2 THR 17 + QB ALA 14 OK 60 99 - 61 - 3.0/6313=19, ~5952=17...(9) HG2 LYS 46 + QB ALA 14 OK 19 99 - 20 - 6295/2.1=3, ~6295=2...(7) HG3 LYS 46 + QB ALA 14 OK 19 99 - 20 - 6295/2.1=3, ~6295=2...(7) HB3 LEU 84 + QB ALA 14 OK 18 71 - 26 - 6295/2.1=4, 3.1/6305=4...(12) HG3 LYS 119 + QB ALA 14 OK 11 92 - 12 - 2.9/6308=2, 6295/2.1=2, ~1900=1 QG2 THR 23 - QB ALA 14 lone 6 87 - 7 - 4.0/5443=2, 6295/2.1=1 QB ALA 43 - QB ALA 14 lone 6 100 - 6 - 6295/2.1=1 HG CYS 87 - QB ALA 14 lone 5 78 - 7 - 4.6/6311=2, 3.4/7537=1 HB3 LEU 59 - QB ALA 14 lone 3 97 - 3 - Peak 6307 from cnoeabs.peaks (1.79, 1.47, 17.70 ppm; 3.67 A): 4 out of 14 assignments used, quality = 0.70: HB2 PRO 37 + QB ALA 14 OK 57 100 - 57 - 6702/3.7=9, 6678=8...(18) HB2 LEU 117 + QB ALA 14 OK 13 92 - 14 - 1.8/6310=2, 3.1/6304=2...(4) HB2 GLU 75 + QB ALA 14 OK 11 95 - 11 - 3957=2, 8666/3.7=2 HB3 ARG 57 + QB ALA 14 OK 10 73 - 14 - 1.8/6309=2, 3312=1 HG LEU 117 - QB ALA 14 poor 9 68 - 13 - 2.1/6304=3, 3.0/6310=2...(4) HB2 LYS 32 - QB ALA 14 lone 8 100 - 7 - 3.0/6303=2, 8666/3.7=1 HG3 PRO 30 - QB ALA 14 lone 7 71 - 10 - 2.3/6311=2, 8666/3.7=2 HB3 GLU 56 - QB ALA 14 lone 6 100 - 6 - HD3 LYS 109 - QB ALA 14 lone 6 76 - 8 - 3.9/6308=1 HG2 GLN 42 - QB ALA 14 lone 6 60 - 10 - 3.0/6304=2, 6777/6316=1...(4) HB2 PRO 60 - QB ALA 14 lone 5 92 - 6 - 6702/3.7=1 HD2 LYS 109 - QB ALA 14 lone 5 68 - 8 - 3.9/6308=1 HG2 GLU 75 - QB ALA 14 lone 5 71 - 7 - 3.0/3957=1 HB3 ARG 92 - QB ALA 14 lone 2 87 - 2 - Peak 6308 from cnoeabs.peaks (1.93, 1.47, 17.70 ppm; 4.25 A): 6 out of 19 assignments used, quality = 0.79: HB2 GLU 38 + QB ALA 14 OK 53 97 - 55 - 3.0/6311=16, 3.8/6314=10...(13) HB2 LEU 84 + QB ALA 14 OK 21 65 - 32 - 1.8/6306=5, 3.1/6305=5...(13) HB2 LYS 109 + QB ALA 14 OK 14 99 - 14 - 4.0/1326=2, 4.6/554=1...(7) HB3 LYS 119 + QB ALA 14 OK 14 95 - 15 - 2.9/6306=3, 1.8/5204=1...(5) HB ILE 22 + QB ALA 14 OK 13 81 - 16 - 2.1/6304=4, ~6297=3...(6) HB3 PRO 30 + QB ALA 14 OK 11 89 - 12 - 3.0/6311=3, 2.3/6307=2 HB3 ARG 85 - QB ALA 14 lone 8 89 - 10 - 4.0/5443=3, 5.0/6315=1 HB2 ARG 85 - QB ALA 14 lone 8 89 - 10 - 4.0/5443=3, 5.0/6315=1 HB3 GLU 64 - QB ALA 14 lone 7 100 - 7 - HB2 GLU 64 - QB ALA 14 lone 7 99 - 7 - HG LEU 58 - QB ALA 14 lone 7 100 - 7 - HB2 LEU 21 - QB ALA 14 lone 6 100 - 6 - HB ILE 80 - QB ALA 14 lone 5 99 - 5 - ~7409=1 HB2 ARG 81 - QB ALA 14 lone 4 78 - 6 - HB2 GLU 28 - QB ALA 14 lone 4 68 - 6 - 3.8/6314=2 HB3 GLU 94 - QB ALA 14 lone 4 76 - 5 - 4.0/460=1 HB3 GLU 73 - QB ALA 14 lone 3 85 - 4 - 3.0/6311=1 HB3 GLU 69 - QB ALA 14 lone 3 95 - 3 - HB3 MET 11 - QB ALA 14 lone 2 93 - 2 - Peak 6309 from cnoeabs.peaks (2.07, 1.47, 17.70 ppm; 3.80 A): 7 out of 15 assignments used, quality = 0.95: HB3 GLU 38 + QB ALA 14 OK 49 95 - 52 - 3.0/6311=13, 1.8/6308=8...(14) HB2 GLU 15 + QB ALA 14 OK 45 93 - 48 - 1910/3.7=18, 3.0/8187=9...(10) HG3 PRO 37 + QB ALA 14 OK 41 76 - 54 - 2.3/6307=13, 2.3/6310=7...(16) HB2 GLN 16 + QB ALA 14 OK 35 99 - 35 - 4.1/6315=7, 3.0/1902=5...(12) HB3 GLN 16 + QB ALA 14 OK 35 99 - 35 - 4.1/6315=7, 3.0/1902=5...(12) HB2 ARG 57 + QB ALA 14 OK 18 100 - 18 - 1.8/6307=3, 3304=2...(4) HB ILE 63 + QB ALA 14 OK 11 98 - 11 - 2.1/6305=2, ~6298=1 HB2 LEU 101 - QB ALA 14 poor 8 65 - 13 - 4.0/6316=4, 806/3.7=1...(4) HG2 GLU 64 - QB ALA 14 lone 7 100 - 7 - 1.8/6310=1 HG LEU 21 - QB ALA 14 lone 7 97 - 7 - 6407/6306=1 HB2 LEU 114 - QB ALA 14 lone 6 98 - 6 - HG3 PRO 60 - QB ALA 14 lone 4 65 - 7 - 2.3/6307=1, 6701/3.7=1 HB3 ARG 81 - QB ALA 14 lone 4 81 - 5 - HG3 GLU 69 - QB ALA 14 lone 3 87 - 4 - 806/3.7=1 HB2 GLN 105 - QB ALA 14 lone 3 100 - 3 - Peak 6310 from cnoeabs.peaks (2.23, 1.47, 17.70 ppm; 3.22 A): 6 out of 13 assignments used, quality = 0.90: HG2 GLU 38 + QB ALA 14 OK 40 96 - 42 - 6711=8, 4.0/6311=7...(15) HB3 PRO 37 + QB ALA 14 OK 40 95 - 42 - 1.8/6307=11, 3.9/6314=5...(16) HG3 GLU 38 + QB ALA 14 OK 40 95 - 42 - 6711=8, 4.0/6311=7...(15) HG2 PRO 37 + QB ALA 14 OK 28 68 - 42 - 2.3/6307=10, 6700/3.7=5...(17) HG3 GLU 15 + QB ALA 14 OK 25 76 - 33 - 1928/3.7=9, 1.8/6318=5...(9) HB3 LEU 117 + QB ALA 14 OK 12 100 - 12 - 1.8/6307=2, 3.1/6304=2 HB2 PRO 70 - QB ALA 14 lone 8 90 - 9 - 809/3.7=2 HG3 GLU 64 - QB ALA 14 lone 5 98 - 5 - HG3 GLU 28 - QB ALA 14 lone 4 100 - 4 - HG2 GLU 28 - QB ALA 14 lone 4 100 - 4 - HG2 GLU 56 - QB ALA 14 lone 4 87 - 4 - HG2 GLU 94 - QB ALA 14 lone 3 97 - 3 - HB2 PRO 68 - QB ALA 14 lone 2 99 - 2 - Peak 6311 from cnoeabs.peaks (3.76, 1.47, 17.70 ppm; 3.61 A): 3 out of 11 assignments used, quality = 0.67: HA GLU 38 + QB ALA 14 OK 51 100 - 51 - 6707=11, 3.0/6314=9...(13) HB3 SER 13 + QB ALA 14 OK 23 99 - 23 - 24/2.9=10, ~23=8, 4.0/6314=3 HA CYS 87 + QB ALA 14 OK 11 100 - 11 - 7531=2, 24/2.9=1, 3.0/7537=1 HD2 PRO 30 - QB ALA 14 lone 9 98 - 9 - 2.3/6307=1, 24/2.9=1, 3.0/6308=1 HB3 SER 35 - QB ALA 14 lone 8 100 - 8 - 5441/2.9=3, ~5440=2, ~23=1 HA LEU 54 - QB ALA 14 lone 5 97 - 5 - HA GLU 73 - QB ALA 14 lone 4 93 - 4 - HB3 SER 90 - QB ALA 14 lone 3 73 - 3 - HB2 SER 72 - QB ALA 14 lone 2 85 - 2 - HB3 SER 74 - QB ALA 14 lone 2 73 - 2 - HB2 SER 74 - QB ALA 14 lone 2 71 - 2 - Peak 6312 from cnoeabs.peaks (5.04, 4.02, 55.48 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.76: HG1 THR 17 + HA ALA 14 OK 76 100 - 76 - 2.8/5952=32, 6313/2.1=30...(11) Peak 6313 from cnoeabs.peaks (5.03, 1.47, 17.70 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.78: HG1 THR 17 + QB ALA 14 OK 78 100 - 79 - 6312/2.1=40, ~5952=24...(11) Peak 6314 from cnoeabs.peaks (8.51, 1.47, 17.70 ppm; 4.19 A): 5 out of 10 assignments used, quality = 0.84: H GLU 38 + QB ALA 14 OK 63 99 - 64 - 3.0/6311=16, 6704=12...(16) H SER 13 + QB ALA 14 OK 28 96 - 30 - 1428/2.9=23, 4.0/6311=5 H LEU 84 + QB ALA 14 OK 20 89 - 23 - 1487/3.7=3, 4.0/6306=3...(7) H LEU 77 + QB ALA 14 OK 12 100 - 12 - 4.0/6303=2, 21/2.9=1, 5.0/6303=1 H GLU 28 + QB ALA 14 OK 12 93 - 13 - 21/2.9=2, 4.8/6304=2, 4.8/6304=2 H PHE 40 - QB ALA 14 poor 9 73 - 13 - 4.6/6731=3, ~5952=2...(4) H LYS 31 - QB ALA 14 lone 9 90 - 10 - 896=2, 3.9/6308=1 H LEU 41 - QB ALA 14 poor 9 60 - 15 - 4.3/6304=4, 4.3/6304=3...(5) H GLU 94 - QB ALA 14 lone 6 65 - 9 - 460=1, 4.4/4486=1 H GLY 2 - QB ALA 14 lone 1 71 - 1 - Peak 6315 from cnoeabs.peaks (8.01, 1.47, 17.70 ppm; 5.07 A): 5 out of 5 assignments used, quality = 0.90: H THR 17 + QB ALA 14 OK 70 97 - 73 - 4.8/6313=25, 5951/2.1=23...(13) H THR 116 + QB ALA 14 OK 32 95 - 33 - 5951/2.1=6, 1539/3.7=6...(12) H THR 19 + QB ALA 14 OK 31 95 - 33 - 1550/2.1=11, 4.3/6303=7...(8) H SER 112 + QB ALA 14 OK 19 63 - 30 - 4.6/6303=14, 4.9/6305=11...(4) HE ARG 85 + QB ALA 14 OK 10 76 - 13 - 5951/2.1=2, 1533/3.7=2...(6) Peak 6316 from cnoeabs.peaks (6.98, 1.47, 17.70 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.64: QE PHE 107 + QB ALA 14 OK 47 97 - 49 - 4771/2.1=8, ~4764=6...(16) H LEU 101 + QB ALA 14 OK 18 99 - 18 - 1728/3.7=6, 6721/6311=1, 1274=1 HD22 ASN 108 + QB ALA 14 OK 16 100 - 16 - ~695=4, 5.7/1901=3...(4) HD22 ASN 12 - QB ALA 14 lone 3 83 - 3 - Peak 6317 from cnoeabs.peaks (1.78, 2.37, 36.48 ppm; 4.80 A): 8 out of 15 assignments used, quality = 0.89: HB2 PRO 37 + HG2 GLU 15 OK 52 100 - 53 - 6702/4.6=14, 8188/4.1=10...(9) HG3 PRO 30 + HG2 GLU 15 OK 28 81 - 34 - 6322/1.8=6, 2.3/1925=6...(11) HB2 GLU 75 + HG2 GLU 15 OK 27 98 - 28 - 6322/1.8=6, 1.8/6318=5...(8) HB2 LEU 117 + HG2 GLU 15 OK 23 97 - 24 - 6322/1.8=5, 8188/4.1=2...(12) HG LEU 117 + HG2 GLU 15 OK 16 78 - 20 - 6322/1.8=4, ~6322=3...(8) HB3 GLU 56 + HG2 GLU 15 OK 14 99 - 14 - 6322/1.8=3, 8188/4.1=2...(4) HG2 GLU 75 + HG2 GLU 15 OK 11 60 - 18 - 3.0/6318=4, ~6321=4...(6) HB3 ARG 57 + HG2 GLU 15 OK 10 63 - 16 - 3.0/6318=3, ~6321=2...(5) HB2 LYS 32 - HG2 GLU 15 lone 9 100 - 9 - 8188/4.1=3, 6322/1.8=2 HB2 PRO 60 - HG2 GLU 15 lone 8 85 - 9 - 6702/4.6=2, 8188/4.1=1 HD3 LYS 109 - HG2 GLU 15 lone 7 85 - 9 - 6322/1.8=1, 3.0/6318=1, ~6322=1 HD2 LYS 109 - HG2 GLU 15 lone 7 78 - 8 - 6322/1.8=1, 3.0/6318=1, ~6322=1 HG2 GLN 42 - HG2 GLU 15 lone 2 71 - 3 - HG3 ARG 71 - HG2 GLU 15 lone 2 63 - 3 - HB3 ARG 92 - HG2 GLU 15 lone 1 78 - 2 - Peak 6318 from cnoeabs.peaks (1.46, 2.37, 36.48 ppm; 4.70 A): 5 out of 16 assignments used, quality = 0.84: QB ALA 14 + HG2 GLU 15 OK 64 100 - 64 - 3.7/1922=27, 6321/1.8=13...(10) HB3 GLU 75 + HG2 GLU 15 OK 26 96 - 28 - 6321/1.8=6, 1.8/6317=5...(8) HB3 LEU 101 + HG2 GLU 15 OK 19 76 - 25 - 6321/1.8=4, 8187/4.1=4...(10) HG3 ARG 57 + HG2 GLU 15 OK 17 100 - 17 - 6321/1.8=3, 8187/4.1=2...(6) HG2 LYS 119 + HG2 GLU 15 OK 11 100 - 11 - 8187/4.1=2, 6321/1.8=2...(5) HD2 LYS 46 - HG2 GLU 15 lone 9 100 - 9 - 6321/1.8=2, 8187/4.1=1, 27/4.6=1 HB2 LEU 93 - HG2 GLU 15 lone 9 100 - 9 - 6321/1.8=2, 8187/4.1=1, 27/4.6=1 HG2 LYS 109 - HG2 GLU 15 lone 7 87 - 8 - 6321/1.8=1, 3.0/6317=1 HG LEU 24 - HG2 GLU 15 lone 6 96 - 6 - 8187/4.1=1, 6321/1.8=1 HD2 LYS 65 - HG2 GLU 15 lone 5 85 - 6 - 6321/1.8=1, 8187/4.1=1 HD3 LYS 65 - HG2 GLU 15 lone 5 85 - 6 - 6321/1.8=1, 8187/4.1=1 HB3 LEU 45 - HG2 GLU 15 lone 5 96 - 5 - HG3 LYS 31 - HG2 GLU 15 lone 4 100 - 4 - HB3 LEU 58 - HG2 GLU 15 lone 3 71 - 5 - QB ALA 89 - HG2 GLU 15 lone 3 78 - 3 - HG LEU 91 - HG2 GLU 15 lone 2 65 - 3 - Peak 6319 from cnoeabs.peaks (1.21, 3.85, 60.09 ppm; 3.79 A): 5 out of 6 assignments used, quality = 0.79: QG2 VAL 18 + HA GLU 15 OK 61 100 - 61 - 2.1/6320=16, 4.0/5956=14...(13) HB2 LEU 77 + HA GLU 15 OK 22 93 - 23 - 3.1/4019=3, 3998=3...(9) HB3 LEU 111 + HA GLU 15 OK 12 98 - 13 - 6303/8187=1, 3.1/7901=1...(4) HG2 LYS 32 + HA GLU 15 OK 11 97 - 12 - 3.0/8188=2, 3.0/8754=1 HG LEU 77 + HA GLU 15 OK 10 60 - 17 - 2.1/4019=4, ~7341=3...(7) HB3 LEU 24 - HA GLU 15 lone 7 93 - 7 - 3.0/8187=1 Peak 6320 from cnoeabs.peaks (0.99, 3.85, 60.09 ppm; 4.09 A): 3 out of 8 assignments used, quality = 0.71: QG1 VAL 18 + HA GLU 15 OK 60 100 - 60 - 2.1/6319=19, 4.0/5956=17...(11) QD1 LEU 101 + HA GLU 15 OK 21 100 - 21 - 3.1/8187=4, 4674/3.0=2...(7) QD2 LEU 58 + HA GLU 15 OK 10 100 - 10 - 8747=2, 826/5956=1, 2000/6319=1 QD1 LEU 58 - HA GLU 15 lone 8 96 - 9 - 2.1/8747=1 HG3 LYS 65 - HA GLU 15 lone 4 98 - 4 - 2.9/8187=1, 2.9/8187=1 HG2 LYS 65 - HA GLU 15 lone 4 98 - 4 - 2.9/8187=1, 2.9/8187=1 HB3 LEU 27 - HA GLU 15 lone 4 89 - 4 - QG2 THR 95 - HA GLU 15 lone 2 92 - 2 - Peak 6321 from cnoeabs.peaks (1.46, 2.25, 36.48 ppm; 4.64 A): 5 out of 15 assignments used, quality = 0.84: QB ALA 14 + HG3 GLU 15 OK 61 99 - 62 - 3.7/1928=25, 6318/1.8=13...(10) HB3 GLU 75 + HG3 GLU 15 OK 31 99 - 32 - 1.8/6322=5, 6318/1.8=5...(11) HB3 LEU 101 + HG3 GLU 15 OK 21 87 - 24 - 6318/1.8=4, 8187/4.1=4...(10) HG3 ARG 57 + HG3 GLU 15 OK 16 97 - 16 - 6318/1.8=3, 8187/4.1=2...(6) HB2 LEU 93 + HG3 GLU 15 OK 11 99 - 11 - 6318/1.8=2, 8187/4.1=1...(4) HG2 LYS 119 - HG3 GLU 15 lone 9 100 - 9 - 6318/1.8=2, 8187/4.1=2...(4) HD2 LYS 46 - HG3 GLU 15 lone 8 100 - 8 - 6318/1.8=2, 8187/4.1=1, 27/4.6=1 HG2 LYS 109 - HG3 GLU 15 lone 6 76 - 8 - 6318/1.8=1, 3.0/6322=1 HG LEU 24 - HG3 GLU 15 lone 6 99 - 6 - 8187/4.1=1, 6318/1.8=1 HD3 LYS 65 - HG3 GLU 15 lone 5 93 - 5 - HD2 LYS 65 - HG3 GLU 15 lone 5 93 - 5 - HB3 LEU 45 - HG3 GLU 15 lone 5 99 - 5 - HG3 LYS 31 - HG3 GLU 15 lone 4 99 - 4 - QB ALA 89 - HG3 GLU 15 lone 3 89 - 4 - HB3 LEU 91 - HG3 GLU 15 lone 2 63 - 3 - Peak 6322 from cnoeabs.peaks (1.78, 2.25, 36.48 ppm; 4.61 A): 6 out of 15 assignments used, quality = 0.85: HB2 PRO 37 + HG3 GLU 15 OK 44 99 - 45 - 6702/4.6=13, 6317/1.8=9...(8) HG3 PRO 30 + HG3 GLU 15 OK 30 90 - 33 - 2.3/1931=6, 6317/1.8=5...(12) HB2 GLU 75 + HG3 GLU 15 OK 27 100 - 27 - 1.8/6321=6, 6317/1.8=5...(11) HB2 LEU 117 + HG3 GLU 15 OK 24 99 - 24 - 6317/1.8=4, 5140=2...(13) HG LEU 117 + HG3 GLU 15 OK 18 89 - 21 - 6317/1.8=3, ~6317=2...(11) HB3 GLU 56 + HG3 GLU 15 OK 14 95 - 15 - 6317/1.8=2, 3277=1...(7) HB2 LYS 32 - HG3 GLU 15 lone 8 99 - 8 - 8188/4.1=2, 6317/1.8=2 HD3 LYS 109 - HG3 GLU 15 lone 7 93 - 7 - 6317/1.8=1, 3.0/6321=1 HD2 LYS 109 - HG3 GLU 15 lone 6 89 - 7 - 6317/1.8=1, 3.0/6321=1 HB2 PRO 60 - HG3 GLU 15 lone 6 73 - 8 - 6702/4.6=1, 6317/1.8=1 HG3 ARG 71 - HG3 GLU 15 lone 3 76 - 5 - 5.0/328=2 HB3 LYS 46 - HG3 GLU 15 lone 3 63 - 5 - 3.5/6321=1 HB2 LEU 45 - HG3 GLU 15 lone 2 68 - 4 - HG2 GLN 42 - HG3 GLU 15 lone 2 83 - 3 - HB3 ARG 92 - HG3 GLU 15 lone 1 65 - 2 - Peak 6323 from cnoeabs.peaks (1.25, 4.03, 58.89 ppm; 4.38 A): 3 out of 14 assignments used, quality = 0.68: QG2 THR 19 + HA GLN 16 OK 53 100 - 54 - 2.1/5963=18, 6378=17...(7) QG2 ILE 80 + HA GLN 16 OK 18 92 - 19 - 7390/3.0=3, 3.2/7412=3...(8) QD1 ILE 80 + HA GLN 16 OK 17 90 - 19 - 7412=4, ~31=2, ~5446=2...(6) QG2 THR 116 - HA GLN 16 poor 9 89 - 10 - 4.1/5961=3, 5126/3.6=1, ~29=1 QD1 ILE 80 - HA LYS 109 poor 8 40 - 19 - 7412=4, 7414/4693=2...(7) QG2 THR 19 - HA LYS 109 poor 7 49 - 15 - 6378=4, 2.1/5963=3...(4) QG2 ILE 80 - HA LYS 109 poor 5 42 - 12 - 3.2/7412=3 HG13 ILE 124 - HA LYS 109 lone 4 44 - 10 - ~1327=2, ~4905=2...(5) HG3 LYS 32 - HA LYS 109 lone 3 48 - 7 - HG LEU 77 - HA GLN 16 lone 3 85 - 4 - HG LEU 77 - HA LYS 109 lone 3 37 - 8 - 2.1/7351=2, 7884/3.6=1 QG2 THR 116 - HA LYS 109 lone 3 39 - 7 - 4.1/1776=1 HG3 LYS 32 - HA GLN 16 lone 2 99 - 2 - HG13 ILE 124 - HA GLN 16 lone 2 95 - 2 - Peak 6324 from cnoeabs.peaks (4.23, 2.30, 33.89 ppm; 4.54 A): 4 out of 33 assignments used, quality = 0.94: HA THR 17 + HG2 GLN 16 OK 72 100 - 72 - 3.0/5452=16, ~39=14...(15) HA VAL 26 + HG2 GLN 16 OK 48 98 - 49 - 8182/1.8=15, 8181=11...(11) HA SER 13 + HG2 GLN 16 OK 40 93 - 43 - 8182/1.8=13, 8181=10...(8) HB THR 19 + HG2 GLN 16 OK 27 85 - 32 - 5963/4.0=11, 6374/3.0=5...(7) HA ILE 22 - HG2 GLN 16 poor 10 93 - 11 - 1541/5.0=2, 6325/1.8=2...(5) HA CYS 52 - HG2 GLN 16 lone 7 99 - 7 - 6325/1.8=1 HA VAL 66 - HG2 GLN 16 lone 5 92 - 5 - HA THR 17 - HG2 GLN 105 poor 5 39 - 12 - 3.0/38=3, ~38=2, ~5452=1 HA THR 17 - HG3 GLN 105 poor 4 38 - 11 - 3.0/38=3, ~38=2, ~5452=1 HA VAL 26 - HG2 GLN 105 poor 4 38 - 10 - 8181=2, 8181/1.8=2 HA VAL 26 - HG3 GLN 105 poor 4 36 - 10 - 8181=2, 8181/1.8=2 HA ALA 89 - HG2 GLN 16 lone 3 95 - 3 - HA3 GLY 48 - HG2 GLN 16 lone 3 87 - 3 - HA LEU 58 - HG2 GLN 16 lone 2 73 - 3 - HA LEU 126 - HG2 GLN 16 lone 2 81 - 3 - HA SER 13 - HG2 GLN 105 lone 2 34 - 5 - HA SER 13 - HG3 GLN 105 lone 2 33 - 5 - HA ILE 22 - HG2 GLN 105 lone 2 34 - 4 - 5995/5.0=1 HA ILE 22 - HG3 GLN 105 lone 1 33 - 4 - 5995/5.0=1 HA CYS 52 - HG2 GLN 105 lone 1 38 - 3 - HA CYS 52 - HG3 GLN 105 lone 1 37 - 3 - HB THR 19 - HG2 GLN 105 lone 1 29 - 3 - HB THR 19 - HG3 GLN 105 lone 1 28 - 3 - HA LEU 58 - HG2 GLN 105 lone 1 24 - 3 - HA LEU 58 - HG3 GLN 105 lone 1 23 - 3 - HA VAL 66 - HG2 GLN 105 lone 0 33 - 1 - HA ALA 89 - HG2 GLN 105 lone 0 35 - 1 - HA VAL 66 - HG3 GLN 105 lone 0 32 - 1 - HA3 GLY 48 - HG2 GLN 105 lone 0 30 - 1 - HA ALA 89 - HG3 GLN 105 lone 0 33 - 1 - HA3 GLY 48 - HG3 GLN 105 lone 0 29 - 1 - HA LEU 126 - HG2 GLN 105 lone 0 27 - 1 - HA LEU 126 - HG3 GLN 105 lone 0 26 - 1 - Peak 6325 from cnoeabs.peaks (4.22, 2.40, 33.89 ppm; 4.63 A): 5 out of 11 assignments used, quality = 0.93: HA THR 17 + HG3 GLN 16 OK 66 92 - 72 - 3.0/39=21, ~5452=12...(15) HA VAL 26 + HG3 GLN 16 OK 50 100 - 50 - 8182=18, 8181/1.8=10...(10) HA SER 13 + HG3 GLN 16 OK 47 100 - 47 - 8182=17, 8181/1.8=9...(8) HB THR 19 + HG3 GLN 16 OK 18 60 - 30 - 5963/4.0=8, 6324/1.8=4...(9) HA ILE 22 + HG3 GLN 16 OK 11 100 - 11 - 1541/5.0=2, 1536/4.9=2...(6) HA CYS 52 - HG3 GLN 16 lone 6 100 - 6 - 1536/4.9=1, 6324/1.8=1 HA VAL 66 - HG3 GLN 16 lone 5 100 - 5 - HA LEU 126 - HG3 GLN 16 lone 2 97 - 3 - HA ALA 89 - HG3 GLN 16 lone 2 76 - 3 - HA3 GLY 61 - HG3 GLN 16 lone 2 68 - 3 - HA3 GLY 48 - HG3 GLN 16 lone 1 63 - 2 - Peak 6331 from cnoeabs.peaks (2.09, 4.23, 67.21 ppm; 4.74 A): 3 out of 12 assignments used, quality = 0.99: HB3 GLN 16 + HA THR 17 OK 84 96 - 88 - 8471/4.1=12, 3.0/5962=12...(24) HB2 GLN 16 + HA THR 17 OK 84 95 - 88 - 8471/4.1=12, 3.0/5962=12...(24) HG LEU 21 + HA THR 17 OK 64 98 - 66 - ~6337=18, ~8194=16...(14) HB2 LEU 114 - HA THR 17 OK 38 97 - 39 - 7942/3.2=6, ~6336=4...(15) HB2 GLU 15 - HA THR 17 OK 34 100 - 34 - 4.6/1536=7, 6355/3.5=5...(11) HB3 PRO 70 - HA THR 17 OK 14 96 - 15 - 6355/3.5=4, ~8461=2...(4) HG3 GLU 69 - HA THR 17 OK 11 100 - 11 - 6355/3.5=2, 3783/5966=2...(4) HB2 GLN 105 - HA THR 17 poor 9 92 - 10 - ~38=2, 37/3.0=1, ~5452=1 HB ILE 63 - HA THR 17 poor 8 63 - 13 - 3.2/7146=2, ~6334=1, 2.1/7145=1 HB2 LEU 101 - HA THR 17 lone 7 99 - 8 - 6355/3.5=1 HB2 ARG 57 - HA THR 17 lone 7 83 - 9 - HG2 GLU 64 - HA THR 17 lone 4 83 - 5 - Peak 6332 from cnoeabs.peaks (0.91, 4.23, 67.21 ppm; 4.64 A): 5 out of 14 assignments used, quality = 0.95: QG2 VAL 115 + HA THR 17 OK 66 93 - 71 - 8603/4.1=28, 7976/3.0=16...(15) QD2 LEU 41 + HA THR 17 OK 46 81 - 57 - 8728/3.5=18, 6756/3.0=13...(13) QG2 ILE 22 + HA THR 17 OK 39 93 - 42 - 4.0/5966=6, 6426/3.5=5...(15) QD1 LEU 41 + HA THR 17 OK 38 78 - 48 - ~6756=10, 8729/3.5=10...(10) QD2 LEU 27 + HA THR 17 OK 33 95 - 35 - 6354/3.5=5, 6335/3.2=4...(16) QD1 LEU 27 - HA THR 17 OK 27 90 - 30 - 6354/3.5=5, 6335/3.2=3...(11) HB2 GLN 42 - HA THR 17 OK 25 99 - 25 - 3.0/5969=7, ~8462=4...(7) QG2 VAL 49 - HA THR 17 OK 11 97 - 11 - 6354/3.5=1, 6335/3.2=1...(4) QD1 LEU 55 - HA THR 17 poor 9 71 - 12 - 6335/3.2=1, 3.1/6060=1 QD1 LEU 117 - HA THR 17 lone 8 100 - 8 - 6335/3.2=1, 6354/3.5=1 QD1 LEU 126 - HA THR 17 lone 6 100 - 6 - QG1 VAL 49 - HA THR 17 lone 5 63 - 7 - 4.0/5966=1 QD2 LEU 59 - HA THR 17 lone 4 63 - 6 - QD1 ILE 124 - HA THR 17 lone 2 76 - 3 - Peak 6333 from cnoeabs.peaks (0.92, 4.33, 67.65 ppm; 4.04 A): 5 out of 13 assignments used, quality = 0.94: QG2 VAL 115 + HB THR 17 OK 63 98 - 65 - 8603/2.8=30, 7976=17...(11) QD1 LEU 41 + HB THR 17 OK 48 89 - 54 - 2.1/6756=15, 6757=12...(13) QD2 LEU 41 + HB THR 17 OK 37 68 - 55 - 6756=14, 2.1/6757=10...(14) QG2 ILE 22 + HB THR 17 OK 27 98 - 28 - 6436/2.1=5, 3.0/6334=4...(12) HB2 GLN 42 + HB THR 17 OK 27 100 - 27 - 4.0/1589=5, 4.6/1597=4...(8) QD2 LEU 27 - HB THR 17 OK 25 99 - 25 - 6335/2.1=5, 2.1/6757=4...(9) QD1 LEU 27 - HB THR 17 OK 23 97 - 24 - 6757=4, 6335/2.1=4...(8) QG2 VAL 49 - HB THR 17 lone 8 100 - 8 - 6335/2.1=1, 6297/5952=1 QD1 LEU 55 - HB THR 17 lone 7 83 - 8 - 6335/2.1=1 QD1 LEU 117 - HB THR 17 lone 6 99 - 6 - 6335/2.1=1 QD1 ILE 63 - HB THR 17 lone 6 68 - 9 - 3.2/6334=2 QD1 LEU 126 - HB THR 17 lone 4 99 - 4 - QD1 ILE 124 - HB THR 17 lone 2 63 - 3 - Peak 6334 from cnoeabs.peaks (0.78, 4.33, 67.65 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.82: QD1 LEU 111 + HB THR 17 OK 78 90 - 86 - 8162/2.8=32, 8160=30...(10) QD1 ILE 22 + HB THR 17 OK 19 83 - 23 - 3.0/6333=3, ~6436=3...(10) QG2 VAL 66 - HB THR 17 lone 7 99 - 7 - ~6336=1 QG2 ILE 63 - HB THR 17 lone 7 83 - 8 - 2.1/6342=1, 7145/3.0=1 QD2 LEU 93 - HB THR 17 lone 2 68 - 3 - Peak 6335 from cnoeabs.peaks (0.91, 1.33, 22.28 ppm; 2.97 A): 7 out of 14 assignments used, quality = 0.83: QG2 VAL 115 + QG2 THR 17 OK 39 93 - 41 - 8603/3.0=14, 7976/2.1=7...(10) QD2 LEU 41 + QG2 THR 17 OK 27 81 - 33 - 6756/2.1=6, 8728/4.4=6...(11) QD1 LEU 41 + QG2 THR 17 OK 24 78 - 31 - 8265=7, ~6756=5...(11) QD2 LEU 27 + QG2 THR 17 OK 18 95 - 19 - 6529/6337=2, 6527/8194=2...(7) QG2 ILE 22 + QG2 THR 17 OK 17 93 - 19 - 6436=2, 6333/2.1=2...(8) HB2 GLN 42 + QG2 THR 17 OK 14 99 - 14 - 3.0/8462=3, 4.0/6784=2...(5) QD1 LEU 27 + QG2 THR 17 OK 13 90 - 15 - 8265=2, 6354/4.4=2...(5) QG2 VAL 49 - QG2 THR 17 lone 5 97 - 5 - QD1 LEU 117 - QG2 THR 17 lone 5 100 - 5 - QD1 LEU 55 - QG2 THR 17 lone 4 71 - 6 - QD1 LEU 126 - QG2 THR 17 lone 3 100 - 2 - QD2 LEU 59 - QG2 THR 17 lone 2 63 - 3 - QD1 ILE 124 - QG2 THR 17 lone 2 76 - 2 - QG1 VAL 49 - QG2 THR 17 lone 1 63 - 2 - Peak 6336 from cnoeabs.peaks (0.72, 1.33, 22.28 ppm; 3.01 A): 2 out of 7 assignments used, quality = 0.60: QD2 LEU 111 + QG2 THR 17 OK 51 95 - 54 - 2.1/8166=15, ~8162=8...(11) QD1 LEU 114 + QG2 THR 17 OK 19 100 - 19 - 2.1/7959=4, 2.1/6338=4...(5) QD2 LEU 54 - QG2 THR 17 lone 9 95 - 9 - 2.1/6337=5, 3217/6337=1 QD1 LEU 84 - QG2 THR 17 lone 5 63 - 9 - 3.9/6340=2, 2.1/4263=1 QG1 VAL 66 - QG2 THR 17 lone 3 73 - 4 - QD1 LEU 91 - QG2 THR 17 lone 2 73 - 2 - HG3 GLU 75 - QG2 THR 17 lone 1 89 - 2 - Peak 6337 from cnoeabs.peaks (0.23, 1.33, 22.28 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.67: QD2 LEU 21 + QG2 THR 17 OK 59 99 - 60 - 2.1/8194=25, 4.7/6346=12...(11) QD1 LEU 54 + QG2 THR 17 OK 20 97 - 20 - 2.1/6336=4, 2132/8194=3...(6) Peak 6338 from cnoeabs.peaks (1.98, 1.33, 22.28 ppm; 4.23 A): 4 out of 14 assignments used, quality = 0.75: HB2 LEU 41 + QG2 THR 17 OK 40 100 - 40 - ~6756=8, 3.1/8265=8...(10) HG LEU 114 + QG2 THR 17 OK 35 100 - 35 - 2.1/6336=10, 2.1/7959=7...(9) HB2 LYS 46 + QG2 THR 17 OK 25 87 - 29 - 4.0/6345=7, 3.0/8460=4...(10) HG LEU 45 + QG2 THR 17 OK 16 99 - 16 - 2.1/8194=6, 2.1/8283=2...(4) HB2 LEU 55 - QG2 THR 17 poor 9 81 - 11 - 3.0/6341=2, 3.1/6335=1 HB2 MET 11 - QG2 THR 17 lone 6 99 - 6 - 4.1/6346=3 HB3 GLN 103 - QG2 THR 17 lone 6 100 - 5 - 4.6/6345=1 HB ILE 124 - QG2 THR 17 lone 5 100 - 5 - HB3 PRO 68 - QG2 THR 17 lone 5 100 - 5 - HG2 PRO 68 - QG2 THR 17 lone 5 100 - 5 - HB2 ARG 71 - QG2 THR 17 lone 4 99 - 4 - 3.6/8462=1 HG2 PRO 60 - QG2 THR 17 lone 2 95 - 2 - HB2 GLU 94 - QG2 THR 17 lone 2 87 - 2 - HB3 GLU 94 - QG2 THR 17 lone 1 68 - 2 - Peak 6339 from cnoeabs.peaks (2.09, 1.33, 22.28 ppm; 3.48 A): 5 out of 13 assignments used, quality = 0.94: HG LEU 21 + QG2 THR 17 OK 59 100 - 59 - 2.1/6337=22, 2.1/8194=21...(11) HB3 GLN 16 + QG2 THR 17 OK 49 99 - 49 - 4.1/1982=10, 8471/3.0=8...(15) HB2 GLN 16 + QG2 THR 17 OK 49 99 - 49 - 4.1/1982=10, 8471/3.0=8...(15) HB2 LEU 114 + QG2 THR 17 OK 35 100 - 36 - 3.1/6336=6, 3.0/6338=5...(11) HB2 GLU 15 + QG2 THR 17 OK 10 100 - 10 - 6355/4.4=2, 37/4.0=2, 6331/3.2=2 HB3 PRO 70 - QG2 THR 17 poor 10 89 - 11 - 3.0/8461=2, 6355/4.4=2 HG3 GLU 69 - QG2 THR 17 lone 6 100 - 6 - HB2 LEU 101 - QG2 THR 17 lone 6 95 - 6 - 2137/6337=1, 2130/8194=1 HB2 ARG 57 - QG2 THR 17 lone 6 92 - 6 - HB ILE 63 - QG2 THR 17 lone 5 76 - 7 - HB2 GLN 105 - QG2 THR 17 lone 3 97 - 3 - HG2 GLU 64 - QG2 THR 17 lone 3 92 - 3 - HB3 GLU 38 - QG2 THR 17 lone 3 65 - 4 - Peak 6340 from cnoeabs.peaks (3.50, 1.33, 22.28 ppm; 4.82 A): 4 out of 5 assignments used, quality = 0.75: HA VAL 18 + QG2 THR 17 OK 55 71 - 77 - 3.0/5456=28, ~8464=19...(12) HA LEU 84 + QG2 THR 17 OK 26 100 - 26 - 6149/4.4=3, 4235=3...(12) HB3 SER 44 + QG2 THR 17 OK 18 99 - 18 - 3.0/6826=4, 4.0/185=3...(4) HB2 PHE 83 + QG2 THR 17 OK 11 96 - 11 - 1.8/8462=3, 4.5/1186=2, ~5969=1 HB2 PHE 96 - QG2 THR 17 lone 3 97 - 3 - Peak 6341 from cnoeabs.peaks (4.04, 1.33, 22.28 ppm; 4.32 A): 4 out of 8 assignments used, quality = 0.92: HA GLN 16 + QG2 THR 17 OK 64 96 - 67 - 3.6/1982=17, ~8472=14...(14) HA ALA 14 + QG2 THR 17 OK 59 76 - 77 - 5952/2.1=26, 6312/3.0=22...(11) HD3 PRO 37 + QG2 THR 17 OK 33 100 - 33 - 3.8/8469=25, 5953/2.1=2...(4) HA SER 44 + QG2 THR 17 OK 20 76 - 26 - ~1604=5, 3.0/6340=4...(7) HA SER 112 - QG2 THR 17 OK 19 93 - 20 - 4.8/8460=5, 3.6/6344=4...(7) HA TYR 102 - QG2 THR 17 OK 17 100 - 17 - 7737=4, 6664/8469=2...(5) HA LEU 55 - QG2 THR 17 OK 15 96 - 16 - 3.0/6338=2, 7008/6337=1 HA LYS 109 - QG2 THR 17 lone 8 99 - 8 - Peak 6342 from cnoeabs.peaks (2.08, 4.33, 67.65 ppm; 4.82 A): 3 out of 15 assignments used, quality = 0.98: HB2 GLN 16 + HB THR 17 OK 77 100 - 77 - 4.1/820=24, 8471/2.8=16...(17) HB3 GLN 16 + HB THR 17 OK 77 100 - 77 - 4.1/820=24, 8471/2.8=16...(17) HG LEU 21 + HB THR 17 OK 68 100 - 68 - ~6337=24, ~8194=21...(11) HB2 LEU 114 - HB THR 17 OK 37 100 - 37 - 7942/2.1=8, ~6336=6...(10) HB2 GLU 15 - HB THR 17 OK 15 98 - 15 - 6355/4.6=4, 37/4.0=3...(5) HB ILE 63 - HB THR 17 OK 11 93 - 12 - 2.1/6334=3, 7909/8160=1 HG3 PRO 37 - HB THR 17 poor 10 63 - 15 - 2.3/5953=5, ~6341=4, 6689/8470=3 HB3 PRO 70 - HB THR 17 poor 9 68 - 14 - 6355/4.6=3, ~8461=2...(6) HB2 ARG 57 - HB THR 17 lone 5 99 - 5 - 6339/2.1=1 HB2 LEU 101 - HB THR 17 lone 5 78 - 7 - 6339/2.1=1, 6355/4.6=1 HG3 GLU 69 - HB THR 17 lone 5 95 - 5 - 6355/4.6=1, 6339/2.1=1 HB2 GLN 105 - HB THR 17 lone 5 100 - 5 - HG2 GLU 64 - HB THR 17 lone 4 99 - 4 - HB3 GLU 38 - HB THR 17 lone 4 87 - 5 - 7909/8160=2 HB3 ARG 81 - HB THR 17 lone 3 68 - 5 - Peak 6343 from cnoeabs.peaks (7.57, 4.23, 67.21 ppm; 4.43 A): 4 out of 6 assignments used, quality = 0.72: HE3 TRP 20 + HA THR 17 OK 54 87 - 62 - 6344/3.2=19, 4.2/5967=15...(9) H CYS 52 + HA THR 17 OK 19 100 - 19 - 6344/3.2=4, 1006=3...(4) H CYS 76 + HA THR 17 OK 15 100 - 15 - 6344/3.2=5, 2.9/1976=2...(4) H SER 113 + HA THR 17 OK 14 97 - 14 - 6344/3.2=4, 4.6/1974=2 H ARG 57 - HA THR 17 lone 3 68 - 5 - H LYS 119 - HA THR 17 lone 3 60 - 6 - Peak 6344 from cnoeabs.peaks (7.55, 1.33, 22.28 ppm; 3.60 A): 3 out of 4 assignments used, quality = 0.58: HE3 TRP 20 + QG2 THR 17 OK 47 100 - 47 - 2.5/6345=14, 4640=9...(8) H CYS 76 + QG2 THR 17 OK 11 97 - 11 - 6343/3.2=2, 2.9/1984=1 H CYS 52 + QG2 THR 17 OK 11 87 - 12 - 6343/3.2=3, 3.0/1983=2...(4) H SER 113 - QG2 THR 17 poor 9 71 - 12 - 4.6/1982=2, 6343/3.2=2 Peak 6345 from cnoeabs.peaks (6.90, 1.33, 22.28 ppm; 4.27 A): 2 out of 4 assignments used, quality = 0.70: HZ3 TRP 20 + QG2 THR 17 OK 57 100 - 57 - 2.5/6344=24, 4643=11...(10) H LYS 46 + QG2 THR 17 OK 30 100 - 30 - 976=5, 4.0/6338=4...(10) QE TYR 102 - QG2 THR 17 lone 6 63 - 10 - 2.2/4820=2, 5.7/7737=2, 7753=1 HE22 GLN 103 - QG2 THR 17 lone 6 100 - 6 - Peak 6346 from cnoeabs.peaks (8.20, 1.33, 22.28 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.76: H LEU 21 + QG2 THR 17 OK 73 100 - 73 - 4.7/6337=20, 6401=20...(11) H MET 11 + QG2 THR 17 OK 12 99 - 12 - 2133/6337=3, 2126/8194=3...(5) H ASP 100 - QG2 THR 17 lone 8 83 - 10 - 2133/6337=2, 2.9/1984=2 Peak 6348 from cnoeabs.peaks (7.23, 0.98, 21.91 ppm; 3.69 A): 7 out of 14 assignments used, quality = 0.86: QE PHE 40 + QG1 VAL 18 OK 63 98 - 65 - ~6351=14, 6350/2.1=13...(10) QE PHE 40 + QD2 LEU 58 OK 20 89 - 22 - 2.2/6349=5, 4680=4...(7) QE PHE 96 + QD2 LEU 58 OK 15 79 - 19 - 4722/2.1=3, ~4729=2...(6) QD TYR 102 + QD2 LEU 58 OK 15 91 - 16 - 4746/2.1=3, 4746=2...(5) H LYS 65 + QD2 LEU 58 OK 14 81 - 17 - 1083=3, 302/2.1=2...(6) H LYS 65 + QG1 VAL 18 OK 12 92 - 13 - 6350/2.1=3, 1084=3, 7164/2.1=2 QD TYR 102 + QG1 VAL 18 OK 12 99 - 12 - 6350/2.1=3, 4746=2...(4) H VAL 26 - QD2 LEU 58 poor 10 72 - 14 - 6491/7067=4, 4.0/8226=2...(5) QE PHE 96 - QG1 VAL 18 lone 7 90 - 8 - 2.2/4712=1 H VAL 26 - QG1 VAL 18 lone 6 83 - 7 - 6491/7067=2 QD TYR 67 - QG1 VAL 18 lone 4 60 - 7 - 6350/2.1=2 QD TYR 67 - QD2 LEU 58 lone 3 51 - 5 - ~7050=1 HE ARG 71 - QG1 VAL 18 lone 1 71 - 1 - HE ARG 71 - QD2 LEU 58 lone 1 60 - 1 - Peak 6349 from cnoeabs.peaks (7.12, 0.98, 21.91 ppm; 4.04 A): 4 out of 10 assignments used, quality = 0.81: QD PHE 40 + QG1 VAL 18 OK 63 100 - 64 - 6351/2.1=29, 4670=15...(8) QD PHE 40 + QD2 LEU 58 OK 24 91 - 26 - 4670=5, 2.2/6348=4...(8) H LEU 93 + QD2 LEU 58 OK 20 65 - 31 - 3.8/7610=4, 7595=4...(12) QD PHE 83 + QG1 VAL 18 OK 13 100 - 13 - 6351/2.1=6, 6624/8195=1 H LEU 93 - QG1 VAL 18 poor 10 76 - 13 - 6351/2.1=2, 7595=2...(4) HE ARG 92 - QD2 LEU 58 lone 7 89 - 8 - 5.1/8404=2 HE ARG 53 - QG1 VAL 18 lone 5 78 - 7 - 6351/2.1=3 HE ARG 92 - QG1 VAL 18 lone 5 99 - 5 - 6351/2.1=2 QD PHE 83 - QD2 LEU 58 lone 4 93 - 5 - HE ARG 53 - QD2 LEU 58 lone 2 67 - 3 - Peak 6350 from cnoeabs.peaks (7.21, 1.21, 24.60 ppm; 3.82 A): 5 out of 5 assignments used, quality = 0.82: QE PHE 40 + QG2 VAL 18 OK 63 99 - 63 - 2.2/6351=27, 2.2/6352=14...(10) QD PHE 107 + QG2 VAL 18 OK 24 68 - 35 - 4806=7, 2.2/4793=6...(8) QD TYR 102 + QG2 VAL 18 OK 16 98 - 16 - 4.5/8405=2, 6348/2.1=2...(4) H LYS 65 + QG2 VAL 18 OK 15 100 - 15 - 1083/2.1=2, 7164/2.1=2 QD TYR 67 + QG2 VAL 18 OK 10 93 - 11 - 2.2/8394=1 Peak 6351 from cnoeabs.peaks (7.12, 1.21, 24.60 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.71: QD PHE 40 + QG2 VAL 18 OK 66 100 - 66 - 4668=21, 2.2/6350=14...(14) QD PHE 83 + QG2 VAL 18 OK 13 99 - 13 - 6349/2.1=2, 3.7/8392=2...(5) HE ARG 53 - QG2 VAL 18 lone 7 89 - 8 - 6769/8266=1, 8258/8391=1 H LEU 93 - QG2 VAL 18 lone 4 63 - 7 - 6349/2.1=2 HE ARG 92 - QG2 VAL 18 lone 4 95 - 4 - Peak 6352 from cnoeabs.peaks (7.30, 1.21, 24.60 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.83: HZ PHE 40 + QG2 VAL 18 OK 74 97 - 76 - 3.8/6351=27, 2.2/6350=23...(13) HZ2 TRP 20 + QG2 VAL 18 OK 21 65 - 32 - 6353/2.1=7, ~8504=7...(10) HD1 TRP 20 + QG2 VAL 18 OK 19 87 - 22 - ~8504=7, ~6385=3...(7) Peak 6353 from cnoeabs.peaks (7.32, 0.98, 21.91 ppm; 3.68 A): 4 out of 4 assignments used, quality = 0.80: HZ2 TRP 20 + QD2 LEU 58 OK 61 85 - 72 - 7049/2.1=27, 4652=17...(14) HZ PHE 40 + QG1 VAL 18 OK 26 71 - 37 - 2.2/6348=12, 6352/2.1=11...(5) HZ2 TRP 20 + QG1 VAL 18 OK 22 96 - 23 - 6388=6, 2.8/8504=5...(6) HZ PHE 40 + QD2 LEU 58 OK 10 60 - 17 - 7049/2.1=4, 2.2/6348=4...(4) Peak 6356 from cnoeabs.peaks (2.08, 3.48, 68.10 ppm; 4.64 A): 4 out of 14 assignments used, quality = 0.97: HG LEU 21 + HA VAL 18 OK 64 100 - 64 - 2.1/6359=20, 4.7/5973=18...(15) HB2 GLU 15 + HA VAL 18 OK 64 100 - 64 - ~5956=13, ~6320=9...(18) HB3 PRO 70 + HA VAL 18 OK 54 78 - 69 - 2.3/1988=10, 1.8/3816=10...(21) HB3 GLN 16 + HA VAL 18 OK 42 100 - 42 - ~5960=11, ~1546=7...(11) HB2 GLN 16 - HA VAL 18 OK 42 100 - 42 - ~5960=11, ~1546=7...(11) HG3 GLU 69 - HA VAL 18 OK 29 98 - 30 - 7248=5, 1.8/7247=5...(9) HB2 LEU 101 - HA VAL 18 OK 24 87 - 28 - 3.1/5976=4, 3.1/1990=3...(12) HB2 ARG 57 - HA VAL 18 OK 12 97 - 13 - ~8400=2, ~7037=1, ~8404=1 HB ILE 63 - HA VAL 18 poor 10 87 - 11 - ~8392=1 HB2 LEU 114 - HA VAL 18 lone 9 100 - 9 - 6355/3.0=2, 7942/8461=1 HG2 GLU 64 - HA VAL 18 lone 8 97 - 8 - 7248=1 HB2 GLN 105 - HA VAL 18 lone 5 100 - 5 - HB3 GLU 38 - HA VAL 18 lone 4 78 - 5 - HB3 ARG 81 - HA VAL 18 lone 3 57 - 5 - 3.0/7441=1 Peak 6357 from cnoeabs.peaks (1.32, 3.48, 68.10 ppm; 4.47 A): 7 out of 9 assignments used, quality = 0.92: QG2 THR 17 + HA VAL 18 OK 77 99 - 78 - 8461=26, 5456/3.0=24...(12) HB3 LEU 84 + HA VAL 18 OK 31 97 - 32 - 4247=4, 1.8/5975=4...(16) QG2 THR 23 + HA VAL 18 OK 13 100 - 13 - 6454/6359=3, 6454/6359=2...(4) QB ALA 43 + HA VAL 18 OK 13 95 - 14 - 45/3.0=3, 3.6/963=3...(4) HG CYS 87 + HA VAL 18 OK 13 99 - 13 - 5.6/5978=4, 3.4/6154=2...(4) HG2 LYS 46 + HA VAL 18 OK 13 99 - 13 - 45/3.0=2, ~45=2, ~8398=1 HG3 LYS 46 + HA VAL 18 OK 13 99 - 13 - 45/3.0=2, ~45=2, ~8398=1 HG3 LYS 119 - HA VAL 18 lone 8 100 - 8 - 45/3.0=1 HB3 LEU 59 - HA VAL 18 lone 3 71 - 4 - Peak 6358 from cnoeabs.peaks (0.91, 3.48, 68.10 ppm; 3.40 A): 8 out of 13 assignments used, quality = 0.95: QD1 LEU 41 + HA VAL 18 OK 50 87 - 57 - 2.1/6753=15, ~8728=8...(17) QD2 LEU 41 + HA VAL 18 OK 41 71 - 58 - 6753=14, 8728/3.0=10...(18) QD2 LEU 27 + HA VAL 18 OK 40 98 - 41 - 6532=13, 8397/3.2=4...(13) QD1 LEU 27 + HA VAL 18 OK 34 96 - 36 - 2.1/6532=11, 8397/3.2=4...(12) QG2 ILE 22 + HA VAL 18 OK 28 97 - 28 - 3.0/6440=6, 4.0/5978=6...(8) QG2 VAL 115 + HA VAL 18 OK 24 97 - 24 - 7978/3.2=8, 6354/3.0=4...(7) QG2 VAL 49 + HA VAL 18 OK 12 99 - 12 - 6906=3, 8280/3.0=1, 8397/3.2=1 HB2 GLN 42 + HA VAL 18 OK 11 100 - 11 - 8397/3.2=2, 6354/3.0=1 QD1 LEU 117 - HA VAL 18 lone 7 100 - 7 - 6906=1 QD1 LEU 55 - HA VAL 18 lone 6 81 - 8 - 6906=1 QD1 ILE 63 - HA VAL 18 lone 4 65 - 6 - QD1 ILE 124 - HA VAL 18 lone 3 65 - 5 - QD1 LEU 126 - HA VAL 18 lone 3 99 - 3 - Peak 6359 from cnoeabs.peaks (0.66, 3.48, 68.10 ppm; 3.86 A): 4 out of 4 assignments used, quality = 0.85: QD1 LEU 21 + HA VAL 18 OK 61 99 - 62 - 6417=21, 4.7/5973=12...(14) QD2 LEU 24 + HA VAL 18 OK 45 100 - 45 - 6369/3.2=8, 6470/3.2=7...(15) QD1 LEU 45 + HA VAL 18 OK 18 89 - 20 - 6369/3.2=4, 6754/6753=3...(8) QD1 LEU 77 + HA VAL 18 OK 12 65 - 18 - 3.1/1989=3, 2.1/1989=2...(9) Peak 6360 from cnoeabs.peaks (0.89, 2.36, 31.57 ppm; 4.55 A): 3 out of 20 assignments used, quality = 0.84: QD2 LEU 41 + HB VAL 18 OK 80 100 - 80 - 6753/3.0=20, 8728/4.0=20...(17) QG1 VAL 49 + HB VAL 18 OK 12 97 - 13 - 2.1/8280=2, ~6906=2...(5) HB2 GLN 42 + HB VAL 18 OK 10 71 - 15 - ~8399=2, ~6787=2...(9) QD1 LEU 117 - HB VAL 18 lone 8 89 - 9 - ~8011=1 QD1 ILE 124 - HB VAL 18 lone 8 100 - 8 - ~8401=1 QG2 VAL 49 - HB VAL 18 poor 7 63 - 11 - 8280=2, 6906/3.0=2...(4) HG13 ILE 80 - HB VAL 18 lone 3 76 - 4 - QD2 LEU 41 - HG2 MET 11 lone 3 58 - 5 - QD2 LEU 59 - HB VAL 18 lone 3 97 - 3 - QD1 LEU 126 - HB VAL 18 lone 2 90 - 3 - QD1 ILE 124 - HG2 MET 11 lone 2 57 - 4 - QD2 LEU 126 - HB VAL 18 lone 2 83 - 2 - QG1 VAL 49 - HG2 MET 11 lone 2 54 - 3 - QD2 LEU 59 - HG2 MET 11 lone 2 54 - 3 - HG13 ILE 80 - HG2 MET 11 lone 1 37 - 3 - QD1 LEU 117 - HG2 MET 11 lone 1 46 - 2 - QG2 VAL 49 - HG2 MET 11 lone 1 30 - 3 - HB2 GLN 42 - HG2 MET 11 lone 1 34 - 2 - QD1 LEU 126 - HG2 MET 11 lone 0 47 - 1 - QD2 LEU 126 - HG2 MET 11 lone 0 42 - 1 - Peak 6361 from cnoeabs.peaks (3.84, 1.21, 24.60 ppm; 3.84 A): 4 out of 11 assignments used, quality = 0.93: HA GLU 15 + QG2 VAL 18 OK 67 99 - 67 - 6319=25, 6320/2.1=17...(13) HA THR 19 + QG2 VAL 18 OK 58 100 - 58 - 3.0/49=15, ~5458=9...(11) HA LEU 77 + QG2 VAL 18 OK 35 99 - 35 - 3992=7, 3.0/1140=4...(15) HA THR 33 + QG2 VAL 18 OK 25 89 - 28 - 3.6/1996=9, 5535/4.0=4...(9) HA THR 116 - QG2 VAL 18 OK 24 93 - 26 - 3.0/5459=6, 6372/2.1=3...(8) HB THR 33 - QG2 VAL 18 OK 21 87 - 24 - 4.6/1996=7, 5536/4.0=5...(9) HA LYS 119 - QG2 VAL 18 OK 12 97 - 12 - ~606=2, 5958/2.1=1...(5) HB2 SER 35 - QG2 VAL 18 lone 6 95 - 6 - 8184/8396=1 HA3 GLY 104 - QG2 VAL 18 lone 4 96 - 4 - HB2 SER 13 - QG2 VAL 18 lone 4 65 - 5 - HA3 GLY 88 - QG2 VAL 18 lone 3 57 - 4 - ~7552=2, ~1709=1 Peak 6362 from cnoeabs.peaks (4.01, 1.21, 24.60 ppm; 5.16 A): 4 out of 7 assignments used, quality = 0.91: HA ALA 14 + QG2 VAL 18 OK 60 99 - 61 - 5954/4.0=24, 6296=15...(11) HA GLN 16 + QG2 VAL 18 OK 46 89 - 52 - 5960/4.0=18, 3.6/6328=11...(10) HD3 PRO 37 + QG2 VAL 18 OK 45 63 - 71 - 3.0/8403=15, 2.3/8403=15...(12) HA PHE 107 + QG2 VAL 18 OK 25 98 - 25 - 3.7/4806=8, 5.6/4793=5...(7) HA ARG 81 - QG2 VAL 18 poor 8 76 - 11 - 3.6/8405=2, 7441/3.2=1 HA LEU 117 - QG2 VAL 18 poor 7 63 - 11 - ~5649=2, 3.0/8403=2, 3.8/8397=1 HA THR 62 - QG2 VAL 18 lone 4 81 - 5 - Peak 6364 from cnoeabs.peaks (0.18, 0.99, 21.76 ppm; 3.33 A): 3 out of 6 assignments used, quality = 0.72: QD1 ILE 34 + QG1 VAL 18 OK 50 90 - 56 - 8396/2.1=17, 6651=15...(11) QD1 LEU 54 + QD2 LEU 58 OK 30 60 - 51 - 7065/2.1=22, 6986=10...(11) QD1 ILE 34 + QD2 LEU 58 OK 19 99 - 19 - 6651=5, 7065/2.1=5...(4) QD1 LEU 54 - QG1 VAL 18 lone 5 51 - 10 - 6993/7067=3, 6986=2 QD2 LEU 51 - QG1 VAL 18 lone 4 51 - 8 - 8396/2.1=3, 2607/8195=1 QD2 LEU 51 - QD2 LEU 58 lone 4 60 - 6 - Peak 6365 from cnoeabs.peaks (0.66, 0.99, 21.76 ppm; 3.24 A): 6 out of 8 assignments used, quality = 0.95: QD2 LEU 24 + QD2 LEU 58 OK 74 100 - 74 - 2.1/7067=19, 6470=14...(22) QD2 LEU 24 + QG1 VAL 18 OK 40 93 - 43 - 2.1/7067=10, 6470=9...(13) QD1 LEU 21 + QD2 LEU 58 OK 36 99 - 37 - ~7068=5, 2128/2.1=4...(15) QD1 LEU 21 + QG1 VAL 18 OK 29 89 - 33 - 6359/3.2=9, 6369/2.1=6...(12) QD1 LEU 45 + QG1 VAL 18 OK 12 78 - 16 - 6369/2.1=3, 6359/3.2=3...(5) QD1 LEU 45 + QD2 LEU 58 OK 12 89 - 13 - 3.1/6840=2, 3.1/6839=2 QD1 LEU 77 - QG1 VAL 18 poor 9 55 - 16 - ~4020=2, 4027/2.1=2...(7) QD1 LEU 77 - QD2 LEU 58 lone 3 65 - 5 - Peak 6366 from cnoeabs.peaks (0.90, 0.99, 21.76 ppm; 2.78 A): 11 out of 26 assignments used, quality = 0.90: QD2 LEU 41 + QG1 VAL 18 OK 38 83 - 47 - 8266/2.1=9, 6753/3.2=7...(15) QD2 LEU 27 + QD2 LEU 58 OK 28 83 - 34 - 2300=5, 2300/2.1=3...(13) QD1 LEU 27 + QD2 LEU 58 OK 24 76 - 32 - 2.1/2300=4, 2293=3...(13) QD2 LEU 27 + QG1 VAL 18 OK 20 72 - 28 - 6532/3.2=5, 8397/2.1=4...(10) QD1 LEU 41 + QG1 VAL 18 OK 20 51 - 40 - 8397/2.1=6, ~8266=5...(16) QD1 LEU 27 + QG1 VAL 18 OK 17 65 - 26 - 8397/2.1=4, ~6532=3...(11) QD1 LEU 117 + QD2 LEU 58 OK 12 99 - 12 - 2.1/8011=2, 4.6/5649=1...(5) QG2 ILE 22 + QD2 LEU 58 OK 12 81 - 15 - 3.0/8420=2, 4.0/7051=1...(4) QG2 ILE 22 + QG1 VAL 18 OK 10 70 - 15 - 3.0/8420=2, 8397/2.1=2...(7) QG2 VAL 115 + QG1 VAL 18 OK 10 70 - 15 - 7978/2.1=5, 6354/4.0=2...(6) QD2 LEU 59 + QD2 LEU 58 OK 10 81 - 13 - 4.6/276=3, 2.1/6367=1 HB2 GLN 42 - QG1 VAL 18 poor 8 83 - 10 - 8397/2.1=1, 3.0/6787=1 HB2 GLN 42 - QD2 LEU 58 lone 7 93 - 8 - QD2 LEU 41 - QD2 LEU 58 lone 7 93 - 7 - QD1 LEU 117 - QG1 VAL 18 lone 5 91 - 5 - QG2 VAL 49 - QG1 VAL 18 lone 4 78 - 6 - QD1 LEU 126 - QD2 LEU 58 lone 4 100 - 4 - QG2 VAL 115 - QD2 LEU 58 lone 4 81 - 5 - QD1 ILE 124 - QG1 VAL 18 lone 3 79 - 4 - QD1 ILE 124 - QD2 LEU 58 lone 3 90 - 4 - QG1 VAL 49 - QG1 VAL 18 lone 3 70 - 5 - QD1 LEU 41 - QD2 LEU 58 lone 2 60 - 4 - QD1 LEU 126 - QG1 VAL 18 lone 2 91 - 2 - QG2 VAL 49 - QD2 LEU 58 lone 2 89 - 2 - QD2 LEU 59 - QG1 VAL 18 lone 1 70 - 2 - QG1 VAL 49 - QD2 LEU 58 lone 1 81 - 2 - Peak 6367 from cnoeabs.peaks (1.38, 0.99, 21.76 ppm; 3.36 A): 10 out of 16 assignments used, quality = 0.95: QG2 THR 121 + QD2 LEU 58 OK 43 100 - 43 - 8086/2.1=8, 2.1/8748=7...(14) HB2 LEU 27 + QD2 LEU 58 OK 40 83 - 49 - 7062/2.1=6, 2272=6...(26) HB3 LEU 93 + QD2 LEU 58 OK 35 99 - 35 - 7062/2.1=5, 1.8/7610=3...(13) HG2 LYS 31 + QD2 LEU 58 OK 30 99 - 30 - 7062/2.1=3, 8306/3.1=3...(11) HB VAL 110 + QD2 LEU 58 OK 20 89 - 23 - 7062/2.1=3, 2.1/7873=3...(10) HB2 LEU 111 + QD2 LEU 58 OK 20 95 - 21 - 7062/2.1=3, 3.1/8420=2...(8) HB2 LEU 27 + QG1 VAL 18 OK 19 72 - 27 - ~6532=3, 3.1/2300=3...(15) HB2 LEU 111 + QG1 VAL 18 OK 19 84 - 23 - 5000/2.1=4, 3.1/8420=3...(9) HG LEU 59 + QD2 LEU 58 OK 13 71 - 19 - 5.1/276=5, 7062/2.1=2...(7) HB3 LEU 59 + QD2 LEU 58 OK 11 60 - 18 - 3.7/276=7, 1.8/6368=2...(5) HB3 LEU 93 - QG1 VAL 18 lone 7 91 - 8 - HB VAL 110 - QG1 VAL 18 lone 6 78 - 8 - 2.1/7873=2, 2.1/7872=2 QG2 THR 121 - QG1 VAL 18 lone 6 93 - 6 - 8072/6353=1 HG2 LYS 31 - QG1 VAL 18 lone 2 91 - 3 - HG LEU 59 - QG1 VAL 18 lone 2 60 - 3 - HB3 LEU 59 - QG1 VAL 18 lone 1 51 - 3 - 3.7/276=1 Peak 6368 from cnoeabs.peaks (1.62, 0.99, 21.76 ppm; 3.75 A): 13 out of 36 assignments used, quality = 0.94: HD2 LYS 31 + QD2 LEU 58 OK 30 100 - 30 - 3.0/6367=3, 3.4/3377=2...(12) HD3 LYS 31 + QD2 LEU 58 OK 30 100 - 30 - 3.0/6367=3, 3.4/3377=2...(12) HB2 LEU 59 + QD2 LEU 58 OK 24 99 - 24 - 3.7/276=9, 1.8/6367=2...(10) HG LEU 101 + QD2 LEU 58 OK 23 100 - 23 - 4670=3, 2.1/4684=2...(10) HD3 LYS 119 + QD2 LEU 58 OK 23 85 - 27 - 3.7/3377=3, 6.0/8028=3...(9) HD2 LYS 119 + QD2 LEU 58 OK 22 83 - 27 - 3.7/3377=3, 6.0/8028=3...(9) HG LEU 101 + QG1 VAL 18 OK 19 92 - 20 - 4670=2, ~2000=2...(10) HD3 LYS 32 + QG1 VAL 18 OK 13 91 - 14 - 2.9/2004=1, ~2509=1...(8) HD2 LYS 32 + QG1 VAL 18 OK 13 91 - 14 - 2.9/2004=1, ~2509=1...(8) HB3 GLN 42 + QD2 LEU 58 OK 13 83 - 15 - 3.0/6801=2, 3.0/6787=2...(7) HG2 PRO 30 + QD2 LEU 58 OK 12 100 - 12 - 1.8/8011=1, ~7061=1 HB3 GLN 42 + QG1 VAL 18 OK 12 72 - 16 - 3.0/6787=2, 3.0/6801=2...(8) HB3 LYS 32 + QG1 VAL 18 OK 10 65 - 16 - 2509/2.1=3, ~2499=2...(7) HG3 ARG 85 - QD2 LEU 58 poor 10 60 - 16 - 1.8/3378=1, 4310/3.1=1 HG LEU 51 - QD2 LEU 58 lone 7 87 - 8 - 2.1/6364=1, ~6930=1 HB3 LEU 126 - QD2 LEU 58 lone 7 95 - 7 - 3396/4.9=2, 4.0/3375=1 HB2 LEU 126 - QD2 LEU 58 lone 7 93 - 7 - 3396/4.9=2, 4.0/3375=1 HG2 PRO 30 - QG1 VAL 18 lone 6 92 - 6 - 6606/6651=1 HG LEU 51 - QG1 VAL 18 lone 6 76 - 7 - ~8396=3, 2.1/6364=1 HG12 ILE 63 - QG1 VAL 18 lone 5 83 - 6 - ~8400=1 HG12 ILE 63 - QD2 LEU 58 lone 5 93 - 6 - 1.8/8404=1 HG LEU 126 - QD2 LEU 58 lone 5 81 - 6 - 5403/4.8=1 HG2 ARG 53 - QD2 LEU 58 lone 5 99 - 5 - HD3 LYS 32 - QD2 LEU 58 lone 4 99 - 4 - HD2 LYS 32 - QD2 LEU 58 lone 4 99 - 4 - HG2 ARG 53 - QG1 VAL 18 lone 4 91 - 4 - HD3 LYS 119 - QG1 VAL 18 lone 4 74 - 5 - HD2 LYS 119 - QG1 VAL 18 lone 4 72 - 5 - HB2 LEU 59 - QG1 VAL 18 lone 4 89 - 4 - 3.7/276=1 HB3 LYS 32 - QD2 LEU 58 lone 3 76 - 4 - HD3 LYS 31 - QG1 VAL 18 lone 2 91 - 3 - HD2 LYS 31 - QG1 VAL 18 lone 2 91 - 3 - HG3 ARG 85 - QG1 VAL 18 lone 2 51 - 5 - HB3 LEU 126 - QG1 VAL 18 lone 2 84 - 2 - HG LEU 126 - QG1 VAL 18 lone 2 70 - 2 - HB2 LEU 126 - QG1 VAL 18 lone 2 83 - 2 - Peak 6369 from cnoeabs.peaks (0.65, 1.21, 24.60 ppm; 4.52 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 24 + QG2 VAL 18 OK 64 97 - 67 - 6359/3.2=11, ~7067=11...(18) QD1 LEU 21 + QG2 VAL 18 OK 58 100 - 58 - 6417/3.2=16, 3.7/5993=7...(19) QD1 LEU 45 + QG2 VAL 18 OK 33 99 - 33 - 2.1/8401=5, 6359/3.2=4...(11) QG2 VAL 26 + QG2 VAL 18 OK 18 65 - 27 - 8216=6, 4.1/8394=5...(6) Peak 6370 from cnoeabs.peaks (0.94, 3.84, 66.74 ppm; 4.10 A): 9 out of 24 assignments used, quality = 0.93: QG2 VAL 115 + HA THR 116 OK 53 87 - 60 - 5901/3.0=13, 5114/4.8=10...(14) QG2 VAL 115 + HA THR 19 OK 35 97 - 36 - 5901/3.0=6, 2.1/7969=5...(11) QG2 ILE 22 + HA THR 19 OK 34 97 - 36 - 2.1/5982=6, 4.0/1565=5...(12) QG2 ILE 22 + HA THR 116 OK 33 87 - 37 - 2.1/5982=6, ~6432=4...(15) QD1 LEU 55 + HA THR 116 OK 15 94 - 16 - 8499/3.6=3, 5102/4.8=2...(4) QD1 LEU 55 + HA THR 19 OK 12 100 - 12 - 6375/3.2=3, ~6376=1...(4) QD1 LEU 27 + HA THR 19 OK 11 98 - 12 - 6538/3.6=2, 6375/3.2=2, ~6375=1 QD2 LEU 27 + HA THR 116 OK 11 86 - 12 - 1373/3.6=2, 5102/4.8=1 QD2 LEU 27 + HA THR 19 OK 10 96 - 11 - 6375/3.2=1, ~6375=1, 6537/1565=1 QD1 LEU 27 - HA THR 116 poor 10 90 - 11 - 1373/3.6=1, 5102/4.8=1 QD1 LEU 117 - HA THR 116 poor 10 59 - 16 - 8499/3.6=7, ~7986=4...(4) QD1 ILE 63 - HA THR 19 lone 8 99 - 8 - 6375/3.2=2 QD1 LEU 41 - HA THR 116 lone 8 93 - 8 - 5102/4.8=2, 591/3.0=1 QD1 LEU 41 - HA THR 19 lone 7 100 - 7 - 8267/6361=1 QD1 ILE 63 - HA THR 116 lone 6 92 - 7 - QG2 VAL 49 - HA THR 19 lone 5 92 - 6 - 4.0/5461=1 HB2 GLN 42 - HA THR 116 lone 5 77 - 6 - 6013/4.8=2 QG2 VAL 49 - HA THR 116 lone 4 82 - 5 - 8499/3.6=2 QG2 ILE 124 - HA THR 19 lone 4 76 - 5 - 6375/3.2=2 QD1 LEU 117 - HA THR 19 lone 4 68 - 5 - 4.6/593=2 QD1 LEU 126 - HA THR 116 lone 2 56 - 4 - HB2 GLN 42 - HA THR 19 lone 2 87 - 2 - QG2 ILE 124 - HA THR 116 lone 1 66 - 2 - QD1 LEU 126 - HA THR 19 lone 1 65 - 2 - Peak 6371 from cnoeabs.peaks (0.81, 3.84, 66.74 ppm; 3.65 A): 7 out of 14 assignments used, quality = 0.92: QG1 VAL 115 + HA THR 116 OK 42 75 - 56 - 5900/3.0=10, 7969=8...(15) QD1 LEU 93 + HA THR 116 OK 40 77 - 53 - 8377/3.2=14, 4506/3.0=8...(20) QD1 ILE 22 + HA THR 116 OK 29 89 - 32 - 3.2/5982=4, 6438=3...(16) QD2 LEU 91 + HA THR 116 OK 28 92 - 30 - 8368/3.2=8, 7590/3.6=6...(7) QD1 ILE 22 + HA THR 19 OK 25 97 - 26 - 3.2/5982=4, 4.9/1565=3...(11) QG1 VAL 115 + HA THR 19 OK 25 85 - 29 - 7969=4, 2.1/6370=3...(12) QD1 LEU 111 + HA THR 116 OK 22 84 - 27 - 5884/3.0=4, 5019/4.8=3...(13) HB2 ASN 118 - HA THR 116 OK 20 87 - 23 - 6245/4.8=5, 4.0/1783=5...(8) HG13 ILE 22 - HA THR 116 OK 18 56 - 31 - 2.9/5982=4, 2.1/6438=3...(15) HG13 ILE 22 - HA THR 19 OK 14 65 - 22 - 2.9/5982=4, 5.0/1565=3...(10) QD1 LEU 111 - HA THR 19 OK 14 93 - 15 - 5884/3.0=4, ~49=2...(4) HB2 ASN 118 - HA THR 19 lone 8 97 - 8 - 4.0/1783=2, 4.6/6250=2 QD1 LEU 93 - HA THR 19 lone 7 87 - 8 - 8377/3.2=1 QD2 LEU 91 - HA THR 19 lone 6 100 - 6 - 8368/3.2=2 Peak 6372 from cnoeabs.peaks (0.99, 3.84, 66.74 ppm; 4.18 A): 5 out of 16 assignments used, quality = 0.94: QG1 VAL 18 + HA THR 19 OK 70 100 - 70 - 50/3.0=17, ~5458=11...(13) QD2 LEU 58 + HA THR 19 OK 38 100 - 38 - 50/3.0=6, 8747=4...(15) QD1 LEU 58 + HA THR 19 OK 36 96 - 38 - 50/3.0=5, 3383/3.0=4...(15) QG1 VAL 18 + HA THR 116 OK 32 92 - 34 - 5460/3.0=5, ~5459=4...(11) QD2 LEU 58 + HA THR 116 OK 27 93 - 29 - 5649/3.6=5, ~7063=3...(11) QD1 LEU 58 - HA THR 116 OK 24 86 - 28 - 5650/3.6=6, 7063/3.2=4...(10) QD1 LEU 101 - HA THR 116 OK 17 93 - 18 - ~7987=3, 7706/3.2=3...(6) QD1 LEU 101 - HA THR 19 OK 13 100 - 13 - 50/3.0=3, 7706/3.2=2...(4) HB3 LEU 27 - HA THR 19 poor 9 89 - 11 - ~8421=2, 50/3.0=2...(4) HB3 LEU 27 - HA THR 116 lone 6 79 - 8 - 3.1/6370=1, 3.1/6370=1 HG3 LYS 65 - HA THR 19 lone 3 98 - 3 - HG2 LYS 65 - HA THR 19 lone 3 98 - 3 - QG2 THR 95 - HA THR 19 lone 2 92 - 2 - QG2 THR 95 - HA THR 116 lone 2 82 - 2 - HG3 LYS 65 - HA THR 116 lone 2 90 - 2 - HG2 LYS 65 - HA THR 116 lone 2 90 - 2 - Peak 6373 from cnoeabs.peaks (2.37, 4.25, 68.61 ppm; 4.78 A): 4 out of 9 assignments used, quality = 0.81: HB VAL 18 + HB THR 19 OK 52 98 - 53 - 4.5/2010=18, 6377/2.1=11...(8) HG2 GLU 15 + HB THR 19 OK 43 100 - 43 - 6377/2.1=9, 1923/3.0=7...(10) HG3 GLN 16 + HB THR 19 OK 22 57 - 38 - 4.0/5963=14, 3.0/6374=7...(9) HB2 GLN 103 + HB THR 19 OK 12 100 - 12 - 6377/2.1=3, 48/4.0=1, ~7771=1 HG2 PRO 70 - HB THR 19 poor 9 87 - 11 - 48/4.0=4, 6377/2.1=2 HB3 GLU 82 - HB THR 19 poor 7 65 - 11 - ~8421=3, 6377/2.1=3...(4) HB2 GLU 82 - HB THR 19 poor 7 65 - 11 - ~8421=3, 6377/2.1=3...(4) HB3 ASN 118 - HB THR 19 lone 6 93 - 6 - 48/4.0=2, 6377/2.1=1 HG2 MET 11 - HB THR 19 lone 6 97 - 6 - 48/4.0=1, 6377/2.1=1 Peak 6374 from cnoeabs.peaks (2.07, 4.25, 68.61 ppm; 4.96 A): 8 out of 15 assignments used, quality = 0.92: HB2 GLN 16 + HB THR 19 OK 49 99 - 50 - 3.0/5963=18, ~6323=10...(10) HB3 GLN 16 + HB THR 19 OK 49 99 - 50 - 3.0/5963=18, ~6323=10...(10) HB2 GLU 15 + HB THR 19 OK 41 93 - 44 - 3.0/6373=9, 1911/3.0=7...(13) HG LEU 21 + HB THR 19 OK 19 97 - 19 - 6380/4.4=5, 4.7/1561=4...(5) HG3 GLU 69 + HB THR 19 OK 13 87 - 15 - 3783/4.4=6, 5.0/5462=3 HB2 LEU 101 + HB THR 19 OK 12 65 - 18 - ~8421=5, ~7731=2...(6) HG3 PRO 37 + HB THR 19 OK 11 76 - 14 - 2.3/5963=4, ~6378=3...(5) HB ILE 63 + HB THR 19 OK 10 98 - 10 - ~6375=2, 2.1/7145=2 HB2 LEU 114 - HB THR 19 lone 7 98 - 7 - 6380/4.4=2 HB2 ARG 57 - HB THR 19 lone 7 100 - 7 - 4.2/1046=2 HG2 GLU 64 - HB THR 19 lone 6 100 - 6 - HB3 ARG 81 - HB THR 19 lone 4 81 - 5 - ~6376=1 HB2 GLN 105 - HB THR 19 lone 4 100 - 4 - HB3 GLU 38 - HB THR 19 lone 3 95 - 3 - HG3 PRO 60 - HB THR 19 lone 1 65 - 2 - Peak 6375 from cnoeabs.peaks (0.95, 1.26, 21.73 ppm; 4.36 A): 0 out of 10 assignments used, low quality = 0.42: QG2 VAL 115 - QG2 THR 19 OK 19 68 - 28 - 4.3/2014=6, 2.1/7963=5...(8) QG2 ILE 22 - QG2 THR 19 OK 19 68 - 28 - 2.1/6376=6, 4.0/5463=4...(11) QD1 LEU 55 - QG2 THR 19 OK 13 92 - 14 - 4.0/6378=3, 2.1/6376=3 QG2 ILE 124 - QG2 THR 19 lone 8 99 - 8 - 5353=1, 2.1/5346=1 QD1 ILE 63 - QG2 THR 19 lone 8 98 - 8 - 7146/2.1=1 QD1 LEU 27 - QG2 THR 19 lone 7 73 - 9 - 4.0/8421=3, 6538/4.2=1 QD2 LEU 27 - QG2 THR 19 lone 6 65 - 9 - 4.0/8421=3 QD1 LEU 41 - QG2 THR 19 lone 4 87 - 4 - QG2 VAL 49 - QG2 THR 19 lone 3 57 - 5 - 4.0/5463=2 QG2 THR 95 - QG2 THR 19 lone 2 71 - 2 - Peak 6376 from cnoeabs.peaks (1.90, 1.26, 21.73 ppm; 4.68 A): 5 out of 15 assignments used, quality = 0.79: HB ILE 22 + QG2 THR 19 OK 37 98 - 38 - 6432=9, 2.1/6375=9...(10) HB ILE 80 + QG2 THR 19 OK 34 78 - 43 - ~8351=6, ~2013=5...(17) HB2 LYS 119 + QG2 THR 19 OK 27 92 - 30 - 8457=5, 3.0/2015=4...(10) HB2 LEU 58 + QG2 THR 19 OK 20 63 - 32 - 3.1/7063=4, 3355/2.1=3...(15) HG LEU 55 + QG2 THR 19 OK 16 90 - 17 - 2.1/6375=6, 4.3/6378=3 HB2 LEU 84 - QG2 THR 19 lone 9 100 - 9 - 3.0/8359=2, 3.1/8356=2 HB2 LEU 21 - QG2 THR 19 poor 9 68 - 13 - 4.6/5463=4, 5473/4.2=2...(6) HG LEU 84 - QG2 THR 19 lone 9 96 - 9 - 8359=3, 2.1/8356=2, 2.1/8357=1 HB2 ARG 81 - QG2 THR 19 lone 6 99 - 7 - 4.0/386=2, 7438=1 HB3 LYS 31 - QG2 THR 19 lone 4 92 - 5 - 4.7/906=1 HB3 MET 11 - QG2 THR 19 lone 4 90 - 5 - 3.0/6377=1 HB3 GLU 73 - QG2 THR 19 lone 4 97 - 4 - HB2 GLU 28 - QG2 THR 19 lone 3 100 - 3 - HB VAL 50 - QG2 THR 19 lone 2 92 - 2 - HB2 ARG 92 - QG2 THR 19 lone 1 73 - 2 - Peak 6377 from cnoeabs.peaks (2.36, 1.26, 21.73 ppm; 4.95 A): 6 out of 9 assignments used, quality = 0.82: HB VAL 18 + QG2 THR 19 OK 50 100 - 51 - 5458/4.0=19, 6373/2.1=12...(7) HG2 GLU 15 + QG2 THR 19 OK 40 97 - 41 - 6373/2.1=10, 48/4.0=7...(11) HB2 GLN 103 + QG2 THR 19 OK 13 92 - 14 - 4.0/7767=4, 6373/2.1=3...(5) HB2 GLU 82 + QG2 THR 19 OK 11 89 - 13 - 3.0/8421=4, 6373/2.1=2...(5) HB3 GLU 82 + QG2 THR 19 OK 11 89 - 13 - 3.0/8421=4, 6373/2.1=2...(5) HG2 PRO 70 + QG2 THR 19 OK 10 99 - 11 - 48/4.0=5, 6373/2.1=2 HB3 ASN 118 - QG2 THR 19 lone 7 100 - 7 - 48/4.0=2, 6373/2.1=1 HG2 MET 11 - QG2 THR 19 lone 5 81 - 6 - 48/4.0=1, 6373/2.1=1 HB2 LEU 54 - QG2 THR 19 lone 5 68 - 7 - 4.6/247=1 Peak 6378 from cnoeabs.peaks (4.04, 1.26, 21.73 ppm; 4.22 A): 7 out of 8 assignments used, quality = 0.83: HA GLN 16 + QG2 THR 19 OK 51 99 - 51 - 6323=17, 5963/2.1=17...(7) HA TYR 102 + QG2 THR 19 OK 25 99 - 25 - 7738=5, 5963/2.1=5...(9) HA LEU 55 + QG2 THR 19 OK 18 89 - 21 - 7010=4, 4.0/6375=3...(7) HA ALA 14 + QG2 THR 19 OK 15 87 - 17 - 1550/4.0=6, 5963/2.1=5 HD3 PRO 37 + QG2 THR 19 OK 13 100 - 13 - 5963/2.1=4, 1550/4.0=2...(5) HA SER 112 + QG2 THR 19 OK 13 85 - 15 - 5963/2.1=3, 3.0/2014=2...(6) HA LYS 109 + QG2 THR 19 OK 13 95 - 14 - 5963/2.1=3, 6205/4.0=3...(4) HA SER 44 - QG2 THR 19 lone 1 63 - 2 - Peak 6379 from cnoeabs.peaks (4.60, 1.26, 21.73 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.61: HA TRP 20 + QG2 THR 19 OK 55 100 - 55 - 3.0/5463=25, ~5462=16...(7) HA GLU 69 + QG2 THR 19 OK 14 89 - 16 - 832/4.2=7, 3.0/5463=4...(4) HA ASP 47 - QG2 THR 19 lone 6 90 - 7 - 3.6/6878=3, 832/4.2=2 HA LEU 45 - QG2 THR 19 lone 6 100 - 6 - 832/4.2=4 Peak 6381 from cnoeabs.peaks (1.44, 7.29, 127.08 ppm; 5.25 A): 2 out of 16 assignments used, quality = 0.94: HG LEU 24 + HD1 TRP 20 OK 90 93 - 96 - 2.1/4630=48, 8201/2.6=36...(13) HB3 LEU 45 + HD1 TRP 20 OK 38 93 - 41 - 3.0/4532=10, 3.1/4629=7...(9) HB2 LEU 51 - HD1 TRP 20 OK 14 87 - 16 - ~8388=4, 8026/4634=3...(6) HB3 LEU 101 - HD1 TRP 20 OK 14 100 - 14 - 3.0/4631=3, 6551/2.6=2...(5) HB3 LEU 91 - HD1 TRP 20 OK 13 98 - 13 - 3.0/4631=3, 8026/4634=2...(5) HD2 LYS 46 - HD1 TRP 20 OK 13 79 - 16 - 2.9/4628=3, 2.9/4628=3...(5) HB3 GLU 75 - HD1 TRP 20 OK 11 93 - 12 - 5721/5.1=4, 6551/2.6=2 HD3 LYS 65 - HD1 TRP 20 lone 9 99 - 9 - 6551/2.6=2, ~6551=1...(4) HD2 LYS 65 - HD1 TRP 20 lone 9 99 - 9 - 6551/2.6=2, ~6551=1...(4) QB ALA 89 - HD1 TRP 20 lone 6 99 - 6 - 7561/3.9=1 HG2 LYS 119 - HD1 TRP 20 lone 5 75 - 6 - 1.8/4628=2 QB ALA 98 - HD1 TRP 20 lone 4 92 - 5 - QB ALA 14 - HD1 TRP 20 lone 3 61 - 4 - HB2 LEU 93 - HD1 TRP 20 lone 2 61 - 4 - 6551/2.6=1 HG3 LYS 31 - HD1 TRP 20 lone 2 67 - 3 - QB ALA 122 - HD1 TRP 20 lone 2 72 - 3 - Peak 6382 from cnoeabs.peaks (0.64, 7.29, 127.08 ppm; 5.12 A): 4 out of 5 assignments used, quality = 0.92: QD2 LEU 24 + HD1 TRP 20 OK 75 79 - 95 - 2.1/4630=48, 8202/2.6=37...(15) QD1 LEU 21 + HD1 TRP 20 OK 38 94 - 40 - 2.1/6395=7, 6399/5.1=7...(11) QD1 LEU 45 + HD1 TRP 20 OK 37 99 - 37 - 4.0/4532=9, 3.1/4627=6...(10) QG2 VAL 26 + HD1 TRP 20 OK 20 87 - 23 - 8214/4630=16...(3) QD1 LEU 51 - HD1 TRP 20 lone 6 81 - 8 - 3.1/6381=2, ~6551=1, 5610/5.1=1 Peak 6384 from cnoeabs.peaks (1.33, 7.55, 120.30 ppm; 4.53 A): 5 out of 9 assignments used, quality = 0.94: QG2 THR 17 + HE3 TRP 20 OK 69 97 - 72 - 6344=30, 6345/2.5=22...(10) QG2 THR 23 + HE3 TRP 20 OK 42 94 - 45 - 6449/5.1=16, 8199/5.1=11...(9) HG3 LYS 46 + HE3 TRP 20 OK 37 97 - 38 - 4643/2.5=7, ~4643=5...(14) HG2 LYS 46 + HE3 TRP 20 OK 37 97 - 38 - 4643/2.5=7, ~4643=5...(14) QB ALA 43 + HE3 TRP 20 OK 14 95 - 15 - 6814/2.5=5, ~6812=3...(4) HB3 LEU 84 - HE3 TRP 20 lone 6 85 - 7 - 4643/2.5=1, 6413/6394=1 HG3 LYS 119 - HE3 TRP 20 lone 5 96 - 5 - HB3 LEU 59 - HE3 TRP 20 lone 3 77 - 4 - ~4645=1, ~6553=1 HG CYS 87 - HE3 TRP 20 lone 3 90 - 4 - Peak 6388 from cnoeabs.peaks (0.98, 7.33, 114.08 ppm; 3.67 A): 5 out of 9 assignments used, quality = 0.95: QD2 LEU 58 + HZ2 TRP 20 OK 73 98 - 75 - 2.1/7049=26, 6353=24...(14) QD1 LEU 58 + HZ2 TRP 20 OK 65 89 - 73 - 7049=29, 2.1/6353=16...(14) QG1 VAL 18 + HZ2 TRP 20 OK 26 100 - 26 - 6353=9, 8504/2.8=6...(6) HB3 LEU 27 + HZ2 TRP 20 OK 17 78 - 22 - 3.1/6535=7, 1.8/4650=4...(7) QD1 LEU 101 + HZ2 TRP 20 OK 12 100 - 12 - 4662/2.5=2, 7721/4.3=2 HG3 LYS 65 - HZ2 TRP 20 lone 9 100 - 9 - 4662/2.5=2, ~4662=1 HG2 LYS 65 - HZ2 TRP 20 lone 9 100 - 9 - 4662/2.5=2, ~4662=1 QG2 ILE 124 - HZ2 TRP 20 lone 2 65 - 4 - 8115/8072=2 QG2 THR 95 - HZ2 TRP 20 lone 2 97 - 2 - Peak 6389 from cnoeabs.peaks (0.22, 7.33, 114.08 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 54 + HZ2 TRP 20 OK 91 99 - 92 - 6977=50, 4665/2.5=29...(17) QD2 LEU 21 + HZ2 TRP 20 OK 64 94 - 67 - 6396/4.3=17...(14) Peak 6390 from cnoeabs.peaks (1.77, 6.79, 122.83 ppm; 4.89 A): 2 out of 16 assignments used, quality = 0.99: HB2 LEU 117 + HH2 TRP 20 OK 91 100 - 91 - 3.1/4661=31, 1.8/4658=31...(20) HG LEU 117 + HH2 TRP 20 OK 88 99 - 89 - 2.1/4661=35, 3.0/4658=26...(17) HB2 GLU 75 - HH2 TRP 20 OK 42 99 - 43 - 3.0/8330=8, 3.0/8337=7...(13) HB3 LYS 46 - HH2 TRP 20 OK 37 87 - 43 - 4.0/2095=6, 2939/2.4=6...(13) HD3 LYS 109 - HH2 TRP 20 OK 28 100 - 28 - 3.0/5871=6, 3.9/5869=5...(10) HD2 LYS 109 - HH2 TRP 20 OK 28 99 - 28 - 3.0/5871=6, 3.9/5869=5...(10) HB2 LEU 45 - HH2 TRP 20 OK 26 90 - 29 - 4.3/2095=6, ~5579=5...(7) HG3 PRO 30 - HH2 TRP 20 OK 17 99 - 17 - 6591/2.5=4, 6592=3...(5) HB VAL 66 - HH2 TRP 20 OK 15 78 - 19 - 2.1/4664=4, ~4646=3...(6) HG2 GLN 42 - HH2 TRP 20 lone 10 97 - 10 - 4649/2.5=1 HB2 PRO 37 - HH2 TRP 20 lone 7 89 - 8 - 1.8/4658=1 HG3 ARG 71 - HH2 TRP 20 lone 7 94 - 7 - 6591/2.5=1 HB3 GLU 56 - HH2 TRP 20 lone 5 76 - 7 - 3.0/4658=1 HB2 LYS 32 - HH2 TRP 20 lone 5 89 - 5 - HG2 ARG 71 - HH2 TRP 20 lone 4 68 - 6 - HB2 ARG 53 - HH2 TRP 20 lone 2 63 - 2 - Peak 6391 from cnoeabs.peaks (1.13, 6.79, 122.83 ppm; 4.93 A): 2 out of 5 assignments used, quality = 0.97: QD2 LEU 117 + HH2 TRP 20 OK 92 100 - 92 - 8000=32, 7999/2.4=31...(21) HB3 LEU 54 + HH2 TRP 20 OK 63 71 - 89 - 3.1/4665=28, ~6977=23...(20) QG2 VAL 120 - HH2 TRP 20 OK 27 99 - 27 - 4651/2.5=7, 8087/8073=3...(8) QG2 VAL 50 - HH2 TRP 20 OK 21 100 - 21 - 4651/2.5=5, 8281/4665=5...(4) QG2 THR 62 - HH2 TRP 20 poor 9 78 - 11 - 4651/2.5=3, 7960/7950=1 Peak 6392 from cnoeabs.peaks (0.99, 6.79, 122.83 ppm; 5.05 A): 2 out of 8 assignments used, quality = 0.96: QD1 LEU 58 + HH2 TRP 20 OK 81 96 - 85 - 7049/2.5=38, 7050=27...(14) QD2 LEU 58 + HH2 TRP 20 OK 81 100 - 81 - ~7049=28, 2.1/7050=26...(12) QG1 VAL 18 - HH2 TRP 20 OK 29 100 - 29 - 6353/2.5=9, 8504/5.0=7...(5) HB3 LEU 27 - HH2 TRP 20 OK 29 89 - 33 - ~6535=9, ~4650=5...(8) QD1 LEU 101 - HH2 TRP 20 OK 23 100 - 23 - 7721/2.4=5, 7709/4985=3...(6) HG3 LYS 65 - HH2 TRP 20 OK 19 98 - 19 - 3.8/8652=4, 2.9/8685=3...(8) HG2 LYS 65 - HH2 TRP 20 OK 19 98 - 19 - 3.8/8652=4, 2.9/8685=3...(8) QG2 THR 95 - HH2 TRP 20 lone 4 92 - 5 - Peak 6393 from cnoeabs.peaks (3.55, 7.33, 114.08 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.88: HA ASN 118 + HZ2 TRP 20 OK 81 100 - 81 - 8019=50, 8018/2.5=24...(13) HA LEU 51 + HZ2 TRP 20 OK 25 96 - 26 - 8424/6977=9, 4657/2.5=7...(5) HD2 PRO 60 + HZ2 TRP 20 OK 13 100 - 13 - 8092/8072=3, 6997/6977=3...(4) HB2 ASP 47 - HZ2 TRP 20 lone 9 99 - 9 - 8388/2.8=3, 4657/2.5=2...(4) Peak 6394 from cnoeabs.peaks (7.55, 0.23, 23.90 ppm; 4.00 A): 3 out of 4 assignments used, quality = 0.70: HE3 TRP 20 + QD2 LEU 21 OK 56 100 - 56 - 2.5/6396=19, 4642=17...(9) H CYS 52 + QD2 LEU 21 OK 23 87 - 26 - 1614/3.7=5, 60/4.7=4...(8) H CYS 76 + QD2 LEU 21 OK 12 97 - 12 - 60/4.7=3, 7321/2.1=1...(4) H SER 113 - QD2 LEU 21 lone 6 71 - 8 - 60/4.7=1, 6344/6337=1 Peak 6395 from cnoeabs.peaks (7.26, 0.23, 23.90 ppm; 4.73 A): 5 out of 7 assignments used, quality = 0.93: H VAL 26 + QD2 LEU 21 OK 72 93 - 78 - 6490=24, 6497/3.7=15...(20) HD1 TRP 20 + QD2 LEU 21 OK 46 78 - 59 - 4630/6415=15...(12) HE ARG 57 + QD2 LEU 21 OK 33 100 - 33 - 3.5/8502=8, 8551/2.1=6...(10) QE PHE 96 + QD2 LEU 21 OK 17 87 - 20 - 6559/3.7=3, 4718/2.1=2...(6) QD PHE 96 + QD2 LEU 21 OK 17 98 - 17 - 6559/3.7=2, ~4718=2, ~8136=1 HE ARG 71 - QD2 LEU 21 lone 3 98 - 3 - HZ PHE 40 - QD2 LEU 21 lone 3 57 - 6 - 4678/6529=1 Peak 6396 from cnoeabs.peaks (6.90, 0.23, 23.90 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.68: HZ3 TRP 20 + QD2 LEU 21 OK 57 100 - 57 - 2.5/6394=22, 2.4/6397=10...(12) H LYS 46 + QD2 LEU 21 OK 24 100 - 24 - 196/2.1=7, 4.3/8197=3...(7) QE TYR 102 - QD2 LEU 21 lone 6 63 - 10 - 4761/2.1=1 HE22 GLN 103 - QD2 LEU 21 lone 4 100 - 4 - Peak 6397 from cnoeabs.peaks (6.78, 0.23, 23.90 ppm; 4.89 A): 5 out of 7 assignments used, quality = 0.92: H LEU 27 + QD2 LEU 21 OK 65 78 - 83 - 6513=24, 6398/2.1=17...(15) HH2 TRP 20 + QD2 LEU 21 OK 64 93 - 69 - 2.4/6396=26, 4.3/6394=19...(13) HZ PHE 107 + QD2 LEU 21 OK 15 71 - 21 - 6398/2.1=6, ~4797=4...(5) HE21 GLN 42 + QD2 LEU 21 OK 13 92 - 14 - 6398/2.1=4, 6789/8240=1...(4) H VAL 110 + QD2 LEU 21 OK 12 97 - 12 - 6398/2.1=2, 552/3.1=1 HD22 ASN 99 - QD2 LEU 21 lone 8 89 - 9 - 6398/2.1=2, 1441/6490=1 QE TYR 67 - QD2 LEU 21 lone 8 98 - 8 - 6398/2.1=1 Peak 6398 from cnoeabs.peaks (6.77, 0.65, 26.22 ppm; 4.11 A): 4 out of 7 assignments used, quality = 0.81: H LEU 27 + QD1 LEU 21 OK 56 96 - 59 - 6513/2.1=16, 4.4/6527=11...(13) HH2 TRP 20 + QD1 LEU 21 OK 36 73 - 49 - ~6396=13, 6397/2.1=9...(10) HZ PHE 107 + QD1 LEU 21 OK 20 92 - 22 - 2.2/4797=4, 7816=4...(6) HE21 GLN 42 + QD1 LEU 21 OK 13 100 - 13 - 5.5/6786=2, 6397/2.1=2...(4) HD22 ASN 99 - QD1 LEU 21 lone 6 99 - 6 - 6397/2.1=1 H VAL 110 - QD1 LEU 21 lone 6 83 - 7 - 6397/2.1=2 QE TYR 67 - QD1 LEU 21 lone 4 85 - 4 - 6397/2.1=1 Peak 6399 from cnoeabs.peaks (7.58, 0.65, 26.22 ppm; 4.54 A): 5 out of 6 assignments used, quality = 0.73: HE3 TRP 20 + QD1 LEU 21 OK 35 63 - 55 - ~6396=16, 6394/2.1=13...(12) H ARG 57 + QD1 LEU 21 OK 31 90 - 34 - 7033/2.1=10, 4.6/7053=6...(10) H CYS 52 + QD1 LEU 21 OK 25 99 - 26 - 1614/3.7=8, 6394/2.1=5...(7) H CYS 76 + QD1 LEU 21 OK 11 93 - 12 - 6394/2.1=3, 60/4.7=3, 7321/2.1=2 H LYS 119 + QD1 LEU 21 OK 11 85 - 12 - 4.9/6416=2, 1384/3.1=1...(4) H SER 113 - QD1 LEU 21 lone 8 100 - 8 - 6394/2.1=1, 60/4.7=1 Peak 6402 from cnoeabs.peaks (0.93, 3.38, 57.72 ppm; 4.34 A): 3 out of 11 assignments used, quality = 0.96: QD2 LEU 27 + HA LEU 21 OK 73 100 - 73 - 6529/3.7=16, 6527/3.7=15...(20) QD1 LEU 27 + HA LEU 21 OK 65 100 - 65 - 4.4/6515=10, 6538/3.6=9...(20) QG2 ILE 22 + HA LEU 21 OK 57 100 - 57 - 2154/3.6=16, 2155/4.9=11...(17) QD1 ILE 63 - HA LEU 21 OK 31 93 - 34 - 7154=8, 7146/4.9=3...(9) QG2 VAL 49 - HA LEU 21 OK 27 99 - 27 - 2.1/8279=8, 4.3/994=6...(9) QD1 LEU 41 - HA LEU 21 OK 24 100 - 24 - 6414/3.7=3, 6404/3.0=3...(8) QD1 LEU 55 - HA LEU 21 OK 23 99 - 24 - 2.1/7015=8, 851/3.6=3...(8) QG2 VAL 115 - HA LEU 21 OK 18 100 - 18 - 7975/4.9=5, 851/3.6=3...(8) HB2 GLN 42 - HA LEU 21 OK 13 97 - 13 - ~58=2, 6400/3.0=1...(5) QD1 LEU 117 - HA LEU 21 OK 12 87 - 14 - 6404/3.0=1, 6414/3.7=1...(7) QD1 LEU 126 - HA LEU 21 lone 7 85 - 9 - 5411/4.9=2 Peak 6403 from cnoeabs.peaks (0.05, 3.38, 57.72 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.86: QD1 LEU 24 + HA LEU 21 OK 86 99 - 87 - 6466=31, 6415/3.7=28...(18) Peak 6404 from cnoeabs.peaks (0.93, 1.05, 41.51 ppm; 4.10 A): 3 out of 11 assignments used, quality = 0.97: QD2 LEU 27 + HB3 LEU 21 OK 76 100 - 76 - 6529/3.1=15, 6527/3.1=15...(22) QD1 LEU 27 + HB3 LEU 21 OK 75 100 - 75 - 3.1/6405=12, ~6529=10...(23) QG2 ILE 22 + HB3 LEU 21 OK 52 100 - 52 - 4.0/68=13, 6408/1.8=5...(19) QD1 LEU 41 - HB3 LEU 21 OK 31 100 - 31 - ~6754=6, 6414/3.1=3...(13) QD1 ILE 63 - HB3 LEU 21 OK 23 93 - 24 - 7154/3.0=6, 6408/1.8=2...(7) QD1 LEU 55 - HB3 LEU 21 OK 18 99 - 19 - ~7015=4, ~6411=3...(9) QG2 VAL 49 - HB3 LEU 21 OK 17 99 - 17 - ~8279=4, 6402/3.0=2...(9) QD1 LEU 117 - HB3 LEU 21 OK 15 87 - 17 - ~8013=4, ~6412=3...(7) QG2 VAL 115 - HB3 LEU 21 OK 14 100 - 14 - 851/4.6=2, 6402/3.0=1...(9) HB2 GLN 42 - HB3 LEU 21 OK 12 97 - 12 - ~6786=2, 6414/3.1=1...(7) QD1 LEU 126 - HB3 LEU 21 lone 7 85 - 8 - Peak 6405 from cnoeabs.peaks (1.40, 1.05, 41.51 ppm; 4.64 A): 4 out of 10 assignments used, quality = 0.80: HB2 LEU 27 + HB3 LEU 21 OK 71 99 - 71 - ~8240=13, 6409/1.8=11...(17) HG LEU 59 + HB3 LEU 21 OK 13 100 - 13 - 6429/4.6=3, 6409/1.8=2...(4) HB2 LEU 111 + HB3 LEU 21 OK 12 93 - 13 - 6429/4.6=4, 6409/1.8=2...(4) HB2 LEU 51 + HB3 LEU 21 OK 10 90 - 11 - ~8424=4, 6409/1.8=2 HB VAL 110 - HB3 LEU 21 lone 9 97 - 9 - 6409/1.8=1, ~7878=1...(4) QB ALA 98 - HB3 LEU 21 lone 7 85 - 8 - 6409/1.8=1 HB3 LEU 93 - HB3 LEU 21 lone 6 81 - 8 - 6429/4.6=2 HB3 LEU 91 - HB3 LEU 21 lone 6 71 - 8 - 8364=1, 1.8/8362=1, 6409/1.8=1 QG2 THR 121 - HB3 LEU 21 lone 5 65 - 7 - 6429/4.6=2, 4.0/622=1 QB ALA 122 - HB3 LEU 21 lone 4 98 - 4 - Peak 6406 from cnoeabs.peaks (0.93, 2.08, 26.23 ppm; 4.34 A): 3 out of 11 assignments used, quality = 0.97: QD1 LEU 27 + HG LEU 21 OK 77 100 - 77 - ~6529=14, ~6527=13...(21) QD2 LEU 27 + HG LEU 21 OK 77 100 - 77 - 6529/2.1=21, 6527/2.1=20...(20) QG2 ILE 22 + HG LEU 21 OK 50 100 - 50 - 4.0/69=6, 6414/2.1=5...(18) QD1 LEU 41 - HG LEU 21 OK 37 100 - 37 - ~6754=8, ~6752=4...(12) QD1 ILE 63 - HG LEU 21 OK 23 93 - 25 - 7154/4.3=6, 6404/3.0=2...(7) QG2 VAL 115 - HG LEU 21 OK 18 100 - 18 - 6410/2.1=2, 6414/2.1=2...(9) QD1 LEU 117 - HG LEU 21 OK 17 87 - 20 - ~8013=5, ~6412=5...(6) QD1 LEU 55 - HG LEU 21 OK 16 99 - 16 - ~6411=4, 6410/2.1=2...(7) QG2 VAL 49 - HG LEU 21 OK 14 99 - 14 - 6402/4.3=2, 6404/3.0=2...(8) HB2 GLN 42 - HG LEU 21 OK 13 97 - 13 - ~6786=3, 6414/2.1=2...(4) QD1 LEU 126 - HG LEU 21 lone 7 85 - 8 - ~8502=1 Peak 6407 from cnoeabs.peaks (1.32, 2.08, 26.23 ppm; 4.41 A): 6 out of 9 assignments used, quality = 0.94: QG2 THR 17 + HG LEU 21 OK 74 99 - 75 - 6337/2.1=32, 8194/2.1=28...(14) HB3 LEU 84 + HG LEU 21 OK 41 95 - 44 - 6416/2.1=7, 6413/2.1=5...(17) QG2 THR 23 + HG LEU 21 OK 29 99 - 29 - 6454/2.1=14, 6413/2.1=5...(6) HG3 LYS 46 + HG LEU 21 OK 16 99 - 16 - 6416/2.1=3, ~6416=3...(5) HG2 LYS 46 + HG LEU 21 OK 16 99 - 16 - 6416/2.1=3, ~6416=3...(5) HG3 LYS 119 + HG LEU 21 OK 16 100 - 16 - 6416/2.1=3, 6413/2.1=2...(5) QB ALA 43 - HG LEU 21 lone 6 97 - 6 - 6416/2.1=2 HB3 LEU 59 - HG LEU 21 lone 6 76 - 8 - ~6411=1, ~6405=1, 6416/2.1=1 HG CYS 87 - HG LEU 21 lone 4 97 - 4 - 6413/2.1=1, 6416/2.1=1 Peak 6408 from cnoeabs.peaks (0.93, 1.93, 41.51 ppm; 3.92 A): 3 out of 22 assignments used, quality = 0.97: QD2 LEU 27 + HB2 LEU 21 OK 76 100 - 76 - 6527/3.1=14, 6529/3.1=14...(22) QD1 LEU 27 + HB2 LEU 21 OK 73 100 - 73 - ~6529=9, 6404/1.8=8...(23) QG2 ILE 22 + HB2 LEU 21 OK 53 100 - 53 - 2154/4.6=10, 6404/1.8=5...(21) QG2 ILE 22 - HB2 LEU 84 OK 29 63 - 46 - 6436/1.8=9, 5480/4.3=6...(17) QD1 LEU 41 - HB2 LEU 21 OK 29 100 - 29 - ~6754=5, 6404/1.8=3...(12) QD1 ILE 63 - HB2 LEU 21 OK 22 93 - 23 - 7154/3.0=6, 6404/1.8=2...(7) QD1 LEU 55 - HB2 LEU 21 OK 18 99 - 18 - ~7015=3, ~6411=3...(8) QG2 VAL 49 - HB2 LEU 21 OK 16 99 - 16 - ~8279=3, 6402/3.0=2...(8) QG2 VAL 115 - HB2 LEU 21 OK 15 100 - 15 - 851/4.6=2, 6404/1.8=1...(9) QD1 LEU 117 - HB2 LEU 21 OK 15 87 - 17 - ~8013=3, ~6412=3...(6) HB2 GLN 42 - HB2 LEU 21 OK 11 97 - 11 - ~6786=2, 6414/3.1=1, 6404/1.8=1 QD2 LEU 27 - HB2 LEU 84 OK 11 63 - 18 - 6525=2, 5504/4.0=2...(5) QD1 ILE 63 - HB2 LEU 84 poor 10 55 - 18 - 3536/3.1=2, ~4252=2...(6) QD1 LEU 27 - HB2 LEU 84 poor 10 64 - 15 - 5503/4.0=2, 4.8/883=2...(5) QD1 LEU 126 - HB2 LEU 21 lone 7 85 - 8 - QG2 VAL 115 - HB2 LEU 84 lone 5 63 - 7 - ~7964=1 QD1 LEU 41 - HB2 LEU 84 lone 4 63 - 7 - ~6753=1, 5503/4.0=1 QD1 LEU 55 - HB2 LEU 84 lone 4 61 - 7 - QD1 LEU 117 - HB2 LEU 84 lone 3 49 - 5 - 3.8/6135=1 QG2 VAL 49 - HB2 LEU 84 lone 2 62 - 3 - HB2 GLN 42 - HB2 LEU 84 lone 2 59 - 3 - QD1 LEU 126 - HB2 LEU 84 lone 1 48 - 2 - Peak 6409 from cnoeabs.peaks (1.41, 1.93, 41.51 ppm; 4.50 A): 9 out of 18 assignments used, quality = 0.94: HB2 LEU 27 + HB2 LEU 21 OK 69 96 - 73 - 6405/1.8=18, ~8240=12...(18) QB ALA 98 + HB2 LEU 84 OK 33 55 - 60 - 7668/3.1=14, ~7482=8...(16) HB VAL 110 + HB2 LEU 84 OK 26 53 - 49 - ~4251=9, 4978/3.1=9...(11) HB2 LEU 111 + HB2 LEU 84 OK 17 48 - 36 - ~8164=5, ~7916=4...(16) HG LEU 59 + HB2 LEU 21 OK 15 99 - 15 - 6405/1.8=3, 6429/4.6=3...(5) HB2 LEU 51 + HB2 LEU 84 OK 14 58 - 23 - 3079/3.1=4, ~4251=3...(10) HB2 LEU 111 + HB2 LEU 21 OK 12 85 - 14 - 6405/1.8=3, 6429/4.6=3...(4) HB2 LEU 51 + HB2 LEU 21 OK 11 97 - 12 - ~8424=4, 6405/1.8=3, 8197/3.1=1 HB2 LEU 27 + HB2 LEU 84 OK 11 57 - 19 - 4.3/883=3, 5500/4.0=2...(8) HB VAL 110 - HB2 LEU 21 lone 9 92 - 9 - 6405/1.8=2, ~7878=1, ~7869=1 QB ALA 98 - HB2 LEU 21 lone 8 93 - 9 - 6405/1.8=2 HB3 LEU 91 - HB2 LEU 21 lone 7 83 - 8 - 8364/1.8=2 HB3 LEU 93 - HB2 LEU 84 poor 6 36 - 17 - ~4252=2, ~4238=2...(8) HB3 LEU 93 - HB2 LEU 21 lone 6 68 - 9 - 6429/4.6=2, 6405/1.8=2 HB3 LEU 91 - HB2 LEU 84 poor 6 46 - 13 - ~4252=1, 4392/3.1=1, ~4238=1 QB ALA 122 - HB2 LEU 21 lone 5 100 - 5 - 6405/1.8=1 HG LEU 59 - HB2 LEU 84 lone 3 62 - 6 - QB ALA 122 - HB2 LEU 84 lone 2 63 - 4 - Peak 6410 from cnoeabs.peaks (0.91, 0.23, 23.90 ppm; 3.58 A): 3 out of 13 assignments used, quality = 0.94: QD2 LEU 27 + QD2 LEU 21 OK 68 97 - 70 - 6527/2.1=15, 6529=13...(21) QD1 LEU 27 + QD2 LEU 21 OK 65 95 - 69 - 2.1/6529=13, 3.1/8240=10...(22) QG2 ILE 22 + QD2 LEU 21 OK 43 97 - 45 - 4.0/71=10, 6414/2.1=5...(15) QD1 LEU 41 - QD2 LEU 21 OK 24 85 - 29 - ~6754=6, 6414/2.1=4...(12) QD2 LEU 41 - QD2 LEU 21 OK 18 73 - 25 - 6754/2.1=8, ~6752=3...(9) QD1 LEU 55 - QD2 LEU 21 OK 16 78 - 20 - 2.1/6411=5, 4.6/248=4...(7) QD1 LEU 117 - QD2 LEU 21 OK 16 100 - 16 - 2.1/6412=5, 6414/2.1=2 QG2 VAL 115 - QD2 LEU 21 OK 14 97 - 15 - 6335/6337=2, 2.1/6411=2...(5) QG2 VAL 49 - QD2 LEU 21 OK 14 99 - 14 - 2.1/6411=2, 6414/2.1=1...(4) HB2 GLN 42 - QD2 LEU 21 OK 12 100 - 12 - ~6786=2, 6414/2.1=2 QD1 ILE 63 - QD2 LEU 21 OK 11 63 - 17 - 7154/3.7=3, 6406/2.1=1...(6) QD1 LEU 126 - QD2 LEU 21 lone 8 100 - 8 - 2.1/6411=1 QD1 ILE 124 - QD2 LEU 21 lone 4 68 - 5 - 8121/3.1=2 Peak 6411 from cnoeabs.peaks (0.85, 0.23, 23.90 ppm; 3.91 A): 6 out of 10 assignments used, quality = 0.80: HG13 ILE 22 + QD2 LEU 21 OK 35 92 - 38 - 5.0/71=9, 3.2/6410=4...(16) HG13 ILE 80 + QD2 LEU 21 OK 29 90 - 32 - ~8344=9, ~8343=3...(11) QD2 LEU 114 + QD2 LEU 21 OK 27 100 - 27 - 7949/6396=3, 5086/2.1=3...(10) QD2 LEU 55 + QD2 LEU 21 OK 26 100 - 26 - 4.6/248=5, 7005/5.0=5...(6) QD1 LEU 59 + QD2 LEU 21 OK 12 97 - 12 - 853/5.0=2, 7015/3.7=1, ~6405=1 QG1 VAL 115 + QD2 LEU 21 OK 10 76 - 14 - 853/5.0=2, 2.1/6410=2...(4) QG1 VAL 49 - QD2 LEU 21 poor 9 60 - 14 - 8279/3.7=3, 2.1/6410=2...(5) QD1 LEU 93 - QD2 LEU 21 lone 6 73 - 8 - 853/5.0=1 QD2 LEU 126 - QD2 LEU 21 lone 6 85 - 6 - QD2 LEU 59 - QD2 LEU 21 lone 3 60 - 6 - ~6405=1 Peak 6412 from cnoeabs.peaks (1.13, 0.23, 23.90 ppm; 3.88 A): 4 out of 5 assignments used, quality = 0.85: QG2 VAL 50 + QD2 LEU 21 OK 56 99 - 57 - 2.1/6511=16, 3.2/2134=10...(13) HB3 LEU 54 + QD2 LEU 21 OK 39 63 - 62 - 1.8/3189=10, 3.0/3182=9...(18) QD2 LEU 117 + QD2 LEU 21 OK 28 99 - 28 - 8013=6, 7999/6396=4...(8) QG2 VAL 120 + QD2 LEU 21 OK 25 100 - 25 - 2.1/2136=4, 5298/3.1=3...(9) QG2 THR 62 - QD2 LEU 21 poor 9 85 - 10 - 7112/3.7=2 Peak 6413 from cnoeabs.peaks (1.31, 0.23, 23.90 ppm; 4.05 A): 7 out of 9 assignments used, quality = 0.94: QG2 THR 17 + QD2 LEU 21 OK 54 81 - 67 - 6337=30, 8194/2.1=21...(12) HG LEU 54 + QD2 LEU 21 OK 42 65 - 65 - 3203=10, 3.0/3196=9...(19) HB3 LEU 84 + QD2 LEU 21 OK 38 100 - 39 - 1.8/2111=5, 6407/2.1=5...(15) QG2 THR 23 + QD2 LEU 21 OK 38 98 - 39 - 6454/2.1=13...(7) HG3 LYS 46 + QD2 LEU 21 OK 16 81 - 20 - 5.1/6396=4, ~6416=2...(9) HG2 LYS 46 + QD2 LEU 21 OK 16 81 - 20 - 5.1/6396=4, ~6416=2...(9) HG3 LYS 119 + QD2 LEU 21 OK 14 96 - 15 - 6407/2.1=2, 6416/2.1=2...(5) HG CYS 87 - QD2 LEU 21 lone 9 100 - 9 - 5.6/5477=3, 4.6/6420=3 QB ALA 43 - QD2 LEU 21 lone 4 68 - 6 - 6416/2.1=1 Peak 6414 from cnoeabs.peaks (0.91, 0.65, 26.22 ppm; 2.81 A): 5 out of 13 assignments used, quality = 0.86: QD2 LEU 27 + QD1 LEU 21 OK 48 97 - 49 - 6527=11, 6529/2.1=7...(20) QD1 LEU 27 + QD1 LEU 21 OK 45 95 - 48 - 2.1/6527=10, ~6529=5...(20) QG2 ILE 22 + QD1 LEU 21 OK 26 97 - 27 - 4.0/5476=5, 6410/2.1=3...(12) QD1 LEU 41 + QD1 LEU 21 OK 20 85 - 24 - 2.1/6754=7, 2.1/6752=2...(7) QD2 LEU 41 + QD1 LEU 21 OK 17 73 - 23 - 6754=8, 2.1/6752=2...(7) QD1 LEU 117 - QD1 LEU 21 lone 9 100 - 9 - ~8013=2, ~6412=2, 6410/2.1=1 QG2 VAL 115 - QD1 LEU 21 lone 8 97 - 9 - 6335/8194=1 HB2 GLN 42 - QD1 LEU 21 lone 8 100 - 8 - 3.0/6786=2 QG2 VAL 49 - QD1 LEU 21 lone 7 99 - 7 - QD1 LEU 55 - QD1 LEU 21 lone 6 78 - 8 - ~6411=2, 6410/2.1=1 QD1 ILE 63 - QD1 LEU 21 lone 6 63 - 9 - 7154/3.7=1 QD1 LEU 126 - QD1 LEU 21 lone 4 100 - 4 - QD1 ILE 124 - QD1 LEU 21 lone 3 68 - 4 - Peak 6415 from cnoeabs.peaks (0.06, 0.23, 23.90 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.77: QD1 LEU 24 + QD2 LEU 21 OK 77 100 - 77 - 6464=22, 6403/3.7=17...(27) Peak 6416 from cnoeabs.peaks (1.33, 0.65, 26.22 ppm; 3.29 A): 5 out of 9 assignments used, quality = 0.83: QG2 THR 17 + QD1 LEU 21 OK 60 100 - 60 - 8194=29, 6337/2.1=19...(10) QG2 THR 23 + QD1 LEU 21 OK 29 97 - 30 - 6454=10, 4.3/864=4...(8) HB3 LEU 84 + QD1 LEU 21 OK 24 87 - 28 - 3.0/6417=5, 6407/2.1=4...(11) HG3 LYS 46 + QD1 LEU 21 OK 12 100 - 12 - 5.1/196=2, 6407/2.1=1...(5) HG2 LYS 46 + QD1 LEU 21 OK 12 100 - 12 - 5.1/196=2, 6407/2.1=1...(5) HG3 LYS 119 - QD1 LEU 21 lone 10 99 - 10 - 6407/2.1=1 QB ALA 43 - QD1 LEU 21 lone 5 99 - 5 - HB3 LEU 59 - QD1 LEU 21 lone 4 87 - 5 - HG CYS 87 - QD1 LEU 21 lone 4 92 - 4 - 5.6/5476=2 Peak 6417 from cnoeabs.peaks (3.48, 0.65, 26.22 ppm; 3.92 A): 4 out of 6 assignments used, quality = 0.83: HA VAL 18 + QD1 LEU 21 OK 63 99 - 64 - 6359=22, 5973/4.7=12...(15) HA LEU 84 + QD1 LEU 21 OK 35 93 - 38 - 3.0/6416=5, 5977/3.1=5...(14) HD3 PRO 70 + QD1 LEU 21 OK 16 68 - 23 - 1560/4.7=4, 5977/3.1=3...(7) HB3 SER 44 + QD1 LEU 21 OK 14 97 - 15 - 4.6/970=3, 5977/3.1=2...(6) HB2 SER 44 - QD1 LEU 21 poor 7 57 - 13 - 4.6/970=3, 5977/3.1=1...(4) HB2 PHE 96 - QD1 LEU 21 lone 3 60 - 4 - ~6395=1 Peak 6418 from cnoeabs.peaks (4.23, 0.23, 23.90 ppm; 4.96 A): 3 out of 12 assignments used, quality = 0.98: HA ILE 22 + QD2 LEU 21 OK 77 90 - 85 - 3.0/71=23, 4.9/2104=23...(28) HA VAL 26 + QD2 LEU 21 OK 74 97 - 76 - 3.6/6513=19, 3.0/6490=18...(22) HA THR 17 + QD2 LEU 21 OK 73 100 - 73 - 3.2/6337=30, ~8194=17...(14) HA LEU 58 - QD2 LEU 21 OK 42 78 - 54 - 3.0/7054=15, 4.3/7068=9...(17) HA CYS 52 - QD2 LEU 21 OK 28 97 - 29 - 3.0/6394=10, ~6399=5...(6) HB THR 19 - QD2 LEU 21 OK 21 89 - 24 - 4.4/5477=6, 1561/4.7=4...(8) HA SER 13 - QD2 LEU 21 OK 13 90 - 14 - 849/5.0=2, 3.0/6420=1...(4) HA GLU 64 - QD2 LEU 21 OK 10 63 - 16 - 3.0/2135=2, 3.0/2135=2...(6) HA VAL 66 - QD2 LEU 21 poor 9 89 - 10 - 849/5.0=2 HA ALA 89 - QD2 LEU 21 lone 8 97 - 8 - 2.1/8197=2 HA3 GLY 48 - QD2 LEU 21 lone 8 90 - 8 - 6891/8213=1 HA LEU 126 - QD2 LEU 21 lone 7 76 - 9 - 4.0/6411=1, 849/5.0=1 Peak 6419 from cnoeabs.peaks (4.24, 0.65, 26.22 ppm; 5.18 A): 4 out of 12 assignments used, quality = 0.99: HA THR 17 + QD1 LEU 21 OK 73 100 - 73 - 3.2/8194=27, ~6337=22...(14) HA VAL 26 + QD1 LEU 21 OK 69 90 - 77 - 3.6/6398=16, ~6490=14...(23) HA ILE 22 + QD1 LEU 21 OK 67 81 - 83 - 3.0/5476=21, ~71=17...(26) HA LEU 58 + QD1 LEU 21 OK 45 89 - 51 - ~7054=12, 3.0/7053=11...(15) HB THR 19 - QD1 LEU 21 OK 24 96 - 25 - 4.4/5476=6, 1561/4.7=4...(8) HA CYS 52 - QD1 LEU 21 OK 24 92 - 26 - 3.0/6399=8, ~6394=7...(5) HA GLU 64 - QD1 LEU 21 OK 13 76 - 17 - 3.0/2128=2, 3.0/2128=2...(6) HA SER 13 - QD1 LEU 21 poor 9 81 - 11 - 849/5.0=2, 6418/2.1=1, ~6420=1 HA ALA 89 - QD1 LEU 21 lone 7 99 - 7 - ~8197=1 HA3 GLY 48 - QD1 LEU 21 lone 7 97 - 7 - 6890/8344=2 HA VAL 66 - QD1 LEU 21 lone 6 78 - 8 - 849/5.0=2 HA LEU 126 - QD1 LEU 21 lone 4 63 - 6 - 849/5.0=1 Peak 6420 from cnoeabs.peaks (3.74, 0.23, 23.90 ppm; 4.73 A): 6 out of 9 assignments used, quality = 0.90: HA LEU 54 + QD2 LEU 21 OK 68 100 - 68 - 8730/6415=14, 3182=14...(13) HA CYS 87 + QD2 LEU 21 OK 30 96 - 32 - 3.0/5477=8, ~5476=5...(7) HA3 GLY 86 + QD2 LEU 21 OK 24 73 - 33 - 3.6/5477=7, 1.8/2134=4...(12) HA GLU 38 + QD2 LEU 21 OK 24 95 - 25 - 6467/6415=2, 3.0/8503=2...(6) HA GLU 73 + QD2 LEU 21 OK 18 100 - 18 - 6467/6415=1, ~8738=1...(6) HD2 PRO 30 + QD2 LEU 21 OK 10 81 - 13 - ~8249=1 HB3 SER 13 - QD2 LEU 21 lone 7 85 - 9 - 3.0/6418=1 HB3 SER 90 - QD2 LEU 21 lone 5 96 - 5 - HB3 SER 35 - QD2 LEU 21 lone 4 95 - 4 - Peak 6421 from cnoeabs.peaks (7.80, 4.21, 64.47 ppm; 4.82 A): 3 out of 5 assignments used, quality = 0.68: H GLY 25 + HA ILE 22 OK 59 96 - 62 - 6481/3.6=20, 6489=17...(10) HD21 ASN 99 + HA ILE 22 OK 14 78 - 18 - 1.7/6423=5, 6446/3.6=3...(5) HD21 ASN 106 + HA ILE 22 OK 10 100 - 10 - 6446/3.6=3, 7794/3.9=2 H LEU 45 - HA ILE 22 lone 8 85 - 9 - ~1563=4, 6446/3.6=3 H ILE 124 - HA ILE 22 lone 6 76 - 8 - 1527/3.0=2, 4.7/2140=1 Peak 6422 from cnoeabs.peaks (7.24, 4.21, 64.47 ppm; 4.96 A): 3 out of 7 assignments used, quality = 0.80: H VAL 26 + HA ILE 22 OK 70 99 - 71 - 4.7/6423=22, 4.6/6421=16...(17) QE PHE 96 + HA ILE 22 OK 19 100 - 19 - 6425/4.2=5, 93/6423=2...(6) QE PHE 40 + HA ILE 22 OK 19 81 - 23 - 6425/4.2=10, ~4678=2...(7) QD TYR 102 - HA ILE 22 lone 8 87 - 9 - 6425/4.2=3, 93/6423=1 HE ARG 57 - HA ILE 22 lone 8 78 - 10 - 6559/4.9=2, 1440/6421=2 H LYS 65 - HA ILE 22 lone 5 65 - 7 - 4.6/1090=2, 6425/4.2=2 HE ARG 71 - HA ILE 22 lone 3 95 - 3 - Peak 6423 from cnoeabs.peaks (6.75, 4.21, 64.47 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.69: H LEU 27 + HA ILE 22 OK 65 99 - 66 - 6541/3.0=14, 94=13...(17) HD22 ASN 99 + HA ILE 22 OK 10 97 - 11 - 1.7/6421=4, ~6427=2...(4) HZ PHE 107 - HA ILE 22 poor 10 100 - 10 - 7813/3.9=1 HE21 GLN 42 - HA ILE 22 lone 6 95 - 6 - Peak 6424 from cnoeabs.peaks (8.62, 0.80, 14.61 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.89: H SER 29 + QD1 ILE 22 OK 89 99 - 91 - 2.9/6437=29, 6426/3.0=26...(16) H ASN 106 - QD1 ILE 22 lone 4 90 - 4 - 6426/3.0=2 Peak 6425 from cnoeabs.peaks (7.23, 0.80, 14.61 ppm; 4.66 A): 3 out of 6 assignments used, quality = 0.60: QE PHE 40 + QD1 ILE 22 OK 33 97 - 34 - 4830=16, 6422/4.2=3...(9) H VAL 26 + QD1 ILE 22 OK 28 87 - 33 - 6422/4.2=12, 6492/3.0=5...(8) QE PHE 96 + QD1 ILE 22 OK 17 93 - 18 - 4830=4, 6422/4.2=3...(5) QD TYR 102 - QD1 ILE 22 lone 9 99 - 9 - 6422/4.2=1 H LYS 65 - QD1 ILE 22 lone 6 89 - 6 - HE ARG 71 - QD1 ILE 22 lone 2 76 - 2 - Peak 6426 from cnoeabs.peaks (8.61, 0.92, 16.87 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.86: H SER 29 + QG2 ILE 22 OK 83 100 - 83 - 6424/3.0=25, 2.9/6433=22...(17) H VAL 18 + QG2 ILE 22 OK 18 63 - 28 - ~6440=5, 3.0/6358=4...(11) H ILE 34 - QG2 ILE 22 lone 5 65 - 8 - 4.6/6428=2, 3.6/6288=1 H ASN 106 - QG2 ILE 22 lone 5 81 - 6 - 5.7/6427=1, 6424/3.0=1 Peak 6427 from cnoeabs.peaks (7.82, 0.92, 16.87 ppm; 4.87 A): 5 out of 5 assignments used, quality = 0.78: H GLY 25 + QG2 ILE 22 OK 57 99 - 57 - 6481/4.1=19, 6483=16...(11) H PHE 83 + QG2 ILE 22 OK 22 81 - 27 - 1684/4.1=5, 3.0/8355=4...(8) H ASN 79 + QG2 ILE 22 OK 17 95 - 18 - 5.6/6428=3, 7372=3...(5) HD21 ASN 99 + QG2 ILE 22 OK 13 100 - 13 - ~6423=3, 6421/3.2=3, 6446/4.1=3 HD21 ASN 106 + QG2 ILE 22 OK 11 92 - 12 - 6446/4.1=3, 7794/3.2=2...(4) Peak 6428 from cnoeabs.peaks (8.10, 0.92, 16.87 ppm; 4.92 A): 6 out of 6 assignments used, quality = 0.91: H LEU 24 + QG2 ILE 22 OK 63 92 - 68 - 79/4.1=22, 3.6/6453=18...(10) H LEU 55 + QG2 ILE 22 OK 34 87 - 39 - 4.6/2159=7, 1630/3.2=5...(12) HD22 ASN 79 + QG2 ILE 22 OK 27 100 - 27 - 1.7/7381=4, 7383=3...(8) H THR 33 + QG2 ILE 22 OK 26 100 - 26 - 1567/4.0=4, 3.6/6433=3...(10) H GLY 39 + QG2 ILE 22 OK 24 99 - 25 - 1567/4.0=3, 5995/3.2=3...(7) H GLN 105 + QG2 ILE 22 OK 12 92 - 13 - 1567/4.0=2, 1438/4.1=2...(4) Peak 6431 from cnoeabs.peaks (1.39, 4.21, 64.47 ppm; 4.52 A): 3 out of 8 assignments used, quality = 0.92: HB2 LEU 27 + HA ILE 22 OK 82 99 - 83 - 4.0/6423=21, 6521=14...(26) HB2 LEU 111 + HA ILE 22 OK 38 100 - 39 - 3.1/2146=7, 5002/4.2=6...(12) HG LEU 59 + HA ILE 22 OK 32 95 - 34 - 2.1/2145=5, 6429/3.0=4...(12) HB3 LEU 93 - HA ILE 22 OK 22 99 - 22 - 8476/3.9=4, 6429/3.0=3...(7) QG2 THR 121 - HA ILE 22 OK 17 96 - 18 - 8084/3.2=3, 8090/3.0=2...(7) HB VAL 110 - HA ILE 22 lone 7 100 - 7 - 6442/4.2=2, 6429/3.0=1 HG2 LYS 31 - HA ILE 22 lone 5 87 - 6 - QB ALA 122 - HA ILE 22 lone 4 73 - 5 - ~8458=2, 6429/3.0=1 Peak 6432 from cnoeabs.peaks (1.27, 1.91, 38.29 ppm; 4.76 A): 5 out of 6 assignments used, quality = 0.80: QG2 THR 116 + HB ILE 22 OK 38 100 - 38 - 7990=7, 3.2/5982=6...(12) QG2 THR 19 + HB ILE 22 OK 32 89 - 36 - 6376=9, 6375/2.1=8...(10) QD1 ILE 80 + HB ILE 22 OK 28 99 - 28 - 6430/3.9=6, ~8349=2...(8) QG2 ILE 80 + HB ILE 22 OK 27 99 - 28 - 6430/3.9=4, 4078=2...(9) HG LEU 54 + HB ILE 22 OK 10 99 - 10 - 6430/3.9=5, 2.1/6989=2 HG3 LYS 32 - HB ILE 22 lone 7 93 - 8 - ~6443=2, 6430/3.9=1 Peak 6433 from cnoeabs.peaks (4.44, 0.92, 16.87 ppm; 3.92 A): 2 out of 5 assignments used, quality = 0.81: HA SER 29 + QG2 ILE 22 OK 78 98 - 79 - 2.9/6426=21, 6574/3.0=21...(18) HA SER 113 + QG2 ILE 22 OK 13 100 - 13 - 6437/3.0=2, 4.9/7919=2...(5) HA LYS 32 - QG2 ILE 22 poor 10 83 - 12 - 3.6/6428=3, 6437/3.0=3 HA SER 90 - QG2 ILE 22 poor 9 83 - 11 - 7572/3.2=2, 3.0/6435=2, ~7579=1 HA PRO 60 - QG2 ILE 22 lone 1 73 - 1 - Peak 6434 from cnoeabs.peaks (3.94, 0.92, 16.87 ppm; 3.89 A): 4 out of 10 assignments used, quality = 0.87: HA THR 23 + QG2 ILE 22 OK 68 99 - 68 - 6453=23, 3.0/5480=17...(14) HA ARG 85 + QG2 ILE 22 OK 36 97 - 37 - 3.0/5480=8, 4274/4.1=7...(9) HA2 GLY 25 + QG2 ILE 22 OK 29 99 - 30 - 3.0/6427=10, ~6421=6...(6) HB THR 62 + QG2 ILE 22 OK 13 65 - 20 - 3.0/7102=2, 7106/3.2=2...(10) HD3 PRO 68 - QG2 ILE 22 poor 9 65 - 14 - 4.8/7208=2, 2.3/2158=1 HD2 PRO 68 - QG2 ILE 22 poor 8 60 - 14 - 4.8/7208=2, 2.3/2158=1 HA3 GLY 125 - QG2 ILE 22 lone 8 97 - 8 - 3.0/2154=2, 3.6/1424=2 HA2 GLY 125 - QG2 ILE 22 lone 8 97 - 8 - 3.0/2154=2, 3.6/1424=2 HA SER 74 - QG2 ILE 22 lone 4 99 - 4 - HA ALA 43 - QG2 ILE 22 lone 4 81 - 5 - Peak 6435 from cnoeabs.peaks (3.81, 0.92, 16.87 ppm; 3.24 A): 3 out of 11 assignments used, quality = 0.88: HB2 SER 29 + QG2 ILE 22 OK 62 100 - 62 - 3.0/6433=14, 3.9/6426=11...(19) HB3 SER 29 + QG2 ILE 22 OK 61 100 - 62 - 3.0/6433=14, 3.9/6426=11...(18) HA THR 116 + QG2 ILE 22 OK 15 78 - 20 - ~6432=2, 6438/3.0=2...(8) HA LYS 119 - QG2 ILE 22 poor 10 71 - 14 - 4.0/6436=2, 6438/3.0=2 HB2 SER 90 - QG2 ILE 22 lone 8 97 - 8 - 7575/3.2=2, 3.0/6433=2, ~7579=1 HA2 GLY 88 - QG2 ILE 22 lone 8 100 - 8 - ~7553=1 HA3 GLY 88 - QG2 ILE 22 lone 8 99 - 8 - ~7553=1 HA3 GLY 39 - QG2 ILE 22 lone 6 100 - 6 - 2.9/6428=2 HA2 GLY 61 - QG2 ILE 22 lone 6 92 - 6 - 3.6/2154=1 HB2 SER 74 - QG2 ILE 22 lone 1 65 - 1 - HB3 SER 74 - QG2 ILE 22 lone 1 63 - 1 - Peak 6436 from cnoeabs.peaks (1.30, 0.92, 16.87 ppm; 4.05 A): 5 out of 8 assignments used, quality = 0.80: QG2 THR 23 + QG2 ILE 22 OK 44 93 - 47 - 2190/4.1=16, 3.2/6453=14...(8) HB3 LEU 84 + QG2 ILE 22 OK 39 99 - 40 - 5765/4.1=7, 4.3/5480=7...(16) QG2 THR 17 + QG2 ILE 22 OK 21 68 - 31 - 4.4/6426=3, 2.1/6333=3...(11) HG3 LYS 119 + QG2 ILE 22 OK 16 89 - 18 - ~8033=2, 4.0/6435=1...(6) HG CYS 87 + QG2 ILE 22 OK 12 97 - 13 - 5.6/2154=4, 4.6/7534=3...(5) HG LEU 54 - QG2 ILE 22 lone 5 78 - 7 - 6430/4.0=2, ~6989=1 HG2 LYS 46 - QG2 ILE 22 lone 5 68 - 8 - 858/4.1=2 HG3 LYS 46 - QG2 ILE 22 lone 5 68 - 8 - 858/4.1=2 Peak 6437 from cnoeabs.peaks (4.42, 0.80, 14.61 ppm; 3.51 A): 3 out of 4 assignments used, quality = 0.81: HA SER 29 + QD1 ILE 22 OK 76 97 - 78 - 6574=30, 2.9/6424=19...(19) HA LYS 32 + QD1 ILE 22 OK 13 100 - 13 - 6609/6439=3, 3.8/6443=2...(6) HA SER 113 + QD1 ILE 22 OK 10 90 - 11 - 6433/3.0=2, ~7932=1, 8455/2.1=1 HA THR 121 - QD1 ILE 22 lone 8 95 - 8 - Peak 6438 from cnoeabs.peaks (3.82, 0.80, 14.61 ppm; 3.34 A): 3 out of 11 assignments used, quality = 0.93: HB2 SER 29 + QD1 ILE 22 OK 71 99 - 71 - 3.0/6437=17, 6576=14...(20) HB3 SER 29 + QD1 ILE 22 OK 70 100 - 71 - 3.0/6437=17, 6576=14...(19) HA THR 116 + QD1 ILE 22 OK 23 96 - 24 - 6371=3, 6435/3.0=2...(13) HA LYS 119 - QD1 ILE 22 OK 16 92 - 18 - 3.0/8033=2, 6435/3.0=1...(8) HA THR 19 - QD1 ILE 22 OK 13 71 - 19 - 6371=2, 3.2/6443=2...(11) HB2 SER 90 - QD1 ILE 22 poor 9 83 - 11 - 7575/2.1=2, ~7579=2...(4) HA3 GLY 88 - QD1 ILE 22 lone 8 100 - 8 - ~7553=2, 6435/3.0=1 HA2 GLY 88 - QD1 ILE 22 lone 8 99 - 8 - ~7553=2, 6435/3.0=1 HA LEU 77 - QD1 ILE 22 lone 7 83 - 9 - 3.7/6443=2, 6108/3.2=1 HA3 GLY 39 - QD1 ILE 22 lone 5 97 - 5 - HA2 GLY 61 - QD1 ILE 22 lone 4 71 - 6 - 3.6/2175=1 Peak 6439 from cnoeabs.peaks (3.69, 0.80, 14.61 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.72: HD3 PRO 30 + QD1 ILE 22 OK 66 100 - 67 - 3.8/6437=17, 6599=15...(13) HA3 GLY 86 + QD1 ILE 22 OK 16 68 - 24 - 3.6/2175=7, ~7511=4...(8) HB2 TRP 20 - QD1 ILE 22 lone 9 97 - 10 - 5968/4.2=2, 2028/4.9=2 HA2 GLY 104 - QD1 ILE 22 lone 2 85 - 2 - Peak 6440 from cnoeabs.peaks (3.47, 0.80, 14.61 ppm; 4.83 A): 3 out of 5 assignments used, quality = 0.66: HA VAL 18 + QD1 ILE 22 OK 41 99 - 42 - 5978/4.9=11, 3.2/6443=7...(10) HA LEU 84 + QD1 ILE 22 OK 28 63 - 44 - 3.6/5483=10, 3.9/6444=7...(16) HD3 PRO 70 + QD1 ILE 22 OK 20 96 - 21 - 1566/4.9=4, 8326/2.1=3...(7) HB2 SER 44 - QD1 ILE 22 lone 7 90 - 8 - 6829/3.0=1, 1566/4.9=1, ~6831=1 HB3 SER 44 - QD1 ILE 22 lone 5 71 - 7 - 1566/4.9=2, 6831/3.0=1, ~6829=1 Peak 6441 from cnoeabs.peaks (1.63, 0.80, 14.61 ppm; 4.35 A): 5 out of 18 assignments used, quality = 0.90: HG LEU 27 + QD1 ILE 22 OK 54 73 - 74 - 8619/2.1=10, ~8477=8...(25) HG2 PRO 30 + QD1 ILE 22 OK 54 92 - 59 - 2.3/6439=30, 2.3/6596=15...(10) HB2 LEU 59 + QD1 ILE 22 OK 33 100 - 34 - 3.0/6442=4, 3401/2.1=3...(14) HB3 LEU 41 + QD1 ILE 22 OK 18 63 - 29 - 3.0/2179=3, 3.1/2178=2...(15) HB ILE 34 + QD1 ILE 22 OK 16 85 - 19 - 3.2/6652=17 HB3 LYS 32 - QD1 ILE 22 OK 16 97 - 17 - 3.0/6437=5, 3.0/6443=3...(4) HG LEU 51 - QD1 ILE 22 OK 15 99 - 15 - 2.1/6444=8, ~6929=2...(4) HG12 ILE 63 - QD1 ILE 22 OK 13 68 - 19 - 3525/3.0=2, ~3532=2...(8) HB3 LEU 126 - QD1 ILE 22 OK 13 71 - 18 - 3.0/2176=2, 7077/3.2=1...(6) HB2 LEU 126 - QD1 ILE 22 OK 12 68 - 18 - 3.0/2176=2, 7077/3.2=1...(5) HD2 LYS 32 - QD1 ILE 22 OK 11 87 - 12 - 2.9/6443=3, 5.0/6437=3 HD3 LYS 32 - QD1 ILE 22 OK 11 87 - 12 - 2.9/6443=3, 5.0/6437=3 HB3 GLN 42 - QD1 ILE 22 lone 9 99 - 9 - HG3 ARG 85 - QD1 ILE 22 lone 9 89 - 10 - 5.0/5483=6, 4306/78=1 HD3 LYS 31 - QD1 ILE 22 lone 7 99 - 7 - HD2 LYS 31 - QD1 ILE 22 lone 7 99 - 7 - HG2 ARG 53 - QD1 ILE 22 lone 7 87 - 8 - HG LEU 101 - QD1 ILE 22 lone 6 98 - 6 - ~7713=1 Peak 6442 from cnoeabs.peaks (1.40, 0.80, 14.61 ppm; 4.89 A): 3 out of 10 assignments used, quality = 0.97: HB2 LEU 27 + QD1 ILE 22 OK 86 100 - 86 - ~8477=14, 8482/2.1=12...(29) HB2 LEU 111 + QD1 ILE 22 OK 64 98 - 65 - 1.8/6443=16, 5002=10...(19) HG LEU 59 + QD1 ILE 22 OK 42 100 - 42 - 8414/2.1=5, 3415/2.1=5...(14) HB3 LEU 93 - QD1 ILE 22 OK 35 90 - 38 - 8476/2.1=5, 3.1/2180=3...(19) HB VAL 110 - QD1 ILE 22 OK 21 100 - 21 - 2.1/6444=5, 4.4/1342=5...(5) QG2 THR 121 - QD1 ILE 22 OK 18 78 - 23 - 3.2/6437=3, 8476/2.1=3...(7) HB2 LEU 51 - QD1 ILE 22 OK 14 81 - 17 - 3.1/6444=8, ~6929=2...(4) HG2 LYS 31 - QD1 ILE 22 poor 7 63 - 10 - 8476/2.1=1 QB ALA 122 - QD1 ILE 22 lone 5 93 - 5 - QB ALA 98 - QD1 ILE 22 lone 4 73 - 5 - Peak 6443 from cnoeabs.peaks (1.23, 0.80, 14.61 ppm; 4.45 A): 5 out of 7 assignments used, quality = 0.74: HB3 LEU 111 + QD1 ILE 22 OK 46 90 - 51 - 1.8/5002=10, 5009=8...(15) QG2 VAL 18 + QD1 ILE 22 OK 26 73 - 35 - 3.2/6440=11, 2.1/8420=6...(10) QG2 THR 19 + QD1 ILE 22 OK 16 63 - 26 - 6375/3.0=4, 6376/3.2=3...(12) HG LEU 77 + QD1 ILE 22 OK 13 100 - 13 - 7344/2.1=1, 3.7/6438=1...(5) HG2 LYS 32 + QD1 ILE 22 OK 13 93 - 14 - 3.8/6437=4, 2516/6437=2...(5) HB3 LEU 24 - QD1 ILE 22 lone 7 97 - 7 - 6494/6425=1 HG13 ILE 124 - QD1 ILE 22 lone 5 97 - 5 - 5939/4.9=1 Peak 6444 from cnoeabs.peaks (0.16, 0.80, 14.61 ppm; 4.41 A): 4 out of 4 assignments used, quality = 0.64: QD1 ILE 34 + QD1 ILE 22 OK 38 92 - 41 - 6652=25, 6645/6439=7...(8) QD2 LEU 84 + QD1 ILE 22 OK 21 65 - 32 - 3.9/6440=6, ~6436=4...(14) QD2 LEU 51 + QD1 ILE 22 OK 18 99 - 19 - 6929/2.1=3, 6600/6439=3...(6) QG1 VAL 110 + QD1 ILE 22 OK 11 65 - 16 - 4.3/1342=4, 2.1/6442=2...(4) Peak 6445 from cnoeabs.peaks (7.80, 3.94, 66.69 ppm; 4.60 A): 3 out of 5 assignments used, quality = 0.79: H GLY 25 + HA THR 23 OK 70 96 - 74 - 1439/3.6=23, 6481/3.0=21...(13) H LEU 45 + HA THR 23 OK 21 85 - 25 - 1605=5, ~8199=4, ~1570=4...(8) HD21 ASN 99 + HA THR 23 OK 10 78 - 13 - 1439/3.6=4, 6446/3.0=3 HD21 ASN 106 - HA THR 23 lone 10 100 - 10 - 6446/3.0=3, 1439/3.6=3 H ILE 124 - HA THR 23 lone 4 76 - 5 - 6446/3.0=1, 8109=1 Peak 6448 from cnoeabs.peaks (7.82, 1.32, 21.20 ppm; 4.98 A): 5 out of 5 assignments used, quality = 0.86: H GLY 25 + QG2 THR 23 OK 76 100 - 76 - 1439/4.3=23, 6481/4.0=21...(13) H ASN 79 + QG2 THR 23 OK 16 87 - 18 - 1439/4.3=5, 4.6/5486=3...(5) HD21 ASN 99 + QG2 THR 23 OK 14 99 - 14 - 1439/4.3=4, 6446/4.0=3 H PHE 83 + QG2 THR 23 OK 11 68 - 16 - 1684/4.0=5, 4.6/1186=4...(4) HD21 ASN 106 + QG2 THR 23 OK 10 97 - 11 - 6446/4.0=3, 6445/3.2=3 Peak 6449 from cnoeabs.peaks (7.29, 1.32, 21.20 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.65: HD1 TRP 20 + QG2 THR 23 OK 65 99 - 66 - 4628=21, 4631/2.1=18...(12) QD PHE 96 - QG2 THR 23 lone 7 85 - 8 - 6452/4.3=2, 6476/6455=1 HE ARG 57 - QG2 THR 23 lone 6 63 - 9 - 6452/4.3=3, 6475/6454=1 HZ PHE 40 - QG2 THR 23 lone 5 100 - 5 - 6476/6455=1 Peak 6450 from cnoeabs.peaks (8.30, 1.32, 21.20 ppm; 4.64 A): 3 out of 5 assignments used, quality = 0.85: H ILE 22 + QG2 THR 23 OK 56 100 - 56 - 1437/4.0=20, 1573/4.3=14...(10) H TRP 20 + QG2 THR 23 OK 42 63 - 67 - 3.0/8199=19, ~5986=19...(10) H CYS 87 + QG2 THR 23 OK 41 100 - 41 - 1701/4.0=11, 7525=8...(11) H THR 62 - QG2 THR 23 lone 6 78 - 8 - 72/4.0=2 H GLY 125 - QG2 THR 23 lone 6 87 - 7 - 72/4.0=1, 1573/4.3=1 Peak 6453 from cnoeabs.peaks (0.92, 3.94, 66.69 ppm; 3.83 A): 4 out of 11 assignments used, quality = 0.78: QG2 ILE 22 + HA THR 23 OK 65 100 - 65 - 5480/3.0=17, 6434=17...(14) QD2 LEU 27 + HA THR 23 OK 16 100 - 16 - 75/3.0=4, 4.0/2184=2...(5) QD1 LEU 27 + HA THR 23 OK 16 100 - 16 - 75/3.0=4, 4.0/2184=2...(5) QD1 LEU 55 + HA THR 23 OK 11 96 - 11 - ~77=3, 75/3.0=3...(4) QG2 VAL 115 - HA THR 23 lone 10 100 - 10 - 75/3.0=3, ~77=2, ~78=1 QD1 ILE 63 - HA THR 23 lone 7 87 - 8 - 75/3.0=2, 7152=1, 7127/3.6=1 QD1 LEU 41 - HA THR 23 lone 6 98 - 6 - 75/3.0=2, ~76=1 HB2 GLN 42 - HA THR 23 lone 4 99 - 4 - QG2 VAL 49 - HA THR 23 lone 3 100 - 3 - QD1 LEU 117 - HA THR 23 lone 2 93 - 2 - QD1 LEU 126 - HA THR 23 lone 2 92 - 2 - Peak 6454 from cnoeabs.peaks (0.66, 1.32, 21.20 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.74: QD2 LEU 24 + QG2 THR 23 OK 53 100 - 54 - 2.1/6455=25, 4.8/5486=12...(6) QD1 LEU 21 + QG2 THR 23 OK 36 100 - 36 - 6416=9, 864/4.3=6...(10) QD1 LEU 45 + QG2 THR 23 OK 14 93 - 15 - 4.0/8199=5, 864/4.3=2...(5) QD1 LEU 77 - QG2 THR 23 poor 6 57 - 11 - 864/4.3=3, ~8511=1...(4) Peak 6455 from cnoeabs.peaks (0.05, 1.32, 21.20 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.66: QD1 LEU 24 + QG2 THR 23 OK 66 99 - 66 - 865/4.3=28, 2.1/6454=22...(7) Peak 6456 from cnoeabs.peaks (1.92, 1.32, 21.20 ppm; 4.62 A): 7 out of 18 assignments used, quality = 0.93: HB ILE 22 + QG2 THR 23 OK 53 95 - 56 - 4.4/2190=20, 2.1/6436=12...(8) HB2 LEU 84 + QG2 THR 23 OK 43 85 - 50 - 4.3/2190=10, 5764/4.0=6...(14) HB2 LEU 21 + QG2 THR 23 OK 42 100 - 42 - 3.1/6454=13, 4.6/6450=9...(10) HB2 ARG 85 + QG2 THR 23 OK 24 71 - 34 - 4.0/2190=11, 3.0/2191=7...(10) HB3 ARG 85 + QG2 THR 23 OK 24 71 - 34 - 4.0/2190=11, 3.0/2191=7...(10) HG LEU 58 + QG2 THR 23 OK 18 97 - 18 - 8507/6455=10, 8200/4.3=2 HB3 LYS 119 + QG2 THR 23 OK 10 81 - 12 - 1.8/5205=1, 3.0/5195=1 HB2 ARG 81 - QG2 THR 23 lone 8 93 - 9 - 3.0/6136=3, 74/4.0=1 HB ILE 80 - QG2 THR 23 lone 7 100 - 7 - HB3 GLU 69 - QG2 THR 23 lone 7 81 - 9 - 3.0/8199=4, ~5987=2, 3772/8199=1 HB3 PRO 30 - QG2 THR 23 lone 7 71 - 9 - 2.3/2192=2 HB2 GLU 28 - QG2 THR 23 lone 6 87 - 7 - 74/4.0=2, 6564/6436=1 HB2 GLU 38 - QG2 THR 23 lone 6 85 - 6 - 4.4/5486=2, 5549/4.3=1 HB3 GLU 73 - QG2 THR 23 lone 5 97 - 6 - 74/4.0=1 HB3 MET 11 - QG2 THR 23 lone 4 99 - 4 - HB2 LYS 109 - QG2 THR 23 lone 4 92 - 4 - HB3 GLU 64 - QG2 THR 23 lone 3 95 - 3 - HB2 GLU 64 - QG2 THR 23 lone 2 92 - 3 - Peak 6457 from cnoeabs.peaks (1.91, 3.94, 66.69 ppm; 4.94 A): 3 out of 15 assignments used, quality = 0.96: HB ILE 22 + HA THR 23 OK 78 100 - 78 - 5479/3.0=26, 2.1/6453=22...(12) HB2 LEU 84 + HA THR 23 OK 64 100 - 65 - 4.3/2182=11, 5764/3.0=10...(18) HG LEU 84 + HA THR 23 OK 47 85 - 55 - 3.0/2185=8, 5766/3.0=8...(17) HB2 LEU 21 - HA THR 23 OK 26 85 - 31 - ~6454=7, 8200/3.6=6...(7) HG LEU 55 - HA THR 23 OK 14 76 - 19 - ~77=5, 2.1/6453=4, ~75=2...(6) HB2 ARG 81 - HA THR 23 OK 11 100 - 11 - ~6138=4, ~6136=2, 74/3.0=2 HB2 GLU 28 - HA THR 23 OK 11 100 - 11 - 74/3.0=3, ~76=2, 6564/6453=2 HB2 LYS 119 - HA THR 23 OK 11 78 - 14 - ~1571=2, 2.9/2185=2...(5) HB3 GLU 73 - HA THR 23 lone 7 100 - 7 - ~76=2, 74/3.0=1, 8200/3.6=1 HG LEU 58 - HA THR 23 lone 6 71 - 8 - 8200/3.6=3, 6456/3.2=2, 74/3.0=1 HB ILE 80 - HA THR 23 lone 5 92 - 6 - 8200/3.6=1, 74/3.0=1 HB3 LYS 31 - HA THR 23 lone 5 78 - 6 - 8200/3.6=2, 3.0/6458=1 HB3 MET 11 - HA THR 23 lone 4 98 - 4 - HB VAL 50 - HA THR 23 lone 3 78 - 3 - HB3 GLU 64 - HA THR 23 lone 2 63 - 3 - Peak 6458 from cnoeabs.peaks (4.10, 3.94, 66.69 ppm; 4.50 A): 2 out of 7 assignments used, quality = 0.87: HA LEU 24 + HA THR 23 OK 68 100 - 68 - 3.6/6445=17, 6459/3.2=15...(8) HA3 GLY 25 + HA THR 23 OK 58 90 - 65 - 3.0/6445=19, ~6481=11...(11) HA ARG 57 - HA THR 23 lone 7 90 - 8 - 860/3.6=4, 6459/3.2=2 HA SER 44 - HA THR 23 poor 7 60 - 11 - 3.6/6445=5, 2.9/184=2 HB3 SER 78 - HA THR 23 lone 5 60 - 9 - 3.9/5484=4, 4040/3.6=2 HA LYS 31 - HA THR 23 lone 5 93 - 5 - 860/3.6=2 HA VAL 120 - HA THR 23 lone 4 93 - 5 - 860/3.6=1 Peak 6459 from cnoeabs.peaks (4.11, 1.32, 21.20 ppm; 4.25 A): 3 out of 7 assignments used, quality = 0.89: HA LEU 24 + QG2 THR 23 OK 77 97 - 79 - 3.0/5486=24, 4.0/6455=23...(9) HA3 GLY 25 + QG2 THR 23 OK 48 99 - 48 - 3.0/6448=15, 6458/3.2=10...(9) HA ARG 57 + QG2 THR 23 OK 10 99 - 10 - 860/4.3=3, 2230/6455=2...(4) HB3 SER 78 - QG2 THR 23 poor 9 85 - 10 - 3.9/5486=3, 4.5/6448=2 HA LYS 31 - QG2 THR 23 lone 4 73 - 6 - 860/4.3=1 HA VAL 120 - QG2 THR 23 lone 4 73 - 5 - HA ALA 98 - QG2 THR 23 lone 1 60 - 2 - Peak 6461 from cnoeabs.peaks (0.21, 1.51, 43.84 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.97: QD1 LEU 54 + HB2 LEU 24 OK 79 100 - 79 - 6993/3.1=46, 6463/3.1=22...(15) QD2 LEU 21 + HB2 LEU 24 OK 72 81 - 89 - 6415/3.1=35, 6463/3.1=21...(19) QD1 LEU 54 + HB3 LEU 58 OK 42 55 - 76 - 7065/3.1=31, 7068/3.0=24...(15) QD2 LEU 21 - HB3 LEU 58 OK 25 38 - 66 - 7068/3.0=15, 7054/3.9=13...(22) Peak 6462 from cnoeabs.peaks (0.22, 1.22, 43.84 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 21 + HB3 LEU 24 OK 87 97 - 90 - 6415/3.1=42, 6463/3.1=19...(22) QD1 LEU 54 + HB3 LEU 24 OK 76 99 - 77 - 6993/3.1=46, 6463/3.1=21...(15) Peak 6463 from cnoeabs.peaks (0.21, 0.66, 22.40 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.88: QD1 LEU 54 + QD2 LEU 24 OK 66 100 - 66 - 6993/2.1=41, 6462/3.1=8...(12) QD2 LEU 21 + QD2 LEU 24 OK 63 81 - 78 - 6415/2.1=29, 2.1/2124=11...(20) Peak 6464 from cnoeabs.peaks (0.22, 0.06, 25.16 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 54 + QD1 LEU 24 OK 80 100 - 80 - 6993=50, 6463/2.1=14...(18) QD2 LEU 21 + QD1 LEU 24 OK 73 90 - 81 - 6415=39, 3.7/6403=16...(25) Peak 6465 from cnoeabs.peaks (0.99, 0.06, 25.16 ppm; 3.51 A): 3 out of 9 assignments used, quality = 0.98: QD2 LEU 58 + QD1 LEU 24 OK 82 99 - 83 - 7067=32, 2.1/7066=20...(26) QD1 LEU 58 + QD1 LEU 24 OK 75 92 - 81 - 2.1/7067=22, 7066=20...(26) QG1 VAL 18 + QD1 LEU 24 OK 51 100 - 51 - 7067=17, 6470/2.1=7...(16) HB3 LEU 27 - QD1 LEU 24 OK 15 83 - 18 - 8240/6415=4, 6518/8214=2...(7) QD1 LEU 101 - QD1 LEU 24 OK 14 100 - 14 - 6470/2.1=2, 7707/8214=2 HG3 LYS 65 - QD1 LEU 24 lone 9 99 - 9 - 6470/2.1=2 HG2 LYS 65 - QD1 LEU 24 lone 9 99 - 9 - 6470/2.1=2 QG2 ILE 124 - QD1 LEU 24 lone 4 60 - 7 - 3.2/7041=1 QG2 THR 95 - QD1 LEU 24 lone 2 96 - 2 - Peak 6466 from cnoeabs.peaks (3.37, 0.06, 25.16 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.90: HA LEU 21 + QD1 LEU 24 OK 86 96 - 90 - 6403=47, 3.7/6415=31...(18) HA VAL 50 + QD1 LEU 24 OK 26 83 - 32 - 8215/8214=5, 5994/3.1=5...(10) HB3 PHE 40 - QD1 LEU 24 poor 10 90 - 11 - 5.8/6476=1, 6469/2.1=1...(6) HD3 PRO 60 - QD1 LEU 24 lone 3 63 - 5 - 6469/2.1=2 Peak 6467 from cnoeabs.peaks (3.74, 0.06, 25.16 ppm; 5.22 A): 5 out of 10 assignments used, quality = 0.90: HA LEU 54 + QD1 LEU 24 OK 79 99 - 79 - 8730=50, 4.0/6993=44...(6) HA GLU 38 + QD1 LEU 24 OK 24 87 - 28 - 3.6/2229=5, 3206/6993=3...(11) HA GLU 73 + QD1 LEU 24 OK 19 100 - 19 - ~8738=3, 3206/6993=3...(8) HA3 GLY 86 + QD1 LEU 24 OK 16 85 - 19 - 7512/2.1=3, ~6161=2...(8) HA CYS 87 + QD1 LEU 24 OK 12 89 - 13 - 6420/6415=3, ~7524=1...(4) HB3 SER 90 - QD1 LEU 24 lone 7 99 - 7 - 7577/2.1=2, ~7573=1 HD2 PRO 30 - QD1 LEU 24 lone 7 68 - 10 - 6587/4630=2, 3206/6993=1 HB3 SER 13 - QD1 LEU 24 lone 5 73 - 7 - 6510/8214=2, 6506/8224=2 HA2 GLY 104 - QD1 LEU 24 lone 4 68 - 5 - 3.6/2229=3 HB3 SER 35 - QD1 LEU 24 lone 3 87 - 3 - Peak 6468 from cnoeabs.peaks (4.23, 0.66, 22.40 ppm; 4.54 A): 4 out of 11 assignments used, quality = 0.94: HA VAL 26 + QD2 LEU 24 OK 80 99 - 81 - ~8214=22, ~6491=19...(19) HA LEU 58 + QD2 LEU 24 OK 47 68 - 69 - 3.0/6478=17, ~8435=13...(18) HA ILE 22 + QD2 LEU 24 OK 32 96 - 33 - 3.0/70=9, 4.9/2103=8...(8) HA THR 17 + QD2 LEU 24 OK 17 99 - 17 - 3.2/8194=6, ~8205=2, 1572/4.8=1 HA ALA 89 - QD2 LEU 24 lone 8 92 - 8 - 3.6/6478=2 HA VAL 66 - QD2 LEU 24 lone 7 95 - 7 - 1572/4.8=2, 4.7/7167=1 HA CYS 52 - QD2 LEU 24 lone 6 99 - 6 - HA SER 13 - QD2 LEU 24 lone 4 96 - 5 - HB THR 19 - QD2 LEU 24 lone 4 81 - 5 - HA LEU 126 - QD2 LEU 24 lone 4 85 - 5 - 2.9/6478=2 HA3 GLY 48 - QD2 LEU 24 lone 3 83 - 3 - Peak 6469 from cnoeabs.peaks (3.34, 0.66, 22.40 ppm; 4.65 A): 2 out of 4 assignments used, quality = 0.57: HD2 ARG 57 + QD2 LEU 24 OK 48 68 - 71 - ~7041=19, 2.9/7039=10...(20) HD3 ARG 85 + QD2 LEU 24 OK 16 99 - 16 - 3.0/2224=3, 4326/3.1=2...(8) HD3 PRO 60 - QD2 LEU 24 lone 9 100 - 9 - 3.0/8209=1, 2.3/8207=1 HB3 PHE 40 - QD2 LEU 24 lone 7 98 - 7 - 6466/2.1=2, ~6744=1, ~4668=1 Peak 6470 from cnoeabs.peaks (0.98, 0.66, 22.40 ppm; 3.30 A): 4 out of 9 assignments used, quality = 0.92: QD2 LEU 58 + QD2 LEU 24 OK 67 89 - 76 - 7067/2.1=18, 6365=15...(24) QD1 LEU 58 + QD2 LEU 24 OK 50 71 - 71 - 7066/2.1=13, 2.1/6365=11...(24) QG1 VAL 18 + QD2 LEU 24 OK 42 99 - 43 - 7067/2.1=9, 6365=8...(13) QD1 LEU 101 + QD2 LEU 24 OK 13 98 - 13 - 6465/2.1=2 HG3 LYS 65 - QD2 LEU 24 lone 9 100 - 9 - 6465/2.1=1 HG2 LYS 65 - QD2 LEU 24 lone 9 100 - 9 - 6465/2.1=1 HB3 LEU 27 - QD2 LEU 24 poor 9 57 - 15 - 3.1/6527=3, 4.0/6477=3...(4) QG2 ILE 124 - QD2 LEU 24 lone 6 85 - 7 - QG2 THR 95 - QD2 LEU 24 lone 2 100 - 2 - Peak 6471 from cnoeabs.peaks (7.26, 4.10, 55.54 ppm; 4.50 A): 3 out of 6 assignments used, quality = 0.93: H VAL 26 + HA LEU 24 OK 74 96 - 78 - 6491/4.0=22, 90/3.6=22...(12) HE ARG 57 + HA LEU 24 OK 56 100 - 57 - 8546=10, 8551/4.0=7...(15) HD1 TRP 20 + HA LEU 24 OK 37 73 - 51 - 4630/4.0=25, 4629/4.0=12...(6) QD PHE 96 - HA LEU 24 OK 26 97 - 27 - 6452/3.0=4, 1440/3.6=3...(9) QE PHE 96 - HA LEU 24 OK 22 90 - 24 - 1440/3.6=5, 6473/3.0=5...(8) HE ARG 71 - HA LEU 24 lone 5 99 - 4 - Peak 6472 from cnoeabs.peaks (7.26, 1.51, 43.84 ppm; 4.72 A): 3 out of 12 assignments used, quality = 0.97: H VAL 26 + HB2 LEU 24 OK 85 99 - 86 - 6496=31, 6491/3.1=30...(14) HE ARG 57 + HB2 LEU 24 OK 63 99 - 64 - ~6469=11, 6473/1.8=10...(17) HD1 TRP 20 + HB2 LEU 24 OK 51 60 - 85 - 4630/3.1=27, ~6387=22...(13) QE PHE 96 - HB2 LEU 24 OK 34 97 - 35 - 6473/1.8=6, 1440/4.6=4...(13) QD PHE 96 - HB2 LEU 24 OK 28 90 - 31 - ~6473=4, 6473/1.8=4...(11) H VAL 26 - HB3 LEU 58 OK 12 53 - 23 - 6496=5, 6491/2207=4...(7) HD1 TRP 20 - HB3 LEU 58 OK 11 26 - 40 - ~8505=17, ~8504=14...(7) QE PHE 96 - HB3 LEU 58 poor 8 50 - 16 - ~4729=3, 4722/3.1=3...(5) QD PHE 96 - HB3 LEU 58 poor 8 44 - 18 - 4712/3.1=3, 4712/3.1=3...(5) HE ARG 57 - HB3 LEU 58 poor 7 53 - 13 - 8550=2, 4.9/8479=1 HE ARG 71 - HB2 LEU 24 lone 5 100 - 5 - HE ARG 71 - HB3 LEU 58 lone 1 55 - 2 - Peak 6473 from cnoeabs.peaks (7.25, 1.22, 43.84 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.95: H VAL 26 + HB3 LEU 24 OK 88 100 - 88 - 6491/3.1=31, 6496/1.8=29...(15) HE ARG 57 + HB3 LEU 24 OK 57 96 - 60 - ~6469=11, 8551/3.1=9...(17) QE PHE 96 - HB3 LEU 24 OK 36 99 - 36 - 6472/1.8=4, 1440/4.6=4...(13) QD PHE 96 - HB3 LEU 24 OK 24 81 - 30 - 6471/3.0=4, 6472/1.8=4...(12) QD TYR 102 - HB3 LEU 24 poor 9 63 - 14 - ~4761=2, 2.2/4760=2...(4) HE ARG 71 - HB3 LEU 24 lone 5 100 - 5 - Peak 6474 from cnoeabs.peaks (7.28, 1.45, 26.50 ppm; 4.52 A): 2 out of 5 assignments used, quality = 0.96: HD1 TRP 20 + HG LEU 24 OK 92 100 - 93 - 4630/2.1=44, 2.6/8201=29...(12) HE ARG 57 + HG LEU 24 OK 45 87 - 52 - ~6469=12, 6475/2.1=10...(12) QD PHE 96 - HG LEU 24 OK 28 98 - 29 - 4710=5, 6475/2.1=5...(11) HZ PHE 40 - HG LEU 24 lone 9 96 - 10 - 6476/2.1=3, 6475/2.1=2 HE ARG 71 - HG LEU 24 lone 2 65 - 3 - Peak 6475 from cnoeabs.peaks (7.28, 0.66, 22.40 ppm; 3.99 A): 3 out of 6 assignments used, quality = 0.96: HD1 TRP 20 + QD2 LEU 24 OK 87 98 - 89 - 4630/2.1=37, 2.6/8202=32...(15) HE ARG 57 + QD2 LEU 24 OK 50 95 - 53 - 2.9/6469=15, 6474/2.1=7...(13) H VAL 26 + QD2 LEU 24 OK 38 65 - 58 - 6491/2.1=16, 6496/3.1=11...(12) QD PHE 96 - QD2 LEU 24 OK 24 100 - 24 - 6474/2.1=5, 6476/2.1=3...(10) HZ PHE 40 - QD2 LEU 24 lone 8 89 - 9 - 6476/2.1=2, 6474/2.1=2...(4) HE ARG 71 - QD2 LEU 24 lone 2 78 - 3 - Peak 6476 from cnoeabs.peaks (7.30, 0.06, 25.16 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.91: HD1 TRP 20 + QD1 LEU 24 OK 89 97 - 92 - 4630=46, 2.6/6387=37...(11) QD PHE 96 + QD1 LEU 24 OK 15 73 - 20 - 6474/2.1=4, 6475/2.1=3...(7) HZ PHE 40 + QD1 LEU 24 OK 11 100 - 11 - 6474/2.1=1, 5.8/6466=1...(4) Peak 6477 from cnoeabs.peaks (6.76, 0.66, 22.40 ppm; 5.04 A): 6 out of 7 assignments used, quality = 0.89: HH2 TRP 20 + QD2 LEU 24 OK 51 65 - 79 - ~4655=31, 5.0/8202=29...(12) H LEU 27 + QD2 LEU 24 OK 43 98 - 44 - 3.6/6468=13, 4.7/6475=6...(13) HZ PHE 107 + QD2 LEU 24 OK 34 96 - 36 - 7816=6, 4777/3.1=5...(11) HD22 ASN 99 + QD2 LEU 24 OK 16 100 - 16 - 1.7/5491=5, ~5488=3, 6479/5491=2 HE21 GLN 42 + QD2 LEU 24 OK 15 100 - 15 - 5.5/6786=2, 6791/2.1=1 H VAL 110 + QD2 LEU 24 OK 11 76 - 15 - 7884/3.1=3, 4.7/6478=2 QE TYR 67 - QD2 LEU 24 poor 9 78 - 11 - 8313/4.8=1 Peak 6478 from cnoeabs.peaks (7.72, 0.66, 22.40 ppm; 4.84 A): 2 out of 7 assignments used, quality = 0.72: H LEU 58 + QD2 LEU 24 OK 68 100 - 69 - 7053=13, 4.8/6365=11...(16) H LEU 111 + QD2 LEU 24 OK 11 71 - 15 - 3.8/2225=3, 1340/3.1=2...(5) H SER 90 - QD2 LEU 24 lone 10 100 - 9 - 438/2.1=1, 3.6/6468=1 H ASN 118 - QD2 LEU 24 lone 9 96 - 9 - 6975/6463=2, 3382/7064=1 H LEU 91 - QD2 LEU 24 poor 8 78 - 10 - 5.2/2224=2, 4.0/2226=1...(4) H LEU 126 - QD2 LEU 24 lone 6 100 - 6 - HE21 GLN 103 - QD2 LEU 24 lone 5 92 - 5 - Peak 6480 from cnoeabs.peaks (6.77, 3.94, 44.97 ppm; 4.84 A): 3 out of 21 assignments used, quality = 0.73: H LEU 27 + HA2 GLY 25 OK 56 93 - 60 - 1441/3.6=24, 6479/3.0=20...(7) HD22 ASN 99 + HA2 GLY 25 OK 30 98 - 31 - 6479/3.0=8, 1441/3.6=8...(6) HZ PHE 107 + HA2 GLY 25 OK 12 89 - 14 - 1441/3.6=5, 6479/3.0=5 HE21 GLN 42 - HA2 GLY 25 lone 8 99 - 8 - 1441/3.6=3, 6479/3.0=3 QE TYR 67 - HA2 GLY 25 lone 3 89 - 4 - H LEU 27 - HA3 GLY 125 lone 2 43 - 4 - 6541/3.0=1 H LEU 27 - HA2 GLY 125 lone 2 43 - 4 - 6541/3.0=1 H VAL 110 - HA2 GLY 25 lone 2 87 - 2 - HH2 TRP 20 - HA2 GLY 25 lone 2 78 - 2 - HD22 ASN 99 - HA3 GLY 125 lone 1 47 - 3 - HD22 ASN 99 - HA2 GLY 125 lone 1 47 - 3 - QE TYR 67 - HA3 GLY 125 lone 1 39 - 2 - QE TYR 67 - HA2 GLY 125 lone 1 39 - 2 - H VAL 110 - HA3 GLY 125 lone 1 38 - 2 - H VAL 110 - HA2 GLY 125 lone 1 38 - 2 - HE21 GLN 42 - HA3 GLY 125 lone 1 48 - 1 - HE21 GLN 42 - HA2 GLY 125 lone 1 48 - 1 - HZ PHE 107 - HA3 GLY 125 lone 1 39 - 2 - HZ PHE 107 - HA2 GLY 125 lone 1 39 - 2 - HH2 TRP 20 - HA3 GLY 125 lone 0 33 - 1 - HH2 TRP 20 - HA2 GLY 125 lone 0 33 - 1 - Peak 6484 from cnoeabs.peaks (1.58, 3.94, 44.97 ppm; 4.79 A): 2 out of 36 assignments used, quality = 0.46: HG2 ARG 57 + HA2 GLY 25 OK 39 100 - 40 - 8643/3.6=7, 3316/1.8=5...(12) HG12 ILE 63 + HA2 GLY 25 OK 12 85 - 14 - 2.1/6485=3, ~7128=2...(5) HG LEU 126 - HA2 GLY 125 poor 8 45 - 19 - 5403/3.6=16, ~643=2 HG LEU 126 - HA3 GLY 125 poor 8 45 - 19 - 5403/3.6=16, ~643=2 HB2 LEU 126 - HA3 GLY 125 poor 7 37 - 19 - 4.0/645=16, ~643=2 HB2 LEU 126 - HA2 GLY 125 poor 7 37 - 19 - 4.0/645=16, ~643=2 HB3 LEU 126 - HA2 GLY 125 poor 7 36 - 19 - 4.0/645=16, ~643=2 HB3 LEU 126 - HA3 GLY 125 poor 7 36 - 19 - 4.0/645=16, ~643=2 HG LEU 126 - HA2 GLY 25 lone 4 96 - 4 - 8643/3.6=1 HB2 LEU 126 - HA2 GLY 25 lone 3 85 - 3 - HB3 LEU 126 - HA2 GLY 25 lone 2 83 - 3 - HG2 ARG 57 - HA3 GLY 125 lone 2 50 - 5 - 5641/3.6=2 HG2 ARG 57 - HA2 GLY 125 lone 2 50 - 5 - 5641/3.6=2 HG12 ILE 63 - HA3 GLY 125 lone 2 37 - 7 - ~640=2 HG12 ILE 63 - HA2 GLY 125 lone 2 37 - 7 - ~640=2 HG3 ARG 81 - HA2 GLY 25 lone 2 100 - 2 - HG2 ARG 81 - HA2 GLY 25 lone 2 100 - 2 - HD2 LYS 119 - HA2 GLY 25 lone 2 95 - 2 - HD3 LYS 119 - HA2 GLY 25 lone 2 93 - 2 - HG2 ARG 53 - HA2 GLY 25 lone 1 65 - 2 - HD3 LYS 32 - HA2 GLY 25 lone 1 65 - 2 - ~86=1 HD2 LYS 32 - HA2 GLY 25 lone 1 65 - 2 - ~86=1 HG3 ARG 81 - HA2 GLY 125 lone 1 50 - 3 - HG2 ARG 81 - HA3 GLY 125 lone 1 50 - 3 - HG2 ARG 81 - HA2 GLY 125 lone 1 50 - 3 - HG3 ARG 81 - HA3 GLY 125 lone 1 50 - 3 - HD2 LYS 119 - HA3 GLY 125 lone 1 44 - 1 - HD2 LYS 119 - HA2 GLY 125 lone 1 44 - 1 - HD3 LYS 119 - HA3 GLY 125 lone 1 43 - 1 - HD3 LYS 119 - HA2 GLY 125 lone 1 43 - 1 - HG2 ARG 53 - HA2 GLY 125 lone 1 26 - 2 - HG2 ARG 53 - HA3 GLY 125 lone 1 26 - 2 - HD2 LYS 32 - HA3 GLY 125 lone 1 26 - 2 - HD2 LYS 32 - HA2 GLY 125 lone 1 26 - 2 - HD3 LYS 32 - HA3 GLY 125 lone 1 26 - 2 - HD3 LYS 32 - HA2 GLY 125 lone 1 26 - 2 - Peak 6485 from cnoeabs.peaks (0.95, 3.94, 44.97 ppm; 4.54 A): 6 out of 33 assignments used, quality = 0.80: QG2 ILE 124 + HA2 GLY 125 OK 37 49 - 76 - 5937/3.0=20, 8124=14...(16) QG2 ILE 124 + HA3 GLY 125 OK 37 49 - 76 - 5937/3.0=20, 8124=14...(16) QG2 ILE 22 + HA2 GLY 25 OK 21 63 - 34 - ~6421=9, 6427/3.0=9...(6) QD1 ILE 63 + HA2 GLY 25 OK 16 97 - 16 - 7152=3, 2.1/6484=3...(4) QD1 LEU 27 + HA2 GLY 25 OK 13 68 - 20 - 4.4/6480=10, ~6483=3...(4) QD2 LEU 27 + HA2 GLY 25 OK 12 60 - 20 - 4.4/6480=10, 6534/3.6=4...(4) QG2 ILE 124 - HA2 GLY 25 lone 7 99 - 7 - 8124=2 QD1 LEU 41 - HA2 GLY 25 lone 4 83 - 5 - QD1 ILE 63 - HA3 GLY 125 lone 4 45 - 8 - 640/3.0=3 QD1 ILE 63 - HA2 GLY 125 lone 4 45 - 8 - 640/3.0=3 QD1 LEU 55 - HA2 GLY 25 lone 3 89 - 4 - QD1 LEU 55 - HA2 GLY 125 lone 3 39 - 8 - 7019/3.6=2, 640/3.0=1, ~7005=1 QD1 LEU 55 - HA3 GLY 125 lone 3 39 - 8 - 7019/3.6=2, 640/3.0=1, ~7005=1 QD1 LEU 41 - HA3 GLY 125 lone 3 36 - 9 - ~643=2, 640/3.0=2, ~639=1 QD1 LEU 41 - HA2 GLY 125 lone 3 36 - 9 - ~643=2, 640/3.0=2, ~639=1 QG2 ILE 22 - HA3 GLY 125 poor 3 25 - 10 - 6434=1, 6434/1.8=1...(4) QG2 ILE 22 - HA2 GLY 125 poor 3 25 - 10 - 6434=1, 6434/1.8=1...(4) QG2 THR 95 - HA2 GLY 25 lone 2 76 - 3 - 7619/3.6=1 HG3 LYS 65 - HA3 GLY 125 lone 2 24 - 8 - 640/3.0=3, ~641=2, ~640=2 HG3 LYS 65 - HA2 GLY 125 lone 2 24 - 8 - 640/3.0=3, ~641=2, ~640=2 HG2 LYS 65 - HA3 GLY 125 lone 2 24 - 8 - 640/3.0=3, ~641=2, ~640=2 HG2 LYS 65 - HA2 GLY 125 lone 2 24 - 8 - 640/3.0=3, ~641=2, ~640=2 QG2 VAL 115 - HA2 GLY 25 lone 2 63 - 3 - HG2 LYS 65 - HA2 GLY 25 lone 1 60 - 2 - HG3 LYS 65 - HA2 GLY 25 lone 1 60 - 2 - QD1 LEU 27 - HA3 GLY 125 lone 1 28 - 3 - QD1 LEU 27 - HA2 GLY 125 lone 1 28 - 3 - QG2 THR 95 - HA2 GLY 125 lone 1 32 - 2 - QG2 THR 95 - HA3 GLY 125 lone 1 32 - 2 - QD2 LEU 27 - HA2 GLY 125 lone 1 24 - 2 - QD2 LEU 27 - HA3 GLY 125 lone 1 24 - 2 - QG2 VAL 115 - HA2 GLY 125 lone 0 25 - 1 - QG2 VAL 115 - HA3 GLY 125 lone 0 25 - 1 - Peak 6486 from cnoeabs.peaks (0.63, 3.94, 44.97 ppm; 4.80 A): 5 out of 15 assignments used, quality = 0.92: QG2 VAL 26 + HA2 GLY 25 OK 70 100 - 70 - 8228/3.0=19, 872/3.6=18...(12) QG1 VAL 26 + HA2 GLY 25 OK 62 89 - 70 - 873/3.6=19, 6488/3.0=15...(11) QD1 LEU 21 + HA2 GLY 25 OK 11 71 - 16 - 88/3.0=4, 872/3.6=4...(4) QD1 LEU 51 + HA2 GLY 25 OK 11 99 - 11 - 6941/3.6=4, 6488/3.0=2 QD1 LEU 45 + HA2 GLY 25 OK 10 90 - 11 - 6488/3.0=3, 6487/1.8=2...(4) QD1 LEU 45 - HA3 GLY 125 lone 2 40 - 4 - ~639=2, 2912/8109=1 QD1 LEU 45 - HA2 GLY 125 lone 2 40 - 4 - ~639=2, 2912/8109=1 QG2 VAL 26 - HA3 GLY 125 lone 2 50 - 3 - QG2 VAL 26 - HA2 GLY 125 lone 2 50 - 3 - QG1 VAL 26 - HA2 GLY 125 lone 1 39 - 3 - QG1 VAL 26 - HA3 GLY 125 lone 1 39 - 3 - QD1 LEU 21 - HA2 GLY 125 lone 1 29 - 4 - QD1 LEU 21 - HA3 GLY 125 lone 1 29 - 4 - QD1 LEU 51 - HA3 GLY 125 lone 1 48 - 1 - QD1 LEU 51 - HA2 GLY 125 lone 1 48 - 1 - Peak 6487 from cnoeabs.peaks (0.64, 4.11, 44.97 ppm; 4.87 A): 5 out of 6 assignments used, quality = 0.94: QG2 VAL 26 + HA3 GLY 25 OK 69 93 - 74 - 8228/3.0=18, 872/3.6=17...(13) QD2 LEU 24 + HA3 GLY 25 OK 48 73 - 66 - 88/3.0=14, ~85=10...(12) QG1 VAL 26 + HA3 GLY 25 OK 47 65 - 71 - 872/3.6=16, 6488/3.0=15...(12) QD1 LEU 21 + HA3 GLY 25 OK 17 92 - 19 - 88/3.0=7, 872/3.6=4...(4) QD1 LEU 45 + HA3 GLY 25 OK 12 99 - 12 - 88/3.0=3, 6486/1.8=2...(4) QD1 LEU 51 - HA3 GLY 25 poor 10 89 - 11 - 6941/3.6=3, 6486/1.8=2 Peak 6501 from cnoeabs.peaks (1.13, 2.19, 31.17 ppm; 4.26 A): 4 out of 15 assignments used, quality = 0.96: QG2 VAL 50 + HB VAL 49 OK 63 82 - 77 - 8493/2.1=21, 3062/4.4=20...(12) QG2 VAL 50 + HB VAL 26 OK 60 100 - 60 - 6923=15, 8227/2.1=12...(14) HB3 LEU 54 + HB VAL 26 OK 59 76 - 78 - 8227/2.1=15, ~8213=13...(15) QD2 LEU 117 + HB VAL 49 OK 40 82 - 49 - 8493/2.1=13, 6896/3.9=5...(19) QG2 VAL 120 - HB VAL 26 OK 23 97 - 23 - 8222/2.1=5, 8227/2.1=4...(8) QD2 LEU 117 - HB VAL 26 OK 22 100 - 23 - 8222/2.1=5, 8227/2.1=5...(6) QD2 LEU 117 - HB3 PRO 37 OK 22 82 - 26 - 5167/1.8=2, ~5146=2...(14) QG2 VAL 50 - HB3 PRO 37 OK 16 82 - 19 - 6923/2.3=3, 6923=3...(9) HB3 LEU 54 - HB VAL 49 OK 16 55 - 28 - 8493/2.1=6, 3.1/8480=4...(9) HB3 LEU 54 - HB3 PRO 37 poor 7 56 - 13 - 4.0/8389=3, 3.1/8480=2 QG2 VAL 120 - HB VAL 49 lone 6 77 - 7 - 8493/2.1=2, 997/4.4=1 QG2 THR 62 - HB VAL 49 lone 5 53 - 8 - 8493/2.1=2, 997/4.4=1, ~8496=1 QG2 THR 62 - HB VAL 26 lone 4 73 - 6 - 6970/6973=1, 8222/2.1=1 QG2 THR 62 - HB3 PRO 37 lone 4 54 - 7 - 7109/2.3=2, ~7108=1 QG2 VAL 120 - HB3 PRO 37 lone 3 77 - 4 - Peak 6502 from cnoeabs.peaks (2.06, 0.63, 20.28 ppm; 4.58 A): 3 out of 16 assignments used, quality = 0.98: HB2 ARG 57 + QG2 VAL 26 OK 90 99 - 91 - 1.8/7036=15, 3.5/7043=14...(30) HG LEU 21 + QG2 VAL 26 OK 61 87 - 71 - 2.1/8213=19, 4.7/8230=17...(16) HG3 PRO 37 + QG2 VAL 26 OK 49 92 - 53 - 1.8/2254=9, 2.3/2254=7...(20) HB2 GLN 16 - QG2 VAL 26 OK 36 93 - 39 - ~8182=6, 3.0/8239=5...(12) HB3 GLN 16 - QG2 VAL 26 OK 35 92 - 39 - ~8182=6, 3.0/8239=5...(12) HB3 GLU 38 - QG2 VAL 26 OK 30 100 - 30 - 3.0/6510=6, 7034=4...(8) HB2 GLU 56 - QG2 VAL 26 OK 20 71 - 28 - 4.6/7032=9, 3.0/8239=4...(8) HB3 ARG 81 - QG2 VAL 26 OK 19 95 - 21 - 1.8/8211=3, ~8220=2...(7) HB ILE 63 - QG2 VAL 26 OK 19 100 - 19 - ~8218=1, ~8220=1...(4) HG3 PRO 60 - QG2 VAL 26 OK 18 85 - 21 - 2.3/8239=4, ~8238=2...(6) HB2 GLN 105 - QG2 VAL 26 poor 10 96 - 10 - 4.0/8229=1 HB2 LEU 114 - QG2 VAL 26 lone 8 89 - 9 - 6990/8213=1 HB2 GLU 15 - QG2 VAL 26 lone 5 78 - 7 - HG2 GLU 64 - QG2 VAL 26 lone 4 99 - 4 - HG3 PRO 70 - QG2 VAL 26 lone 4 73 - 5 - HG3 GLU 69 - QG2 VAL 26 lone 3 68 - 5 - Peak 6503 from cnoeabs.peaks (1.47, 0.63, 20.28 ppm; 4.56 A): 2 out of 17 assignments used, quality = 0.97: HG3 ARG 57 + QG2 VAL 26 OK 90 100 - 90 - 7039=16, 2.9/7043=15...(27) HG LEU 24 + QG2 VAL 26 OK 67 78 - 86 - 2.1/8214=43, ~8224=23...(17) HB3 LEU 58 - QG2 VAL 26 OK 37 92 - 41 - 8435/8214=8, 3.0/8506=8...(9) HB3 LEU 45 - QG2 VAL 26 OK 25 78 - 32 - 1.8/2890=3, ~8219=3...(14) QB ALA 14 - QG2 VAL 26 OK 18 99 - 18 - 8221/2.1=2, ~5439=2...(5) HD2 LYS 46 - QG2 VAL 26 OK 11 93 - 11 - 5.7/196=1, 8221/2.1=1 HG2 LYS 119 - QG2 VAL 26 OK 11 96 - 11 - 8221/2.1=1 HB2 LEU 93 - QG2 VAL 26 lone 10 99 - 10 - 8221/2.1=1 HB3 GLU 75 - QG2 VAL 26 lone 8 78 - 10 - 6987/8213=1 HG3 LYS 31 - QG2 VAL 26 lone 7 98 - 7 - HG LEU 91 - QG2 VAL 26 lone 7 89 - 8 - HG LEU 93 - QG2 VAL 26 lone 6 83 - 7 - HG2 LYS 109 - QG2 VAL 26 lone 6 99 - 6 - HG2 ARG 85 - QG2 VAL 26 lone 4 68 - 6 - HB3 LEU 114 - QG2 VAL 26 lone 3 63 - 5 - HD2 LYS 65 - QG2 VAL 26 lone 3 60 - 4 - HD3 LYS 65 - QG2 VAL 26 lone 3 60 - 4 - Peak 6504 from cnoeabs.peaks (4.12, 0.61, 21.38 ppm; 4.17 A): 3 out of 10 assignments used, quality = 0.96: HA ARG 57 + QG1 VAL 26 OK 75 100 - 75 - 7035=13, 3.0/7032=11...(20) HA3 GLY 25 + QG1 VAL 26 OK 63 100 - 63 - 3.6/873=18, 3.0/8233=11...(10) HA LEU 24 + QG1 VAL 26 OK 60 83 - 73 - 4.0/8224=21, 3.0/8614=13...(15) HA PRO 37 - QG1 VAL 26 OK 30 71 - 43 - 2.3/2259=7, 3.8/2259=6...(15) HA ILE 63 - QG1 VAL 26 OK 11 83 - 14 - 3.7/8218=2, 3.7/8220=2, ~5944=1 HA ALA 98 - QG1 VAL 26 lone 8 85 - 9 - 7671/7403=1, 7657/4.0=1 HB3 SER 78 - QG1 VAL 26 lone 5 98 - 5 - HA ILE 124 - QG1 VAL 26 lone 4 76 - 6 - HA ASN 108 - QG1 VAL 26 lone 3 71 - 5 - HB3 SER 72 - QG1 VAL 26 lone 2 81 - 2 - Peak 6505 from cnoeabs.peaks (3.89, 0.61, 21.38 ppm; 4.46 A): 4 out of 13 assignments used, quality = 0.92: HA ARG 53 + QG1 VAL 26 OK 84 100 - 85 - 3.6/8236=20, 3.0/6964=17...(25) HB2 SER 13 + QG1 VAL 26 OK 24 78 - 30 - 1.8/6506=5, 3.0/2258=4...(11) HB3 ASN 79 + QG1 VAL 26 OK 22 98 - 22 - 4.5/7405=5, 3.5/8234=4...(7) HB THR 95 + QG1 VAL 26 OK 12 100 - 12 - 7618/4.0=2, 7618/4725=1 HA ILE 34 - QG1 VAL 26 lone 8 97 - 8 - ~6681=2, 6516/4.1=1, ~6637=1 HB THR 62 - QG1 VAL 26 lone 7 78 - 9 - 6516/4.1=1, 2.1/8222=1 HB2 SER 112 - QG1 VAL 26 lone 7 100 - 7 - HB3 SER 112 - QG1 VAL 26 lone 7 100 - 7 - HD2 PRO 68 - QG1 VAL 26 lone 4 83 - 5 - HD3 PRO 68 - QG1 VAL 26 lone 4 78 - 5 - HA2 GLY 2 - QG1 VAL 26 lone 3 97 - 3 - HA3 GLY 2 - QG1 VAL 26 lone 3 97 - 3 - HA ALA 43 - QG1 VAL 26 lone 2 63 - 3 - Peak 6506 from cnoeabs.peaks (3.74, 0.61, 21.38 ppm; 3.61 A): 4 out of 9 assignments used, quality = 0.91: HA LEU 54 + QG1 VAL 26 OK 80 100 - 80 - 6995=20, 6995/2.1=16...(23) HA GLU 38 + QG1 VAL 26 OK 26 95 - 28 - 6510/2.1=5, 6722/4.1=3...(8) HA GLU 73 + QG1 VAL 26 OK 24 100 - 24 - 3908/2.1=5, 6510/2.1=5...(7) HB3 SER 13 + QG1 VAL 26 OK 19 85 - 22 - 6510/2.1=3, 1.8/6505=3...(11) HA CYS 87 - QG1 VAL 26 lone 6 96 - 6 - 6510/2.1=1 HA3 GLY 86 - QG1 VAL 26 lone 6 73 - 8 - ~8215=1, 3.0/8235=1, 6510/2.1=1 HD2 PRO 30 - QG1 VAL 26 lone 4 81 - 5 - HB3 SER 90 - QG1 VAL 26 lone 3 96 - 3 - HB3 SER 35 - QG1 VAL 26 lone 3 95 - 3 - Peak 6507 from cnoeabs.peaks (3.12, 0.61, 21.38 ppm; 4.39 A): 2 out of 10 assignments used, quality = 0.95: HD3 ARG 57 + QG1 VAL 26 OK 89 100 - 89 - 7043=23, 7043/2.1=17...(28) HD3 ARG 53 + QG1 VAL 26 OK 52 63 - 83 - 1.8/6969=17, 6972=16...(17) HB3 CYS 52 - QG1 VAL 26 OK 32 99 - 33 - 4.4/6963=11, 4.0/230=6...(7) HD3 ARG 81 - QG1 VAL 26 OK 26 99 - 26 - 3.0/8220=3, 3.0/8220=3...(9) HB2 PHE 107 - QG1 VAL 26 OK 23 96 - 24 - 4.0/8236=7, ~4810=5...(5) HB3 CYS 76 - QG1 VAL 26 lone 7 98 - 7 - HB3 ASP 100 - QG1 VAL 26 lone 6 99 - 6 - HD2 ARG 92 - QG1 VAL 26 lone 3 71 - 4 - HD3 ARG 92 - QG1 VAL 26 lone 3 68 - 4 - HB2 HIS 10 - QG1 VAL 26 lone 1 60 - 2 - Peak 6508 from cnoeabs.peaks (3.36, 0.61, 21.38 ppm; 4.58 A): 4 out of 5 assignments used, quality = 0.88: HA LEU 21 + QG1 VAL 26 OK 66 89 - 74 - 8215/2.1=17, ~8230=16...(22) HA VAL 50 + QG1 VAL 26 OK 51 71 - 72 - 8215/2.1=14, 3.2/8222=10...(24) HD3 PRO 60 + QG1 VAL 26 OK 14 76 - 19 - 2.3/8217=3, 3.0/8238=3...(5) HB3 PHE 40 + QG1 VAL 26 OK 13 97 - 14 - 4.7/8235=4, 6497/4.0=1 HD3 ARG 85 - QG1 VAL 26 lone 3 63 - 4 - Peak 6509 from cnoeabs.peaks (4.10, 0.63, 20.28 ppm; 4.81 A): 3 out of 7 assignments used, quality = 0.99: HA LEU 24 + QG2 VAL 26 OK 84 100 - 84 - 4.0/8214=33, 3.0/8216=22...(15) HA ARG 57 + QG2 VAL 26 OK 78 90 - 86 - 7035=16, 3.0/7032=14...(23) HA3 GLY 25 + QG2 VAL 26 OK 68 90 - 75 - 3.0/8228=19, 3.6/873=19...(13) HA VAL 120 - QG2 VAL 26 OK 26 93 - 28 - 3.2/8212=5, 3.2/8227=4...(8) HA LYS 31 - QG2 VAL 26 lone 7 93 - 8 - HB3 SER 78 - QG2 VAL 26 lone 6 60 - 9 - 4.5/8228=2, 3.9/8229=2, 92/4.0=1 HA SER 44 - QG2 VAL 26 lone 4 60 - 6 - 3.6/8228=3 Peak 6510 from cnoeabs.peaks (3.74, 0.63, 20.28 ppm; 3.91 A): 4 out of 9 assignments used, quality = 0.94: HA LEU 54 + QG2 VAL 26 OK 85 100 - 85 - 6995=21, 6506/2.1=18...(22) HA GLU 38 + QG2 VAL 26 OK 31 95 - 33 - 6506/2.1=6, 6722/4.1=4...(12) HA GLU 73 + QG2 VAL 26 OK 29 100 - 29 - 3908/2.1=5, 6506/2.1=5...(10) HB3 SER 13 + QG2 VAL 26 OK 22 85 - 25 - 6506/2.1=4, 3.0/2253=3...(12) HA3 GLY 86 - QG2 VAL 26 poor 8 73 - 10 - 1.8/8215=3, 6506/2.1=1, ~8235=1 HA CYS 87 - QG2 VAL 26 lone 7 96 - 7 - 6506/2.1=1 HD2 PRO 30 - QG2 VAL 26 lone 5 81 - 6 - HB3 SER 90 - QG2 VAL 26 lone 4 96 - 4 - HB3 SER 35 - QG2 VAL 26 lone 3 95 - 3 - Peak 6511 from cnoeabs.peaks (0.23, 0.57, 21.11 ppm; 3.32 A): 3 out of 4 assignments used, quality = 0.69: QD2 LEU 21 + QG1 VAL 50 OK 40 99 - 40 - 6412/2.1=9, 2134/3.2=8...(13) QD1 LEU 54 + QG1 VAL 50 OK 35 95 - 37 - 6991/3.2=6, 3208/2.1=6...(11) QD2 LEU 21 + QD2 LEU 45 OK 20 76 - 27 - 2138/2.1=4, ~2904=2...(12) QD1 LEU 54 - QD2 LEU 45 poor 10 69 - 14 - 6984/2.1=2, 4.8/8237=2 Peak 6517 from cnoeabs.peaks (0.61, 1.40, 47.11 ppm; 4.35 A): 3 out of 3 assignments used, quality = 0.92: QG1 VAL 26 + HB2 LEU 27 OK 61 100 - 61 - 97/4.0=15, 6518/1.8=15...(12) QG2 VAL 26 + HB2 LEU 27 OK 57 97 - 58 - 5497/4.0=14, 6518/1.8=14...(10) QD1 LEU 51 + HB2 LEU 27 OK 53 99 - 53 - 6518/1.8=12, ~6930=7...(21) Peak 6518 from cnoeabs.peaks (0.61, 1.01, 47.11 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.92: QG1 VAL 26 + HB3 LEU 27 OK 63 100 - 63 - 97/4.0=14, 6517/1.8=13...(15) QG2 VAL 26 + HB3 LEU 27 OK 59 97 - 61 - 5497/4.0=13, 6517/1.8=12...(13) QD1 LEU 51 + HB3 LEU 27 OK 50 99 - 51 - 6517/1.8=11, 2.1/6930=8...(20) Peak 6519 from cnoeabs.peaks (1.91, 1.01, 47.11 ppm; 4.45 A): 3 out of 15 assignments used, quality = 0.96: HB ILE 22 + HB3 LEU 27 OK 84 100 - 84 - 2.9/8477=14, ~6431=8...(32) HB2 LEU 21 + HB3 LEU 27 OK 58 85 - 68 - 3.1/8240=16, ~6405=13...(16) HB VAL 50 + HB3 LEU 27 OK 44 78 - 56 - 2.1/8241=11, ~6924=8...(15) HG LEU 58 - HB3 LEU 27 OK 41 71 - 59 - ~7062=7, ~2272=6...(23) HB2 GLU 28 - HB3 LEU 27 OK 40 100 - 40 - 2310/4.3=18, 6564/3.1=6...(8) HB ILE 80 - HB3 LEU 27 OK 31 92 - 34 - 3.0/7422=4, 3.0/8347=4...(12) HG LEU 55 - HB3 LEU 27 OK 26 76 - 34 - 4.3/8292=4, 2.1/8481=4...(14) HB3 GLU 73 - HB3 LEU 27 OK 21 100 - 21 - 2.9/8484=3, 2.9/8484=3...(10) HB2 LEU 84 - HB3 LEU 27 OK 20 100 - 20 - 4239/4.3=4, 4.0/5501=2...(7) HG LEU 84 - HB3 LEU 27 OK 15 85 - 18 - 4253/4.3=4, 5.2/5501=2...(5) HB2 LYS 119 - HB3 LEU 27 OK 13 78 - 17 - 8031=2, 4.0/8028=2...(5) HB2 ARG 81 - HB3 LEU 27 OK 11 100 - 11 - ~7435=1, 8536/1.8=1...(4) HB3 LYS 31 - HB3 LEU 27 OK 11 78 - 14 - 2415/4.3=2, 4.0/5501=1...(4) HB3 GLU 64 - HB3 LEU 27 lone 4 63 - 6 - HB3 MET 11 - HB3 LEU 27 lone 4 98 - 4 - Peak 6520 from cnoeabs.peaks (1.90, 1.40, 47.11 ppm; 4.46 A): 3 out of 17 assignments used, quality = 0.95: HB ILE 22 + HB2 LEU 27 OK 81 96 - 84 - 3.0/6431=12, ~8477=10...(32) HB VAL 50 + HB2 LEU 27 OK 57 96 - 60 - 2.1/8242=10, ~6924=9...(17) HB2 LEU 21 + HB2 LEU 27 OK 43 60 - 71 - 1.8/6405=18, ~8240=12...(19) HB2 LEU 58 - HB2 LEU 27 OK 40 71 - 57 - 3.1/7062=8, 8304=7...(25) HB2 GLU 28 - HB2 LEU 27 OK 39 99 - 39 - 2310/4.3=18, 6564/3.1=6...(7) HG LEU 55 - HB2 LEU 27 OK 32 95 - 34 - 2.1/8482=4, 4.3/7011=3...(13) HB ILE 80 - HB2 LEU 27 OK 22 71 - 31 - ~7401=4, ~7422=3...(13) HB3 GLU 73 - HB2 LEU 27 OK 19 93 - 21 - 2.9/8483=3, 2.9/8483=3...(10) HB2 LEU 84 - HB2 LEU 27 OK 19 99 - 19 - 4239/4.3=4, 4.0/5500=2...(7) HB3 GLU 28 - HB2 LEU 27 OK 18 65 - 28 - 3.8/100=13, ~6564=4...(7) HG LEU 84 - HB2 LEU 27 OK 18 98 - 18 - 4253/4.3=4, 5.2/5500=2...(7) HB2 LYS 119 - HB2 LEU 27 OK 15 96 - 16 - 8031/1.8=3, 3.0/6272=2 HB3 LYS 31 - HB2 LEU 27 OK 15 96 - 16 - 2415/4.3=3, 4.0/5500=2...(4) HB2 ARG 81 - HB2 LEU 27 lone 9 97 - 10 - 883/4.3=1, 3.0/7435=1 HB2 ARG 92 - HB2 LEU 27 lone 5 81 - 7 - 4.2/1233=2 HG3 PRO 68 - HB2 LEU 27 lone 4 65 - 6 - 884/4.3=2 HB3 MET 11 - HB2 LEU 27 lone 3 85 - 3 - Peak 6521 from cnoeabs.peaks (4.22, 1.40, 47.11 ppm; 4.71 A): 2 out of 9 assignments used, quality = 0.97: HA ILE 22 + HB2 LEU 27 OK 86 100 - 86 - 6423/4.0=23, 6431=19...(26) HA VAL 26 + HB2 LEU 27 OK 77 100 - 77 - 3.6/876=17, 3.2/6517=12...(19) HA SER 13 - HB2 LEU 27 OK 33 100 - 33 - 6522/1.8=5, 5495/4.0=4...(14) HA CYS 52 - HB2 LEU 27 OK 24 100 - 24 - 6522/1.8=3, 6947/3.1=3...(8) HA THR 17 - HB2 LEU 27 OK 21 89 - 24 - 6522/1.8=3, 6332/3.1=3...(10) HA VAL 66 - HB2 LEU 27 OK 17 100 - 17 - 7176/3.0=3, 6522/1.8=2...(4) HA LEU 126 - HB2 LEU 27 lone 10 98 - 10 - 6522/1.8=1 HA ALA 89 - HB2 LEU 27 lone 2 71 - 3 - HA3 GLY 61 - HB2 LEU 27 lone 2 73 - 2 - Peak 6522 from cnoeabs.peaks (4.22, 1.01, 47.11 ppm; 4.93 A): 2 out of 9 assignments used, quality = 0.97: HA ILE 22 + HB3 LEU 27 OK 86 100 - 86 - 6423/4.0=25, 6431/1.8=17...(27) HA VAL 26 + HB3 LEU 27 OK 77 100 - 77 - 94/4.0=17, 3.2/6518=14...(18) HA SER 13 - HB3 LEU 27 OK 35 100 - 35 - 6521/1.8=5, 5495/4.0=4...(14) HA CYS 52 - HB3 LEU 27 OK 26 100 - 26 - 6521/1.8=4, 6947/3.1=3...(10) HA THR 17 - HB3 LEU 27 OK 25 89 - 28 - 6521/1.8=3, 6332/3.1=3...(13) HA VAL 66 - HB3 LEU 27 OK 18 100 - 18 - 7176/3.0=3, 6521/1.8=3...(4) HA LEU 126 - HB3 LEU 27 lone 10 98 - 10 - 6521/1.8=2, 5387/3.1=1 HA ALA 89 - HB3 LEU 27 lone 3 71 - 4 - HA3 GLY 61 - HB3 LEU 27 lone 2 73 - 2 - Peak 6523 from cnoeabs.peaks (4.22, 4.54, 52.61 ppm; 4.42 A): 2 out of 11 assignments used, quality = 0.93: HA VAL 26 + HA LEU 27 OK 77 100 - 77 - 94/3.0=18, ~1441=12...(19) HA ILE 22 + HA LEU 27 OK 68 99 - 69 - 6423/3.0=26, 6431/3.0=12...(19) HA SER 13 - HA LEU 27 OK 24 99 - 24 - 5495/3.0=4, 6521/3.0=3...(10) HA CYS 52 - HA LEU 27 OK 16 100 - 16 - 6521/3.0=3, 94/3.0=3...(6) HA VAL 66 - HA LEU 27 OK 13 99 - 13 - 7176=3, 3.2/7195=2...(5) HA THR 17 - HA LEU 27 OK 12 96 - 13 - 6522/3.0=2, 6332/4.0=2...(5) HA LEU 126 - HA LEU 27 lone 6 93 - 6 - 6521/3.0=1 HB THR 19 - HA LEU 27 lone 4 68 - 6 - 2.1/8421=4 HA3 GLY 48 - HA LEU 27 lone 3 71 - 5 - ~6879=2 HA ALA 89 - HA LEU 27 lone 2 83 - 2 - HA3 GLY 61 - HA LEU 27 lone 1 60 - 2 - Peak 6524 from cnoeabs.peaks (1.83, 0.92, 25.98 ppm; 3.77 A): 3 out of 12 assignments used, quality = 0.92: HG LEU 41 + QD2 LEU 27 OK 67 100 - 67 - 8485/2.1=8, 2804=7...(32) HG12 ILE 22 + QD2 LEU 27 OK 64 89 - 73 - 8477/3.1=8, 2164=8...(28) HG13 ILE 63 + QD2 LEU 27 OK 29 97 - 29 - 3532=3, 3532/2.1=3...(13) HG2 GLU 73 - QD2 LEU 27 OK 18 99 - 19 - 8485/2.1=3, 8483/3.1=2...(8) HG3 GLU 73 - QD2 LEU 27 OK 18 98 - 19 - 8485/2.1=3, 8483/3.1=2...(8) HB2 GLU 69 - QD2 LEU 27 OK 14 100 - 14 - 4.8/6532=4, 3.6/7240=2...(4) HG3 ARG 53 - QD2 LEU 27 OK 10 100 - 11 - 8485/2.1=1 HB3 ARG 57 - QD2 LEU 27 lone 6 87 - 7 - HB3 ARG 92 - QD2 LEU 27 lone 5 73 - 6 - 4.2/6533=3 HG2 GLU 75 - QD2 LEU 27 lone 3 89 - 4 - HB3 GLN 105 - QD2 LEU 27 lone 3 96 - 3 - HB2 PRO 60 - QD2 LEU 27 lone 2 65 - 3 - Peak 6525 from cnoeabs.peaks (1.92, 0.92, 25.98 ppm; 3.78 A): 3 out of 16 assignments used, quality = 0.96: HB ILE 22 + QD2 LEU 27 OK 77 99 - 78 - 3.9/6537=9, 2150=8...(37) HB2 LEU 21 + QD2 LEU 27 OK 73 98 - 74 - 3.1/6527=13, 3.1/6529=13...(23) HG LEU 58 + QD2 LEU 27 OK 40 92 - 43 - 2.1/2300=7, 2.1/2300=6...(15) HB2 GLU 28 - QD2 LEU 27 OK 37 95 - 39 - 2310/4.8=11, 6564=7...(12) HB ILE 80 - QD2 LEU 27 OK 23 100 - 23 - 8486/2.1=2, 7425/3.1=2...(8) HB3 GLU 73 - QD2 LEU 27 OK 16 99 - 16 - 2.9/6524=2, 2.9/6524=2...(6) HB2 LEU 84 - QD2 LEU 27 OK 16 93 - 17 - 4239/4.8=2, 4.0/5504=2...(4) HB2 GLU 38 - QD2 LEU 27 OK 12 73 - 17 - 3.0/6708=3, ~6007=2...(6) HB2 ARG 81 - QD2 LEU 27 OK 10 98 - 10 - 4.3/7457=2 HB3 GLU 69 - QD2 LEU 27 poor 10 68 - 14 - 4.8/6532=4, 1.8/6524=2...(4) HB3 GLU 64 - QD2 LEU 27 lone 8 87 - 9 - 4.6/6534=1, 4.0/298=1 HB2 GLU 64 - QD2 LEU 27 lone 7 83 - 8 - 4.6/6534=1, 4.0/298=1 HG LEU 84 - QD2 LEU 27 poor 7 60 - 12 - 4253/4.8=2, 5.2/5504=1 HB3 LYS 119 - QD2 LEU 27 lone 6 68 - 8 - ~8031=1 HB3 MET 11 - QD2 LEU 27 lone 4 100 - 4 - HB2 LYS 109 - QD2 LEU 27 lone 3 83 - 3 - Peak 6526 from cnoeabs.peaks (1.14, 0.92, 25.98 ppm; 3.75 A): 4 out of 5 assignments used, quality = 0.86: QG2 VAL 50 + QD2 LEU 27 OK 56 100 - 56 - 2.1/6528=10, 6924/4.0=8...(18) QD2 LEU 117 + QD2 LEU 27 OK 43 100 - 43 - 5170=4, 6543/4.8=4...(16) QG2 VAL 120 + QD2 LEU 27 OK 31 92 - 34 - 3.9/8075=4, 8067/4.0=4...(14) HB3 LEU 54 + QD2 LEU 27 OK 18 87 - 21 - 3.1/6529=7, ~8240=3...(7) QG2 THR 62 - QD2 LEU 27 poor 8 60 - 13 - 4.0/6537=3, 2.1/7103=1...(4) Peak 6527 from cnoeabs.peaks (0.65, 0.92, 25.98 ppm; 3.51 A): 4 out of 4 assignments used, quality = 0.90: QD1 LEU 21 + QD2 LEU 27 OK 71 100 - 71 - 2.1/6529=13, 6414=11...(22) QD1 LEU 45 + QD2 LEU 27 OK 43 98 - 44 - 2.1/6528=8, 6561/2.1=6...(15) QG2 VAL 26 + QD2 LEU 27 OK 22 60 - 37 - 5497/4.4=5, ~6518=4...(14) QD2 LEU 24 + QD2 LEU 27 OK 22 98 - 23 - 6477/4.4=3, 6561/2.1=3...(6) Peak 6528 from cnoeabs.peaks (0.56, 0.92, 25.98 ppm; 3.89 A): 4 out of 4 assignments used, quality = 0.93: QG1 VAL 50 + QD2 LEU 27 OK 58 99 - 59 - 2.1/6526=13, 6560/2.1=9...(16) QD2 LEU 45 + QD2 LEU 27 OK 55 99 - 55 - 2.1/6527=11, 6560/2.1=9...(17) HG12 ILE 34 + QD2 LEU 27 OK 43 97 - 44 - 6560/2.1=8, 6531/2.1=6...(14) QD2 LEU 77 + QD2 LEU 27 OK 37 96 - 39 - 6560/2.1=6, 7345/3.1=6...(12) Peak 6529 from cnoeabs.peaks (0.22, 0.92, 25.98 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 21 + QD2 LEU 27 OK 85 97 - 88 - 2.1/6527=21, 8240/3.1=18...(28) QD1 LEU 54 + QD2 LEU 27 OK 49 99 - 50 - 8240/3.1=10, 6513/4.4=9...(16) Peak 6530 from cnoeabs.peaks (0.20, 0.93, 24.23 ppm; 4.45 A): 3 out of 6 assignments used, quality = 0.72: QD1 ILE 34 + QD1 LEU 27 OK 39 73 - 53 - ~6560=7, 2.1/6531=7...(18) QD1 LEU 54 + QD1 LEU 117 OK 35 55 - 63 - 8013/2.1=30, ~8012=11...(12) QD1 LEU 54 + QD1 LEU 27 OK 30 96 - 32 - 6529/2.1=8, 6986/3.1=5...(5) QD1 ILE 34 - QD1 LEU 41 poor 9 44 - 21 - 2624/3.1=2, 2.1/6531=1...(10) QD1 LEU 54 - QD1 LEU 41 poor 7 63 - 11 - 6985/2.1=3 QD1 ILE 34 - QD1 LEU 117 poor 6 38 - 15 - 8013/2.1=3, 6649/2.1=2, ~6653=1 Peak 6531 from cnoeabs.peaks (0.56, 0.93, 24.23 ppm; 3.18 A): 7 out of 12 assignments used, quality = 0.90: QG1 VAL 50 + QD1 LEU 27 OK 43 100 - 43 - 6528/2.1=7, 6920=7...(12) QD2 LEU 45 + QD1 LEU 27 OK 37 97 - 38 - 6528/2.1=7, 6560/2.1=6...(13) HG12 ILE 34 + QD1 LEU 27 OK 29 92 - 32 - 6560/2.1=5, 2.1/6530=5...(11) QD2 LEU 45 + QD1 LEU 41 OK 27 64 - 43 - ~6754=7, ~8269=5, 6920=4...(15) QD2 LEU 77 + QD1 LEU 27 OK 26 99 - 26 - 6528/2.1=4, 7345/3.1=4...(7) QG1 VAL 50 + QD1 LEU 117 OK 15 62 - 24 - 3061/2.1=4, 6920=3...(11) QD2 LEU 77 + QD1 LEU 41 OK 12 67 - 17 - 7346/2.1=3, ~6751=2...(8) HG12 ILE 34 - QD1 LEU 41 poor 6 59 - 10 - 2.1/6530=1, 2610/3.1=1 QG1 VAL 50 - QD1 LEU 41 lone 5 70 - 8 - 6920=1 QD2 LEU 45 - QD1 LEU 117 lone 4 56 - 7 - HG12 ILE 34 - QD1 LEU 117 lone 3 52 - 7 - QD2 LEU 77 - QD1 LEU 117 lone 2 60 - 3 - Peak 6532 from cnoeabs.peaks (3.47, 0.92, 25.98 ppm; 3.98 A): 4 out of 4 assignments used, quality = 0.73: HA VAL 18 + QD2 LEU 27 OK 47 96 - 49 - 6358=7, 3.2/8397=5...(20) HD3 PRO 70 + QD2 LEU 27 OK 26 99 - 26 - 7263=5, 1.8/7262=4...(9) HB2 SER 44 + QD2 LEU 27 OK 24 97 - 25 - 6829=6, 1.8/6831=4...(8) HB3 SER 44 + QD2 LEU 27 OK 12 57 - 21 - 1.8/6829=5, 6831=3...(7) Peak 6533 from cnoeabs.peaks (7.11, 0.92, 25.98 ppm; 4.55 A): 3 out of 5 assignments used, quality = 0.82: QD PHE 40 + QD2 LEU 27 OK 71 97 - 73 - 3.8/6535=19, 2.2/6534=19...(18) QD PHE 83 + QD2 LEU 27 OK 22 100 - 23 - 3.7/8355=4, 8409/2.1=4...(6) H LEU 93 + QD2 LEU 27 OK 20 87 - 23 - 1233/3.1=3, 3.8/2299=3...(9) HE ARG 92 - QD2 LEU 27 lone 6 100 - 6 - HE ARG 53 - QD2 LEU 27 lone 6 65 - 9 - 4.0/6524=1, 8409/2.1=1 Peak 6534 from cnoeabs.peaks (7.22, 0.92, 25.98 ppm; 3.84 A): 5 out of 6 assignments used, quality = 0.88: QE PHE 40 + QD2 LEU 27 OK 68 100 - 68 - 2.2/6535=19, 2.2/6533=15...(16) QD TYR 102 + QD2 LEU 27 OK 28 100 - 28 - 4744/3.1=5, 6539/4.0=5...(8) H VAL 26 + QD2 LEU 27 OK 28 63 - 45 - 1441/4.4=9, 6539/4.0=6...(14) QE PHE 96 + QD2 LEU 27 OK 14 73 - 19 - 6539/4.0=3, ~4729=3...(8) H LYS 65 + QD2 LEU 27 OK 13 99 - 13 - 8410/2.1=2, 6539/4.0=1 QD TYR 67 - QD2 LEU 27 lone 6 81 - 7 - Peak 6535 from cnoeabs.peaks (7.32, 0.92, 25.98 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.63: HZ PHE 40 + QD2 LEU 27 OK 49 78 - 62 - 2.2/6534=17, 8411/2.1=16...(13) HZ2 TRP 20 + QD2 LEU 27 OK 27 92 - 29 - 8411/2.1=4, 4650/3.1=4...(12) Peak 6537 from cnoeabs.peaks (8.31, 0.92, 25.98 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.88: H ILE 22 + QD2 LEU 27 OK 77 93 - 83 - 6541/4.4=17, 5.0/6529=15...(22) H CYS 87 + QD2 LEU 27 OK 34 97 - 35 - 6541/4.4=5, 7527/2.1=4...(12) H THR 62 + QD2 LEU 27 OK 24 96 - 25 - 6541/4.4=3, 7095/2.1=3...(9) H GLY 125 - QD2 LEU 27 lone 6 99 - 6 - 6541/4.4=1 Peak 6538 from cnoeabs.peaks (8.29, 0.93, 24.23 ppm; 4.64 A): 5 out of 12 assignments used, quality = 0.89: H ILE 22 + QD1 LEU 27 OK 72 97 - 74 - 6541/4.4=13, 6429/3.1=10...(20) H CYS 87 + QD1 LEU 27 OK 28 93 - 31 - 6537/2.1=4, 7527=4...(8) H ILE 22 + QD1 LEU 41 OK 22 64 - 35 - 852/2.1=4, 851=3...(16) H TRP 20 + QD1 LEU 27 OK 16 95 - 17 - 4.7/6400=4, 4.2/6375=2 H CYS 87 + QD1 LEU 41 OK 16 60 - 27 - 7527=3, 426/4.3=3...(8) H ILE 22 - QD1 LEU 117 poor 9 56 - 15 - 5.0/6414=1, 5.0/6410=1...(5) H GLU 69 - QD1 LEU 27 poor 8 63 - 12 - 7240/2.1=2, 4.8/7263=2...(4) H TRP 20 - QD1 LEU 41 poor 7 61 - 12 - 4.7/6400=2, 1554/6354=2 H GLU 69 - QD1 LEU 41 poor 6 37 - 16 - 4.8/7262=3, 7240=3...(5) H GLU 69 - QD1 LEU 117 poor 5 32 - 17 - 4.8/7262=3, 4.8/7263=3...(5) H CYS 87 - QD1 LEU 117 lone 4 53 - 8 - 7526/2.1=3 H TRP 20 - QD1 LEU 117 lone 4 54 - 7 - 8.8/8411=1, 5.6/8411=1 Peak 6539 from cnoeabs.peaks (7.23, 4.54, 52.61 ppm; 4.26 A): 4 out of 6 assignments used, quality = 0.83: H VAL 26 + HA LEU 27 OK 49 87 - 56 - 1441/3.0=22, 3.0/6523=10...(10) QD TYR 102 + HA LEU 27 OK 38 99 - 38 - 4744/3.0=6, 4746/3.0=5...(12) QE PHE 40 + HA LEU 27 OK 30 97 - 31 - 6534/4.0=11, 8410/4.0=8...(7) QE PHE 96 + HA LEU 27 OK 24 93 - 25 - 93/3.0=6, 4722/3.0=3...(9) H LYS 65 - HA LEU 27 poor 9 89 - 10 - 6534/4.0=2, 8410/4.0=1 HE ARG 71 - HA LEU 27 lone 1 76 - 2 - Peak 6544 from cnoeabs.peaks (3.80, 4.16, 55.73 ppm; 3.78 A): 3 out of 11 assignments used, quality = 0.84: HB2 SER 29 + HA GLU 28 OK 57 98 - 58 - 3.9/5505=25, 6579=14...(11) HB3 SER 29 + HA GLU 28 OK 57 97 - 58 - 3.9/5505=25, 6579=14...(11) HA3 GLY 39 + HA GLU 28 OK 15 100 - 15 - 3.6/2304=3, 5554/3.0=2...(8) HA2 GLY 88 - HA GLU 28 lone 8 99 - 8 - 7555=1, 1.8/7555=1 HA3 GLY 88 - HA GLU 28 lone 8 97 - 8 - 7555=1, 1.8/7555=1 HB2 SER 90 - HA GLU 28 lone 3 100 - 3 - HA THR 116 - HA GLU 28 lone 3 65 - 4 - 890/3.6=1 HB2 SER 74 - HA GLU 28 lone 2 78 - 2 - HB3 SER 74 - HA GLU 28 lone 2 76 - 2 - HB2 SER 72 - HA GLU 28 lone 2 63 - 3 - HA2 GLY 61 - HA GLU 28 lone 1 97 - 1 - Peak 6546 from cnoeabs.peaks (2.07, 3.22, 28.23 ppm; 5.22 A): 5 out of 15 assignments used, quality = 0.78: HG LEU 21 + HB3 TRP 20 OK 39 97 - 40 - 4.7/5466=25, 6548/1.8=8...(5) HG3 GLU 69 + HB3 TRP 20 OK 37 85 - 44 - 6548/1.8=8, 3783/4.0=7...(9) HB2 LEU 114 + HB3 TRP 20 OK 18 97 - 19 - 7952/6.4=8, 6548/1.8=4...(5) HB2 GLN 16 + HB3 TRP 20 OK 16 99 - 16 - 6380/4.0=4, 6548/1.8=3...(6) HB3 GLN 16 + HB3 TRP 20 OK 16 99 - 16 - 6380/4.0=4, 6548/1.8=3...(6) HB2 GLU 15 - HB3 TRP 20 lone 8 92 - 9 - 6380/4.0=3, 6548/1.8=2 HB2 ARG 57 - HB3 TRP 20 lone 8 100 - 8 - 845/4.5=2, 6548/1.8=2 HB3 ARG 81 - HB3 TRP 20 lone 8 83 - 9 - 6548/1.8=1 HB ILE 63 - HB3 TRP 20 lone 7 99 - 7 - 845/4.5=2, 6548/1.8=1 HB2 LEU 101 - HB3 TRP 20 poor 7 63 - 11 - 845/4.5=4, 6548/1.8=2...(4) HG2 GLU 64 - HB3 TRP 20 lone 7 100 - 6 - 6548/1.8=1, 845/4.5=1 HB2 GLN 105 - HB3 TRP 20 lone 5 100 - 5 - 6548/1.8=1 HB3 GLU 38 - HB3 TRP 20 lone 4 96 - 4 - HG3 PRO 37 - HB3 TRP 20 lone 2 78 - 2 - HG3 PRO 60 - HB3 TRP 20 lone 1 68 - 2 - Peak 6547 from cnoeabs.peaks (1.32, 3.22, 28.23 ppm; 5.12 A): 2 out of 8 assignments used, quality = 0.95: QG2 THR 17 + HB3 TRP 20 OK 79 95 - 84 - 8459/1.8=26, 3.2/5969=23...(9) QG2 THR 23 + HB3 TRP 20 OK 75 100 - 75 - 6449/3.9=27, 8199/3.0=22...(9) HG3 LYS 46 - HB3 TRP 20 OK 21 95 - 22 - 4640/4.2=6, 4643/6.4=4...(6) HG2 LYS 46 - HB3 TRP 20 OK 21 95 - 22 - 4640/4.2=6, 4643/6.4=4...(6) QB ALA 43 - HB3 TRP 20 OK 14 87 - 17 - 3.6/1601=3, 6814/6.4=3...(6) HB3 LEU 84 - HB3 TRP 20 lone 8 99 - 8 - 4628/3.9=2, 6549/1.8=1 HG3 LYS 119 - HB3 TRP 20 lone 6 100 - 6 - 4628/3.9=1, 6549/1.8=1 HG CYS 87 - HB3 TRP 20 lone 6 100 - 5 - 5.6/2038=1 Peak 6548 from cnoeabs.peaks (2.08, 3.70, 28.23 ppm; 5.16 A): 5 out of 15 assignments used, quality = 0.80: HG3 GLU 69 + HB2 TRP 20 OK 41 93 - 44 - 3783/4.0=8, 6546/1.8=8...(9) HG LEU 21 + HB2 TRP 20 OK 40 99 - 40 - 4.7/5465=24, 6546/1.8=8...(5) HB2 LEU 114 + HB2 TRP 20 OK 20 100 - 20 - 7952/6.4=8, 6546/1.8=4...(5) HB3 GLN 16 + HB2 TRP 20 OK 17 100 - 17 - 6380/4.0=4, 6546/1.8=3...(6) HB2 GLN 16 + HB2 TRP 20 OK 17 100 - 17 - 6380/4.0=4, 6546/1.8=3...(6) HB2 GLU 15 - HB2 TRP 20 lone 9 97 - 10 - 6380/4.0=3, 6546/1.8=2 HB3 PRO 70 - HB2 TRP 20 poor 8 65 - 12 - ~7266=3, ~7265=3...(4) HB2 LEU 101 - HB2 TRP 20 poor 8 76 - 10 - 845/4.5=4, 6546/1.8=1...(4) HB2 ARG 57 - HB2 TRP 20 lone 8 100 - 8 - 845/4.5=2, 6546/1.8=2 HB ILE 63 - HB2 TRP 20 lone 7 95 - 7 - 845/4.5=2, 6546/1.8=2 HG2 GLU 64 - HB2 TRP 20 lone 7 100 - 7 - 6546/1.8=1, 845/4.5=1 HB2 GLN 105 - HB2 TRP 20 lone 6 100 - 6 - 4.0/521=1, 6546/1.8=1 HB3 ARG 81 - HB2 TRP 20 lone 6 71 - 8 - 6546/1.8=2, 3.5/2031=1 HB3 GLU 38 - HB2 TRP 20 lone 4 89 - 4 - HG3 PRO 37 - HB2 TRP 20 lone 2 65 - 2 - Peak 6549 from cnoeabs.peaks (1.33, 3.70, 28.23 ppm; 5.25 A): 2 out of 9 assignments used, quality = 0.96: QG2 THR 17 + HB2 TRP 20 OK 86 100 - 86 - 8459=32, 6346/4.5=24...(9) QG2 THR 23 + HB2 TRP 20 OK 74 97 - 76 - 6449/3.9=28, ~5986=23...(9) HG3 LYS 46 - HB2 TRP 20 OK 22 100 - 22 - 4640/4.2=6, 4643/6.4=4...(6) HG2 LYS 46 - HB2 TRP 20 OK 22 100 - 22 - 4640/4.2=6, 4643/6.4=4...(6) QB ALA 43 - HB2 TRP 20 OK 14 99 - 14 - 6814/6.4=3, 6547/1.8=2...(6) HB3 LEU 84 - HB2 TRP 20 lone 7 89 - 8 - 6547/1.8=1, 4628/3.9=1 HG3 LYS 119 - HB2 TRP 20 lone 7 99 - 7 - 6547/1.8=1, 4628/3.9=1 HG CYS 87 - HB2 TRP 20 lone 6 93 - 6 - 5.6/428=2 HB3 LEU 59 - HB2 TRP 20 lone 3 85 - 4 - 6401/4.5=1 Peak 6550 from cnoeabs.peaks (0.05, 7.29, 127.08 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 24 + HD1 TRP 20 OK 93 96 - 96 - 6387/2.6=43, 6476=37...(17) Peak 6553 from cnoeabs.peaks (0.85, 6.90, 120.64 ppm; 5.37 A): 5 out of 10 assignments used, quality = 0.88: QD2 LEU 114 + HZ3 TRP 20 OK 80 97 - 82 - 7949=25, 7950/2.4=20...(14) HG13 ILE 80 + HZ3 TRP 20 OK 16 87 - 18 - 2.1/7399=6, ~4660=3...(5) QD1 LEU 59 + HZ3 TRP 20 OK 12 91 - 13 - 4663/2.4=3, 4656/4.3=3 QD2 LEU 55 + HZ3 TRP 20 OK 11 96 - 12 - 4663/2.4=2, 6411/6396=2...(4) QD1 LEU 93 + HZ3 TRP 20 OK 11 66 - 16 - 4663/2.4=4, 4656/4.3=3...(4) QG1 VAL 115 - HZ3 TRP 20 poor 9 69 - 13 - 4663/2.4=2, 4656/4.3=2 HG13 ILE 22 - HZ3 TRP 20 lone 8 86 - 10 - 6411/6396=2, 4656/4.3=2...(4) QG1 VAL 49 - HZ3 TRP 20 lone 5 58 - 9 - 8493/7999=3, ~6037=1 QD2 LEU 59 - HZ3 TRP 20 lone 4 58 - 6 - ~4663=3 QD2 LEU 126 - HZ3 TRP 20 lone 2 82 - 2 - Peak 6554 from cnoeabs.peaks (0.70, 6.90, 120.64 ppm; 5.20 A): 3 out of 6 assignments used, quality = 0.96: QD2 LEU 54 + HZ3 TRP 20 OK 86 97 - 89 - 2.1/4647=24, ~4665=23...(13) QD1 LEU 114 + HZ3 TRP 20 OK 60 78 - 77 - 2.1/7949=24, 3.1/7951=15...(14) HG3 GLU 75 + HZ3 TRP 20 OK 36 98 - 37 - 8553/2.4=7, ~8337=7...(12) QG1 VAL 66 - HZ3 TRP 20 OK 24 95 - 26 - 4641/2.5=4, 4664/2.4=4...(11) QD1 LEU 77 - HZ3 TRP 20 OK 22 87 - 25 - 4641/2.5=4, 7340=4...(7) QD2 LEU 111 - HZ3 TRP 20 poor 8 56 - 15 - 6336/6345=5, 4664/2.4=2...(5) Peak 6555 from cnoeabs.peaks (0.06, 7.33, 114.08 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 24 + HZ2 TRP 20 OK 90 100 - 90 - 6387/2.8=40, ~8202=26...(13) Peak 6556 from cnoeabs.peaks (0.68, 7.33, 114.08 ppm; 5.17 A): 2 out of 5 assignments used, quality = 0.94: QD2 LEU 24 + HZ2 TRP 20 OK 89 94 - 94 - 2.1/4655=48, 8202/2.8=42...(13) QD1 LEU 21 + HZ2 TRP 20 OK 47 78 - 60 - 2.1/6389=18, ~4665=10...(13) HG3 GLU 75 - HZ2 TRP 20 OK 19 65 - 29 - ~8337=7, 8553/2.5=5...(8) QD1 LEU 77 - HZ2 TRP 20 OK 15 94 - 16 - 4641/5.0=3, 7340/4.3=3...(5) QG1 VAL 66 - HZ2 TRP 20 OK 14 83 - 17 - 4641/5.0=3, 4664/2.5=2...(7) Peak 6557 from cnoeabs.peaks (1.38, 7.33, 114.08 ppm; 5.14 A): 5 out of 8 assignments used, quality = 0.88: QG2 THR 121 + HZ2 TRP 20 OK 70 100 - 70 - 8072=50, 8073/2.5=20...(10) HB2 LEU 27 + HZ2 TRP 20 OK 26 78 - 34 - 3.1/6535=13, 1.8/4652=4...(10) HB VAL 110 + HZ2 TRP 20 OK 24 85 - 29 - 4.0/2087=6, 4975/2.5=5...(7) HB3 LEU 93 + HZ2 TRP 20 OK 16 99 - 17 - 3.1/4656=4, 7062/7049=2...(6) HB2 LEU 111 + HZ2 TRP 20 OK 15 92 - 16 - 7885/2.5=3, 8023/8019=2...(7) HG LEU 59 - HZ2 TRP 20 poor 9 65 - 14 - 2.1/4656=4, ~4663=3...(5) HB3 LEU 59 - HZ2 TRP 20 poor 7 65 - 11 - 3.2/4656=3, 4.8/6393=3, ~4663=2 HG2 LYS 31 - HZ2 TRP 20 lone 6 100 - 6 - 7062/7049=2 Peak 6558 from cnoeabs.peaks (1.77, 7.33, 114.08 ppm; 5.15 A): 2 out of 16 assignments used, quality = 0.99: HG LEU 117 + HZ2 TRP 20 OK 90 100 - 90 - 2.1/4651=29, ~4661=26...(16) HB2 LEU 117 + HZ2 TRP 20 OK 88 99 - 89 - 3.1/4651=25, ~4658=22...(17) HB2 GLU 75 - HZ2 TRP 20 OK 36 99 - 36 - 3.0/4653=5, ~8330=5...(10) HB2 LEU 45 - HZ2 TRP 20 OK 26 93 - 28 - ~8387=6, 4.3/4556=5...(8) HG3 PRO 30 - HZ2 TRP 20 OK 18 100 - 18 - 6591=5, 6592/2.5=2...(4) HB3 LYS 46 - HZ2 TRP 20 OK 17 90 - 19 - 4.0/4556=5, 2939/4.3=5 HD3 LYS 109 - HZ2 TRP 20 OK 17 100 - 17 - ~5871=4, 4659/2.5=3...(5) HD2 LYS 109 - HZ2 TRP 20 OK 17 100 - 17 - ~5871=4, 4659/2.5=3...(5) HB VAL 66 - HZ2 TRP 20 OK 11 83 - 13 - 2.1/4653=4, ~4664=3...(4) HG2 GLN 42 - HZ2 TRP 20 lone 10 99 - 10 - HG3 ARG 71 - HZ2 TRP 20 lone 7 97 - 7 - 6591=2 HB2 PRO 37 - HZ2 TRP 20 lone 5 85 - 6 - HG2 ARG 71 - HZ2 TRP 20 lone 5 73 - 7 - 1.8/6591=1, 6591=1 HB2 LYS 32 - HZ2 TRP 20 lone 5 85 - 5 - 8089/8072=2 HB3 GLU 56 - HZ2 TRP 20 lone 4 71 - 6 - 6988/6977=1 HB2 ARG 53 - HZ2 TRP 20 lone 2 68 - 2 - Peak 6559 from cnoeabs.peaks (7.26, 3.38, 57.72 ppm; 4.88 A): 5 out of 6 assignments used, quality = 0.90: H VAL 26 + HA LEU 21 OK 76 95 - 80 - 6497=27, 4.0/8215=18...(15) HD1 TRP 20 + HA LEU 21 OK 26 76 - 34 - 4630/6403=14, 6395/3.7=7...(7) HE ARG 57 + HA LEU 21 OK 24 100 - 24 - 6395/3.7=5, 8551/3.7=5...(9) QE PHE 96 + HA LEU 21 OK 16 89 - 19 - 6395/3.7=3, 6422/4.9=2...(9) QD PHE 96 + HA LEU 21 OK 13 97 - 14 - 6395/3.7=3, 6452/1574=1...(4) HE ARG 71 - HA LEU 21 lone 5 99 - 5 - ~58=1 Peak 6560 from cnoeabs.peaks (0.56, 1.65, 26.55 ppm; 4.12 A): 4 out of 4 assignments used, quality = 0.94: QD2 LEU 45 + HG LEU 27 OK 55 99 - 55 - 6528/2.1=11, 2.1/6561=9...(14) QG1 VAL 50 + HG LEU 27 OK 54 100 - 55 - 6528/2.1=12, 6531/2.1=9...(13) HG12 ILE 34 + HG LEU 27 OK 52 97 - 54 - 6528/2.1=8, 2610=7...(16) QD2 LEU 77 + HG LEU 27 OK 37 97 - 38 - 6528/2.1=7, 7345/3.0=7...(8) Peak 6561 from cnoeabs.peaks (0.66, 1.65, 26.55 ppm; 4.58 A): 4 out of 4 assignments used, quality = 0.93: QD1 LEU 21 + HG LEU 27 OK 74 99 - 75 - 6527/2.1=20, ~6529=16...(17) QD1 LEU 45 + HG LEU 27 OK 51 89 - 58 - 6527/2.1=12, 2.1/6560=12...(15) QD1 LEU 77 + HG LEU 27 OK 23 65 - 36 - 2.1/6560=8, ~6528=6...(9) QD2 LEU 24 + HG LEU 27 OK 23 100 - 23 - 6527/2.1=6, 6477/5.3=4...(5) Peak 6562 from cnoeabs.peaks (0.92, 4.16, 55.73 ppm; 4.12 A): 3 out of 11 assignments used, quality = 0.93: QG2 ILE 22 + HA GLU 28 OK 66 100 - 66 - 6426/3.6=20, 3.0/6563=15...(23) QD1 LEU 27 + HA GLU 28 OK 54 99 - 55 - 104/3.0=10, ~102=7...(18) QD2 LEU 27 + HA GLU 28 OK 54 100 - 54 - 104/3.0=10, ~102=7...(17) QD1 LEU 55 - HA GLU 28 OK 23 90 - 26 - 2.1/7017=4, 6564/3.0=3...(10) QD1 LEU 117 - HA GLU 28 OK 19 97 - 19 - ~6543=5, 104/3.0=2...(5) QG2 VAL 115 - HA GLU 28 OK 14 100 - 14 - 6569/3.6=3, 2.1/6563=2...(4) QD1 LEU 41 - HA GLU 28 OK 13 95 - 14 - 103/3.0=3, 8729/3.6=3...(5) HB2 GLN 42 - HA GLU 28 OK 10 100 - 10 - ~102=3, 104/3.0=2, 6569/3.6=1 QD1 ILE 63 - HA GLU 28 poor 10 78 - 12 - 103/3.0=1, 6564/3.0=1 QG2 VAL 49 - HA GLU 28 lone 6 100 - 5 - QD1 LEU 126 - HA GLU 28 lone 3 97 - 3 - Peak 6563 from cnoeabs.peaks (0.81, 4.16, 55.73 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.77: QD1 ILE 22 + HA GLU 28 OK 72 99 - 72 - 6424/3.6=30, 3.0/6562=9...(23) QD1 LEU 111 + HA GLU 28 OK 19 97 - 19 - 7903=3, 6570/3.6=3...(5) QG1 VAL 115 - HA GLU 28 poor 10 76 - 13 - 6570/3.6=4, 2.1/6562=2...(4) QD2 LEU 91 - HA GLU 28 lone 7 98 - 7 - 6570/3.6=3 QD1 LEU 93 - HA GLU 28 lone 6 78 - 8 - 6570/3.6=2 HB2 ASN 118 - HA GLU 28 lone 2 92 - 3 - Peak 6564 from cnoeabs.peaks (0.92, 1.90, 30.21 ppm; 4.08 A): 6 out of 11 assignments used, quality = 0.93: QG2 ILE 22 + HB2 GLU 28 OK 67 100 - 68 - 6426/4.2=17, ~6563=8...(26) QD2 LEU 27 + HB2 GLU 28 OK 40 100 - 41 - 4.8/2310=13, 6562/3.0=6...(11) QD1 LEU 27 + HB2 GLU 28 OK 39 99 - 39 - 4.8/2310=13, 6562/3.0=6...(11) QD1 LEU 55 + HB2 GLU 28 OK 25 90 - 27 - 6562/3.0=3, 2.1/2313=2...(13) QD1 LEU 117 + HB2 GLU 28 OK 14 97 - 14 - 6562/3.0=2, 104/3.8=2 QG2 VAL 115 + HB2 GLU 28 OK 12 100 - 12 - 6569/4.2=3, 6562/3.0=1...(5) QD1 LEU 41 - HB2 GLU 28 lone 9 95 - 10 - 103/3.8=2, 8729/4.2=2 QD1 ILE 63 - HB2 GLU 28 poor 9 78 - 11 - 6562/3.0=1, 103/3.8=1 HB2 GLN 42 - HB2 GLU 28 lone 6 100 - 6 - 104/3.8=2, 6569/4.2=1 QG2 VAL 49 - HB2 GLU 28 lone 5 100 - 5 - QD1 LEU 126 - HB2 GLU 28 lone 3 97 - 3 - Peak 6565 from cnoeabs.peaks (0.93, 2.23, 36.06 ppm; 4.17 A): 5 out of 48 assignments used, quality = 0.93: QD1 ILE 63 + HG3 GLU 64 OK 51 95 - 54 - 5668/5.0=19, 3.2/7140=5...(20) QG2 ILE 22 + HG3 GLU 28 OK 49 99 - 50 - 6564/3.0=8, 2158/3.0=6...(21) QG2 ILE 22 + HG2 GLU 28 OK 49 99 - 50 - 6564/3.0=8, 2158/3.0=6...(21) QD1 LEU 27 + HG3 GLU 28 OK 26 100 - 26 - 4.8/886=7, 6564/3.0=5...(8) QD1 LEU 27 + HG2 GLU 28 OK 26 100 - 26 - 4.8/886=7, 6564/3.0=5...(8) QD2 LEU 27 - HG3 GLU 28 OK 25 99 - 25 - 4.8/886=7, 6564/3.0=5...(8) QD2 LEU 27 - HG2 GLU 28 OK 25 99 - 25 - 4.8/886=7, 6564/3.0=5...(7) QD1 LEU 55 - HG3 GLU 28 OK 20 100 - 20 - 6564/3.0=3, 6562/4.0=2...(6) QD1 LEU 55 - HG2 GLU 28 OK 20 100 - 20 - 6564/3.0=3, 6562/4.0=2...(6) QD1 LEU 117 - HG3 GLU 28 OK 14 78 - 17 - 2.1/5168=2, 6564/3.0=2...(7) QD1 LEU 117 - HG2 GLU 28 OK 14 78 - 17 - 2.1/5168=2, 6564/3.0=2...(7) QD1 ILE 63 - HG3 GLU 28 OK 12 97 - 13 - 5668/3564=2, 3.2/7140=1...(4) QD1 ILE 63 - HG2 GLU 28 OK 12 97 - 13 - 5668/3564=2, 3.2/7140=1...(4) QD1 ILE 63 - HG2 GLU 94 poor 10 89 - 11 - 7126/4.9=2, 5668/3564=2...(4) QD1 LEU 41 - HG2 GLU 94 lone 9 94 - 9 - 2812/4.9=2 QD1 LEU 41 - HG3 GLU 28 lone 8 100 - 8 - 103/5.1=2, 6564/3.0=1 QD1 LEU 41 - HG2 GLU 28 lone 8 100 - 8 - 103/5.1=2, 6564/3.0=1 QD1 LEU 55 - HG2 GLU 94 lone 7 93 - 8 - ~7016=2 QG2 VAL 115 - HG3 GLU 28 lone 7 99 - 7 - 6564/3.0=1, 6562/4.0=1 QG2 VAL 115 - HG2 GLU 28 lone 7 99 - 7 - 6564/3.0=1, 6562/4.0=1 QD2 LEU 27 - HG3 GLU 64 lone 7 97 - 7 - 298/5.0=1 QD1 LEU 27 - HG3 GLU 64 lone 6 98 - 6 - 298/5.0=1 QD1 LEU 41 - HG3 GLU 64 lone 6 99 - 6 - 298/5.0=2 QG2 ILE 22 - HG3 GLU 64 lone 5 97 - 5 - QD1 LEU 55 - HG3 GLU 64 lone 5 98 - 5 - 298/5.0=1 HB2 GLN 42 - HG3 GLU 28 lone 4 93 - 5 - 104/5.1=1 HB2 GLN 42 - HG2 GLU 28 lone 4 93 - 5 - 104/5.1=1 QG2 VAL 49 - HG3 GLU 28 lone 4 97 - 4 - QG2 VAL 49 - HG2 GLU 28 lone 4 96 - 4 - QD1 LEU 117 - HG2 GLU 94 lone 3 69 - 5 - QG2 ILE 124 - HG3 GLU 64 lone 3 63 - 5 - 298/5.0=1 QD1 LEU 117 - HG3 GLU 64 lone 3 75 - 4 - QG2 ILE 124 - HG2 GLU 94 lone 3 57 - 5 - QG2 VAL 115 - HG3 GLU 64 lone 3 97 - 3 - QD1 LEU 27 - HG2 GLU 94 lone 3 93 - 3 - HB2 GLN 42 - HG3 GLU 64 lone 2 91 - 3 - QG2 VAL 49 - HG3 GLU 64 lone 2 94 - 3 - QG2 VAL 49 - HG2 GLU 94 lone 2 88 - 3 - QD2 LEU 27 - HG2 GLU 94 lone 2 91 - 2 - QG2 VAL 115 - HG2 GLU 94 lone 2 92 - 2 - QG2 ILE 22 - HG2 GLU 94 lone 2 92 - 2 - QD1 LEU 126 - HG3 GLU 28 lone 2 76 - 2 - QG2 ILE 124 - HG3 GLU 28 lone 2 65 - 2 - QD1 LEU 126 - HG2 GLU 28 lone 2 76 - 2 - QG2 ILE 124 - HG2 GLU 28 lone 2 65 - 2 - HB2 GLN 42 - HG2 GLU 94 lone 1 84 - 2 - QD1 LEU 126 - HG3 GLU 64 lone 1 73 - 1 - QD1 LEU 126 - HG2 GLU 94 lone 1 67 - 1 - Peak 6566 from cnoeabs.peaks (3.81, 1.90, 30.21 ppm; 5.05 A): 2 out of 11 assignments used, quality = 0.94: HB2 SER 29 + HB2 GLU 28 OK 75 100 - 75 - 3.9/5506=33, 6544/3.0=16...(15) HB3 SER 29 + HB2 GLU 28 OK 75 99 - 75 - 3.9/5506=33, 6544/3.0=16...(15) HA3 GLY 39 - HB2 GLU 28 OK 17 100 - 17 - 6544/3.0=4, 5554/3.8=3...(7) HA2 GLY 88 - HB2 GLU 28 OK 12 100 - 11 - 6544/3.0=2, ~6544=2, ~7555=1 HA3 GLY 88 - HB2 GLU 28 OK 11 99 - 11 - 6544/3.0=2, ~6544=2, ~7555=1 HA LYS 119 - HB2 GLU 28 lone 7 68 - 10 - HA THR 116 - HB2 GLU 28 lone 6 76 - 8 - 890/4.2=2 HB2 SER 90 - HB2 GLU 28 lone 5 98 - 5 - HB2 SER 74 - HB2 GLU 28 lone 2 68 - 4 - HA2 GLY 61 - HB2 GLU 28 lone 2 93 - 3 - HB3 SER 74 - HB2 GLU 28 lone 2 65 - 4 - Peak 6567 from cnoeabs.peaks (3.80, 2.23, 36.06 ppm; 4.26 A): 4 out of 44 assignments used, quality = 0.94: HB2 SER 29 + HG3 GLU 28 OK 51 97 - 53 - 3.9/5509=12, 6544/4.0=10...(11) HB2 SER 29 + HG2 GLU 28 OK 51 97 - 53 - 3.9/5508=12, 6544/4.0=10...(11) HB3 SER 29 + HG3 GLU 28 OK 51 97 - 53 - 3.9/5509=12, 6544/4.0=10...(11) HB3 SER 29 + HG2 GLU 28 OK 51 96 - 53 - 3.9/5508=12, 6544/4.0=10...(11) HA3 GLY 39 - HG2 GLU 28 OK 12 100 - 12 - 6544/4.0=3, 6566/3.0=2...(4) HA3 GLY 39 - HG3 GLU 28 OK 12 100 - 12 - 6544/4.0=3, 6566/3.0=2...(4) HA2 GLY 88 - HG3 GLU 28 lone 6 99 - 6 - 6544/4.0=1, 6566/3.0=1 HA2 GLY 88 - HG2 GLU 28 lone 6 99 - 6 - 6544/4.0=1, 6566/3.0=1 HA3 GLY 88 - HG3 GLU 28 lone 6 96 - 6 - 6544/4.0=1, 6566/3.0=1 HA3 GLY 88 - HG2 GLU 28 lone 6 95 - 6 - 6544/4.0=1, 6566/3.0=1 HA3 GLY 39 - HG3 GLU 64 lone 4 98 - 4 - HA3 GLY 39 - HG2 GLU 94 lone 4 93 - 4 - HA2 GLY 88 - HG2 GLU 94 lone 3 91 - 4 - ~431=2 HA3 GLY 88 - HG2 GLU 94 lone 3 87 - 4 - ~431=2 HA THR 116 - HG3 GLU 28 lone 3 63 - 4 - HA THR 116 - HG2 GLU 28 lone 3 63 - 4 - HA THR 116 - HG2 GLU 94 lone 3 55 - 5 - ~7991=2 HB2 SER 90 - HG3 GLU 28 lone 2 100 - 2 - HB2 SER 90 - HG2 GLU 28 lone 2 100 - 2 - HB2 SER 29 - HG3 GLU 64 lone 2 95 - 2 - HB3 SER 29 - HG3 GLU 64 lone 2 94 - 2 - HB2 SER 74 - HG3 GLU 28 lone 2 81 - 2 - HB2 SER 74 - HG2 GLU 28 lone 2 80 - 2 - HB3 SER 74 - HG3 GLU 28 lone 2 78 - 2 - HB2 SER 29 - HG2 GLU 94 lone 2 89 - 2 - HB3 SER 74 - HG2 GLU 28 lone 2 78 - 2 - HB3 SER 29 - HG2 GLU 94 lone 2 88 - 2 - HB2 SER 90 - HG2 GLU 94 lone 1 93 - 2 - HA2 GLY 61 - HG3 GLU 28 lone 1 98 - 1 - HA2 GLY 61 - HG2 GLU 28 lone 1 98 - 1 - HA THR 116 - HG3 GLU 64 lone 1 60 - 2 - HB2 SER 72 - HG3 GLU 28 lone 1 65 - 2 - HB2 SER 72 - HG2 GLU 28 lone 1 65 - 2 - HB2 SER 90 - HG3 GLU 64 lone 1 98 - 1 - HA2 GLY 88 - HG3 GLU 64 lone 1 97 - 1 - HA2 GLY 61 - HG3 GLU 64 lone 1 96 - 1 - HA3 GLY 88 - HG3 GLU 64 lone 1 93 - 1 - HB2 SER 74 - HG2 GLU 94 lone 1 71 - 1 - HB2 SER 74 - HG3 GLU 64 lone 1 78 - 1 - HB3 SER 74 - HG2 GLU 94 lone 1 69 - 1 - HB3 SER 74 - HG3 GLU 64 lone 1 75 - 1 - HA2 GLY 61 - HG2 GLU 94 lone 1 90 - 1 - HB2 SER 72 - HG3 GLU 64 lone 1 63 - 1 - HB2 SER 72 - HG2 GLU 94 lone 0 57 - 1 - Peak 6568 from cnoeabs.peaks (0.78, 2.23, 36.06 ppm; 4.98 A): 4 out of 24 assignments used, quality = 0.92: QG2 ILE 63 + HG3 GLU 64 OK 66 84 - 79 - 5665/5.0=26, 7145/3.9=18...(27) QD1 ILE 22 + HG3 GLU 28 OK 44 78 - 57 - 6563/4.0=7, ~6564=6...(22) QD1 ILE 22 + HG2 GLU 28 OK 44 78 - 57 - 6563/4.0=7, ~6564=6...(22) QG2 ILE 63 + HG3 GLU 28 OK 20 87 - 23 - 4.3/3564=4, 7140=2...(6) QG2 ILE 63 - HG2 GLU 28 OK 20 87 - 22 - 4.3/3564=4, 7140=2...(6) QD2 LEU 93 - HG2 GLU 94 OK 19 64 - 29 - 463/4.9=7, ~8524=3...(11) QD1 LEU 111 - HG3 GLU 64 OK 17 84 - 20 - 7910/3.0=3, 7910/3.0=3...(6) QG2 ILE 63 - HG2 GLU 94 OK 15 77 - 20 - 4.3/3564=5, 7145/4.2=3...(6) QG2 VAL 66 - HG3 GLU 64 OK 15 98 - 15 - 295/5.0=3, 8509=3...(7) HG LEU 111 - HG3 GLU 64 OK 12 60 - 20 - 295/5.0=3, 2.1/7908=3...(8) QG2 VAL 66 - HG2 GLU 94 OK 11 93 - 12 - 8509=2, 7194/4.2=2...(5) QG2 VAL 66 - HG3 GLU 28 OK 11 99 - 11 - 8509=2, 2.1/7181=2...(5) QG2 VAL 66 - HG2 GLU 28 OK 11 99 - 11 - 8509=2, 2.1/7181=2...(5) QD1 LEU 111 - HG3 GLU 28 lone 8 87 - 9 - 7903/4.0=2, 7908=1, 7908/1.8=1 QD1 LEU 111 - HG2 GLU 28 lone 8 87 - 9 - 7903/4.0=2, 7908/1.8=1, 7908=1 QD2 LEU 93 - HG3 GLU 64 lone 6 70 - 9 - 295/5.0=2 QD1 LEU 111 - HG2 GLU 94 lone 5 77 - 7 - HG LEU 111 - HG2 GLU 94 lone 5 55 - 9 - 463/4.9=3 QD1 ILE 22 - HG3 GLU 64 lone 4 75 - 5 - HG LEU 111 - HG3 GLU 28 lone 4 63 - 6 - 2.1/7908=1, ~7908=1 HG LEU 111 - HG2 GLU 28 lone 4 63 - 6 - 2.1/7908=1, ~7908=1 QD2 LEU 93 - HG3 GLU 28 lone 3 73 - 3 - QD2 LEU 93 - HG2 GLU 28 lone 3 73 - 3 - QD1 ILE 22 - HG2 GLU 94 lone 2 69 - 2 - Peak 6571 from cnoeabs.peaks (3.69, 4.43, 56.13 ppm; 3.19 A): 1 out of 3 assignments used, quality = 0.72: HD3 PRO 30 + HA SER 29 OK 72 100 - 72 - 3.8=60, 1.8/6608=18...(4) HB2 TRP 20 - HA SER 29 lone 4 92 - 4 - 2352/3.8=3 HA2 GLY 104 - HA SER 29 lone 1 73 - 2 - 2352/3.8=1 Peak 6572 from cnoeabs.peaks (1.80, 4.43, 56.13 ppm; 4.59 A): 3 out of 11 assignments used, quality = 0.58: HB2 LYS 32 + HA SER 29 OK 46 97 - 48 - 2496=9, 1.8/2506=9...(12) HB2 LEU 117 + HA SER 29 OK 11 76 - 15 - 4.0/1781=4, 3.1/6573=3...(5) HB2 PRO 37 + HA SER 29 OK 11 97 - 11 - ~106=2, ~109=2, ~110=2...(5) HB3 ARG 92 - HA SER 29 lone 6 97 - 7 - 1.8/8244=1, ~7592=1 HB2 GLU 75 - HA SER 29 lone 5 81 - 6 - 7319/4.8=2 HB3 GLU 56 - HA SER 29 lone 4 100 - 4 - HG13 ILE 63 - HA SER 29 lone 3 73 - 4 - HB3 GLN 105 - HA SER 29 lone 3 78 - 4 - HB3 ARG 57 - HA SER 29 lone 2 90 - 2 - HG2 GLU 75 - HA SER 29 lone 2 89 - 2 - HB2 PRO 60 - HA SER 29 lone 1 99 - 1 - Peak 6573 from cnoeabs.peaks (0.92, 4.43, 56.13 ppm; 3.73 A): 6 out of 11 assignments used, quality = 0.92: QG2 ILE 22 + HA SER 29 OK 79 100 - 79 - 6433=30, 3.0/6437=20...(18) QG2 VAL 115 + HA SER 29 OK 30 100 - 30 - 7972/3.8=9, 2.1/6574=5...(10) QD2 LEU 27 + HA SER 29 OK 15 100 - 15 - 6569/2.9=4, ~8729=2...(6) QD1 LEU 117 + HA SER 29 OK 14 97 - 15 - 3.1/6572=2, 4.6/1781=2...(5) QD1 LEU 27 + HA SER 29 OK 13 99 - 13 - 6569/2.9=4, ~6569=2...(4) HB2 GLN 42 + HA SER 29 OK 10 100 - 10 - 6598/3.8=2, 6595/3.8=2 QD1 LEU 126 - HA SER 29 lone 9 97 - 9 - 2.1/6607=1, 6598/3.8=1 QD1 LEU 41 - HA SER 29 lone 8 95 - 9 - 8729/2.9=2, ~8728=1, 6595/3.8=1 QD1 LEU 55 - HA SER 29 lone 7 90 - 8 - 6569/2.9=1 QD1 ILE 63 - HA SER 29 lone 4 78 - 4 - QG2 VAL 49 - HA SER 29 lone 3 100 - 3 - Peak 6574 from cnoeabs.peaks (0.80, 4.43, 56.13 ppm; 3.31 A): 3 out of 6 assignments used, quality = 0.81: QD1 ILE 22 + HA SER 29 OK 75 100 - 75 - 6437=29, 6424/2.9=16...(19) QG1 VAL 115 + HA SER 29 OK 14 68 - 20 - 2.1/6573=4, 6599/3.8=4...(7) QD2 LEU 91 + HA SER 29 OK 14 96 - 14 - 6596/3.8=4, 6599/3.8=3...(4) QD1 LEU 111 - HA SER 29 lone 10 99 - 10 - 7900/3.8=2, 6570/2.9=1...(4) QD1 LEU 93 - HA SER 29 lone 6 71 - 8 - 8525=2 HB2 ASN 118 - HA SER 29 lone 2 87 - 2 - Peak 6575 from cnoeabs.peaks (0.91, 3.81, 63.22 ppm; 3.16 A): 4 out of 28 assignments used, quality = 0.85: QG2 ILE 22 + HB2 SER 29 OK 56 90 - 62 - 6435=14, 6433/3.0=12...(19) QG2 ILE 22 + HB3 SER 29 OK 55 90 - 61 - 6435=14, 6433/3.0=12...(18) QG2 VAL 115 + HB2 SER 29 OK 12 90 - 13 - 7972/4.8=4, 6573/3.0=3...(5) QG2 VAL 115 + HB3 SER 29 OK 12 90 - 13 - 7972/4.8=4, 6573/3.0=3...(5) QD1 LEU 117 - HB3 SER 29 lone 8 100 - 7 - 6573/3.0=1, 7086/4.8=1 QD1 LEU 117 - HB2 SER 29 lone 7 100 - 7 - 6573/3.0=1, 7086/4.8=1 HB2 GLN 42 - HB3 SER 29 lone 7 98 - 8 - 6595/4.8=1, 6598/4.8=1 HB2 GLN 42 - HB2 SER 29 lone 7 98 - 8 - 6595/4.8=1, 6598/4.8=1 QD2 LEU 27 - HB3 SER 29 lone 7 92 - 8 - 6569/3.9=2, 6573/3.0=1 QD2 LEU 27 - HB2 SER 29 lone 7 92 - 8 - 6569/3.9=2, 6573/3.0=1 QD1 LEU 27 - HB3 SER 29 lone 6 87 - 7 - 6569/3.9=2, 6573/3.0=1 QD1 LEU 27 - HB2 SER 29 lone 6 87 - 7 - 6569/3.9=2, 6573/3.0=1 QD1 LEU 126 - HB3 SER 29 lone 5 100 - 5 - QD1 LEU 126 - HB2 SER 29 lone 5 100 - 5 - QD1 LEU 41 - HB3 SER 29 lone 4 73 - 6 - 8729/3.9=1 QD1 LEU 41 - HB2 SER 29 lone 4 73 - 6 - 8729/3.9=1 QD2 LEU 41 - HB2 SER 29 lone 4 85 - 4 - 8728/3.9=1 QD2 LEU 41 - HB3 SER 29 lone 4 85 - 4 - 8728/3.9=1 QD1 LEU 55 - HB3 SER 29 lone 3 65 - 4 - QD1 LEU 55 - HB2 SER 29 lone 3 65 - 4 - QG2 VAL 49 - HB3 SER 29 lone 2 96 - 2 - QG2 VAL 49 - HB2 SER 29 lone 2 96 - 2 - QD2 LEU 59 - HB3 SER 29 lone 1 68 - 2 - QD2 LEU 59 - HB2 SER 29 lone 1 68 - 2 - QD1 ILE 124 - HB3 SER 29 lone 1 81 - 1 - QD1 ILE 124 - HB2 SER 29 lone 1 81 - 1 - QG1 VAL 49 - HB2 SER 29 lone 1 68 - 1 - QG1 VAL 49 - HB3 SER 29 lone 1 68 - 1 - Peak 6576 from cnoeabs.peaks (0.79, 3.81, 63.22 ppm; 3.69 A): 2 out of 10 assignments used, quality = 0.93: QD1 ILE 22 + HB2 SER 29 OK 75 97 - 77 - 6437/3.0=20, 6424/3.9=16...(21) QD1 ILE 22 + HB3 SER 29 OK 74 97 - 77 - 6437/3.0=20, 6424/3.9=16...(20) QD1 LEU 111 - HB3 SER 29 lone 10 99 - 10 - 7900/4.8=2, 6574/3.0=2 QD1 LEU 111 - HB2 SER 29 lone 10 99 - 10 - 7900/4.8=2, 6574/3.0=2 QD2 LEU 91 - HB3 SER 29 poor 9 68 - 13 - 6596/4.8=4, 6574/3.0=3...(4) QD2 LEU 91 - HB2 SER 29 poor 9 68 - 13 - 6596/4.8=4, 6574/3.0=3...(4) QG2 VAL 66 - HB3 SER 29 lone 2 89 - 2 - QG2 VAL 66 - HB2 SER 29 lone 2 89 - 2 - QG2 ILE 63 - HB3 SER 29 lone 2 60 - 2 - QG2 ILE 63 - HB2 SER 29 lone 2 60 - 2 - Peak 6577 from cnoeabs.peaks (1.89, 3.81, 63.22 ppm; 4.10 A): 6 out of 32 assignments used, quality = 0.99: HB ILE 22 + HB2 SER 29 OK 67 89 - 75 - 2.1/6435=15, ~6433=13...(17) HB ILE 22 + HB3 SER 29 OK 66 89 - 75 - 2.1/6435=15, ~6433=13...(17) HB2 GLU 28 + HB2 SER 29 OK 59 96 - 62 - 5506/3.9=22, 3.0/6544=12...(12) HB2 GLU 28 + HB3 SER 29 OK 59 96 - 62 - 5506/3.9=22, 3.0/6544=12...(12) HB3 GLU 28 + HB3 SER 29 OK 45 78 - 58 - 5507/3.9=18, 3.0/6544=12...(11) HB3 GLU 28 + HB2 SER 29 OK 45 78 - 58 - 5507/3.9=18, 3.0/6544=12...(11) HB2 LYS 119 - HB3 SER 29 OK 16 99 - 16 - 6252/1.8=2, 6252=2...(5) HB2 LYS 119 - HB2 SER 29 OK 16 99 - 16 - 6252/1.8=2, 6252=2...(6) HB3 LYS 31 - HB3 SER 29 OK 11 99 - 11 - 4.6/8706=3, 4.6/8706=3 HB3 LYS 31 - HB2 SER 29 OK 11 99 - 11 - 4.6/8706=3, 4.6/8706=3 HB2 ARG 92 - HB2 SER 29 lone 8 90 - 9 - 3.0/7592=2, ~7592=1...(4) HB2 ARG 92 - HB3 SER 29 lone 8 90 - 9 - 3.0/7592=2, ~7592=1...(4) HG LEU 55 - HB3 SER 29 lone 6 99 - 6 - HG LEU 55 - HB2 SER 29 lone 6 99 - 6 - HB2 LEU 84 - HB3 SER 29 lone 5 97 - 5 - 107/3.9=1 HB2 LEU 84 - HB2 SER 29 lone 5 97 - 5 - 107/3.9=1 HG LEU 84 - HB3 SER 29 lone 5 100 - 5 - 107/3.9=1 HG LEU 84 - HB2 SER 29 lone 5 100 - 5 - 107/3.9=1 HG3 PRO 68 - HB3 SER 29 lone 4 78 - 5 - 108/3.9=1 HG3 PRO 68 - HB2 SER 29 lone 4 78 - 5 - 108/3.9=1 HB2 ARG 81 - HB3 SER 29 lone 2 90 - 3 - HB2 ARG 81 - HB2 SER 29 lone 2 90 - 3 - HB3 GLU 73 - HB3 SER 29 lone 2 85 - 3 - HB3 GLU 73 - HB2 SER 29 lone 2 85 - 3 - HB2 LEU 58 - HB3 SER 29 lone 2 83 - 3 - HB2 LEU 58 - HB2 SER 29 lone 2 83 - 3 - HB VAL 50 - HB3 SER 29 lone 2 99 - 2 - HB VAL 50 - HB2 SER 29 lone 2 99 - 2 - HB3 LYS 109 - HB3 SER 29 lone 1 68 - 2 - HB3 LYS 109 - HB2 SER 29 lone 1 68 - 2 - HB3 MET 11 - HB3 SER 29 lone 1 73 - 1 - HB3 MET 11 - HB2 SER 29 lone 1 73 - 1 - Peak 6578 from cnoeabs.peaks (2.22, 3.81, 63.22 ppm; 4.51 A): 4 out of 28 assignments used, quality = 0.95: HG2 GLU 28 + HB2 SER 29 OK 54 96 - 57 - 5508/3.9=13, 4.0/6544=11...(11) HG2 GLU 28 + HB3 SER 29 OK 54 96 - 57 - 5508/3.9=13, 4.0/6544=11...(11) HG3 GLU 28 + HB2 SER 29 OK 53 93 - 57 - 5508/3.9=13, 4.0/6544=11...(11) HG3 GLU 28 + HB3 SER 29 OK 53 93 - 57 - 5508/3.9=13, 4.0/6544=11...(11) HB3 PRO 37 - HB3 SER 29 OK 12 100 - 12 - ~6572=3, 2.3/6675=2...(5) HB3 PRO 37 - HB2 SER 29 OK 12 100 - 12 - ~6572=3, 2.3/6675=2...(5) HB3 LEU 117 - HB3 SER 29 poor 10 92 - 11 - ~6572=3, 3.1/6575=1...(4) HB3 LEU 117 - HB2 SER 29 poor 10 92 - 11 - ~6572=3, 3.1/6575=1...(4) HG2 PRO 37 - HB3 SER 29 lone 6 90 - 7 - ~6572=2, 3.8/6675=2 HG2 PRO 37 - HB2 SER 29 lone 6 90 - 6 - ~6572=2, 3.8/6675=2 HB2 PRO 68 - HB3 SER 29 lone 6 90 - 6 - 109/3.9=2 HB2 PRO 68 - HB2 SER 29 lone 6 90 - 6 - 109/3.9=2 HG2 GLU 38 - HB2 SER 29 lone 4 78 - 5 - 2718/4.8=1 HG2 GLU 38 - HB3 SER 29 lone 4 78 - 5 - 2718/4.8=1 HG3 GLU 38 - HB2 SER 29 lone 4 76 - 5 - 2718/4.8=1 HG3 GLU 38 - HB3 SER 29 lone 4 76 - 5 - 2718/4.8=1 HG2 GLU 56 - HB3 SER 29 lone 2 63 - 3 - HG2 GLU 56 - HB2 SER 29 lone 2 63 - 3 - HG3 GLU 64 - HB2 SER 29 lone 2 85 - 2 - HG3 GLU 64 - HB3 SER 29 lone 2 85 - 2 - HG2 GLU 94 - HB2 SER 29 lone 2 81 - 2 - HG2 GLU 94 - HB3 SER 29 lone 2 81 - 2 - HB2 PRO 70 - HB3 SER 29 lone 1 68 - 2 - HB2 PRO 70 - HB2 SER 29 lone 1 68 - 2 - HB2 GLU 73 - HB3 SER 29 lone 1 63 - 2 - HB2 GLU 73 - HB2 SER 29 lone 1 63 - 2 - HB VAL 26 - HB3 SER 29 lone 1 76 - 1 - HB VAL 26 - HB2 SER 29 lone 1 76 - 1 - Peak 6579 from cnoeabs.peaks (4.16, 3.81, 63.22 ppm; 3.55 A): 2 out of 26 assignments used, quality = 0.79: HA GLU 28 + HB2 SER 29 OK 55 100 - 55 - 5505/3.9=22, 6544=15...(11) HA GLU 28 + HB3 SER 29 OK 55 100 - 55 - 5505/3.9=22, 6544=15...(11) HB2 SER 113 - HB3 SER 29 lone 8 97 - 8 - 5049/3.0=2, 106/3.9=1, ~5053=1 HA PRO 37 - HB3 SER 29 lone 8 83 - 10 - 106/3.9=2, 6675/1.8=1...(5) HB2 SER 113 - HB2 SER 29 lone 8 97 - 8 - 5049/3.0=2, 106/3.9=1, ~5053=1 HA PRO 37 - HB2 SER 29 lone 8 83 - 10 - 106/3.9=2, 6675/1.8=1...(5) HA ARG 92 - HB2 SER 29 lone 6 76 - 8 - 7592=2, 7592/1.8=1 HA ARG 92 - HB3 SER 29 lone 6 76 - 8 - 7592=2, 7592/1.8=1 HA PHE 83 - HB3 SER 29 lone 3 92 - 3 - 106/3.9=1 HA PHE 83 - HB2 SER 29 lone 3 92 - 3 - 106/3.9=1 HA GLU 56 - HB3 SER 29 lone 3 99 - 3 - HA GLU 56 - HB2 SER 29 lone 3 99 - 3 - HA PRO 68 - HB3 SER 29 lone 2 73 - 3 - HA PRO 68 - HB2 SER 29 lone 2 73 - 3 - HA SER 78 - HB3 SER 29 lone 2 100 - 2 - HA SER 78 - HB2 SER 29 lone 2 100 - 2 - HA ILE 63 - HB3 SER 29 lone 1 71 - 2 - HA ILE 63 - HB2 SER 29 lone 1 71 - 2 - HA ILE 124 - HB3 SER 29 lone 1 78 - 2 - HA ILE 124 - HB2 SER 29 lone 1 78 - 2 - HB3 SER 72 - HB3 SER 29 lone 1 73 - 2 - HB3 SER 72 - HB2 SER 29 lone 1 73 - 2 - HA ASN 108 - HB3 SER 29 lone 1 83 - 1 - HA ASN 108 - HB2 SER 29 lone 1 83 - 1 - HA ALA 98 - HB3 SER 29 lone 1 68 - 1 - HA ALA 98 - HB2 SER 29 lone 1 68 - 1 - Peak 6581 from cnoeabs.peaks (7.41, 4.50, 62.52 ppm; 4.06 A): 3 out of 6 assignments used, quality = 0.79: H LYS 32 + HA PRO 30 OK 58 100 - 58 - 6611/2.3=23, 6610/2.3=18...(11) H SER 72 + HA PRO 30 OK 36 99 - 36 - 6582/2.3=7, 1444/3.6=6...(12) H GLU 75 + HA PRO 30 OK 20 89 - 23 - 7304/2.3=5, 1444/3.6=4...(8) HD21 ASN 79 - HA PRO 30 lone 8 99 - 8 - 6582/2.3=2, 1444/3.6=2 HE21 GLN 105 - HA PRO 30 lone 6 93 - 6 - 6582/2.3=1, 1444/3.6=1 H PHE 96 - HA PRO 30 lone 3 83 - 3 - Peak 6582 from cnoeabs.peaks (7.41, 2.13, 31.87 ppm; 4.39 A): 4 out of 6 assignments used, quality = 0.94: H LYS 32 + HB2 PRO 30 OK 84 100 - 84 - 6611=32, 6610/1.8=21...(18) H SER 72 + HB2 PRO 30 OK 43 99 - 44 - 6581/2.3=11, 3.6/2367=6...(12) H GLU 75 + HB2 PRO 30 OK 29 89 - 33 - 7304=7, 6581/2.3=6...(12) HD21 ASN 79 + HB2 PRO 30 OK 11 99 - 11 - 6581/2.3=2, 1444/3.9=2 HE21 GLN 105 - HB2 PRO 30 lone 7 93 - 7 - 6581/2.3=2, 1444/3.9=1 H PHE 96 - HB2 PRO 30 lone 4 83 - 5 - Peak 6583 from cnoeabs.peaks (7.31, 2.13, 31.87 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.85: HZ PHE 40 + HB2 PRO 30 OK 79 95 - 83 - 4815=27, 4676/3.0=22...(13) HD1 TRP 20 + HB2 PRO 30 OK 30 81 - 37 - 6589/3.0=11, 6593/2.3=9...(6) HZ2 TRP 20 - HB2 PRO 30 poor 10 73 - 13 - 6.5/2373=4, 6591/2.3=3...(4) Peak 6584 from cnoeabs.peaks (7.22, 2.13, 31.87 ppm; 4.77 A): 3 out of 6 assignments used, quality = 0.84: QE PHE 40 + HB2 PRO 30 OK 75 100 - 75 - 2.2/6583=24, ~4676=15...(13) QD TYR 102 + HB2 PRO 30 OK 28 100 - 28 - 6585/1.8=5, 4743/2.3=3...(10) QD TYR 67 + HB2 PRO 30 OK 12 81 - 15 - 6585/1.8=3, 6586/2.3=2...(7) H LYS 65 - HB2 PRO 30 lone 10 99 - 10 - 6585/1.8=2, 6586/2.3=1 QE PHE 96 - HB2 PRO 30 poor 8 73 - 11 - ~6587=2, ~6593=2, ~6589=2 H VAL 26 - HB2 PRO 30 lone 1 63 - 2 - Peak 6585 from cnoeabs.peaks (7.21, 1.95, 31.87 ppm; 4.95 A): 6 out of 18 assignments used, quality = 0.95: QE PHE 40 + HB3 PRO 30 OK 83 97 - 85 - 6584/1.8=22, ~6583=19...(16) QD TYR 102 + HB3 PRO 30 OK 33 95 - 35 - 6584/1.8=8, 2.2/4757=4...(10) QD PHE 107 + HB3 PRO 30 OK 24 78 - 31 - 6586/2.3=4, ~7826=4...(12) QD TYR 67 + HB3 PRO 30 OK 19 97 - 19 - 6584/1.8=4, 6586/2.3=3...(7) QD TYR 102 + HB3 LYS 119 OK 15 79 - 19 - 2.2/4757=2, 4820/2.9=2...(5) H LYS 65 + HB3 PRO 30 OK 15 100 - 14 - 6584/1.8=3, 6586/2.3=2...(4) H LYS 65 - HB3 LYS 119 lone 7 87 - 8 - QD TYR 67 - HB3 LYS 119 lone 7 83 - 8 - QE PHE 40 - HB3 LYS 119 lone 6 83 - 7 - HE ARG 81 - HB2 ARG 71 poor 6 20 - 30 - 8565/3.6=4, ~3861=3...(15) QD PHE 107 - HB3 LYS 119 lone 5 63 - 8 - QD PHE 107 - HB2 ARG 71 poor 5 27 - 19 - 4772/3.0=4, 4813/3.6=3...(6) QE PHE 40 - HB2 ARG 71 lone 3 37 - 9 - 4832=1, 8559/3.6=1 QD TYR 67 - HB2 ARG 71 lone 3 37 - 8 - ~8312=1 QD TYR 102 - HB2 ARG 71 lone 3 35 - 9 - 8559/3.6=1 HE ARG 81 - HB3 PRO 30 lone 3 63 - 5 - HE ARG 81 - HB3 LYS 119 lone 3 49 - 5 - H LYS 65 - HB2 ARG 71 lone 2 40 - 4 - Peak 6586 from cnoeabs.peaks (7.21, 1.61, 26.76 ppm; 4.54 A): 8 out of 18 assignments used, quality = 0.93: QE PHE 40 + HG2 PRO 30 OK 71 90 - 79 - 2.2/6593=21, ~4676=16...(14) QD PHE 107 + HB3 GLN 42 OK 30 36 - 82 - ~6771=14, ~6773=14...(19) QD PHE 107 + HG2 PRO 30 OK 24 90 - 27 - ~7826=4, ~4782=3...(8) QD TYR 102 + HG2 PRO 30 OK 24 85 - 28 - 6584/2.3=5, 6585/2.3=4...(8) QD TYR 67 + HB3 GLN 42 OK 18 45 - 40 - 6774/1.8=7, 6780/3.0=6...(13) QD TYR 67 + HG2 PRO 30 OK 16 100 - 16 - 6585/2.3=2, 6584/2.3=2...(7) H LYS 65 + HG2 PRO 30 OK 11 97 - 11 - 6584/2.3=2, 6585/2.3=2 HE ARG 81 + HB3 GLN 42 OK 11 30 - 36 - 6774/1.8=6, 6780/3.0=6...(10) QE PHE 40 - HB3 GLN 42 poor 9 36 - 25 - 6772/3.0=3, 6774/1.8=3...(11) H LYS 65 - HB3 GLN 42 poor 7 42 - 17 - 6781/4.4=4, 6772/3.0=3...(6) QD TYR 102 - HB3 GLN 42 poor 4 33 - 13 - 6781/4.4=3, 6772/3.0=2...(6) HE ARG 81 - HG2 PRO 30 lone 3 78 - 4 - QE PHE 40 - HG LEU 126 lone 3 59 - 4 - QD PHE 107 - HG LEU 126 lone 2 59 - 4 - HE ARG 81 - HG LEU 126 lone 2 49 - 3 - QD TYR 102 - HG LEU 126 lone 1 54 - 3 - H LYS 65 - HG LEU 126 lone 1 66 - 2 - QD TYR 67 - HG LEU 126 lone 1 71 - 2 - Peak 6587 from cnoeabs.peaks (7.28, 3.77, 50.49 ppm; 5.14 A): 4 out of 5 assignments used, quality = 0.90: HZ PHE 40 + HD2 PRO 30 OK 76 97 - 78 - 4815/3.0=24, 6589/1.8=19...(13) HD1 TRP 20 + HD2 PRO 30 OK 38 100 - 38 - 4533/1.8=12, 4631/3.6=11...(6) HE ARG 71 + HD2 PRO 30 OK 22 60 - 37 - 3.6/2350=5, 3.6/2350=4...(18) QD PHE 96 + HD2 PRO 30 OK 18 97 - 19 - ~6605=3, 6593/2.3=3...(6) HE ARG 57 - HD2 PRO 30 lone 3 83 - 4 - Peak 6588 from cnoeabs.peaks (8.61, 3.69, 50.49 ppm; 5.16 A): 1 out of 4 assignments used, quality = 1.00: H SER 29 + HD3 PRO 30 OK 100 100 - 100 - 4.8=100 H ILE 34 - HD3 PRO 30 OK 26 73 - 35 - 5.0/6645=22, 6590/1.8=7...(6) H VAL 18 - HD3 PRO 30 OK 13 71 - 18 - 3.5/5967=4, 6590/1.8=3...(5) H ASN 106 - HD3 PRO 30 lone 3 73 - 4 - Peak 6589 from cnoeabs.peaks (7.30, 3.69, 50.49 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.89: HZ PHE 40 + HD3 PRO 30 OK 77 99 - 78 - 4676/1.8=28, 6593/2.3=23...(11) HD1 TRP 20 + HD3 PRO 30 OK 45 92 - 49 - 4533=10, 6593/2.3=9...(10) QD PHE 96 + HD3 PRO 30 OK 11 63 - 17 - 6593/2.3=3, 6587/1.8=3...(7) Peak 6590 from cnoeabs.peaks (8.60, 3.77, 50.49 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.99: H SER 29 + HD2 PRO 30 OK 99 99 - 100 - 4.8=100 H ILE 34 - HD2 PRO 30 OK 26 87 - 30 - 5.0/6597=16, 6588/1.8=7...(6) H VAL 18 - HD2 PRO 30 OK 11 85 - 13 - 6588/1.8=4, 2622/6597=2...(4) Peak 6591 from cnoeabs.peaks (7.32, 1.76, 26.76 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.78: HZ2 TRP 20 + HG LEU 117 OK 57 66 - 86 - 4651/2.1=26, ~4661=22...(17) HZ PHE 40 + HG3 PRO 30 OK 43 60 - 71 - 6583/2.3=19, 4676/2.3=16...(12) HZ2 TRP 20 + HG3 PRO 30 OK 13 99 - 13 - 6583/2.3=2, 2.5/6592=2...(4) HZ PHE 40 - HG LEU 117 poor 5 35 - 15 - 7997/2.1=4, 8411/2.1=2...(6) HZ2 TRP 20 - HG3 ARG 71 lone 4 70 - 6 - HZ PHE 40 - HG3 ARG 71 lone 3 37 - 8 - HZ2 TRP 20 - HG2 ARG 71 lone 3 53 - 5 - HZ PHE 40 - HG2 ARG 71 lone 2 27 - 7 - Peak 6592 from cnoeabs.peaks (6.78, 1.76, 26.76 ppm; 4.50 A): 8 out of 24 assignments used, quality = 0.87: HH2 TRP 20 + HG LEU 117 OK 55 66 - 84 - 4661/2.1=33, 4658/3.0=23...(16) H VAL 110 + HG LEU 117 OK 24 69 - 34 - 8000/2.1=8, 7994/3.0=7...(9) QE TYR 67 + HG LEU 117 OK 20 69 - 29 - 8000/2.1=7, 7994/3.0=6...(6) HE21 GLN 42 + HG3 PRO 30 OK 15 81 - 19 - 3.5/2855=3, 4.4/2831=3...(8) QE TYR 67 + HG3 PRO 30 OK 14 100 - 14 - ~6584=2, 4698=2...(5) H VAL 110 + HG3 PRO 30 OK 13 100 - 13 - 4.6/4897=2, 552/2.3=2...(6) HH2 TRP 20 + HG3 PRO 30 OK 13 99 - 13 - 2.5/6591=3, ~6583=2...(4) HE21 GLN 42 + HG3 ARG 71 OK 12 52 - 24 - 736/3.0=4, 4.4/2831=3...(11) HE21 GLN 42 - HG2 ARG 71 poor 9 38 - 23 - 736/3.0=4, 4.4/2831=3...(11) HE21 GLN 42 - HG LEU 117 poor 7 49 - 13 - 4.4/2831=2, 3.5/2855=1...(5) QE TYR 67 - HG3 ARG 71 lone 6 73 - 9 - 4698=1 H LEU 27 - HG LEU 117 poor 5 36 - 13 - 4.0/8011=2, 4.1/8219=1...(4) H VAL 110 - HG3 ARG 71 lone 4 72 - 6 - QE TYR 67 - HG2 ARG 71 lone 4 55 - 8 - 4698=1, 4698/1.8=1 HH2 TRP 20 - HG3 ARG 71 lone 4 70 - 6 - 2.5/6591=1 H LEU 27 - HG3 PRO 30 lone 3 63 - 5 - H VAL 110 - HG2 ARG 71 lone 3 55 - 5 - HH2 TRP 20 - HG2 ARG 71 lone 3 53 - 5 - HD22 ASN 99 - HG3 PRO 30 lone 2 76 - 3 - H LEU 27 - HG3 ARG 71 lone 2 39 - 5 - H LEU 27 - HG2 ARG 71 lone 1 28 - 5 - 4.1/8219=1 HD22 ASN 99 - HG LEU 117 lone 1 45 - 3 - HD22 ASN 99 - HG3 ARG 71 lone 1 48 - 2 - HD22 ASN 99 - HG2 ARG 71 lone 1 36 - 2 - Peak 6593 from cnoeabs.peaks (7.30, 1.61, 26.76 ppm; 4.47 A): 3 out of 9 assignments used, quality = 0.83: HZ PHE 40 + HG2 PRO 30 OK 73 99 - 74 - 4676/2.3=23, 6583/2.3=21...(12) HD1 TRP 20 + HG2 PRO 30 OK 30 92 - 33 - 6589/2.3=11, 6583/2.3=8...(5) QD PHE 96 + HG2 PRO 30 OK 11 63 - 17 - 2.4/6605=4, 6589/2.3=3...(6) HZ PHE 40 - HB3 GLN 42 poor 9 43 - 20 - 4677=3, 4678/1.8=2...(9) HZ PHE 40 - HG LEU 126 lone 3 69 - 4 - HD1 TRP 20 - HB3 GLN 42 lone 2 37 - 6 - 2051/3.0=3 HD1 TRP 20 - HG LEU 126 lone 1 60 - 2 - QD PHE 96 - HG LEU 126 lone 1 38 - 2 - QD PHE 96 - HB3 GLN 42 lone 1 22 - 4 - Peak 6594 from cnoeabs.peaks (7.21, 1.76, 26.76 ppm; 4.94 A): 3 out of 24 assignments used, quality = 0.92: QE PHE 40 + HG3 PRO 30 OK 84 97 - 86 - 6584/2.3=20, ~4676=18...(16) QD TYR 102 + HG3 PRO 30 OK 34 95 - 36 - 6584/2.3=7, 6585/2.3=5...(9) QD PHE 107 + HG3 PRO 30 OK 27 78 - 34 - 6586/1.8=4, ~7826=4...(11) QD TYR 67 - HG LEU 117 OK 22 64 - 34 - ~8000=6, ~7994=5...(10) QD TYR 67 - HG3 PRO 30 OK 20 97 - 20 - 6584/2.3=3, 6586/1.8=3...(5) H LYS 65 - HG LEU 117 OK 17 69 - 24 - ~8015=4, 304/3.0=4...(7) H LYS 65 - HG3 PRO 30 OK 15 100 - 15 - 6584/2.3=3, 6585/2.3=2 QD PHE 107 - HG LEU 117 OK 15 47 - 31 - 4800/3.0=3, 4615/3.6=3...(12) HE ARG 81 - HG3 ARG 71 OK 14 39 - 36 - 8565/3.0=4, ~4158=3...(18) QE PHE 40 - HG LEU 117 OK 14 64 - 22 - ~7997=6, ~8411=2...(9) QD PHE 107 - HG3 ARG 71 OK 13 50 - 26 - 4813/3.0=4, 4772/4.0=3...(8) HE ARG 81 - HG2 ARG 71 OK 10 28 - 36 - 8565/3.0=4, ~4158=3...(18) QD PHE 107 - HG2 ARG 71 poor 9 37 - 25 - 4813/3.0=4, 4772/4.0=3...(8) QD TYR 67 - HG3 ARG 71 poor 8 68 - 12 - 2.2/6592=1, 4687=1 QD TYR 102 - HG3 ARG 71 poor 7 65 - 11 - 8559/3.0=1, 8558/3.0=1 QE PHE 40 - HG3 ARG 71 poor 7 68 - 10 - 8559/3.0=1, 6584/2371=1 QD TYR 102 - HG LEU 117 poor 6 61 - 10 - QD TYR 67 - HG2 ARG 71 poor 6 51 - 11 - 4687/1.8=1, 4687=1 QD TYR 102 - HG2 ARG 71 lone 5 49 - 10 - 8559/3.0=1, 8558/3.0=1 QE PHE 40 - HG2 ARG 71 lone 5 51 - 9 - 8559/3.0=1 H LYS 65 - HG3 ARG 71 lone 5 72 - 6 - H LYS 65 - HG2 ARG 71 lone 3 55 - 6 - HE ARG 81 - HG3 PRO 30 lone 3 63 - 5 - HE ARG 81 - HG LEU 117 lone 1 36 - 4 - Peak 6595 from cnoeabs.peaks (0.91, 3.77, 50.49 ppm; 4.66 A): 4 out of 13 assignments used, quality = 0.98: QG2 ILE 22 + HD2 PRO 30 OK 74 97 - 76 - 6433/3.8=23, ~6439=19...(13) QG2 VAL 115 + HD2 PRO 30 OK 69 97 - 71 - 7972=17, 2.1/2347=9...(21) HB2 GLN 42 + HD2 PRO 30 OK 50 100 - 50 - 4.0/1593=6, 6598/1.8=5...(28) QD1 LEU 117 + HD2 PRO 30 OK 45 100 - 45 - 7086=5, 6598/1.8=5...(21) QD1 LEU 126 - HD2 PRO 30 OK 28 99 - 27 - 6598/1.8=3, ~2387=3...(11) QD2 LEU 27 - HD2 PRO 30 OK 22 98 - 23 - 6569/4.8=4, 6573/3.8=3...(6) QD1 LEU 41 - HD2 PRO 30 OK 22 87 - 25 - 4.9/1593=5, 3.1/6008=4...(7) QD1 LEU 27 - HD2 PRO 30 OK 21 96 - 22 - 6569/4.8=4, 6598/1.8=3...(7) QD2 LEU 41 - HD2 PRO 30 OK 15 71 - 21 - 4.9/1593=5, 3.1/6008=4...(6) QD1 LEU 55 - HD2 PRO 30 OK 10 81 - 12 - 2.1/7083=2, 6569/4.8=1...(4) QD1 ILE 63 - HD2 PRO 30 poor 8 65 - 11 - QG2 VAL 49 - HD2 PRO 30 lone 6 99 - 6 - QD1 ILE 124 - HD2 PRO 30 lone 2 65 - 3 - Peak 6596 from cnoeabs.peaks (0.80, 3.77, 50.49 ppm; 3.87 A): 4 out of 7 assignments used, quality = 0.92: QD1 ILE 22 + HD2 PRO 30 OK 69 100 - 69 - 6439/1.8=28, 6437/3.8=19...(12) QD2 LEU 91 + HD2 PRO 30 OK 46 93 - 49 - 7587=9, 6599/1.8=7...(14) QG1 VAL 115 + HD2 PRO 30 OK 34 63 - 54 - 2.1/7972=14, 6599/1.8=8...(18) QD1 LEU 111 + HD2 PRO 30 OK 25 100 - 25 - 7900=6, 6599/1.8=3...(8) QD1 LEU 93 - HD2 PRO 30 poor 8 65 - 12 - 8525/3.8=2, 6599/1.8=1 HB2 ASN 118 - HD2 PRO 30 lone 4 83 - 4 - QG2 VAL 66 - HD2 PRO 30 lone 3 60 - 6 - Peak 6597 from cnoeabs.peaks (0.17, 3.77, 50.49 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 34 + HD2 PRO 30 OK 94 99 - 94 - 6645/1.8=37, 6647/3.0=25...(23) QD2 LEU 51 + HD2 PRO 30 OK 56 90 - 62 - 6600/1.8=15, 6604/3.0=12...(17) Peak 6598 from cnoeabs.peaks (0.92, 3.69, 50.49 ppm; 4.67 A): 3 out of 11 assignments used, quality = 0.96: QG2 ILE 22 + HD3 PRO 30 OK 77 100 - 77 - 3.0/6439=28, 6433/3.8=23...(13) QG2 VAL 115 + HD3 PRO 30 OK 69 100 - 70 - 7972/1.8=19, 2.1/2354=10...(21) HB2 GLN 42 + HD3 PRO 30 OK 48 100 - 48 - 6595/1.8=5, 2831/2.3=4...(28) QD1 LEU 117 - HD3 PRO 30 OK 41 97 - 43 - 6595/1.8=5, 2.1/2394=5...(20) QD1 LEU 126 - HD3 PRO 30 OK 27 97 - 27 - 2.1/2387=4, 6595/1.8=3...(11) QD1 LEU 27 - HD3 PRO 30 OK 23 99 - 23 - 8729/4.8=4, 8411/6589=3...(7) QD2 LEU 27 - HD3 PRO 30 OK 22 100 - 23 - 6535/6589=4, 6569/4.8=4...(6) QD1 LEU 41 - HD3 PRO 30 OK 18 95 - 19 - ~6008=3, 8729/4.8=2...(6) QD1 LEU 55 - HD3 PRO 30 OK 10 90 - 11 - 6569/4.8=1, 6573/3.8=1...(5) QD1 ILE 63 - HD3 PRO 30 poor 8 78 - 10 - QG2 VAL 49 - HD3 PRO 30 lone 6 100 - 5 - Peak 6599 from cnoeabs.peaks (0.81, 3.69, 50.49 ppm; 3.82 A): 5 out of 7 assignments used, quality = 0.94: QD1 ILE 22 + HD3 PRO 30 OK 73 99 - 74 - 6439=35, 6437/3.8=18...(12) QG1 VAL 115 + HD3 PRO 30 OK 43 81 - 54 - ~7972=10, 2.1/2354=6...(19) QD2 LEU 91 + HD3 PRO 30 OK 39 99 - 40 - 6596/1.8=9, 4401/3.6=5...(13) HG13 ILE 22 + HD3 PRO 30 OK 29 60 - 48 - 2.1/6439=26, ~6596=8...(10) QD1 LEU 111 + HD3 PRO 30 OK 17 96 - 17 - 7900/1.8=5, 6574/3.8=2...(6) QD1 LEU 93 - HD3 PRO 30 lone 8 83 - 9 - 8525/3.8=2, 6596/1.8=2 HB2 ASN 118 - HD3 PRO 30 lone 4 95 - 4 - Peak 6600 from cnoeabs.peaks (0.17, 3.69, 50.49 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 34 + HD3 PRO 30 OK 94 99 - 95 - 6645=43, 6647/3.0=24...(23) QD2 LEU 51 + HD3 PRO 30 OK 54 90 - 60 - 6597/1.8=14, 6604/3.0=11...(17) Peak 6601 from cnoeabs.peaks (0.17, 1.76, 26.76 ppm; 4.80 A): 2 out of 8 assignments used, quality = 0.95: QD1 ILE 34 + HG3 PRO 30 OK 88 97 - 91 - 6645/2.3=30, 6647/2.3=25...(18) QD2 LEU 51 + HG3 PRO 30 OK 58 97 - 60 - 6600/2.3=13, 6597/2.3=13...(18) QD1 ILE 34 - HG3 ARG 71 OK 16 67 - 24 - 6649=3, 6649/1.8=3...(11) QD1 ILE 34 - HG LEU 117 OK 12 63 - 19 - 6649=3, 2.1/6653=2...(6) QD1 ILE 34 - HG2 ARG 71 OK 11 51 - 23 - 6649=3, 6649/1.8=3...(11) QD2 LEU 51 - HG LEU 117 poor 10 63 - 15 - 6931/2.1=7 QD2 LEU 51 - HG3 ARG 71 lone 6 67 - 9 - QD2 LEU 51 - HG2 ARG 71 lone 4 51 - 8 - Peak 6602 from cnoeabs.peaks (0.80, 1.76, 26.76 ppm; 4.68 A): 4 out of 28 assignments used, quality = 0.92: QD1 ILE 22 + HG3 PRO 30 OK 62 100 - 62 - 6439/2.3=32, 6596/2.3=16...(9) QD2 LEU 91 + HG3 PRO 30 OK 48 92 - 53 - 6596/2.3=11, 6599/2.3=8...(18) QG1 VAL 115 + HG3 PRO 30 OK 39 60 - 65 - ~7972=12, 6599/2.3=9...(18) QD2 LEU 91 + HG LEU 117 OK 32 58 - 54 - 8369/2.1=13, 7590/4.8=7...(20) QD1 LEU 111 - HG3 PRO 30 OK 22 100 - 22 - 7900/2.3=6, 7910/2.3=4...(5) QD1 LEU 111 - HG LEU 117 OK 20 69 - 29 - 7908/3.0=4, ~8010=3...(13) HB2 ASN 118 - HG LEU 117 OK 17 49 - 36 - 4.0/600=8, 3.0/8024=8...(9) QG2 VAL 66 - HG LEU 117 OK 17 36 - 48 - ~8012=7, ~7178=5...(22) QD1 LEU 93 - HG LEU 117 OK 17 36 - 48 - 7607/3.6=11, 8378/2.1=9...(14) QD2 LEU 91 - HG3 ARG 71 OK 13 62 - 21 - 4402/3.0=3, 4401/4.0=2...(6) QD1 ILE 22 - HG LEU 117 OK 13 69 - 18 - ~8554=2, 2178/2.1=1...(6) QD2 LEU 91 - HG2 ARG 71 OK 10 46 - 22 - 4402/3.0=3, 4401/4.0=2...(10) QG1 VAL 115 - HG LEU 117 poor 7 35 - 20 - 8001/4.8=3, 8003/3.6=2...(10) QD1 LEU 93 - HG3 PRO 30 poor 6 63 - 10 - 6596/2.3=2, 6599/2.3=2 QG2 VAL 66 - HG3 PRO 30 lone 6 63 - 9 - HB2 ASN 118 - HG3 PRO 30 lone 6 81 - 7 - 4.0/600=1, 3.0/8024=1 QG2 VAL 66 - HG3 ARG 71 poor 5 39 - 12 - 2.1/3672=1, 7188/3.0=1 QD1 ILE 22 - HG3 ARG 71 lone 4 73 - 6 - 6439/2394=2 QG2 VAL 66 - HG2 ARG 71 poor 3 28 - 12 - 2.1/3672=1, 7188/3.0=1 QD1 LEU 111 - HG3 ARG 71 lone 3 72 - 5 - QD1 ILE 22 - HG2 ARG 71 lone 3 56 - 5 - 6439/2394=1 QD1 LEU 111 - HG2 ARG 71 lone 2 55 - 4 - QD1 LEU 93 - HG3 ARG 71 lone 1 39 - 4 - QG1 VAL 115 - HG3 ARG 71 lone 1 37 - 3 - QD1 LEU 93 - HG2 ARG 71 lone 1 28 - 4 - HB2 ASN 118 - HG3 ARG 71 lone 1 52 - 2 - QG1 VAL 115 - HG2 ARG 71 lone 1 27 - 3 - HB2 ASN 118 - HG2 ARG 71 lone 1 38 - 2 - Peak 6603 from cnoeabs.peaks (0.18, 2.13, 31.87 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 34 + HB2 PRO 30 OK 93 100 - 93 - 6647=35, 6645/3.0=28...(20) QD2 LEU 51 + HB2 PRO 30 OK 45 78 - 57 - 6604/1.8=12, 6600/3.0=11...(19) Peak 6604 from cnoeabs.peaks (0.17, 1.95, 31.87 ppm; 4.88 A): 2 out of 6 assignments used, quality = 0.95: QD1 ILE 34 + HB3 PRO 30 OK 89 97 - 92 - 6645/3.0=28, 6647/1.8=28...(19) QD2 LEU 51 + HB3 PRO 30 OK 59 97 - 61 - 6603/1.8=12, 6600/3.0=12...(18) QD2 LEU 51 - HB3 LYS 119 OK 10 82 - 13 - 5609/4.0=3, ~6272=2 QD1 ILE 34 - HB3 LYS 119 poor 10 82 - 12 - 6645/2380=2, 6648=2, 6647/2369=1 QD1 ILE 34 - HB2 ARG 71 poor 7 37 - 18 - 6601/3.0=3, 6649/3.0=2...(9) QD2 LEU 51 - HB2 ARG 71 lone 3 37 - 7 - Peak 6605 from cnoeabs.peaks (2.93, 1.61, 26.76 ppm; 4.71 A): 3 out of 15 assignments used, quality = 0.72: HE3 LYS 32 + HG2 PRO 30 OK 43 100 - 43 - 6.3/6607=7, 4.7/2501=4...(21) HE2 LYS 32 + HG2 PRO 30 OK 43 100 - 43 - 6.3/6607=7, 4.7/2501=4...(21) HB3 PHE 96 + HG2 PRO 30 OK 14 100 - 14 - 2.4/6593=3, 7636/1.8=3...(5) HG3 GLU 82 - HG2 PRO 30 lone 3 81 - 4 - HE3 LYS 32 - HG LEU 126 lone 3 71 - 4 - HE2 LYS 32 - HG LEU 126 lone 3 71 - 4 - HE3 LYS 32 - HB3 GLN 42 lone 3 45 - 5 - HE2 LYS 32 - HB3 GLN 42 lone 2 45 - 5 - HB2 ASN 106 - HG2 PRO 30 lone 2 73 - 3 - HB2 ASN 106 - HB3 GLN 42 lone 1 27 - 4 - 7808/4.6=1 HB3 PHE 96 - HG LEU 126 lone 1 71 - 1 - HG3 GLU 82 - HB3 GLN 42 lone 1 31 - 3 - HB3 PHE 96 - HB3 GLN 42 lone 1 45 - 2 - HG3 GLU 82 - HG LEU 126 lone 1 51 - 2 - HB2 ASN 106 - HG LEU 126 lone 1 45 - 1 - Peak 6606 from cnoeabs.peaks (0.16, 1.61, 26.76 ppm; 5.28 A): 2 out of 12 assignments used, quality = 0.95: QD1 ILE 34 + HG2 PRO 30 OK 84 89 - 95 - 6645/2.3=32, 6647/2.3=26...(19) QD2 LEU 51 + HG2 PRO 30 OK 66 100 - 66 - 6600/2.3=14, 6597/2.3=14...(21) QD2 LEU 51 - HB3 GLN 42 OK 13 44 - 29 - ~6786=5, ~6936=4...(11) QD1 ILE 34 - HB3 GLN 42 poor 8 35 - 22 - 6649/3.0=2, 2.1/8248=2...(8) QG1 VAL 110 - HG2 PRO 30 poor 8 71 - 11 - 7882/3.8=1, 7877/2.3=1 QD2 LEU 84 - HG2 PRO 30 lone 6 71 - 8 - QD1 ILE 34 - HG LEU 126 lone 4 57 - 6 - 6645/2387=1 QD2 LEU 51 - HG LEU 126 lone 3 70 - 4 - QG1 VAL 110 - HB3 GLN 42 lone 2 26 - 9 - 4980/4.4=1 QD2 LEU 84 - HB3 GLN 42 lone 1 26 - 6 - QG1 VAL 110 - HG LEU 126 lone 1 43 - 3 - QD2 LEU 84 - HG LEU 126 lone 1 43 - 3 - Peak 6607 from cnoeabs.peaks (4.43, 1.61, 26.76 ppm; 4.24 A): 3 out of 12 assignments used, quality = 0.92: HA LYS 32 + HG2 PRO 30 OK 76 99 - 77 - 6609/2.3=16, 6608/2.3=15...(27) HA SER 29 + HG2 PRO 30 OK 65 100 - 65 - 6571/2.3=42, 6608/2.3=24...(7) HA SER 113 + HG2 PRO 30 OK 12 98 - 12 - 6608/2.3=3, 6609/2.3=3 HA SER 29 - HG LEU 126 poor 9 71 - 13 - 3.8/2387=3, 6573/2.1=2...(4) HA SER 29 - HB3 GLN 42 poor 6 45 - 12 - 3.8/2387=2, 6573/1.8=2...(5) HA THR 121 - HG2 PRO 30 lone 5 83 - 6 - 3.0/8081=1, 6609/2.3=1 HA LYS 32 - HB3 GLN 42 lone 4 43 - 9 - HA LYS 32 - HG LEU 126 lone 4 69 - 5 - HA THR 121 - HG LEU 126 lone 2 52 - 4 - 3.0/8081=1 HA THR 121 - HB3 GLN 42 lone 1 32 - 4 - HA SER 113 - HG LEU 126 lone 1 67 - 1 - HA SER 113 - HB3 GLN 42 lone 1 42 - 1 - Peak 6608 from cnoeabs.peaks (4.44, 3.77, 50.49 ppm; 3.35 A): 3 out of 5 assignments used, quality = 0.93: HA SER 29 + HD2 PRO 30 OK 83 100 - 83 - 3.8=70, 6571/1.8=35...(4) HA LYS 32 + HD2 PRO 30 OK 53 96 - 56 - 6609/1.8=13, 6607/2.3=9...(26) HA SER 113 + HD2 PRO 30 OK 10 100 - 10 - 6609/1.8=2, 6607/2.3=1 HA SER 90 - HD2 PRO 30 lone 3 63 - 5 - 3.0/1719=1 HA THR 121 - HD2 PRO 30 lone 3 71 - 4 - Peak 6609 from cnoeabs.peaks (4.43, 3.69, 50.49 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.90: HA SER 29 + HD3 PRO 30 OK 78 100 - 79 - 3.8=69, 6608/1.8=19...(4) HA LYS 32 + HD3 PRO 30 OK 54 99 - 55 - 6608/1.8=12, 6607/2.3=9...(24) HA SER 113 - HD3 PRO 30 lone 9 98 - 9 - 6608/1.8=2, 6607/2.3=1 HA THR 121 - HD3 PRO 30 lone 3 83 - 4 - Peak 6615 from cnoeabs.peaks (1.64, 3.86, 63.00 ppm; 4.32 A): 3 out of 45 assignments used, quality = 0.97: HB3 LYS 32 + HA THR 33 OK 82 100 - 82 - 5528/2.9=17, ~129=13...(22) HB ILE 34 + HA THR 33 OK 69 97 - 71 - 2594/3.6=22, 2599/3.2=11...(15) HD2 LYS 32 + HA THR 33 OK 43 68 - 64 - ~130=7, 3.5/8753=7...(21) HD3 LYS 32 - HA THR 33 OK 43 68 - 64 - ~130=7, 3.5/8753=7...(21) HB ILE 34 - HB2 SER 35 OK 34 89 - 38 - ~6657=17, 3.2/8184=6...(8) HG LEU 51 - HA THR 33 OK 13 100 - 13 - 917/3.6=4, 2.1/8184=3...(5) HG LEU 27 - HB2 SER 13 OK 13 82 - 16 - ~6289=3, 2.1/6288=3...(7) HG2 ARG 53 - HB2 SER 13 OK 12 60 - 20 - ~8690=3, ~8689=2...(11) HG2 PRO 30 - HA THR 33 OK 11 76 - 15 - ~130=2, 134/2.9=2...(6) HB3 GLN 42 - HA THR 33 OK 11 100 - 11 - 3.0/6799=1, 1.8/6288=1...(6) HG LEU 101 - HA THR 33 poor 10 89 - 10 - 6618/3.2=1, 2.1/2578=1...(4) HG LEU 27 - HA THR 33 poor 9 90 - 10 - 917/3.6=3, 2.1/6288=1 HG3 ARG 85 - HA THR 33 lone 7 98 - 8 - 917/3.6=3 HB ILE 34 - HB2 SER 13 lone 7 89 - 8 - 3.2/8184=2, 2.1/6293=1 HD2 LYS 31 - HA THR 33 lone 7 92 - 8 - 131/2.9=1 HD3 LYS 31 - HA THR 33 lone 7 92 - 8 - 131/2.9=1 HB3 LEU 41 - HB2 SER 13 lone 7 74 - 9 - 6008/1.8=2, ~6289=1...(4) HB3 GLN 42 - HB2 SER 13 lone 7 95 - 7 - ~6289=1, 3.0/6799=1, 1.8/6288=1 HB3 LEU 41 - HA THR 33 lone 7 83 - 8 - 917/3.6=2, 131/2.9=1 HG2 PRO 30 - HB2 SER 13 lone 6 67 - 10 - ~2372=1, ~2358=1, 2386/1.8=1 HB3 LYS 32 - HB2 SER 35 lone 5 94 - 6 - 4.7/2575=1 HG2 ARG 53 - HA THR 33 lone 5 68 - 7 - HG2 PRO 30 - HB2 SER 35 lone 5 67 - 7 - HG LEU 27 - HB2 SER 35 lone 4 82 - 5 - HB3 LYS 32 - HB2 SER 13 lone 4 94 - 4 - HB3 GLN 42 - HB2 SER 35 lone 3 95 - 4 - HB3 LEU 41 - HB2 SER 35 lone 3 74 - 5 - 6008/1.8=1 HG LEU 51 - HB2 SER 35 lone 3 95 - 3 - HB2 LEU 59 - HA THR 33 lone 3 96 - 3 - HG LEU 51 - HB2 SER 13 lone 3 94 - 3 - HG LEU 101 - HB2 SER 35 lone 2 80 - 3 - ~6656=1 HG LEU 101 - HB2 SER 13 lone 2 80 - 3 - HD2 LYS 31 - HB2 SER 13 lone 2 83 - 3 - HD3 LYS 31 - HB2 SER 13 lone 2 83 - 3 - HB2 LEU 59 - HB2 SER 13 lone 2 88 - 2 - HG3 ARG 85 - HB2 SER 35 lone 2 91 - 2 - HD2 LYS 32 - HB2 SER 35 lone 2 60 - 3 - HD3 LYS 32 - HB2 SER 35 lone 2 60 - 3 - HB2 LEU 59 - HB2 SER 35 lone 2 88 - 2 - HG3 ARG 85 - HB2 SER 13 lone 1 91 - 2 - HD2 LYS 32 - HB2 SER 13 lone 1 60 - 2 - HD3 LYS 32 - HB2 SER 13 lone 1 60 - 2 - HD3 LYS 31 - HB2 SER 35 lone 1 84 - 1 - HD2 LYS 31 - HB2 SER 35 lone 1 84 - 1 - HG2 ARG 53 - HB2 SER 35 lone 1 60 - 1 - Peak 6616 from cnoeabs.peaks (1.63, 3.86, 69.24 ppm; 4.16 A): 4 out of 18 assignments used, quality = 0.93: HB3 LYS 32 + HB THR 33 OK 61 99 - 62 - 3.0/6617=22, 4.7/2579=17...(12) HB ILE 34 + HB THR 33 OK 56 90 - 62 - 3.9/5536=22, 2599/2.1=12...(12) HD2 LYS 32 + HB THR 33 OK 34 81 - 43 - 5.0/6617=14, 3.5/8753=5...(12) HD3 LYS 32 + HB THR 33 OK 34 81 - 43 - 5.0/6617=14, 3.5/8753=5...(12) HG2 PRO 30 - HB THR 33 poor 10 87 - 11 - 6607/6617=3, 135/4.0=2 HG LEU 51 - HB THR 33 lone 9 100 - 9 - 917/4.6=3, 6618/2.1=2, ~8184=2 HG LEU 101 - HB THR 33 lone 8 96 - 8 - 6618/2.1=1, 2.1/2582=1 HB3 GLN 42 - HB THR 33 lone 8 100 - 8 - HG2 ARG 53 - HB THR 33 lone 5 81 - 6 - HG LEU 27 - HB THR 33 lone 5 81 - 6 - 917/4.6=2 HG3 ARG 85 - HB THR 33 lone 5 93 - 5 - 917/4.6=2 HD2 LYS 31 - HB THR 33 lone 5 97 - 5 - HD3 LYS 31 - HB THR 33 lone 5 97 - 5 - HB3 LEU 41 - HB THR 33 lone 4 71 - 5 - 917/4.6=1 HB2 LEU 59 - HB THR 33 lone 2 99 - 2 - HG12 ILE 63 - HB THR 33 lone 1 60 - 2 - HB3 LEU 126 - HB THR 33 lone 1 63 - 1 - HB2 LEU 126 - HB THR 33 lone 1 60 - 1 - Peak 6617 from cnoeabs.peaks (4.42, 3.86, 69.24 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.65: HA LYS 32 + HB THR 33 OK 60 99 - 61 - 3.6/2579=24, 8752=13...(13) HA SER 29 + HB THR 33 OK 11 87 - 13 - 129/4.0=4, 2.9/5536=2...(4) HA THR 121 - HB THR 33 lone 7 99 - 7 - 129/4.0=2 HA SER 113 - HB THR 33 lone 3 76 - 3 - 129/4.0=1 Peak 6618 from cnoeabs.peaks (1.63, 1.05, 21.50 ppm; 4.40 A): 7 out of 18 assignments used, quality = 0.93: HB ILE 34 + QG2 THR 33 OK 66 90 - 73 - 3.9/5537=24, 2.1/2606=13...(13) HB3 LYS 32 + QG2 THR 33 OK 53 99 - 54 - 4.7/2583=17, ~6617=15...(11) HD2 LYS 32 + QG2 THR 33 OK 23 81 - 28 - 6616/2.1=5, 135/4.0=5...(9) HD3 LYS 32 + QG2 THR 33 OK 23 81 - 28 - 6616/2.1=5, 135/4.0=5...(9) HG LEU 51 + QG2 THR 33 OK 12 100 - 12 - 917/4.2=3, ~8184=2...(5) HG LEU 101 + QG2 THR 33 OK 11 96 - 11 - 6616/2.1=1, 4671=1 HG2 PRO 30 + QG2 THR 33 OK 10 87 - 12 - 135/4.0=2, 8249=2...(5) HB3 GLN 42 - QG2 THR 33 lone 7 100 - 7 - 6616/2.1=1 HG LEU 27 - QG2 THR 33 lone 7 81 - 8 - 917/4.2=2 HG3 ARG 85 - QG2 THR 33 lone 6 93 - 7 - 917/4.2=2 HG2 ARG 53 - QG2 THR 33 lone 4 81 - 5 - HB3 LEU 41 - QG2 THR 33 lone 4 71 - 6 - 917/4.2=2 HD3 LYS 31 - QG2 THR 33 lone 4 97 - 4 - HD2 LYS 31 - QG2 THR 33 lone 4 97 - 4 - HB2 LEU 59 - QG2 THR 33 lone 2 99 - 2 - HG12 ILE 63 - QG2 THR 33 lone 1 60 - 2 - HB3 LEU 126 - QG2 THR 33 lone 1 63 - 2 - HB2 LEU 126 - QG2 THR 33 lone 1 60 - 2 - Peak 6619 from cnoeabs.peaks (4.39, 1.05, 21.50 ppm; 4.41 A): 0 out of 6 assignments used, low quality = 0.42: HA SER 35 - QG2 THR 33 OK 31 95 - 34 - 6656=19, 2630/2.1=4...(6) HA GLN 105 - QG2 THR 33 OK 15 97 - 15 - 2.9/2583=4, ~2579=3...(6) HA THR 121 - QG2 THR 33 lone 4 78 - 5 - 6617/2.1=1, 129/4.0=1 HB THR 116 - QG2 THR 33 lone 2 87 - 2 - HA LEU 93 - QG2 THR 33 lone 2 99 - 2 - HA MET 11 - QG2 THR 33 lone 1 76 - 2 - Peak 6620 from cnoeabs.peaks (8.49, 0.50, 17.36 ppm; 3.91 A): 3 out of 9 assignments used, quality = 0.94: H PHE 40 + QG2 ILE 34 OK 84 99 - 85 - 6736=47, 3.0/6735=24...(13) H GLU 38 + QG2 ILE 34 OK 48 73 - 65 - 3.6/6673=31, 3.9/6681=17...(13) H TYR 102 + QG2 ILE 34 OK 26 87 - 30 - 2.9/6641=4, 4.5/6623=3...(12) H LEU 77 - QG2 ILE 34 OK 25 95 - 26 - 4.0/6634=4, 1143/3.2=3...(9) H GLU 28 - QG2 ILE 34 OK 25 100 - 25 - 102/2.1=5, 6628/3.0=3...(7) H LEU 84 - QG2 ILE 34 OK 21 100 - 21 - 4.6/6624=3, 410/4671=3...(8) H GLY 2 - QG2 ILE 34 OK 11 98 - 11 - 3.0/2602=2, 3.0/2602=2...(4) H LYS 31 - QG2 ILE 34 lone 9 100 - 9 - 6628/3.0=3 H SER 13 - QG2 ILE 34 lone 8 100 - 8 - Peak 6621 from cnoeabs.peaks (8.09, 0.50, 17.36 ppm; 4.94 A): 6 out of 6 assignments used, quality = 0.91: H THR 33 + QG2 ILE 34 OK 66 93 - 71 - 4.6/918=32, 4.0/2606=12...(16) H GLY 39 + QG2 ILE 34 OK 46 98 - 47 - 4.6/6736=30, 4.6/6620=6...(8) H SER 78 + QG2 ILE 34 OK 27 93 - 28 - 4.3/6634=6, 371/3.2=4...(9) H GLN 105 + QG2 ILE 34 OK 14 100 - 14 - 138/4.0=2, 158/6736=2...(6) HD22 ASN 79 + QG2 ILE 34 OK 13 83 - 16 - 138/4.0=3, 158/6736=2 H LEU 24 + QG2 ILE 34 OK 12 100 - 12 - 3.9/6634=2, 862/8395=2...(4) Peak 6622 from cnoeabs.peaks (7.87, 0.50, 17.36 ppm; 4.76 A): 3 out of 4 assignments used, quality = 0.94: H ASP 36 + QG2 ILE 34 OK 90 100 - 91 - 6661=49, 2.9/6625=35...(7) H GLN 103 + QG2 ILE 34 OK 23 83 - 28 - 3.6/6641=5, 4.7/6623=5...(10) H PHE 83 + QG2 ILE 34 OK 13 63 - 21 - 4.6/6624=5, 3.0/6642=4...(7) H GLY 88 - QG2 ILE 34 lone 9 93 - 10 - Peak 6623 from cnoeabs.peaks (7.20, 0.50, 17.36 ppm; 4.34 A): 5 out of 6 assignments used, quality = 0.84: QE PHE 40 + QG2 ILE 34 OK 68 76 - 90 - 2.2/4671=37, 4.4/6740=24...(15) QD TYR 102 + QG2 ILE 34 OK 24 68 - 35 - 6630/3.0=5, 3.7/6641=4...(15) QD PHE 107 + QG2 ILE 34 OK 18 98 - 18 - 6630/3.0=5, 4806/8395=2...(5) QD TYR 67 + QG2 ILE 34 OK 13 100 - 13 - 6630/3.0=3, 4685/3.2=1 H LYS 65 + QG2 ILE 34 OK 11 89 - 12 - 6630/3.0=3, 6350/8395=1 HE ARG 81 - QG2 ILE 34 lone 2 92 - 3 - Peak 6624 from cnoeabs.peaks (7.12, 0.50, 17.36 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.93: QD PHE 40 + QG2 ILE 34 OK 92 100 - 92 - 4671=34, 2.5/6740=27...(19) QD PHE 83 + QG2 ILE 34 OK 21 100 - 21 - 6631/3.0=3, 941/6736=2...(12) HE ARG 53 - QG2 ILE 34 poor 9 87 - 11 - 2755/6740=2, 6632/3.2=1...(6) HE ARG 92 - QG2 ILE 34 lone 5 96 - 5 - H LEU 93 - QG2 ILE 34 lone 3 65 - 5 - 6631/3.0=1, 6699/6673=1 Peak 6625 from cnoeabs.peaks (5.09, 0.50, 17.36 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.88: HA ASP 36 + QG2 ILE 34 OK 88 97 - 91 - 6665=40, 2.9/6661=32...(11) Peak 6626 from cnoeabs.peaks (4.35, 0.50, 17.36 ppm; 4.11 A): 5 out of 8 assignments used, quality = 0.94: HA PHE 40 + QG2 ILE 34 OK 85 97 - 88 - 6735=35, 3.0/6736=32...(11) HA SER 35 + QG2 ILE 34 OK 33 65 - 50 - 3.6/6661=24, 6657=21...(9) HA ASP 100 + QG2 ILE 34 OK 23 100 - 23 - 3.0/6742=8, 2750/6740=3...(6) HB THR 17 + QG2 ILE 34 OK 18 81 - 23 - 4.6/2601=7, 8470/6665=5...(7) HA CYS 76 + QG2 ILE 34 OK 12 99 - 13 - 3.6/6620=3, 936/6736=1 HA GLN 105 - QG2 ILE 34 lone 3 57 - 4 - 2.9/6621=2 HA MET 11 - QG2 ILE 34 lone 2 89 - 2 - HB THR 116 - QG2 ILE 34 lone 1 78 - 1 - Peak 6627 from cnoeabs.peaks (8.27, 3.90, 60.00 ppm; 4.74 A): 0 out of 4 assignments used, low quality = 0.12: H TRP 20 - HA ILE 34 OK 12 99 - 12 - 1554/3.0=9, 1554/2587=2 H GLU 69 - HA ILE 34 lone 8 98 - 8 - 326=2, 3.6/3729=2...(4) H ILE 22 - HA ILE 34 lone 4 57 - 6 - 4.6/2592=3, 68/4.0=2 H VAL 49 - HA ILE 34 lone 2 83 - 3 - Peak 6628 from cnoeabs.peaks (8.48, 0.18, 12.09 ppm; 4.92 A): 3 out of 8 assignments used, quality = 0.94: H PHE 40 + QD1 ILE 34 OK 86 100 - 87 - 6736/3.0=41, 4.0/6741=22...(14) H LYS 31 + QD1 ILE 34 OK 37 97 - 38 - 3.9/6647=21, 3.9/6604=14 H GLU 28 + QD1 ILE 34 OK 34 95 - 36 - 4.8/6530=6, 102/3.2=5...(9) H TYR 102 - QD1 ILE 34 OK 33 99 - 33 - 7735/2.1=5, 4.5/6630=5...(9) H LEU 84 - QD1 ILE 34 OK 23 97 - 23 - 4.6/6631=5, 3.6/6643=4...(7) H LEU 77 - QD1 ILE 34 OK 20 73 - 27 - 4.0/6650=7, 6620/3.0=4...(7) H GLY 2 - QD1 ILE 34 OK 16 100 - 16 - 3.0/2623=3, 3.0/2623=3...(7) H SER 13 - QD1 ILE 34 OK 11 92 - 12 - 4.0/8184=2, 4.0/6644=1 Peak 6629 from cnoeabs.peaks (7.29, 0.18, 12.09 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.71: HZ PHE 40 + QD1 ILE 34 OK 67 100 - 68 - 2.2/6630=21, 3.8/6631=19...(13) HD1 TRP 20 + QD1 ILE 34 OK 12 99 - 12 - 6589/6645=3, 3.9/6645=3...(5) QD PHE 96 - QD1 ILE 34 poor 9 83 - 10 - 4570/6631=1 HE ARG 57 - QD1 ILE 34 lone 1 60 - 2 - Peak 6630 from cnoeabs.peaks (7.20, 0.18, 12.09 ppm; 4.15 A): 4 out of 6 assignments used, quality = 0.79: QE PHE 40 + QD1 ILE 34 OK 65 76 - 86 - 2.2/6629=24, 2.2/6631=22...(18) QD TYR 102 + QD1 ILE 34 OK 19 68 - 27 - 6623/3.0=5, 4748/2.1=4...(7) QD PHE 107 + QD1 ILE 34 OK 17 98 - 17 - 6623/3.0=4, 4806/8396=2...(5) QD TYR 67 + QD1 ILE 34 OK 10 100 - 10 - 6623/3.0=3 H LYS 65 - QD1 ILE 34 poor 9 89 - 11 - 6623/3.0=2 HE ARG 81 - QD1 ILE 34 lone 2 92 - 2 - Peak 6631 from cnoeabs.peaks (7.11, 0.18, 12.09 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.92: QD PHE 40 + QD1 ILE 34 OK 90 96 - 94 - 4671/3.0=31, 2.5/6741=22...(18) QD PHE 83 + QD1 ILE 34 OK 22 99 - 22 - 6624/3.0=5, 3.7/6643=3...(8) H LEU 93 - QD1 ILE 34 lone 7 90 - 7 - 6699/6674=1 HE ARG 53 - QD1 ILE 34 poor 7 60 - 11 - 6624/3.0=2, 6632/2.1=1 HE ARG 92 - QD1 ILE 34 lone 6 100 - 6 - 6624/3.0=1 HZ PHE 96 - QD1 ILE 34 lone 4 63 - 7 - 3.8/6629=2 Peak 6632 from cnoeabs.peaks (7.13, 1.06, 26.43 ppm; 5.29 A): 1 out of 4 assignments used, quality = 0.94: QD PHE 40 + HG13 ILE 34 OK 94 97 - 96 - 4671/3.2=40, 6633/1.8=32...(15) QD PHE 83 - HG13 ILE 34 OK 14 90 - 16 - 6624/3.2=7, 6631/2.1=4 HE ARG 53 - HG13 ILE 34 OK 11 99 - 11 - 6633/1.8=4, 6624/3.2=3 HE ARG 92 - HG13 ILE 34 lone 4 76 - 5 - 6624/3.2=2, 6631/2.1=1 Peak 6633 from cnoeabs.peaks (7.14, 0.55, 26.43 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.88: QD PHE 40 + HG12 ILE 34 OK 87 90 - 96 - 4671/3.2=37, 6632/1.8=30...(15) QD PHE 83 + HG12 ILE 34 OK 11 78 - 14 - 6624/3.2=6, 6632/1.8=5 HE ARG 53 - HG12 ILE 34 lone 10 100 - 10 - 6632/1.8=3, 6624/3.2=3 HE ARG 92 - HG12 ILE 34 lone 3 60 - 5 - 6632/1.8=1, 6624/3.2=1 Peak 6634 from cnoeabs.peaks (1.20, 0.50, 17.36 ppm; 3.94 A): 5 out of 5 assignments used, quality = 0.94: QG2 VAL 18 + QG2 ILE 34 OK 82 100 - 82 - 8395=33, 8396/3.0=22...(19) HB2 LEU 77 + QG2 ILE 34 OK 32 95 - 34 - 6650/3.0=6, 3.1/2605=4...(15) HG2 LYS 32 + QG2 ILE 34 OK 31 96 - 33 - 5.0/6621=5, 6650/3.0=4...(14) HB3 LEU 111 + QG2 ILE 34 OK 15 97 - 16 - ~6652=3, 6650/3.0=3...(4) HB3 LEU 24 + QG2 ILE 34 OK 10 92 - 11 - 3.9/6621=1 Peak 6635 from cnoeabs.peaks (1.77, 0.50, 17.36 ppm; 3.98 A): 2 out of 16 assignments used, quality = 0.96: HB2 PRO 37 + QG2 ILE 34 OK 84 90 - 93 - 2.3/6673=42, 1.8/6681=28...(14) HG3 PRO 30 + QG2 ILE 34 OK 75 99 - 75 - ~6645=12, ~6647=10...(19) HB2 LEU 45 - QG2 ILE 34 OK 39 89 - 44 - 3.1/2605=8, 2889/3.2=6...(16) HB2 LYS 32 - QG2 ILE 34 OK 31 90 - 35 - 4.7/6621=6, 3.0/6634=6...(15) HG2 GLN 42 - QG2 ILE 34 OK 14 97 - 14 - 3.0/2603=1, 2846/2.1=1...(4) HB2 LEU 117 - QG2 ILE 34 OK 13 100 - 13 - 1.8/6637=1 HG LEU 117 - QG2 ILE 34 OK 12 99 - 12 - 6601/3.0=1, ~8013=1 HG3 ARG 71 - QG2 ILE 34 poor 10 93 - 10 - 6601/3.0=2, ~6649=1...(4) HB2 GLU 75 - QG2 ILE 34 lone 8 100 - 8 - 2665/6673=1 HB3 GLU 56 - QG2 ILE 34 poor 8 78 - 10 - 1.8/6636=2, 2665/6673=1 HD3 LYS 109 - QG2 ILE 34 lone 7 100 - 7 - HG2 ARG 71 - QG2 ILE 34 poor 7 65 - 10 - 6601/3.0=1, ~6601=1, ~6649=1 HD2 LYS 109 - QG2 ILE 34 lone 6 99 - 7 - HB2 ARG 53 - QG2 ILE 34 poor 6 60 - 10 - 4.7/6624=1, 3.0/2602=1 HB3 LYS 46 - QG2 ILE 34 lone 5 85 - 6 - HB VAL 66 - QG2 ILE 34 lone 3 76 - 4 - ~6652=1 Peak 6636 from cnoeabs.peaks (2.05, 0.50, 17.36 ppm; 3.91 A): 3 out of 13 assignments used, quality = 0.94: HG3 PRO 37 + QG2 ILE 34 OK 89 100 - 89 - 2.3/6640=29, 3.8/6673=28...(11) HG3 PRO 60 + QG2 ILE 34 OK 29 99 - 29 - 6686=7, 2.3/6639=5...(9) HB3 GLU 38 + QG2 ILE 34 OK 20 99 - 20 - 3.8/6620=4, 4.4/6621=4...(6) HB2 GLU 56 - QG2 ILE 34 lone 10 96 - 10 - 2668/6673=1, 2654/6687=1...(4) HB ILE 63 - QG2 ILE 34 lone 9 96 - 10 - 3.0/6642=2, 3.2/8251=2 HG3 PRO 70 - QG2 ILE 34 lone 9 97 - 9 - 8402/8395=1, 2668/6673=1...(5) HB2 ARG 57 - QG2 ILE 34 lone 7 83 - 8 - 3.0/6642=1, 2668/6673=1 HB2 GLN 16 - QG2 ILE 34 lone 4 65 - 6 - 3.0/6641=2 HB2 GLN 105 - QG2 ILE 34 lone 3 71 - 5 - 4.0/6621=1 HB3 ARG 81 - QG2 ILE 34 lone 3 100 - 3 - HB3 GLN 16 - QG2 ILE 34 lone 3 63 - 5 - 3.0/6641=2 HG2 GLU 64 - QG2 ILE 34 lone 2 83 - 3 - HB2 LEU 114 - QG2 ILE 34 lone 1 57 - 1 - Peak 6637 from cnoeabs.peaks (2.20, 0.50, 17.36 ppm; 3.54 A): 2 out of 9 assignments used, quality = 0.97: HB3 PRO 37 + QG2 ILE 34 OK 85 97 - 87 - 2.3/6673=36, 6681=22...(15) HG2 PRO 37 + QG2 ILE 34 OK 83 100 - 83 - 2.3/6640=24, 3.8/6673=23...(11) HB VAL 26 - QG2 ILE 34 OK 10 97 - 10 - 6681=3, 2667/6673=2, 2683/6687=1 HB2 PRO 68 - QG2 ILE 34 poor 7 60 - 12 - 3.0/2602=2, 3.0/2602=2, ~2595=1 HB3 LEU 117 - QG2 ILE 34 lone 6 63 - 9 - 1.8/6635=1 HB VAL 49 - QG2 ILE 34 lone 4 87 - 5 - HG2 GLU 28 - QG2 ILE 34 lone 3 71 - 5 - 5.1/6620=1 HG3 GLU 28 - QG2 ILE 34 lone 3 65 - 5 - 5.1/6620=1 HB2 GLU 73 - QG2 ILE 34 lone 2 92 - 2 - Peak 6638 from cnoeabs.peaks (2.90, 0.50, 17.36 ppm; 3.58 A): 3 out of 6 assignments used, quality = 0.92: HB2 PHE 40 + QG2 ILE 34 OK 88 100 - 88 - 1.8/6740=28, 6742=25...(16) HB2 ASP 100 + QG2 ILE 34 OK 27 99 - 27 - 6742=9, 3.0/6626=3...(9) HE2 LYS 32 + QG2 ILE 34 OK 10 78 - 13 - 3.8/6634=4, 4.7/2603=2...(5) HE3 LYS 32 - QG2 ILE 34 poor 10 76 - 13 - 3.8/6634=4, 4.7/2603=2...(5) HB3 ASN 12 - QG2 ILE 34 lone 5 90 - 5 - HB2 ASN 106 - QG2 ILE 34 lone 4 100 - 4 - Peak 6639 from cnoeabs.peaks (3.35, 0.50, 17.36 ppm; 3.50 A): 4 out of 4 assignments used, quality = 0.91: HB3 PHE 40 + QG2 ILE 34 OK 86 100 - 86 - 6740=30, 2.5/4671=23...(14) HD3 ARG 85 + QG2 ILE 34 OK 19 89 - 22 - 4327/2.1=3, 3.0/2603=3...(8) HD3 PRO 60 + QG2 ILE 34 OK 18 96 - 19 - 2.3/6686=5, 6000/6673=4...(7) HA LEU 21 + QG2 ILE 34 OK 10 63 - 16 - 3.0/2606=3, 2101/3.2=2...(6) Peak 6640 from cnoeabs.peaks (3.43, 0.50, 17.36 ppm; 3.75 A): 3 out of 3 assignments used, quality = 0.94: HD2 PRO 37 + QG2 ILE 34 OK 92 100 - 92 - 6687=32, 3.6/6673=28...(13) HA2 GLY 86 + QG2 ILE 34 OK 11 73 - 15 - 3.0/2601=2, 2669/6673=2...(4) HB2 SER 44 + QG2 ILE 34 OK 11 68 - 16 - 6830/3.2=3, ~6832=3...(6) Peak 6641 from cnoeabs.peaks (4.02, 0.50, 17.36 ppm; 4.08 A): 4 out of 7 assignments used, quality = 0.89: HD3 PRO 37 + QG2 ILE 34 OK 81 85 - 95 - 1.8/6687=34, 3.6/6673=33...(13) HA TYR 102 + QG2 ILE 34 OK 22 78 - 28 - 3.7/6623=4, 3.6/6622=4...(10) HA ALA 14 + QG2 ILE 34 OK 17 100 - 17 - 6296/8395=3, 5954/4.0=3...(7) HA GLN 16 + QG2 ILE 34 OK 12 99 - 12 - 5960/4.0=3, 5960/2601=2 HA PHE 107 - QG2 ILE 34 lone 5 87 - 6 - 3.7/6623=3 HA LYS 109 - QG2 ILE 34 lone 5 63 - 8 - HA THR 62 - QG2 ILE 34 lone 2 57 - 4 - Peak 6642 from cnoeabs.peaks (4.13, 0.50, 17.36 ppm; 3.25 A): 2 out of 12 assignments used, quality = 0.80: HA PRO 37 + QG2 ILE 34 OK 78 90 - 86 - 6673=45, 2.3/6681=16...(18) HA PHE 83 + QG2 ILE 34 OK 11 81 - 14 - 3.7/6624=3, 3.6/6620=1...(7) HA ILE 63 - QG2 ILE 34 lone 7 97 - 7 - HB3 SER 78 - QG2 ILE 34 lone 6 100 - 6 - 3.9/6621=2 HA ALA 98 - QG2 ILE 34 lone 5 97 - 5 - HA ARG 57 - QG2 ILE 34 lone 4 95 - 5 - HA ILE 124 - QG2 ILE 34 lone 4 93 - 4 - HA ASN 108 - QG2 ILE 34 lone 3 90 - 3 - HA LEU 24 - QG2 ILE 34 lone 2 60 - 4 - 3.0/6634=1 HB3 SER 72 - QG2 ILE 34 lone 2 96 - 2 - HB2 SER 113 - QG2 ILE 34 lone 2 68 - 3 - HA3 GLY 25 - QG2 ILE 34 lone 1 95 - 1 - Peak 6643 from cnoeabs.peaks (4.14, 0.18, 12.09 ppm; 4.79 A): 4 out of 12 assignments used, quality = 0.94: HA PRO 37 + QD1 ILE 34 OK 89 100 - 89 - 6673/3.0=46, 6674=42...(14) HA GLU 28 + QD1 ILE 34 OK 23 93 - 25 - 3.6/2622=6, 3.0/6628=4...(9) HA PHE 83 + QD1 ILE 34 OK 23 100 - 23 - 3.7/6631=5, 6642/3.0=3...(9) HA ALA 98 + QD1 ILE 34 OK 10 99 - 10 - ~7667=2, 7669/2.1=2, 6642/3.0=1 HA ILE 63 - QD1 ILE 34 lone 10 99 - 10 - 6642/3.0=2 HA SER 78 - QD1 ILE 34 poor 8 73 - 11 - ~6621=3, ~371=3, ~6642=1 HA ILE 124 - QD1 ILE 34 lone 7 100 - 7 - 6642/3.0=1 HB2 SER 113 - QD1 ILE 34 lone 7 98 - 7 - HA ASN 108 - QD1 ILE 34 lone 6 100 - 6 - HB3 SER 78 - QD1 ILE 34 lone 6 89 - 7 - 6642/3.0=2 HB3 SER 72 - QD1 ILE 34 lone 4 100 - 4 - 1.8/6644=1 HA GLU 56 - QD1 ILE 34 lone 4 71 - 5 - ~6636=1 Peak 6644 from cnoeabs.peaks (3.78, 0.18, 12.09 ppm; 4.68 A): 5 out of 13 assignments used, quality = 0.92: HD2 PRO 30 + QD1 ILE 34 OK 81 89 - 92 - 1.8/6645=32, 3.0/6647=22...(23) HB2 SER 29 + QD1 ILE 34 OK 26 57 - 46 - 4.8/6645=19, 4.8/6597=13...(6) HB3 SER 35 + QD1 ILE 34 OK 25 71 - 35 - ~6657=17, 1.8/8184=9...(6) HA GLU 38 + QD1 ILE 34 OK 14 71 - 20 - ~6620=4, ~6636=2...(7) HA3 GLY 39 + QD1 ILE 34 OK 12 71 - 17 - 3.6/6628=9, ~6621=4...(4) HB3 SER 13 - QD1 ILE 34 poor 9 85 - 10 - 1.8/8184=3, 4.0/6628=1, ~6293=1 HB2 SER 72 - QD1 ILE 34 lone 6 99 - 6 - 7286/6601=1 HA CYS 87 - QD1 ILE 34 lone 2 68 - 4 - HB3 SER 74 - QD1 ILE 34 lone 2 100 - 2 - HB2 SER 74 - QD1 ILE 34 lone 2 100 - 2 - HA2 GLY 88 - QD1 ILE 34 lone 2 63 - 3 - ~6622=1 HB2 SER 90 - QD1 ILE 34 lone 2 90 - 2 - HA2 GLY 61 - QD1 ILE 34 lone 1 97 - 1 - Peak 6645 from cnoeabs.peaks (3.69, 0.18, 12.09 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.94: HD3 PRO 30 + QD1 ILE 34 OK 93 100 - 93 - 6600=31, 3.0/6647=24...(23) HB2 TRP 20 + QD1 ILE 34 OK 11 89 - 13 - 3.9/6629=4, 2373/6647=2...(4) HA2 GLY 104 - QD1 ILE 34 lone 3 68 - 4 - Peak 6646 from cnoeabs.peaks (2.90, 0.18, 12.09 ppm; 4.75 A): 1 out of 6 assignments used, quality = 0.96: HB2 PHE 40 + QD1 ILE 34 OK 96 100 - 96 - 1.8/6741=29, 6742/3.0=29...(17) HB2 ASP 100 - QD1 ILE 34 OK 24 99 - 25 - 6742/3.0=10, 2751/6741=3...(7) HE2 LYS 32 - QD1 ILE 34 OK 13 78 - 17 - 3.8/6650=5, 6638/3.0=3...(4) HE3 LYS 32 - QD1 ILE 34 OK 13 76 - 17 - 3.8/6650=5, 6638/3.0=3...(4) HB3 ASN 12 - QD1 ILE 34 lone 6 90 - 6 - 6638/3.0=1, 4.6/6628=1 HB2 ASN 106 - QD1 ILE 34 lone 5 100 - 5 - 6638/3.0=1 Peak 6647 from cnoeabs.peaks (2.14, 0.18, 12.09 ppm; 4.80 A): 3 out of 5 assignments used, quality = 0.95: HB2 PRO 30 + QD1 ILE 34 OK 93 100 - 93 - 6603=34, 3.0/6645=28...(20) HB VAL 115 + QD1 ILE 34 OK 12 100 - 12 - 2354/6645=3, 8489/2.1=2 HG2 GLU 69 + QD1 ILE 34 OK 11 96 - 11 - 8489/2.1=3, 2354/6645=2...(5) HG12 ILE 80 - QD1 ILE 34 poor 8 68 - 12 - ~7419=3, 8489/2.1=2...(5) HB3 GLU 15 - QD1 ILE 34 lone 7 100 - 7 - 8489/2.1=1, 2354/6645=1 Peak 6648 from cnoeabs.peaks (1.94, 0.18, 12.09 ppm; 5.00 A): 2 out of 14 assignments used, quality = 0.96: HB3 PRO 30 + QD1 ILE 34 OK 93 99 - 93 - 3.0/6645=30, 1.8/6647=30...(19) HB3 ARG 85 + QD1 ILE 34 OK 44 99 - 45 - 8488/2.1=5, 3.0/2624=4...(21) HB2 ARG 85 - QD1 ILE 34 OK 44 99 - 45 - 8488/2.1=5, 3.0/2624=4...(21) HB2 LEU 21 - QD1 ILE 34 OK 33 92 - 36 - 1.8/2627=6, 2108/2.1=5...(10) HG LEU 58 - QD1 ILE 34 OK 26 98 - 27 - 2.1/6364=8, 2.1/7065=7...(5) HB2 GLU 38 - QD1 ILE 34 OK 18 100 - 18 - ~6636=3, 3.0/6644=3...(5) HB3 LYS 119 - QD1 ILE 34 OK 13 100 - 13 - 6604=3, 2380/6645=2...(4) HB ILE 80 - QD1 ILE 34 OK 13 85 - 15 - 3.0/6647=2, ~7419=2...(5) HB3 GLU 69 - QD1 ILE 34 OK 13 100 - 13 - 3.0/6647=3, 3775/6603=2...(5) HB2 LYS 109 - QD1 ILE 34 OK 10 100 - 10 - HB2 GLU 64 - QD1 ILE 34 lone 7 100 - 7 - 4.6/6630=2 HB3 GLU 64 - QD1 ILE 34 lone 7 99 - 7 - 4.6/6630=2 HB3 GLU 94 - QD1 ILE 34 lone 3 96 - 3 - HB3 MET 11 - QD1 ILE 34 lone 2 71 - 2 - Peak 6649 from cnoeabs.peaks (1.75, 0.18, 12.09 ppm; 4.33 A): 2 out of 16 assignments used, quality = 0.90: HG3 PRO 30 + QD1 ILE 34 OK 79 92 - 86 - 2.3/6645=26, 2.3/6647=21...(16) HB2 LEU 45 + QD1 ILE 34 OK 52 100 - 52 - 3.1/2626=10, 2889/2.1=10...(14) HG3 ARG 71 - QD1 ILE 34 OK 17 99 - 17 - 6601=2, 1.8/6601=2...(5) HG2 ARG 71 - QD1 ILE 34 OK 17 100 - 17 - 1.8/6601=2, 6601=2...(6) HG2 GLN 42 - QD1 ILE 34 OK 15 97 - 16 - 3.0/2624=2, 6653/2.1=1...(4) HG LEU 117 - QD1 ILE 34 OK 15 93 - 16 - 6601=2, 2.1/8013=2...(5) HB2 LEU 117 - QD1 ILE 34 OK 10 71 - 14 - 3.0/6601=2, 3.1/8013=1...(4) HB2 ARG 53 - QD1 ILE 34 lone 10 99 - 10 - 3.0/2623=1, 4.7/6631=1 HB3 ARG 71 - QD1 ILE 34 poor 9 83 - 11 - 3.0/6601=2, 3.0/6601=1 HB2 LEU 91 - QD1 ILE 34 lone 8 93 - 9 - 3.1/6652=3, 7584/6597=1 HD2 LYS 109 - QD1 ILE 34 lone 7 93 - 7 - HD3 LYS 109 - QD1 ILE 34 lone 6 89 - 7 - HB3 LYS 46 - QD1 ILE 34 lone 6 100 - 6 - HB VAL 66 - QD1 ILE 34 lone 6 100 - 6 - 2.1/6652=3 HB2 LYS 31 - QD1 ILE 34 lone 5 73 - 6 - 4.0/6628=3 HB2 GLU 75 - QD1 ILE 34 lone 3 65 - 4 - Peak 6650 from cnoeabs.peaks (1.20, 0.18, 12.09 ppm; 4.04 A): 4 out of 5 assignments used, quality = 0.90: QG2 VAL 18 + QD1 ILE 34 OK 78 99 - 80 - 8396=32, 8395/3.0=25...(13) HB2 LEU 77 + QD1 ILE 34 OK 29 99 - 30 - 6634/3.0=6, 4002/2.1=4...(14) HG2 LYS 32 + QD1 ILE 34 OK 22 87 - 25 - 6634/3.0=6, 3.0/2624=3...(13) HB3 LEU 111 + QD1 ILE 34 OK 15 90 - 17 - 3.1/6652=7, 6634/3.0=3...(4) HB3 LEU 24 - QD1 ILE 34 lone 5 81 - 6 - 6634/3.0=2 Peak 6651 from cnoeabs.peaks (0.98, 0.18, 12.09 ppm; 3.50 A): 5 out of 9 assignments used, quality = 0.85: QG1 VAL 18 + QD1 ILE 34 OK 64 99 - 64 - 6364=20, 2.1/8396=20...(12) QD1 LEU 101 + QD1 ILE 34 OK 23 99 - 23 - 8154/2.1=5, ~8153=3...(6) QD2 LEU 58 + QD1 ILE 34 OK 22 92 - 24 - 6364=8, 2.1/7065=5...(5) HB3 LEU 27 + QD1 ILE 34 OK 21 63 - 33 - 3.1/6530=4, 3.0/2624=4...(13) QD1 LEU 58 + QD1 ILE 34 OK 15 76 - 19 - 2.1/6364=6, 7065=5...(4) QG2 THR 95 - QD1 ILE 34 lone 8 100 - 8 - 8251/3.0=1, 2.1/2623=1 HG2 LYS 65 - QD1 ILE 34 lone 5 100 - 5 - 4.9/6630=1 HG3 LYS 65 - QD1 ILE 34 lone 5 100 - 5 - 4.9/6630=1 QG2 ILE 124 - QD1 ILE 34 lone 3 81 - 4 - Peak 6652 from cnoeabs.peaks (0.79, 0.18, 12.09 ppm; 4.25 A): 0 out of 5 assignments used, low quality = 0.45: QD1 ILE 22 - QD1 ILE 34 OK 34 99 - 35 - 6444=18, 6439/6645=7...(8) QD1 LEU 111 - QD1 ILE 34 OK 16 100 - 16 - 3.1/6650=3, 5021/8396=2, ~6634=1 QD2 LEU 91 - QD1 ILE 34 lone 7 78 - 9 - 6596/6597=2, 6599/6645=1 QG2 VAL 66 - QD1 ILE 34 lone 4 81 - 5 - HB2 ASN 118 - QD1 ILE 34 lone 1 63 - 2 - Peak 6653 from cnoeabs.peaks (1.77, 0.55, 26.43 ppm; 4.57 A): 3 out of 16 assignments used, quality = 0.99: HG3 PRO 30 + HG12 ILE 34 OK 92 100 - 92 - ~6645=20, 1.8/8248=19...(21) HB2 PRO 37 + HG12 ILE 34 OK 74 81 - 92 - ~6673=24, ~6674=21...(16) HB2 LEU 45 + HG12 ILE 34 OK 66 96 - 69 - 2889=12, 1.8/2896=11...(17) HB2 LYS 32 - HG12 ILE 34 OK 23 81 - 29 - 1.8/2610=4, ~6650=3...(11) HG3 ARG 71 - HG12 ILE 34 OK 18 98 - 19 - 6601/2.1=3, 6654/1.8=2...(9) HG2 GLN 42 - HG12 ILE 34 OK 18 99 - 18 - 6654/1.8=2, 6649/2.1=2...(8) HG LEU 117 - HG12 ILE 34 OK 16 100 - 16 - 6601/2.1=2, ~8013=2...(6) HB2 LEU 117 - HG12 ILE 34 OK 15 99 - 15 - 6654/1.8=2, ~8013=2...(7) HG2 ARG 71 - HG12 ILE 34 OK 14 78 - 18 - ~6601=2, 6649/2.1=2...(8) HB3 LYS 46 - HG12 ILE 34 OK 12 93 - 13 - 4.0/195=5 HB2 ARG 53 - HG12 ILE 34 poor 8 73 - 11 - 4.7/6633=2, 3.0/2609=1 HD3 LYS 109 - HG12 ILE 34 lone 8 100 - 8 - HD2 LYS 109 - HG12 ILE 34 lone 8 100 - 8 - HB VAL 66 - HG12 ILE 34 lone 4 87 - 5 - ~6652=2 HB2 GLU 75 - HG12 ILE 34 lone 4 97 - 4 - HB3 GLU 56 - HG12 ILE 34 lone 3 65 - 4 - ~6636=1 Peak 6654 from cnoeabs.peaks (1.77, 1.06, 26.43 ppm; 4.31 A): 3 out of 16 assignments used, quality = 0.98: HG3 PRO 30 + HG13 ILE 34 OK 88 100 - 88 - 2.3/8489=20, ~6645=17...(19) HB2 PRO 37 + HG13 ILE 34 OK 72 81 - 89 - ~6673=21, ~6674=18...(16) HB2 LEU 45 + HG13 ILE 34 OK 53 96 - 56 - 2889/1.8=10, 3.1/2619=9...(15) HB2 LYS 32 - HG13 ILE 34 OK 25 81 - 31 - 4.7/914=6, 1.8/2617=4...(10) HG3 ARG 71 - HG13 ILE 34 OK 15 98 - 15 - 6601/2.1=2, 6653/1.8=2...(5) HG2 GLN 42 - HG13 ILE 34 OK 14 99 - 14 - 6653/1.8=2, 6649/2.1=2...(5) HB2 LEU 117 - HG13 ILE 34 OK 13 99 - 13 - 6653/1.8=1, ~8013=1...(6) HG LEU 117 - HG13 ILE 34 OK 13 100 - 13 - 6601/2.1=2, ~8013=2...(5) HG2 ARG 71 - HG13 ILE 34 OK 11 78 - 15 - 6649/2.1=2, ~6601=2...(6) HB2 ARG 53 - HG13 ILE 34 lone 7 73 - 10 - 4.7/6632=1, 3.0/2616=1 HD3 LYS 109 - HG13 ILE 34 lone 6 100 - 6 - HD2 LYS 109 - HG13 ILE 34 lone 6 100 - 6 - HB3 LYS 46 - HG13 ILE 34 lone 4 93 - 5 - 6653/1.8=1 HB VAL 66 - HG13 ILE 34 lone 3 87 - 4 - ~6652=2 HB2 GLU 75 - HG13 ILE 34 lone 3 97 - 3 - HB3 GLU 56 - HG13 ILE 34 lone 3 65 - 4 - ~6636=1 Peak 6655 from cnoeabs.peaks (3.42, 4.38, 58.91 ppm; 4.56 A): 0 out of 2 assignments used, low quality = 0.16: HD2 PRO 37 - HA SER 35 OK 16 97 - 17 - 6687/6657=11, ~6690=2...(4) HA2 GLY 86 - HA SER 35 lone 3 96 - 3 - 6640/6657=1 Peak 6656 from cnoeabs.peaks (1.03, 4.38, 58.91 ppm; 4.47 A): 0 out of 6 assignments used, low quality = 0.35: QG2 THR 33 - HA SER 35 OK 25 78 - 33 - 6619=21, 2.1/2630=5...(6) QG1 VAL 120 - HA SER 35 OK 13 100 - 13 - 8066=3, 2.1/8064=2...(4) QD2 LEU 101 - HA SER 35 lone 3 100 - 3 - HB3 LEU 21 - HA SER 35 lone 2 83 - 2 - HB3 LEU 27 - HA SER 35 lone 2 76 - 2 - QD1 LEU 58 - HA SER 35 lone 1 63 - 2 - Peak 6657 from cnoeabs.peaks (0.49, 4.38, 58.91 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.49: QG2 ILE 34 + HA SER 35 OK 49 98 - 50 - 6661/3.6=29...(10) Peak 6659 from cnoeabs.peaks (8.49, 5.10, 50.31 ppm; 5.15 A): 6 out of 9 assignments used, quality = 0.91: H GLU 38 + HA ASP 36 OK 54 73 - 73 - 6705=37, 150/3.8=20...(9) H TYR 102 + HA ASP 36 OK 43 87 - 50 - 1505/2.9=10, 2.9/6664=9...(12) H PHE 40 + HA ASP 36 OK 36 99 - 37 - 6736/6625=16...(8) H LEU 77 + HA ASP 36 OK 24 95 - 25 - 6660/3.0=5, 8491/3.0=4...(9) H GLU 28 + HA ASP 36 OK 20 100 - 20 - 5997/4.8=5, 6660/3.0=3...(7) H LEU 84 + HA ASP 36 OK 13 100 - 13 - 5997/4.8=4, 6660/3.0=2...(4) H SER 13 - HA ASP 36 lone 9 100 - 9 - 6660/3.0=1, 8491/3.0=1...(4) H LYS 31 - HA ASP 36 lone 8 100 - 8 - 6660/3.0=1, 8491/3.0=1 H GLY 2 - HA ASP 36 lone 3 98 - 3 - Peak 6660 from cnoeabs.peaks (8.51, 2.84, 40.61 ppm; 5.09 A): 6 out of 9 assignments used, quality = 0.87: H GLU 38 + HB2 ASP 36 OK 61 95 - 65 - 6705/3.0=37, 150/4.8=21...(6) H LEU 77 + HB2 ASP 36 OK 27 100 - 27 - 8491/1.8=6, 5542/4.8=5...(8) H TYR 102 + HB2 ASP 36 OK 26 60 - 44 - 2.9/6668=8, 6659/3.0=6...(11) H PHE 40 + HB2 ASP 36 OK 19 85 - 23 - 6736/6666=12, 6659/3.0=5...(4) H GLU 28 + HB2 ASP 36 OK 15 98 - 16 - 5541/4.8=3, 5542/4.8=3...(5) H LEU 84 + HB2 ASP 36 OK 11 96 - 11 - 6659/3.0=2, 8491/1.8=2...(6) H SER 13 - HB2 ASP 36 lone 8 99 - 8 - 8491/1.8=2, 5542/4.8=2...(4) H LYS 31 - HB2 ASP 36 lone 7 97 - 8 - 8491/1.8=2, 6659/3.0=1 H GLY 2 - HB2 ASP 36 lone 2 83 - 3 - Peak 6662 from cnoeabs.peaks (2.20, 5.10, 50.31 ppm; 4.31 A): 2 out of 8 assignments used, quality = 0.98: HG2 PRO 37 + HA ASP 36 OK 90 100 - 90 - 2.3/6693=45, 2.3/6692=45...(7) HB3 PRO 37 + HA ASP 36 OK 85 97 - 88 - 3.0/6693=40, 3.0/6692=40...(6) HB VAL 26 - HA ASP 36 OK 14 98 - 14 - 2683/3.8=4, 2660/3.8=4...(5) HB VAL 49 - HA ASP 36 lone 6 89 - 7 - 2660/3.8=2, 2653/3.8=2 HG2 GLU 28 - HA ASP 36 lone 4 68 - 6 - 5.1/6659=2, 2666/4.8=1...(4) HB2 GLU 73 - HA ASP 36 lone 4 93 - 4 - HG3 GLU 28 - HA ASP 36 lone 4 63 - 6 - 5.1/6659=2, 2666/4.8=1...(4) HB3 LEU 117 - HA ASP 36 lone 4 60 - 6 - 2659/3.8=2, 2652/3.8=2 Peak 6663 from cnoeabs.peaks (3.43, 5.10, 50.31 ppm; 3.56 A): 1 out of 4 assignments used, quality = 0.95: HD2 PRO 37 + HA ASP 36 OK 95 100 - 95 - 3.8=84, 1.8/6693=40...(7) HB2 SER 44 - HA ASP 36 OK 12 78 - 15 - 2662/3.8=3, 3.0/6664=2...(6) HA2 GLY 86 - HA ASP 36 lone 6 63 - 10 - 2669/4.8=2, 2662/3.8=2 HD3 PRO 70 - HA ASP 36 lone 2 68 - 3 - Peak 6664 from cnoeabs.peaks (4.06, 5.10, 50.31 ppm; 3.34 A): 3 out of 9 assignments used, quality = 0.89: HD3 PRO 37 + HA ASP 36 OK 83 93 - 89 - 3.8=70, 1.8/6692=36...(7) HA TYR 102 + HA ASP 36 OK 26 97 - 27 - 5838/2.9=5, 7745/3.0=3...(11) HA SER 44 + HA ASP 36 OK 11 97 - 11 - 3.0/6663=2, 2867/3.8=2...(4) HA LEU 55 - HA ASP 36 lone 6 100 - 6 - HA LYS 109 - HA ASP 36 lone 6 100 - 6 - 2656/3.8=1, 2670/4.8=1 HA GLN 16 - HA ASP 36 lone 4 71 - 5 - 6341/8469=1 HA SER 112 - HA ASP 36 lone 3 100 - 3 - HA LYS 31 - HA ASP 36 lone 2 71 - 2 - HA VAL 120 - HA ASP 36 lone 0 71 - 0 - Peak 6665 from cnoeabs.peaks (0.49, 5.10, 50.31 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.94: QG2 ILE 34 + HA ASP 36 OK 94 100 - 94 - 6625=48, 6661/2.9=35...(11) Peak 6666 from cnoeabs.peaks (0.49, 2.84, 40.61 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.81: QG2 ILE 34 + HB2 ASP 36 OK 81 100 - 81 - 6625/3.0=40, 6661/4.0=33...(5) Peak 6667 from cnoeabs.peaks (3.43, 2.84, 40.61 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 37 + HB2 ASP 36 OK 100 100 - 100 - 4.8=100 HB2 SER 44 - HB2 ASP 36 OK 14 65 - 22 - 6663/3.0=5, 6669/1.8=5...(7) HA2 GLY 86 - HB2 ASP 36 poor 8 76 - 11 - 2662/4.8=3, 6669/1.8=3...(4) Peak 6668 from cnoeabs.peaks (4.05, 2.84, 40.61 ppm; 5.01 A): 1 out of 7 assignments used, quality = 0.99: HD3 PRO 37 + HB2 ASP 36 OK 99 99 - 100 - 4.8=100 HA TYR 102 - HB2 ASP 36 OK 44 100 - 44 - 6670/1.8=10, 5838/4.0=9...(9) HA SER 44 - HB2 ASP 36 OK 18 90 - 20 - 6670/1.8=4, 3.0/6667=4...(6) HA LEU 55 - HB2 ASP 36 OK 11 100 - 11 - ~8490=3, 6670/1.8=2...(4) HA LYS 109 - HB2 ASP 36 lone 9 100 - 9 - 2656/4.8=2, 6664/3.0=2 HA GLN 16 - HB2 ASP 36 lone 5 85 - 6 - 2656/4.8=2, 6664/3.0=1 HA SER 112 - HB2 ASP 36 lone 5 99 - 5 - 6664/3.0=1 Peak 6669 from cnoeabs.peaks (3.43, 2.55, 40.61 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 37 + HB3 ASP 36 OK 100 100 - 100 - 4.8=100 HB2 SER 44 - HB3 ASP 36 OK 13 65 - 20 - 6663/3.0=4, 6667/1.8=4...(6) HA2 GLY 86 - HB3 ASP 36 lone 7 76 - 9 - 2662/4.8=3, 6667/1.8=3 Peak 6670 from cnoeabs.peaks (4.06, 2.55, 40.61 ppm; 5.08 A): 2 out of 9 assignments used, quality = 0.97: HD3 PRO 37 + HB3 ASP 36 OK 93 93 - 100 - 4.8=100 HA TYR 102 + HB3 ASP 36 OK 48 97 - 50 - 7745=10, 5838/4.0=9...(11) HA SER 44 - HB3 ASP 36 OK 20 97 - 20 - 6668/1.8=4, 3.0/6669=4...(6) HA LEU 55 - HB3 ASP 36 OK 12 100 - 11 - 3.0/8490=4, 6668/1.8=2...(4) HA LYS 109 - HB3 ASP 36 lone 9 100 - 9 - 2656/4.8=2, 6664/3.0=2 HA SER 112 - HB3 ASP 36 lone 5 100 - 5 - 6668/1.8=1, 6664/3.0=1 HA LYS 31 - HB3 ASP 36 lone 4 71 - 6 - 2.9/8491=1, ~6660=1 HA GLN 16 - HB3 ASP 36 lone 4 71 - 6 - 2656/4.8=1, 6664/3.0=1 HA VAL 120 - HB3 ASP 36 lone 1 71 - 2 - Peak 6671 from cnoeabs.peaks (1.45, 4.14, 65.35 ppm; 4.97 A): 5 out of 15 assignments used, quality = 0.93: QB ALA 14 + HA PRO 37 OK 57 92 - 62 - 6307/2.3=17, 6314/3.6=12...(13) HB3 GLU 75 + HA PRO 37 OK 51 100 - 52 - 6678/2.3=7, 3.0/6096=6...(18) HG3 ARG 57 + HA PRO 37 OK 40 89 - 46 - 6678/2.3=6, 6682/3.8=5...(22) HG LEU 24 + HA PRO 37 OK 25 100 - 25 - 3.0/6672=3, 6678/2.3=3...(11) HB3 LEU 101 + HA PRO 37 OK 24 97 - 25 - 3.1/8253=5, 4.6/5997=4...(7) HD2 LYS 46 - HA PRO 37 OK 21 99 - 21 - 8574/3.6=5, 6682/3.8=3...(6) HB2 LEU 93 - HA PRO 37 OK 18 92 - 20 - 3.8/6699=4, 6704/3.6=4...(4) HD3 LYS 65 - HA PRO 37 OK 18 99 - 18 - 2.9/8253=2, 2.9/8253=2...(9) HD2 LYS 65 - HA PRO 37 OK 18 99 - 18 - 2.9/8253=2, 2.9/8253=2...(9) QB ALA 89 - HA PRO 37 OK 12 97 - 12 - 6162/3.6=2 QB ALA 98 - HA PRO 37 OK 12 65 - 18 - ~6702=2, 3.5/487=2...(7) HB3 LEU 45 - HA PRO 37 lone 10 100 - 10 - HG2 LYS 119 - HA PRO 37 lone 9 97 - 10 - 6704/3.6=1, 4.0/6675=1 HG3 LYS 31 - HA PRO 37 lone 9 95 - 9 - 6704/3.6=1, 4.7/5997=1 HB3 LEU 91 - HA PRO 37 lone 5 81 - 6 - Peak 6672 from cnoeabs.peaks (1.20, 4.14, 65.35 ppm; 4.39 A): 5 out of 5 assignments used, quality = 0.93: QG2 VAL 18 + HA PRO 37 OK 72 98 - 74 - 8392=19, 8395/6673=14...(13) HB2 LEU 77 + HA PRO 37 OK 44 99 - 45 - 6677/2.3=7, 3.0/6675=7...(13) HG2 LYS 32 + HA PRO 37 OK 28 85 - 33 - 6677/2.3=7, 8257/2.3=4...(11) HB3 LEU 111 + HA PRO 37 OK 28 89 - 31 - 6677/2.3=4, 3.1/7903=3...(13) HB3 LEU 24 + HA PRO 37 OK 16 78 - 20 - 6677/2.3=3, 6683/3.8=2...(7) Peak 6673 from cnoeabs.peaks (0.49, 4.14, 65.35 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.81: QG2 ILE 34 + HA PRO 37 OK 81 100 - 81 - 6642=27, 6681/2.3=16...(18) Peak 6674 from cnoeabs.peaks (0.17, 4.14, 65.35 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.84: QD1 ILE 34 + HA PRO 37 OK 81 98 - 83 - 3.0/6673=44, 6643=20...(14) QD2 LEU 51 + HA PRO 37 OK 13 95 - 14 - 2607/6673=5, 4672/6699=2 Peak 6675 from cnoeabs.peaks (3.83, 4.14, 65.35 ppm; 4.89 A): 5 out of 12 assignments used, quality = 0.80: HA LEU 77 + HA PRO 37 OK 47 98 - 48 - 3.0/6672=9, 6676/2.3=9...(11) HA GLU 15 + HA PRO 37 OK 36 81 - 45 - ~6702=13, 8188/2.3=12...(7) HA3 GLY 39 + HA PRO 37 OK 21 78 - 27 - 3.6/5997=14, 2.9/5996=10...(5) HB3 SER 29 + HA PRO 37 OK 15 90 - 17 - 3.9/106=3, ~6572=3...(7) HB2 SER 29 + HA PRO 37 OK 15 89 - 16 - 3.9/106=3, ~6572=3...(7) HA THR 19 - HA PRO 37 poor 10 93 - 10 - 6676/2.3=3, 6703/2.3=2...(4) HA THR 116 - HA PRO 37 lone 7 100 - 7 - 6676/2.3=1 HA LYS 119 - HA PRO 37 lone 7 100 - 7 - 6676/2.3=1 HB2 SER 35 - HA PRO 37 lone 6 63 - 10 - 6676/2.3=3, 6703/2.3=2 HA3 GLY 88 - HA PRO 37 lone 5 92 - 5 - HA2 GLY 88 - HA PRO 37 lone 4 85 - 5 - HA3 GLY 104 - HA PRO 37 lone 4 65 - 6 - 3.6/5996=2 Peak 6676 from cnoeabs.peaks (3.84, 1.79, 31.19 ppm; 4.14 A): 5 out of 22 assignments used, quality = 0.88: HA GLU 15 + HB2 PRO 37 OK 62 99 - 62 - 8188=16, 3.0/6702=14...(12) HA LEU 77 + HB2 PRO 37 OK 49 99 - 50 - 6703/1.8=8, 3.0/6677=6...(17) HB2 SER 35 + HB2 PRO 37 OK 18 95 - 19 - ~6655=11, 6690/2.3=3, 6703/1.8=3 HA THR 19 + HB2 PRO 37 OK 15 100 - 15 - 6703/1.8=2, 6690/2.3=2...(6) HA THR 33 + HB2 PRO 37 OK 13 89 - 15 - 2.9/130=4, ~5996=2...(4) HB THR 33 - HB2 PRO 37 poor 9 87 - 10 - 4.0/130=3, ~6703=1 HA THR 116 - HB2 PRO 37 lone 8 93 - 8 - 3.6/1370=1 HA LYS 119 - HB2 PRO 37 lone 6 97 - 6 - HA GLU 15 - HB2 PRO 60 poor 6 59 - 10 - 8188=2, 3.0/6702=2, ~6701=1 HB2 SER 13 - HB2 PRO 37 lone 5 65 - 7 - 6690/2.3=1, 6703/1.8=1 HA3 GLY 104 - HB2 PRO 37 lone 3 96 - 4 - HA LYS 119 - HB2 PRO 60 lone 2 55 - 4 - ~604=2 HA LEU 77 - HB2 PRO 60 lone 2 59 - 4 - HA3 GLY 88 - HB2 PRO 37 lone 2 57 - 4 - ~1705=1 HA THR 116 - HB2 PRO 60 lone 2 52 - 3 - HA THR 19 - HB2 PRO 60 lone 1 60 - 2 - HA3 GLY 104 - HB2 PRO 60 lone 1 54 - 2 - HA THR 33 - HB2 PRO 60 lone 1 48 - 2 - HB THR 33 - HB2 PRO 60 lone 1 46 - 2 - HB2 SER 35 - HB2 PRO 60 lone 1 53 - 1 - HB2 SER 13 - HB2 PRO 60 lone 0 32 - 1 - HA3 GLY 88 - HB2 PRO 60 lone 0 28 - 1 - Peak 6677 from cnoeabs.peaks (1.20, 1.79, 31.19 ppm; 4.07 A): 5 out of 10 assignments used, quality = 0.92: QG2 VAL 18 + HB2 PRO 37 OK 68 100 - 69 - 8403/1.8=14, 8392/2.3=13...(17) HB2 LEU 77 + HB2 PRO 37 OK 39 96 - 41 - 6672/2.3=7, 3.0/6676=7...(12) HG2 LYS 32 + HB2 PRO 37 OK 35 95 - 37 - 2517=6, 6672/2.3=5...(13) HB3 LEU 111 + HB2 PRO 37 OK 24 97 - 24 - 6672/2.3=5, 8257/1.8=3...(8) HB3 LEU 24 + HB2 PRO 37 OK 17 90 - 19 - 6683/2.3=3, 6672/2.3=3...(7) QG2 VAL 18 - HB2 PRO 60 poor 7 60 - 12 - 8400=1, 8395/6679=1...(4) HG2 LYS 32 - HB2 PRO 60 lone 3 53 - 6 - HB3 LEU 24 - HB2 PRO 60 lone 3 49 - 6 - ~6469=1 HB3 LEU 111 - HB2 PRO 60 lone 3 55 - 5 - HB2 LEU 77 - HB2 PRO 60 lone 2 54 - 5 - Peak 6678 from cnoeabs.peaks (1.45, 1.79, 31.19 ppm; 3.53 A): 9 out of 30 assignments used, quality = 0.93: QB ALA 14 + HB2 PRO 37 OK 52 92 - 57 - 6307=16, 3.7/6702=8...(18) HB3 GLU 75 + HB2 PRO 37 OK 39 100 - 40 - 3962=5, 6682/2.3=4...(19) HG3 ARG 57 + HB2 PRO 37 OK 33 89 - 37 - 6682/2.3=4, 6680/1.8=3...(12) HG3 ARG 57 + HB2 PRO 60 OK 25 48 - 53 - 3329/3.0=6, 3326=5...(32) HD2 LYS 46 + HB2 PRO 37 OK 18 99 - 18 - 8574/3.0=3, 6682/2.3=3...(8) HG LEU 24 + HB2 PRO 37 OK 15 100 - 15 - 3.0/6677=2, 6682/2.3=2...(7) HD3 LYS 65 + HB2 PRO 37 OK 11 99 - 11 - 6682/2.3=1 HD2 LYS 65 + HB2 PRO 37 OK 11 99 - 11 - 6682/2.3=1 HB3 LEU 101 + HB2 PRO 37 OK 11 97 - 11 - ~8253=1, 6671/2.3=1, 6682/2.3=1 HB3 GLU 75 - HB2 PRO 60 poor 8 60 - 14 - 3964=1, 1.8/3958=1...(4) QB ALA 98 - HB2 PRO 37 poor 8 65 - 13 - 3.5/6702=2, ~6700=1...(5) HB2 LEU 93 - HB2 PRO 37 lone 8 92 - 8 - 6704/3.9=2 HG2 LYS 119 - HB2 PRO 37 lone 6 97 - 6 - QB ALA 89 - HB2 PRO 37 lone 5 97 - 5 - 6162/3.0=1 HB3 LEU 45 - HB2 PRO 37 lone 5 100 - 5 - HG3 LYS 31 - HB2 PRO 37 lone 4 95 - 5 - HG LEU 24 - HB2 PRO 60 lone 3 60 - 6 - ~6469=1 QB ALA 14 - HB2 PRO 60 lone 3 50 - 6 - 6307=2 HB2 LEU 93 - HB2 PRO 60 lone 3 50 - 5 - HB3 LEU 101 - HB2 PRO 60 lone 3 55 - 5 - HD2 LYS 46 - HB2 PRO 60 lone 2 57 - 4 - HB3 LEU 45 - HB2 PRO 60 lone 2 60 - 4 - HG3 LYS 31 - HB2 PRO 60 lone 2 53 - 4 - HB3 LEU 91 - HB2 PRO 37 lone 2 81 - 2 - HG2 LYS 119 - HB2 PRO 60 lone 1 56 - 2 - QB ALA 89 - HB2 PRO 60 lone 1 56 - 1 - HD3 LYS 65 - HB2 PRO 60 lone 1 58 - 1 - HD2 LYS 65 - HB2 PRO 60 lone 1 58 - 1 - HB3 LEU 91 - HB2 PRO 60 lone 1 42 - 1 - QB ALA 98 - HB2 PRO 60 lone 0 32 - 1 - Peak 6679 from cnoeabs.peaks (0.49, 1.79, 31.19 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.95: QG2 ILE 34 + HB2 PRO 37 OK 95 97 - 97 - 6673/2.3=48, 6681/1.8=38...(15) QG2 ILE 34 - HB2 PRO 60 OK 17 56 - 30 - 6686/2.3=9, 6639/3.0=6...(10) Peak 6680 from cnoeabs.peaks (1.46, 2.21, 31.19 ppm; 3.93 A): 5 out of 45 assignments used, quality = 0.96: QB ALA 14 + HB3 PRO 37 OK 57 98 - 59 - 6307/1.8=15, 6310=9...(16) HG LEU 24 + HB VAL 26 OK 48 81 - 60 - ~8214=21, ~8224=17...(10) HG3 ARG 57 + HB VAL 26 OK 47 76 - 61 - 7039/2.1=13, ~8220=9...(19) HB3 GLU 75 + HB3 PRO 37 OK 43 99 - 43 - 6678/1.8=6, 6682/2.3=5...(21) HG3 ARG 57 + HB3 PRO 37 OK 42 97 - 43 - 6678/1.8=5, 6682/2.3=5...(22) HD2 LYS 46 - HB3 PRO 37 OK 22 100 - 22 - 8574/3.0=3, 6682/2.3=3...(8) HG LEU 24 - HB3 PRO 37 OK 18 99 - 18 - 6678/1.8=2, 6682/2.3=2...(10) HB3 LEU 101 - HB VAL 26 OK 16 67 - 24 - ~7710=6, ~8212=4...(8) HG2 LYS 109 - HB3 PRO 37 OK 15 73 - 21 - ~4921=2, 4911/3.0=2...(7) HB3 LEU 45 - HB VAL 26 OK 14 81 - 18 - 2897/2.1=3, ~8219=2...(8) HD3 LYS 65 - HB3 PRO 37 OK 13 95 - 14 - 6678/1.8=2, 6682/2.3=2...(6) HD2 LYS 65 - HB3 PRO 37 OK 13 95 - 14 - 6678/1.8=2, 6682/2.3=2...(6) HB3 LEU 101 - HB3 PRO 37 OK 12 89 - 13 - ~8253=2, 6671/2.3=2...(5) QB ALA 14 - HB VAL 49 poor 10 46 - 20 - 6304/2.1=4, ~5599=3...(8) HB2 LEU 93 - HB3 PRO 37 lone 9 98 - 9 - 6704/3.9=3, 6671/2.3=1 QB ALA 14 - HB VAL 26 lone 7 78 - 9 - 6503/2.1=1, ~5439=1...(4) HG2 LYS 119 - HB3 PRO 37 lone 6 100 - 6 - QB ALA 89 - HB3 PRO 37 lone 6 90 - 7 - 6162/3.0=1 HB3 LEU 45 - HB3 PRO 37 lone 6 99 - 6 - HG3 LYS 31 - HB3 PRO 37 lone 5 99 - 5 - HB3 GLU 75 - HB VAL 49 lone 4 48 - 8 - ~8495=2, ~8494=2, ~6903=1 HD2 LYS 46 - HB VAL 26 lone 3 82 - 4 - HG2 LYS 119 - HB VAL 26 lone 3 82 - 4 - HB3 GLU 75 - HB VAL 26 lone 3 81 - 4 - HB2 LEU 93 - HB VAL 26 lone 3 78 - 4 - HG3 LYS 31 - HB VAL 26 lone 3 80 - 3 - HG3 ARG 57 - HB VAL 49 lone 3 45 - 6 - HB3 LEU 45 - HB VAL 49 lone 2 48 - 4 - HB3 LEU 91 - HB VAL 26 lone 2 47 - 4 - HG2 LYS 109 - HB VAL 26 lone 2 54 - 3 - HD3 LYS 65 - HB VAL 26 lone 2 74 - 2 - HD2 LYS 65 - HB VAL 26 lone 2 74 - 2 - HB3 LEU 91 - HB3 PRO 37 lone 2 65 - 2 - QB ALA 89 - HB VAL 26 lone 1 69 - 2 - HG LEU 24 - HB VAL 49 lone 1 48 - 3 - HD2 LYS 46 - HB VAL 49 lone 1 49 - 2 - HB2 LEU 93 - HB VAL 49 lone 1 46 - 2 - QB ALA 89 - HB VAL 49 lone 1 40 - 2 - HB3 LEU 101 - HB VAL 49 lone 1 39 - 2 - HG2 LYS 119 - HB VAL 49 lone 1 49 - 1 - HG3 LYS 31 - HB VAL 49 lone 1 48 - 1 - HB3 LEU 91 - HB VAL 49 lone 0 26 - 2 - HD2 LYS 65 - HB VAL 49 lone 0 43 - 1 - HD3 LYS 65 - HB VAL 49 lone 0 43 - 1 - HG2 LYS 109 - HB VAL 49 lone 0 30 - 1 - Peak 6681 from cnoeabs.peaks (0.49, 2.21, 31.19 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.94: QG2 ILE 34 + HB3 PRO 37 OK 93 97 - 96 - 6673/2.3=46, 6687/3.0=32...(15) QG2 ILE 34 + HB VAL 26 OK 11 77 - 14 - 6637=2, 6673/2667=2...(5) QG2 ILE 34 - HB VAL 49 lone 3 46 - 7 - Peak 6682 from cnoeabs.peaks (1.45, 2.20, 27.36 ppm; 4.04 A): 8 out of 15 assignments used, quality = 0.92: QB ALA 14 + HG2 PRO 37 OK 56 92 - 61 - 6307/2.3=13, 3.7/6700=13...(18) HB3 GLU 75 + HG2 PRO 37 OK 37 100 - 37 - 6678/2.3=5, 1.8/2686=4...(17) HG3 ARG 57 + HG2 PRO 37 OK 35 89 - 39 - 6678/2.3=5, 6685/1.8=3...(21) HD2 LYS 46 + HG2 PRO 37 OK 23 99 - 23 - 8574/2.3=4, ~6694=3...(9) HG LEU 24 + HG2 PRO 37 OK 16 100 - 16 - 3.0/6683=2, 6678/2.3=2...(9) HD3 LYS 65 + HG2 PRO 37 OK 12 99 - 11 - 6678/2.3=2, ~6697=1...(7) HD2 LYS 65 + HG2 PRO 37 OK 12 99 - 11 - 6678/2.3=2, ~6697=1...(7) QB ALA 98 + HG2 PRO 37 OK 11 65 - 16 - 3.5/6700=3, 2.1/2685=2...(6) HB3 LEU 101 - HG2 PRO 37 poor 10 97 - 10 - 6678/2.3=2, 6671/3.8=1, ~7701=1 HB2 LEU 93 - HG2 PRO 37 lone 6 92 - 7 - 6671/3.8=1, 6678/2.3=1 QB ALA 89 - HG2 PRO 37 lone 6 97 - 6 - 6162/2.3=2 HB3 LEU 45 - HG2 PRO 37 lone 6 100 - 6 - HG2 LYS 119 - HG2 PRO 37 lone 5 97 - 5 - HG3 LYS 31 - HG2 PRO 37 lone 4 95 - 4 - HB3 LEU 91 - HG2 PRO 37 lone 2 81 - 2 - Peak 6683 from cnoeabs.peaks (1.20, 2.20, 27.36 ppm; 5.16 A): 4 out of 5 assignments used, quality = 0.94: QG2 VAL 18 + HG2 PRO 37 OK 79 100 - 79 - 8403/2.3=17, 6677/2.3=16...(13) HB2 LEU 77 + HG2 PRO 37 OK 46 96 - 49 - 6677/2.3=9, 6672/3.8=8...(10) HG2 LYS 32 + HG2 PRO 37 OK 32 95 - 34 - 6677/2.3=8, 6672/3.8=5...(10) HB3 LEU 111 + HG2 PRO 37 OK 27 97 - 27 - 6677/2.3=5, 6672/3.8=5...(10) HB3 LEU 24 - HG2 PRO 37 OK 24 90 - 27 - 6677/2.3=4, 3.0/6682=3...(11) Peak 6684 from cnoeabs.peaks (0.49, 2.20, 27.36 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.95: QG2 ILE 34 + HG2 PRO 37 OK 95 100 - 96 - 6687/2.3=39, 6673/3.8=38...(12) Peak 6685 from cnoeabs.peaks (1.46, 2.05, 27.36 ppm; 4.33 A): 4 out of 30 assignments used, quality = 0.95: QB ALA 14 + HG3 PRO 37 OK 64 98 - 65 - 6307/2.3=16, 3.7/6701=13...(18) HG3 ARG 57 + HG3 PRO 60 OK 58 82 - 71 - 3329/2.3=11, ~3321=7...(32) HB3 GLU 75 + HG3 PRO 37 OK 42 99 - 43 - 6682/1.8=6, 6678/2.3=6...(17) HG3 ARG 57 + HG3 PRO 37 OK 42 97 - 44 - 6682/1.8=6, 6678/2.3=5...(25) HD2 LYS 46 - HG3 PRO 37 OK 27 100 - 27 - 8574/2.3=5, 6682/1.8=4...(10) HG LEU 24 - HG3 PRO 37 OK 18 99 - 18 - 6682/1.8=3, 6678/2.3=2...(9) HG2 LYS 109 - HG3 PRO 37 OK 18 73 - 25 - ~4921=3, 4911/2.3=2...(10) HB3 GLU 75 - HG3 PRO 60 OK 17 86 - 19 - 3964/2.3=2, 8334/331=2...(4) HD3 LYS 65 - HG3 PRO 37 OK 14 95 - 14 - 6682/1.8=2, 6678/2.3=2...(8) HD2 LYS 65 - HG3 PRO 37 OK 14 95 - 14 - 6682/1.8=2, 6678/2.3=2...(8) HB3 LEU 101 - HG3 PRO 37 OK 11 89 - 12 - 6682/1.8=2, 6678/2.3=2...(6) QB ALA 14 - HG3 PRO 60 poor 9 84 - 10 - 3.7/6701=2, 6307/2.3=2 HB2 LEU 93 - HG3 PRO 37 lone 8 98 - 8 - 6671/3.8=1, 6678/2.3=1 HG LEU 24 - HG3 PRO 60 lone 8 86 - 9 - ~6469=2 QB ALA 89 - HG3 PRO 37 lone 7 90 - 7 - 6162/2.3=2, 6682/1.8=1 HD2 LYS 46 - HG3 PRO 60 lone 6 88 - 7 - HB2 LEU 93 - HG3 PRO 60 lone 6 84 - 7 - ~7088=1, ~7090=1 HG2 LYS 119 - HG3 PRO 37 lone 6 100 - 6 - HB3 LEU 45 - HG3 PRO 37 lone 6 99 - 6 - HG3 LYS 31 - HG3 PRO 60 lone 5 85 - 6 - ~7090=2, ~7088=2 HB3 LEU 45 - HG3 PRO 60 lone 5 86 - 6 - HB3 LEU 101 - HG3 PRO 60 lone 5 73 - 7 - HG3 LYS 31 - HG3 PRO 37 lone 5 99 - 5 - HG2 LYS 119 - HG3 PRO 60 lone 3 87 - 3 - HG2 LYS 109 - HG3 PRO 60 lone 3 58 - 4 - ~7847=1 HB3 LEU 91 - HG3 PRO 37 lone 2 65 - 3 - QB ALA 89 - HG3 PRO 60 lone 2 74 - 2 - HD2 LYS 65 - HG3 PRO 60 lone 2 79 - 2 - HD3 LYS 65 - HG3 PRO 60 lone 2 79 - 2 - HB3 LEU 91 - HG3 PRO 60 lone 1 51 - 2 - Peak 6686 from cnoeabs.peaks (0.49, 2.05, 27.36 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.95: QG2 ILE 34 + HG3 PRO 37 OK 93 97 - 95 - 6687/2.3=38, 6684/1.8=37...(11) QG2 ILE 34 + HG3 PRO 60 OK 29 83 - 35 - 6636=7, 6639/2.3=6...(11) Peak 6687 from cnoeabs.peaks (0.49, 3.43, 50.16 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.94: QG2 ILE 34 + HD2 PRO 37 OK 94 97 - 97 - 6640=39, 6696/1.8=36...(14) Peak 6689 from cnoeabs.peaks (5.10, 2.05, 27.36 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.90: HA ASP 36 + HG3 PRO 37 OK 87 99 - 87 - 6693/2.3=48, 6692/2.3=47...(6) HA ASP 36 + HG3 PRO 60 OK 24 86 - 28 - 3.8/2697=11, 3.8/2661=7...(6) Peak 6690 from cnoeabs.peaks (3.85, 2.20, 27.36 ppm; 4.86 A): 6 out of 11 assignments used, quality = 0.92: HA GLU 15 + HG2 PRO 37 OK 70 100 - 70 - 3.0/6700=21, 8188/2.3=14...(13) HA LEU 77 + HG2 PRO 37 OK 45 89 - 51 - 6676/2.3=10, 6703/2.3=9...(13) HB2 SER 35 + HG2 PRO 37 OK 27 100 - 27 - ~6655=19, 6703/2.3=4, 6676/2.3=4 HA THR 19 + HG2 PRO 37 OK 18 96 - 19 - 6676/2.3=3, 6703/2.3=2...(9) HA THR 33 + HG2 PRO 37 OK 13 99 - 14 - ~130=3, 6676/2.3=3...(5) HB2 SER 13 + HG2 PRO 37 OK 12 90 - 13 - 4.5/6301=2, 4.0/5546=2...(4) HB THR 33 - HG2 PRO 37 lone 8 99 - 8 - 6676/2.3=2, ~6676=2...(4) HA THR 116 - HG2 PRO 37 lone 6 71 - 8 - 6676/2.3=1, 6703/2.3=1 HB3 ASN 79 - HG2 PRO 37 lone 5 60 - 8 - ~6698=2, ~6695=2, ~7380=1 HA LYS 119 - HG2 PRO 37 lone 5 78 - 6 - 6676/2.3=1 HA3 GLY 104 - HG2 PRO 37 lone 4 100 - 4 - Peak 6691 from cnoeabs.peaks (5.10, 2.20, 27.36 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.91: HA ASP 36 + HG2 PRO 37 OK 91 100 - 91 - 6692/2.3=48, 6693/2.3=47...(8) Peak 6692 from cnoeabs.peaks (5.10, 3.43, 50.16 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.86: HA ASP 36 + HD2 PRO 37 OK 86 100 - 86 - 3.8=65, 6693/1.8=35...(7) Peak 6693 from cnoeabs.peaks (5.10, 4.04, 50.16 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.84: HA ASP 36 + HD3 PRO 37 OK 84 99 - 84 - 3.8=62, 6692/1.8=34...(7) Peak 6694 from cnoeabs.peaks (2.55, 4.04, 50.16 ppm; 4.92 A): 1 out of 5 assignments used, quality = 1.00: HB3 ASP 36 + HD3 PRO 37 OK 100 100 - 100 - 4.8=100 HE3 LYS 46 - HD3 PRO 37 OK 39 98 - 40 - 6697/1.8=8, 8274=8...(15) HE2 LYS 65 - HD3 PRO 37 OK 15 92 - 15 - 6697/1.8=4, 8274=2...(6) HG3 GLN 103 - HD3 PRO 37 poor 9 60 - 14 - 4748/4.8=3, 5.0/507=3 HG2 GLU 82 - HD3 PRO 37 lone 3 57 - 5 - Peak 6695 from cnoeabs.peaks (2.84, 4.04, 50.16 ppm; 5.37 A): 1 out of 10 assignments used, quality = 1.00: HB2 ASP 36 + HD3 PRO 37 OK 100 100 - 100 - 4.8=100 HB2 CYS 76 - HD3 PRO 37 OK 19 85 - 23 - 4.7/5542=6, ~7326=3...(8) HB2 ASN 79 - HD3 PRO 37 OK 15 100 - 15 - 2640/3.8=3, 924/4.8=2...(5) HB2 TYR 67 - HD3 PRO 37 OK 14 100 - 14 - 2640/3.8=3, ~6698=2...(6) HB3 TYR 67 - HD3 PRO 37 OK 14 100 - 14 - 2640/3.8=3, ~6698=2...(6) HB2 ASN 99 - HD3 PRO 37 lone 9 100 - 9 - 2640/3.8=2, 924/4.8=2 HB3 PHE 107 - HD3 PRO 37 lone 8 99 - 8 - 2640/3.8=1 HE3 LYS 119 - HD3 PRO 37 lone 4 73 - 6 - HE2 LYS 119 - HD3 PRO 37 lone 4 71 - 6 - HG CYS 52 - HD3 PRO 37 lone 3 93 - 3 - Peak 6696 from cnoeabs.peaks (0.49, 4.04, 50.16 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.95: QG2 ILE 34 + HD3 PRO 37 OK 95 97 - 97 - 6687/1.8=42, 6673/3.6=38...(13) Peak 6697 from cnoeabs.peaks (2.55, 3.43, 50.16 ppm; 5.07 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 36 + HD2 PRO 37 OK 100 100 - 100 - 4.8=100 HE3 LYS 46 - HD2 PRO 37 OK 28 93 - 30 - 6694/1.8=10, 2641/3.8=5...(9) HE2 LYS 65 - HD2 PRO 37 OK 13 97 - 13 - 6694/1.8=4, 2641/3.8=2...(5) Peak 6698 from cnoeabs.peaks (2.86, 3.43, 50.16 ppm; 5.21 A): 2 out of 10 assignments used, quality = 0.86: HB2 ASP 36 + HD2 PRO 37 OK 85 85 - 100 - 4.8=100 HB2 ASN 79 + HD2 PRO 37 OK 10 89 - 12 - 2640/3.8=2, 6695/1.8=2...(5) HB3 TYR 67 - HD2 PRO 37 poor 9 81 - 11 - ~6695=2, 2640/3.8=2...(6) HB2 TYR 67 - HD2 PRO 37 poor 9 81 - 11 - ~6695=2, 2640/3.8=2...(6) HB2 ASN 99 - HD2 PRO 37 lone 5 85 - 6 - 924/4.8=2, 2640/3.8=1 HB3 PHE 107 - HD2 PRO 37 lone 5 90 - 6 - HE3 LYS 119 - HD2 PRO 37 lone 4 100 - 4 - HE2 LYS 119 - HD2 PRO 37 lone 4 100 - 4 - HB3 ASN 12 - HD2 PRO 37 lone 3 73 - 4 - 4.6/5541=2 HG CYS 52 - HD2 PRO 37 lone 3 99 - 3 - Peak 6699 from cnoeabs.peaks (7.10, 4.14, 65.35 ppm; 4.51 A): 3 out of 5 assignments used, quality = 0.73: QD PHE 40 + HA PRO 37 OK 62 85 - 73 - 2.5/5998=25, 2.5/6000=22...(14) QD PHE 83 + HA PRO 37 OK 19 95 - 20 - 4.6/5997=3, 2.5/4198=3...(8) H LEU 93 + HA PRO 37 OK 15 98 - 15 - 1496/3.6=3, 453/2.3=2...(4) HZ PHE 96 - HA PRO 37 lone 8 81 - 10 - 2.2/4716=2, 3.8/4707=2 HE ARG 92 - HA PRO 37 lone 5 99 - 5 - Peak 6700 from cnoeabs.peaks (8.77, 2.20, 27.36 ppm; 5.22 A): 2 out of 4 assignments used, quality = 0.80: H GLU 15 + HG2 PRO 37 OK 76 100 - 76 - 6701/1.8=24, 6702/2.3=23...(13) H ASN 99 + HG2 PRO 37 OK 18 89 - 20 - 6702/2.3=5, 6701/1.8=5...(6) H ARG 85 - HG2 PRO 37 poor 8 76 - 11 - 6701/1.8=3, 6702/2.3=3 H THR 23 - HG2 PRO 37 lone 5 71 - 7 - 6702/2.3=2, 6701/1.8=2 Peak 6701 from cnoeabs.peaks (8.76, 2.05, 27.36 ppm; 5.12 A): 3 out of 8 assignments used, quality = 0.77: H GLU 15 + HG3 PRO 37 OK 70 99 - 71 - 6700/1.8=27, 6702/2.3=23...(10) H ASN 99 + HG3 PRO 37 OK 14 76 - 18 - 6700/1.8=6, 6702/2.3=5...(6) H GLU 15 + HG3 PRO 60 OK 11 86 - 13 - 6702/2.3=3, 6700/2689=2...(4) H ARG 85 - HG3 PRO 37 poor 9 89 - 10 - 6700/1.8=3, 6702/2.3=3 H ARG 85 - HG3 PRO 60 poor 7 73 - 10 - ~4281=3, 6702/2.3=1, 6.2/3479=1 H THR 23 - HG3 PRO 37 lone 5 85 - 6 - 6700/1.8=2, 6702/2.3=2 H ASN 99 - HG3 PRO 60 lone 2 61 - 3 - H THR 23 - HG3 PRO 60 lone 2 69 - 2 - Peak 6702 from cnoeabs.peaks (8.76, 1.79, 31.19 ppm; 5.18 A): 3 out of 8 assignments used, quality = 0.86: H GLU 15 + HB2 PRO 37 OK 81 99 - 82 - 6700/2.3=26, 6701/2.3=22...(13) H ASN 99 + HB2 PRO 37 OK 16 76 - 21 - 6700/2.3=6, 6701/2.3=4...(7) H ARG 85 + HB2 PRO 37 OK 10 89 - 12 - 6701/2.3=3, 6700/2.3=3 H GLU 15 - HB2 PRO 60 poor 9 59 - 16 - 6701/2.3=3, 8666=2...(5) H THR 23 - HB2 PRO 37 lone 6 85 - 7 - 6700/2.3=2, 6701/2.3=2 H ARG 85 - HB2 PRO 60 lone 4 48 - 8 - ~4281=3, 6701/2.3=2 H ASN 99 - HB2 PRO 60 lone 1 39 - 3 - H THR 23 - HB2 PRO 60 lone 1 45 - 2 - Peak 6703 from cnoeabs.peaks (3.85, 2.21, 31.19 ppm; 4.25 A): 6 out of 30 assignments used, quality = 0.89: HA GLU 15 + HB3 PRO 37 OK 59 100 - 59 - 8188/1.8=13, 8189=11...(11) HA LEU 77 + HB3 PRO 37 OK 49 97 - 50 - 6676/1.8=9, 6690/2.3=6...(17) HB2 SER 35 + HB3 PRO 37 OK 20 99 - 20 - ~6655=12, 6690/2.3=4, 6676/1.8=3 HA THR 19 + HB3 PRO 37 OK 14 99 - 14 - 6676/1.8=3, 6690/2.3=2...(7) HB2 SER 13 + HB VAL 26 OK 14 58 - 24 - ~6506=3, ~6510=3...(10) HA THR 33 + HB3 PRO 37 OK 13 96 - 14 - ~130=3, ~5996=3...(4) HB2 SER 13 - HB3 PRO 37 poor 8 78 - 11 - 4.5/6301=3, 6690/2.3=2 HA THR 116 - HB3 PRO 37 lone 6 85 - 7 - 3.6/1371=2, 6676/1.8=1 HB THR 33 - HB3 PRO 37 lone 6 95 - 7 - 6676/1.8=2, ~6676=1...(4) HA LEU 77 - HB VAL 26 lone 5 76 - 7 - ~8216=2 HA LYS 119 - HB3 PRO 37 lone 5 90 - 5 - 6676/1.8=1 HA GLU 15 - HB VAL 26 lone 4 83 - 5 - HA THR 33 - HB VAL 26 lone 4 75 - 5 - ~8229=1, ~8234=1 HA3 GLY 104 - HB3 PRO 37 lone 3 99 - 3 - HA THR 19 - HB VAL 26 lone 3 81 - 4 - HB2 SER 13 - HB VAL 49 lone 3 33 - 9 - ~6289=2, 6288/2.1=1...(4) HB2 SER 35 - HB VAL 26 lone 2 79 - 3 - HA LYS 119 - HB VAL 26 lone 2 69 - 3 - ~8232=1 HA THR 19 - HB VAL 49 lone 2 48 - 4 - 5461/3.9=1 HB THR 33 - HB VAL 26 lone 2 74 - 2 - HA THR 33 - HB VAL 49 lone 2 44 - 4 - HA THR 116 - HB VAL 26 lone 1 64 - 2 - HA LEU 77 - HB VAL 49 lone 1 45 - 3 - HA LYS 119 - HB VAL 49 lone 1 40 - 3 - HA GLU 15 - HB VAL 49 lone 1 50 - 2 - HA THR 116 - HB VAL 49 lone 1 36 - 2 - HA3 GLY 104 - HB VAL 26 lone 1 80 - 1 - HB2 SER 35 - HB VAL 49 lone 1 47 - 2 - HB THR 33 - HB VAL 49 lone 0 43 - 1 - HA3 GLY 104 - HB VAL 49 lone 0 48 - 1 - Peak 6706 from cnoeabs.peaks (4.04, 3.76, 61.13 ppm; 4.75 A): 3 out of 8 assignments used, quality = 0.94: HD3 PRO 37 + HA GLU 38 OK 80 99 - 81 - ~150=19, 151/3.0=16...(25) HA ALA 14 + HA GLU 38 OK 59 93 - 64 - 2.1/6311=21, 3.0/24=10...(15) HA PHE 107 + HA GLU 38 OK 24 60 - 39 - 3.7/6720=16, 5.6/6721=15...(6) HA LEU 55 - HA GLU 38 OK 23 81 - 28 - 3.0/244=5, 151/3.0=4...(9) HA LYS 109 - HA GLU 38 OK 13 89 - 15 - 151/3.0=3, 2.9/2701=1 HA GLN 16 - HA GLU 38 OK 12 100 - 12 - 151/3.0=2, 6716/4.0=1...(4) HA TYR 102 - HA GLU 38 OK 12 97 - 13 - 2.9/6003=3, 151/3.0=3 HA SER 112 - HA GLU 38 OK 11 76 - 15 - 3.0/6009=7, 151/3.0=2 Peak 6707 from cnoeabs.peaks (1.45, 3.76, 61.13 ppm; 3.36 A): 5 out of 15 assignments used, quality = 0.76: QB ALA 14 + HA GLU 38 OK 44 92 - 48 - 6311=16, 6314/3.0=7...(13) HG3 ARG 57 + HA GLU 38 OK 25 89 - 29 - 3.0/6076=4, 3.0/6074=3...(9) HB3 GLU 75 + HA GLU 38 OK 23 100 - 23 - 4.0/1643=3, 6704/3.0=3...(11) HB2 LEU 93 + HA GLU 38 OK 17 92 - 18 - 3.1/6709=2, 6704/3.0=2...(7) HG LEU 24 + HA GLU 38 OK 12 100 - 12 - 2215/3.6=2, 2.1/6467=2 HB3 LEU 101 - HA GLU 38 lone 9 97 - 9 - 4.0/6721=2, 4658/6721=1 HB3 LEU 91 - HA GLU 38 poor 9 81 - 11 - 3.1/6709=2, 3.1/7587=1...(4) HG2 LYS 119 - HA GLU 38 lone 6 97 - 7 - HB3 LEU 45 - HA GLU 38 lone 6 100 - 6 - 3.0/6005=1 HG3 LYS 31 - HA GLU 38 lone 6 95 - 6 - 4.7/6003=2 QB ALA 89 - HA GLU 38 lone 6 97 - 6 - 3.6/1719=1 HD2 LYS 46 - HA GLU 38 lone 6 99 - 6 - HD2 LYS 65 - HA GLU 38 lone 4 99 - 4 - HD3 LYS 65 - HA GLU 38 lone 4 99 - 4 - QB ALA 98 - HA GLU 38 lone 2 65 - 3 - Peak 6708 from cnoeabs.peaks (0.91, 3.76, 61.13 ppm; 3.96 A): 11 out of 15 assignments used, quality = 0.95: QD1 LEU 41 + HA GLU 38 OK 42 81 - 52 - 3.1/6005=11, 4.9/6009=10...(14) QD2 LEU 41 + HA GLU 38 OK 41 78 - 53 - 3.1/6005=11, 4.9/6009=10...(14) HB2 GLN 42 + HA GLU 38 OK 34 99 - 34 - 4.0/6009=12, 1.8/6007=5...(7) QD2 LEU 27 + HA GLU 38 OK 28 96 - 29 - 2.1/6007=5, 4.4/6722=4...(9) QD1 LEU 27 + HA GLU 38 OK 25 92 - 27 - 2.1/6007=5, 4.4/6722=4...(8) QD1 ILE 63 + HA GLU 38 OK 16 57 - 28 - 3.2/6709=4, 2.1/6710=2...(9) QD1 LEU 117 + HA GLU 38 OK 16 100 - 16 - 7086=2, 6712/4.0=1, 6712/4.0=1 QD1 LEU 55 + HA GLU 38 OK 12 73 - 16 - 3.1/6005=3, 4.6/244=3...(5) QG2 VAL 115 + HA GLU 38 OK 12 95 - 12 - 7972=4 QG2 VAL 49 + HA GLU 38 OK 11 98 - 11 - ~8407=1, 6730/3.6=1 QG2 ILE 22 + HA GLU 38 OK 10 95 - 11 - 6428/3.6=2 QG1 VAL 49 - HA GLU 38 poor 7 60 - 11 - 8406/3.6=2, 8407/3.0=1 QD1 ILE 124 - HA GLU 38 lone 4 73 - 5 - QD1 LEU 126 - HA GLU 38 lone 3 100 - 3 - QD2 LEU 59 - HA GLU 38 lone 3 60 - 5 - 7086=1, 2.1/7083=1 Peak 6709 from cnoeabs.peaks (0.75, 3.76, 61.13 ppm; 4.64 A): 7 out of 7 assignments used, quality = 0.92: HG LEU 111 + HA GLU 38 OK 49 100 - 49 - 2.1/7900=12, ~7910=5...(20) QG2 ILE 63 + HA GLU 38 OK 40 99 - 40 - 7139/3.0=4, 2.1/2702=3...(18) QD2 LEU 111 + HA GLU 38 OK 38 81 - 47 - 2.1/7900=12, ~7910=5...(18) QD2 LEU 93 + HA GLU 38 OK 31 100 - 31 - 3.1/6707=4, ~5806=3...(11) QD1 LEU 91 + HA GLU 38 OK 21 97 - 22 - 7588=4, 2.1/7587=3...(5) QG2 VAL 66 + HA GLU 38 OK 14 85 - 16 - 7196/3.6=3, ~7202=2...(5) QD1 LEU 84 + HA GLU 38 OK 13 99 - 13 - 4796/6721=2, 4.6/6003=2 Peak 6710 from cnoeabs.peaks (1.80, 3.76, 61.13 ppm; 4.47 A): 4 out of 12 assignments used, quality = 0.94: HB2 PRO 37 + HA GLU 38 OK 70 89 - 79 - ~150=13, ~148=12...(31) HB3 ARG 57 + HA GLU 38 OK 55 98 - 57 - 6076=12, 3.7/1639=6...(28) HG LEU 41 + HA GLU 38 OK 34 60 - 57 - 3.0/6005=13, 3.0/6007=12...(15) HB3 GLU 56 + HA GLU 38 OK 29 97 - 30 - 4.6/1639=5, 6076=3...(10) HG13 ILE 63 - HA GLU 38 OK 27 89 - 30 - 3.2/6709=6, 3.0/2702=3...(11) HB2 PRO 60 - HA GLU 38 OK 24 100 - 24 - 2.3/6005=5, 146/3.0=2...(6) HG2 GLU 75 - HA GLU 38 OK 23 97 - 24 - 3.0/6707=5, 5.1/1643=4...(6) HB2 GLU 75 - HA GLU 38 OK 21 63 - 34 - 1.8/6707=6, 4.0/1643=5...(10) HG3 ARG 53 - HA GLU 38 OK 11 73 - 15 - 5.0/6004=2, ~3129=1...(5) HB2 LYS 32 - HA GLU 38 OK 10 89 - 11 - 1.8/6007=2, 5527/3.6=2...(4) HB3 GLN 105 - HA GLU 38 lone 9 92 - 9 - 4778/3.6=2, 4.0/5548=2 HB3 ARG 92 - HA GLU 38 lone 3 100 - 3 - Peak 6711 from cnoeabs.peaks (1.46, 2.24, 37.59 ppm; 3.18 A): 8 out of 30 assignments used, quality = 0.86: QB ALA 14 + HG2 GLU 38 OK 41 98 - 42 - 6310=8, 6311/4.0=7...(15) QB ALA 14 + HG3 GLU 38 OK 41 98 - 42 - 6310=8, 6311/4.0=7...(15) HG3 ARG 57 + HG2 GLU 38 OK 17 97 - 18 - 6707/4.0=2, 3325/3.0=2...(5) HG3 ARG 57 + HG3 GLU 38 OK 17 97 - 18 - 6707/4.0=2, 3325/3.0=2...(5) HB2 LEU 93 + HG2 GLU 38 OK 14 98 - 14 - 6707/4.0=2, 3.1/8524=1...(4) HB2 LEU 93 + HG3 GLU 38 OK 14 98 - 14 - 6707/4.0=2, 3.1/8524=1...(4) HB3 GLU 75 + HG3 GLU 38 OK 13 99 - 13 - 6707/4.0=2, 6704/5.0=1...(5) HB3 GLU 75 + HG2 GLU 38 OK 13 99 - 13 - 6707/4.0=2, 6704/5.0=1...(5) HG LEU 24 - HG2 GLU 38 lone 6 99 - 6 - 2215/4.9=1, 6707/4.0=1 HG LEU 24 - HG3 GLU 38 lone 6 99 - 6 - 2215/4.9=1, 6707/4.0=1 HG2 LYS 119 - HG2 GLU 38 lone 4 100 - 4 - HG2 LYS 119 - HG3 GLU 38 lone 4 100 - 4 - HB3 LEU 101 - HG2 GLU 38 lone 4 89 - 4 - HB3 LEU 101 - HG3 GLU 38 lone 4 89 - 4 - HB3 LEU 91 - HG2 GLU 38 lone 3 65 - 5 - HB3 LEU 91 - HG3 GLU 38 lone 3 65 - 5 - HG3 LYS 31 - HG2 GLU 38 lone 3 99 - 3 - HG3 LYS 31 - HG3 GLU 38 lone 3 99 - 3 - HD2 LYS 46 - HG2 GLU 38 lone 3 100 - 3 - HD2 LYS 46 - HG3 GLU 38 lone 3 100 - 3 - HD3 LYS 65 - HG2 GLU 38 lone 3 95 - 3 - HD2 LYS 65 - HG2 GLU 38 lone 3 95 - 3 - HD2 LYS 65 - HG3 GLU 38 lone 3 94 - 3 - HD3 LYS 65 - HG3 GLU 38 lone 3 94 - 3 - HB3 LEU 45 - HG2 GLU 38 lone 3 99 - 3 - HB3 LEU 45 - HG3 GLU 38 lone 3 99 - 3 - QB ALA 89 - HG3 GLU 38 lone 2 90 - 2 - QB ALA 89 - HG2 GLU 38 lone 2 90 - 2 - HG2 LYS 109 - HG2 GLU 38 lone 2 73 - 3 - HG2 LYS 109 - HG3 GLU 38 lone 2 73 - 3 - Peak 6712 from cnoeabs.peaks (0.92, 2.24, 37.59 ppm; 4.39 A): 16 out of 22 assignments used, quality = 0.95: QD1 ILE 63 + HG2 GLU 38 OK 25 85 - 29 - 7127/4.9=3, 3.2/7140=2...(12) QD1 ILE 63 + HG3 GLU 38 OK 25 85 - 29 - 7127/4.9=3, 3.2/7140=2...(12) QD1 LEU 117 + HG2 GLU 38 OK 20 95 - 21 - 2.1/5168=2, 3.1/5140=2...(11) QD1 LEU 117 + HG3 GLU 38 OK 20 94 - 21 - 2.1/5168=2, 3.1/5140=2...(11) QD1 LEU 41 + HG2 GLU 38 OK 19 97 - 20 - 6708/4.0=4, 2812/5.0=3...(5) QD1 LEU 41 + HG3 GLU 38 OK 19 97 - 20 - 6708/4.0=4, 2812/5.0=3...(5) QD2 LEU 27 + HG2 GLU 38 OK 17 100 - 17 - 6708/4.0=3, 4.4/6719=2...(6) QD2 LEU 27 + HG3 GLU 38 OK 17 100 - 17 - 6708/4.0=3, 4.4/6719=2...(6) QD1 LEU 27 + HG2 GLU 38 OK 16 100 - 16 - 6708/4.0=2, 4.4/6719=2...(4) QD1 LEU 27 + HG3 GLU 38 OK 16 100 - 16 - 6708/4.0=2, 4.4/6719=2...(4) HB2 GLN 42 + HG2 GLU 38 OK 15 100 - 15 - 6708/4.0=3, 6773/6718=2...(5) HB2 GLN 42 + HG3 GLU 38 OK 15 100 - 15 - 6708/4.0=3, 6773/6718=2...(5) QD1 LEU 55 + HG2 GLU 38 OK 12 95 - 12 - ~7016=1, 4.8/1035=1...(5) QD1 LEU 55 + HG3 GLU 38 OK 12 94 - 12 - 4.8/1035=1, ~7016=1...(5) QG2 ILE 22 + HG2 GLU 38 OK 11 100 - 11 - 6428/4.9=2, 3.0/6713=1 QG2 ILE 22 + HG3 GLU 38 OK 11 100 - 11 - 6428/4.9=2, 2160/6713=1 QG2 VAL 115 - HG2 GLU 38 lone 8 100 - 8 - 7972/4.0=2 QG2 VAL 115 - HG3 GLU 38 lone 8 100 - 8 - 7972/4.0=2 QG2 VAL 49 - HG2 GLU 38 lone 8 100 - 8 - 6730/4.9=1, 6708/4.0=1 QG2 VAL 49 - HG3 GLU 38 lone 8 100 - 8 - 6730/4.9=1, 6708/4.0=1 QD1 LEU 126 - HG2 GLU 38 lone 2 93 - 2 - QD1 LEU 126 - HG3 GLU 38 lone 2 93 - 2 - Peak 6713 from cnoeabs.peaks (0.79, 2.24, 37.59 ppm; 3.81 A): 2 out of 10 assignments used, quality = 0.73: QD1 LEU 111 + HG2 GLU 38 OK 48 100 - 48 - 7908=11, 7908/1.8=9...(13) QD1 LEU 111 + HG3 GLU 38 OK 48 100 - 48 - 7908=11, 7908/1.8=9...(13) QG2 VAL 66 - HG2 GLU 38 lone 8 83 - 10 - 7196/4.9=2, 2.1/7181=1...(5) QG2 VAL 66 - HG3 GLU 38 lone 8 83 - 10 - 7196/4.9=2, 2.1/7181=1...(5) QD2 LEU 91 - HG2 GLU 38 lone 5 76 - 7 - 7587/4.0=1, 2.1/6714=1 QD2 LEU 91 - HG3 GLU 38 lone 5 76 - 7 - 7587/4.0=1, 2.1/6714=1 QD1 ILE 22 - HG2 GLU 38 lone 4 99 - 4 - QD1 ILE 22 - HG3 GLU 38 lone 4 99 - 4 - HB2 ASN 118 - HG2 GLU 38 lone 1 60 - 2 - HB2 ASN 118 - HG3 GLU 38 lone 1 60 - 2 - Peak 6714 from cnoeabs.peaks (0.73, 2.24, 37.59 ppm; 4.05 A): 8 out of 16 assignments used, quality = 0.94: QD2 LEU 111 + HG2 GLU 38 OK 48 100 - 48 - 2.1/6713=14, ~6713=9...(15) QD2 LEU 111 + HG3 GLU 38 OK 48 100 - 48 - 2.1/6713=14, ~6713=9...(15) HG LEU 111 + HG2 GLU 38 OK 39 83 - 47 - 2.1/6713=14, ~6713=9...(15) HG LEU 111 + HG3 GLU 38 OK 39 83 - 47 - 2.1/6713=14, ~6713=9...(15) QD2 LEU 93 + HG2 GLU 38 OK 16 73 - 22 - 2.1/8524=2, 3.1/6711=2...(7) QD2 LEU 93 + HG3 GLU 38 OK 16 73 - 22 - 2.1/8524=2, 3.1/6711=2...(7) QD1 LEU 114 + HG2 GLU 38 OK 11 99 - 11 - 2.1/7958=1, 4.0/6239=1, ~7958=1 QD1 LEU 114 + HG3 GLU 38 OK 11 99 - 11 - 2.1/7958=1, ~7958=1, 4.0/6239=1 QD1 LEU 91 - HG2 GLU 38 poor 10 95 - 10 - 7588/4.0=2, 2.1/6713=2, ~6713=1 QD1 LEU 91 - HG3 GLU 38 poor 10 94 - 10 - 7588/4.0=2, 2.1/6713=2, ~6713=1 QD2 LEU 54 - HG2 GLU 38 poor 8 73 - 11 - ~8503=3, ~6990=2...(4) QD2 LEU 54 - HG3 GLU 38 poor 8 73 - 11 - ~8503=3, ~6990=2...(4) HG3 GLU 75 - HG2 GLU 38 poor 6 63 - 10 - 3.0/7316=2, 5.1/7305=2...(4) HG3 GLU 75 - HG3 GLU 38 poor 6 63 - 10 - 3.0/7316=2, 5.1/7305=2...(4) QD1 LEU 84 - HG3 GLU 38 lone 5 89 - 6 - QD1 LEU 84 - HG2 GLU 38 lone 5 89 - 6 - Peak 6715 from cnoeabs.peaks (0.96, 1.94, 29.14 ppm; 4.93 A): 9 out of 27 assignments used, quality = 0.83: QD1 ILE 63 + HB2 GLU 38 OK 35 92 - 38 - 7127/4.4=5, 3.2/7139=4...(16) QD1 LEU 41 + HB2 GLU 38 OK 29 73 - 40 - ~6008=8, ~6005=7...(12) QD1 ILE 63 + HB3 ARG 85 OK 16 90 - 18 - 7507/4.7=5, 7152/3.0=3...(4) QD1 ILE 63 + HB2 ARG 85 OK 16 90 - 18 - 7507/4.7=5, 7152/3.0=3...(4) QD1 LEU 41 + HB2 ARG 85 OK 13 71 - 18 - 7507/4.7=3, 4.3/5771=2...(8) QD1 LEU 41 + HB3 ARG 85 OK 13 71 - 18 - 7507/4.7=3, 4.3/5771=2...(8) QD1 LEU 27 + HB2 ARG 85 OK 11 55 - 20 - 7507/4.7=3, ~4279=2...(10) QD1 LEU 27 + HB3 ARG 85 OK 11 55 - 20 - 7507/4.7=3, ~4279=2...(10) QD1 LEU 55 + HB2 GLU 38 OK 11 81 - 14 - ~6005=2, ~7014=2...(7) QD1 LEU 27 - HB2 GLU 38 poor 10 57 - 17 - ~6007=4, ~6708=3...(5) QG2 THR 95 - HB3 ARG 85 lone 8 83 - 10 - 4.0/468=3, 3.2/6144=1...(4) QG2 THR 95 - HB2 ARG 85 lone 8 83 - 10 - 4.0/468=3, 3.2/6144=1...(4) QD1 LEU 55 - HB2 ARG 85 lone 8 78 - 10 - 7507/4.7=5, ~7013=1 QD1 LEU 55 - HB3 ARG 85 lone 8 78 - 10 - 7507/4.7=5, ~7013=1 QG1 VAL 18 - HB3 ARG 85 poor 7 58 - 12 - ~7494=3, 3.2/5974=1...(5) QG1 VAL 18 - HB2 ARG 85 poor 7 58 - 12 - ~7494=3, 3.2/5974=1...(5) QG2 ILE 124 - HB3 ARG 85 lone 6 99 - 6 - 7507/4.7=2, 8124/3.0=1 QG2 ILE 124 - HB2 ARG 85 lone 6 99 - 6 - 7507/4.7=2, 8124/3.0=1 QG2 THR 95 - HB2 GLU 38 lone 6 85 - 7 - 4.0/468=2 QG2 ILE 124 - HB2 GLU 38 lone 5 100 - 5 - HG3 LYS 65 - HB2 GLU 38 lone 4 71 - 6 - 4.9/301=2 HG2 LYS 65 - HB2 GLU 38 lone 4 71 - 6 - 4.9/301=2 QG1 VAL 18 - HB2 GLU 38 lone 4 60 - 6 - ~8402=1 HG2 LYS 65 - HB2 ARG 85 lone 3 69 - 4 - HG3 LYS 65 - HB3 ARG 85 lone 3 69 - 4 - HG3 LYS 65 - HB2 ARG 85 lone 3 69 - 4 - HG2 LYS 65 - HB3 ARG 85 lone 3 69 - 4 - Peak 6716 from cnoeabs.peaks (4.02, 2.24, 37.59 ppm; 4.77 A): 4 out of 14 assignments used, quality = 0.94: HA ALA 14 + HG2 GLU 38 OK 59 100 - 59 - 6302=10, 2.1/6310=9...(17) HA ALA 14 + HG3 GLU 38 OK 59 100 - 59 - 6302=10, 2.1/6310=9...(17) HD3 PRO 37 + HG3 GLU 38 OK 38 83 - 46 - 151/5.0=9, 6706/4.0=8...(20) HD3 PRO 37 + HG2 GLU 38 OK 38 83 - 46 - 151/5.0=9, 6706/4.0=8...(20) HA PHE 107 - HG2 GLU 38 OK 26 89 - 29 - 3.7/6717=11, 5.6/6718=9...(6) HA PHE 107 - HG3 GLU 38 OK 26 89 - 29 - 3.7/6717=11, 5.6/6718=9...(6) HA GLN 16 - HG2 GLU 38 OK 13 98 - 13 - 3.0/33=2, ~33=2...(4) HA GLN 16 - HG3 GLU 38 OK 13 98 - 13 - 3.0/33=2, ~33=2...(4) HA LYS 109 - HG2 GLU 38 lone 5 60 - 9 - 151/5.0=2, 6706/4.0=1 HA LYS 109 - HG3 GLU 38 lone 5 60 - 9 - 151/5.0=2, 6706/4.0=1 HA TYR 102 - HG2 GLU 38 lone 4 76 - 5 - 151/5.0=2, 6706/4.0=1 HA TYR 102 - HG3 GLU 38 lone 4 76 - 5 - 151/5.0=2, 6706/4.0=1 HA THR 62 - HG3 GLU 38 lone 2 60 - 3 - HA THR 62 - HG2 GLU 38 lone 2 60 - 3 - Peak 6717 from cnoeabs.peaks (7.19, 2.24, 37.59 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.91: QD PHE 107 + HG2 GLU 38 OK 70 100 - 70 - 2.2/6718=15, 4800=14...(17) QD PHE 107 + HG3 GLU 38 OK 70 100 - 70 - 2.2/6718=15, 4800=14...(17) QD TYR 67 - HG2 GLU 38 OK 18 92 - 19 - 6720/4.0=4, 4816/4.9=3...(7) QD TYR 67 - HG3 GLU 38 OK 18 92 - 19 - 6720/4.0=4, 4816/4.9=3...(7) H LYS 65 - HG2 GLU 38 OK 10 60 - 17 - 304=2, 3.6/3545=2...(9) H LYS 65 - HG3 GLU 38 OK 10 60 - 17 - 304=2, 3.6/3545=2...(9) HE ARG 81 - HG2 GLU 38 lone 9 100 - 9 - 6720/4.0=2, 6724/3.0=1 HE ARG 81 - HG3 GLU 38 lone 9 100 - 9 - 6720/4.0=2, 6724/3.0=1 Peak 6718 from cnoeabs.peaks (6.99, 2.24, 37.59 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.90: QE PHE 107 + HG2 GLU 38 OK 69 100 - 69 - 6721/4.0=14, 4787=14...(17) QE PHE 107 + HG3 GLU 38 OK 69 100 - 69 - 6721/4.0=14, 4787=14...(17) H LEU 101 - HG2 GLU 38 poor 8 83 - 10 - 6721/4.0=3, 6726/3.0=1 H LEU 101 - HG3 GLU 38 poor 8 83 - 10 - 6721/4.0=3, 6726/3.0=1 HD22 ASN 108 - HG2 GLU 38 lone 6 89 - 6 - 6721/4.0=2 HD22 ASN 108 - HG3 GLU 38 lone 6 89 - 6 - 6721/4.0=2 Peak 6719 from cnoeabs.peaks (6.76, 2.24, 37.59 ppm; 4.62 A): 8 out of 14 assignments used, quality = 0.94: HZ PHE 107 + HG2 GLU 38 OK 60 97 - 62 - 2.2/6718=19, ~6718=13...(11) HZ PHE 107 + HG3 GLU 38 OK 60 97 - 62 - 2.2/6718=19, ~6718=13...(11) H LEU 27 + HG2 GLU 38 OK 16 99 - 16 - 6722/4.0=6, 1442/5.0=2...(6) H LEU 27 + HG3 GLU 38 OK 16 99 - 16 - 6722/4.0=6, 1442/5.0=2...(6) QE TYR 67 + HG2 GLU 38 OK 15 76 - 20 - 2.2/6717=4, ~4688=3...(7) QE TYR 67 + HG3 GLU 38 OK 15 76 - 20 - 2.2/6717=4, ~4688=3...(7) HE21 GLN 42 + HG2 GLU 38 OK 11 100 - 11 - 6722/4.0=5, 4852/6718=1...(4) HE21 GLN 42 + HG3 GLU 38 OK 11 100 - 11 - 6722/4.0=5, 4852/6718=1...(4) H VAL 110 - HG2 GLU 38 lone 6 73 - 8 - 6722/4.0=1 H VAL 110 - HG3 GLU 38 lone 6 73 - 8 - 6722/4.0=1 HD22 ASN 99 - HG2 GLU 38 lone 5 100 - 5 - 6722/4.0=1 HD22 ASN 99 - HG3 GLU 38 lone 5 100 - 5 - 6722/4.0=1 HH2 TRP 20 - HG2 GLU 38 lone 3 63 - 4 - HH2 TRP 20 - HG3 GLU 38 lone 3 63 - 4 - Peak 6720 from cnoeabs.peaks (7.19, 3.76, 61.13 ppm; 4.90 A): 4 out of 4 assignments used, quality = 0.89: QD PHE 107 + HA GLU 38 OK 78 100 - 78 - 2.2/6721=31, 3.8/6722=12...(18) QD TYR 67 + HA GLU 38 OK 30 92 - 32 - 4816/3.6=6, 4688/3.0=4...(9) HE ARG 81 + HA GLU 38 OK 18 100 - 18 - 4854/6721=3, 6724/3.0=2...(8) H LYS 65 + HA GLU 38 OK 12 60 - 20 - 4.6/2701=2, 4.6/2701=2...(8) Peak 6721 from cnoeabs.peaks (6.98, 3.76, 61.13 ppm; 4.16 A): 3 out of 4 assignments used, quality = 0.83: QE PHE 107 + HA GLU 38 OK 77 100 - 78 - 4782=25, 2.2/6720=15...(19) H LEU 101 + HA GLU 38 OK 18 93 - 19 - 6726/3.0=2, 4.6/6003=2...(9) HD22 ASN 108 + HA GLU 38 OK 11 97 - 11 - 6726/3.0=1, 6770/6009=1 HD22 ASN 12 - HA GLU 38 lone 4 65 - 7 - 6286/4.0=1, 6286/4.0=1 Peak 6722 from cnoeabs.peaks (6.76, 3.76, 61.13 ppm; 4.85 A): 4 out of 6 assignments used, quality = 0.90: HZ PHE 107 + HA GLU 38 OK 70 99 - 71 - 2.2/6721=31, 3.8/6720=16...(15) H LEU 27 + HA GLU 38 OK 40 100 - 40 - 4.1/6506=5, 4.1/6510=5...(15) HE21 GLN 42 + HA GLU 38 OK 33 100 - 33 - 6.5/6009=10, 4.4/6007=4...(10) QE TYR 67 + HA GLU 38 OK 17 63 - 26 - 2.2/6720=8, ~4688=3...(7) HD22 ASN 99 - HA GLU 38 lone 10 100 - 10 - 4852/6721=2, 4620/6720=1 H VAL 110 - HA GLU 38 poor 7 60 - 12 - 3.6/6706=2 Peak 6724 from cnoeabs.peaks (7.19, 1.94, 29.14 ppm; 5.01 A): 3 out of 12 assignments used, quality = 0.94: QD PHE 107 + HB2 GLU 38 OK 83 100 - 83 - 6720/3.0=19, ~6721=19...(16) QD PHE 107 + HB2 ARG 85 OK 41 99 - 42 - 2.2/6725=6, ~7500=6...(12) QD PHE 107 + HB3 ARG 85 OK 41 99 - 42 - 2.2/6725=6, ~7500=6...(12) QD TYR 67 - HB2 GLU 38 OK 28 92 - 30 - 6720/3.0=7, 4816/4.4=6...(7) HE ARG 81 - HB2 GLU 38 OK 16 100 - 16 - 6720/3.0=5, 6727/1.8=2...(5) H LYS 65 - HB2 GLU 38 OK 12 60 - 20 - 6720/3.0=3, 6727/1.8=2...(8) QD TYR 67 - HB2 ARG 85 lone 4 90 - 5 - QD TYR 67 - HB3 ARG 85 lone 4 90 - 5 - H LYS 65 - HB3 ARG 85 lone 4 58 - 7 - H LYS 65 - HB2 ARG 85 lone 4 58 - 7 - HE ARG 81 - HB2 ARG 85 lone 3 99 - 3 - HE ARG 81 - HB3 ARG 85 lone 3 99 - 3 - Peak 6725 from cnoeabs.peaks (6.99, 1.94, 29.14 ppm; 4.88 A): 3 out of 9 assignments used, quality = 0.96: QE PHE 107 + HB2 GLU 38 OK 84 100 - 84 - 6721/3.0=27, 6718/3.0=17...(16) QE PHE 107 + HB2 ARG 85 OK 49 99 - 50 - 7500/3.0=8, 7503/3.9=8...(16) QE PHE 107 + HB3 ARG 85 OK 49 99 - 50 - 7500/3.0=8, 7503/3.9=8...(16) HD22 ASN 108 - HB3 ARG 85 OK 32 87 - 38 - 7832/3.0=12, 7503/3.9=9...(5) HD22 ASN 108 - HB2 ARG 85 OK 32 87 - 38 - 7832/3.0=12, 7503/3.9=9...(5) H LEU 101 - HB3 ARG 85 OK 18 81 - 23 - 7503/3.9=6, 7500/3.0=5...(4) H LEU 101 - HB2 ARG 85 OK 18 81 - 23 - 7503/3.9=6, 7500/3.0=5...(4) H LEU 101 - HB2 GLU 38 OK 15 83 - 19 - 6721/3.0=6, 6726/1.8=3...(5) HD22 ASN 108 - HB2 GLU 38 OK 11 89 - 12 - 6721/3.0=4, 6726/1.8=2...(4) Peak 6726 from cnoeabs.peaks (6.98, 2.06, 29.14 ppm; 5.28 A): 3 out of 12 assignments used, quality = 0.92: QE PHE 107 + HB3 GLU 38 OK 84 99 - 86 - 6721/3.0=30, 6718/3.0=17...(16) QE PHE 107 + HB2 ARG 57 OK 31 93 - 34 - 2.2/6727=4, ~4774=3...(13) H LEU 101 + HB2 ARG 57 OK 22 92 - 24 - 3.6/7696=5, 498/3.5=4...(6) H LEU 101 - HB3 GLU 38 OK 20 98 - 20 - 6721/3.0=7, 6718/3.0=2...(6) HD22 ASN 108 - HB3 GLU 38 OK 12 99 - 12 - 6721/3.0=4, 6725/1.8=1...(4) HD22 ASN 12 - HB2 ARG 57 OK 11 71 - 15 - 3.5/6284=2, 1.7/3299=1...(9) HD22 ASN 12 - HB2 GLU 56 OK 10 28 - 36 - 6286/3.0=9, ~3279=6...(11) HD22 ASN 12 - HB3 GLU 38 poor 9 78 - 11 - 6286/3.0=3, 6286/3.0=3...(4) HD22 ASN 108 - HB2 ARG 57 lone 7 94 - 7 - QE PHE 107 - HB2 GLU 56 lone 4 40 - 10 - 4789/1.8=1, 4787/3.0=1 H LEU 101 - HB2 GLU 56 lone 1 40 - 3 - HD22 ASN 108 - HB2 GLU 56 lone 1 41 - 2 - Peak 6727 from cnoeabs.peaks (7.20, 2.06, 29.14 ppm; 5.31 A): 3 out of 18 assignments used, quality = 0.96: QD PHE 107 + HB3 GLU 38 OK 86 99 - 87 - ~6721=21, 6720/3.0=20...(17) HE ARG 81 + HB2 ARG 57 OK 54 86 - 63 - 2.9/4155=7, 8566/3.5=7...(21) QD TYR 67 + HB3 GLU 38 OK 37 100 - 37 - 6720/3.0=8, 4688=7...(9) QD PHE 107 - HB2 ARG 57 OK 33 93 - 35 - 2.2/6726=6, 4801=4...(15) H LYS 65 - HB3 GLU 38 OK 23 87 - 27 - 304/3.0=3, 304/3.0=3...(10) HE ARG 81 - HB3 GLU 38 OK 18 93 - 19 - 6720/3.0=5, 6724/1.8=3...(7) QD TYR 67 - HB2 ARG 57 OK 16 95 - 17 - 4688=3, ~4697=2, ~4692=1 QD TYR 102 - HB2 ARG 57 OK 12 58 - 20 - ~4758=3, ~4750=3...(8) H LYS 65 - HB2 ARG 57 OK 11 79 - 14 - 4.6/294=2, 303=2...(4) HE ARG 81 - HB2 GLU 56 poor 10 36 - 27 - 2.9/4155=4, 2.9/4147=3...(12) QD TYR 102 - HB3 GLU 38 poor 7 65 - 10 - ~4749=2, ~7758=2 QE PHE 40 - HB3 GLU 38 lone 7 73 - 9 - ~4676=3, 8146/4.4=1 QD PHE 107 - HB2 GLU 56 poor 4 40 - 10 - 4800/3.0=1, ~4789=1 QE PHE 40 - HB2 ARG 57 lone 3 66 - 4 - H LYS 65 - HB2 GLU 56 lone 3 32 - 9 - 304/3.0=2 QD TYR 67 - HB2 GLU 56 lone 2 42 - 6 - QE PHE 40 - HB2 GLU 56 lone 1 26 - 3 - QD TYR 102 - HB2 GLU 56 lone 1 22 - 3 - Peak 6728 from cnoeabs.peaks (7.09, 3.81, 47.07 ppm; 4.64 A): 2 out of 12 assignments used, quality = 0.50: H LEU 93 + HA2 GLY 88 OK 30 59 - 51 - 7549/3.0=12, 7593=11...(10) H LEU 93 + HA3 GLY 88 OK 29 57 - 51 - 7549/3.0=12, 7593=11...(10) H LEU 93 - HA3 GLY 39 lone 8 100 - 8 - 7593=2 QD PHE 83 - HA2 GLY 88 poor 7 36 - 21 - 7549/3.0=6, ~1709=5...(5) QD PHE 83 - HA3 GLY 88 poor 7 35 - 20 - 7549/3.0=6, ~1709=5...(5) HE ARG 92 - HA2 GLY 88 poor 7 46 - 14 - 5.9/7592=5, 7549/3.0=4 HE ARG 92 - HA3 GLY 88 poor 6 45 - 14 - 5.9/7592=5, 7549/3.0=4 QD PHE 83 - HA3 GLY 39 lone 5 73 - 7 - 941/3.6=4 HZ PHE 96 - HA2 GLY 88 lone 5 54 - 9 - 7549/3.0=5, 7518/6166=1 HZ PHE 96 - HA3 GLY 88 lone 5 53 - 9 - 7549/3.0=5, 7518/6166=1 HE ARG 92 - HA3 GLY 39 lone 3 89 - 3 - HZ PHE 96 - HA3 GLY 39 lone 2 97 - 2 - Peak 6732 from cnoeabs.peaks (2.25, 3.81, 47.07 ppm; 5.12 A): 5 out of 45 assignments used, quality = 0.96: HB2 PRO 70 + HA3 GLY 39 OK 52 97 - 54 - 3815/1.8=7, ~7272=7...(17) HG3 GLU 38 + HA3 GLY 39 OK 51 93 - 55 - 5552/2.9=11, ~5552=9...(10) HG2 GLU 38 + HA3 GLY 39 OK 50 92 - 55 - 5552/2.9=11, ~5552=9...(10) HB2 CYS 87 + HA2 GLY 88 OK 40 50 - 81 - 431/3.0=30, ~432=30...(10) HB2 CYS 87 + HA3 GLY 88 OK 39 49 - 81 - 431/3.0=30, ~432=30...(10) HG3 GLU 28 - HA3 GLY 39 OK 13 76 - 17 - 4.0/6544=4, 3.0/6566=3...(7) HG2 GLU 28 - HA3 GLY 39 OK 12 71 - 17 - 4.0/6544=4, 3.0/6566=3...(7) HG3 GLN 105 - HA3 GLY 39 lone 6 65 - 9 - ~4770=2, 5.0/2732=1, ~4778=1 HG2 GLN 105 - HA3 GLY 39 lone 6 63 - 9 - ~4770=2, 5.0/2732=1, ~4778=1 HB2 CYS 87 - HA3 GLY 39 lone 6 93 - 6 - 3.0/6166=1, ~153=1 HG3 GLU 64 - HA3 GLY 39 lone 5 87 - 6 - 157/2.9=1 HB2 PRO 68 - HA3 GLY 39 lone 5 81 - 6 - ~7224=2 HB3 LEU 117 - HA3 GLY 39 lone 5 78 - 6 - HG2 GLU 56 - HA3 GLY 39 lone 5 98 - 5 - HG3 GLU 94 - HA3 GLY 39 lone 5 93 - 5 - HG2 GLU 94 - HA3 GLY 39 lone 5 90 - 5 - HG3 GLU 28 - HA2 GLY 88 poor 4 38 - 10 - 4.0/6544=2, 3.0/6566=2, ~6566=1 HG3 GLU 28 - HA3 GLY 88 poor 4 36 - 10 - 4.0/6544=2, 3.0/6566=2, ~6566=1 HG2 GLU 28 - HA2 GLY 88 poor 4 35 - 10 - 4.0/6544=2, 3.0/6566=2, ~6566=1 HG2 GLU 28 - HA3 GLY 88 poor 3 33 - 10 - 4.0/6544=2, 3.0/6566=2, ~6566=1 HG3 GLU 94 - HA2 GLY 88 lone 3 50 - 7 - 431/3.0=3 HG3 GLU 94 - HA3 GLY 88 lone 3 49 - 7 - 431/3.0=3 HG3 GLU 38 - HA2 GLY 88 lone 3 50 - 6 - 4.9/934=1, 431/3.0=1 HG2 GLU 38 - HA2 GLY 88 lone 3 49 - 6 - 4.9/934=1, 431/3.0=1 HG3 GLU 38 - HA3 GLY 88 lone 3 49 - 6 - 4.9/934=1, 431/3.0=1 HG2 GLU 38 - HA3 GLY 88 lone 3 47 - 6 - 4.9/934=1, 431/3.0=1 HG3 GLU 15 - HA3 GLY 39 lone 3 100 - 3 - HG2 GLU 94 - HA2 GLY 88 lone 3 48 - 6 - ~431=2 HG2 GLU 94 - HA3 GLY 88 lone 3 46 - 6 - ~431=2 HB2 PRO 70 - HA2 GLY 88 lone 2 53 - 4 - HB2 PRO 70 - HA3 GLY 88 lone 2 52 - 4 - HG2 GLU 56 - HA2 GLY 88 lone 2 55 - 3 - HG3 GLU 15 - HA2 GLY 88 lone 2 58 - 3 - HG2 GLU 56 - HA3 GLY 88 lone 2 53 - 3 - HB3 LEU 117 - HA3 GLY 88 lone 2 38 - 4 - 4.2/1783=1 HG3 GLU 15 - HA3 GLY 88 lone 2 56 - 3 - HB3 LEU 117 - HA2 GLY 88 lone 2 39 - 4 - 4.2/1783=1 HB2 PRO 68 - HA2 GLY 88 lone 1 41 - 3 - HB2 PRO 68 - HA3 GLY 88 lone 1 39 - 3 - HG3 GLN 105 - HA2 GLY 88 lone 1 32 - 4 - HG3 GLN 105 - HA3 GLY 88 lone 1 30 - 4 - HG2 GLN 105 - HA2 GLY 88 lone 1 30 - 4 - HG2 GLN 105 - HA3 GLY 88 lone 1 29 - 4 - HG3 GLU 64 - HA2 GLY 88 lone 1 45 - 2 - HG3 GLU 64 - HA3 GLY 88 lone 1 44 - 2 - Peak 6733 from cnoeabs.peaks (1.63, 3.81, 47.07 ppm; 5.45 A): 8 out of 54 assignments used, quality = 0.87: HB3 GLN 42 + HA3 GLY 39 OK 51 99 - 51 - 4.0/1592=15, 4.6/1599=12...(8) HB3 LEU 41 + HA3 GLY 39 OK 33 68 - 48 - 4.1/1584=15, 4.2/1592=14...(11) HB ILE 34 + HA3 GLY 39 OK 18 89 - 20 - ~6621=7, 6737/3.6=6...(4) HB3 LYS 32 + HA3 GLY 39 OK 17 98 - 18 - 6014/1.8=3, 5528/2.9=3...(7) HG LEU 27 + HA3 GLY 39 OK 14 78 - 18 - 5502/3.6=5, 6014/1.8=4...(5) HG LEU 101 + HA3 GLY 39 OK 13 97 - 14 - 5835/3.6=3, 2.1/6734=3...(5) HG2 PRO 30 + HA3 GLY 39 OK 12 89 - 13 - 5515/3.6=4, ~153=2...(4) HG3 ARG 85 + HA3 GLY 39 OK 10 92 - 11 - 6737/3.6=2, 6014/1.8=2...(4) HG12 ILE 63 - HA3 GLY 39 poor 9 63 - 15 - ~7127=5, 2.1/6734=3...(5) HG LEU 51 - HA3 GLY 39 lone 8 100 - 8 - ~6935=3, 6014/1.8=2, 6737/3.6=1 HD3 LYS 32 - HA3 GLY 39 lone 8 83 - 10 - ~6014=2, ~5528=2...(5) HD2 LYS 32 - HA3 GLY 39 lone 8 83 - 10 - ~6014=2, ~5528=2...(5) HD2 LYS 31 - HA3 GLY 39 lone 6 98 - 6 - 6014/1.8=1 HD3 LYS 31 - HA3 GLY 39 lone 6 98 - 6 - 6014/1.8=1 HG2 ARG 53 - HA3 GLY 39 lone 5 83 - 6 - 5835/3.6=2, 3145/1584=1 HB3 GLN 42 - HA2 GLY 88 lone 5 57 - 8 - 4.6/1599=3, 4.0/1592=3 HG LEU 101 - HA2 GLY 88 lone 5 53 - 9 - ~7552=3, ~7550=1 HG12 ILE 63 - HA2 GLY 88 poor 5 30 - 15 - ~7128=7, ~7554=4...(4) HG LEU 101 - HA3 GLY 88 lone 4 52 - 9 - ~7552=3, ~7550=1 HB3 GLN 42 - HA3 GLY 88 lone 4 55 - 8 - 4.6/1599=3, 4.0/1592=3 HG12 ILE 63 - HA3 GLY 88 poor 4 29 - 15 - ~7128=7, ~7554=4...(4) HB2 LEU 59 - HA2 GLY 88 lone 3 57 - 6 - ~7553=2 HB2 LEU 59 - HA3 GLY 39 lone 3 99 - 3 - HB2 LEU 59 - HA3 GLY 88 lone 3 55 - 6 - ~7553=2 HB3 LEU 41 - HA2 GLY 88 lone 3 33 - 9 - 4.1/1584=3, 4.2/1592=3 HB3 LEU 41 - HA3 GLY 88 lone 3 32 - 9 - 4.1/1584=3, 4.2/1592=2 HG3 ARG 85 - HA2 GLY 88 lone 3 49 - 5 - 7499/3.6=3 HG3 ARG 85 - HA3 GLY 88 lone 3 47 - 5 - 7499/3.6=3 HG LEU 51 - HA2 GLY 88 lone 2 58 - 4 - HB ILE 34 - HA2 GLY 88 lone 2 46 - 5 - ~6622=2 HB ILE 34 - HA3 GLY 88 lone 2 45 - 5 - ~6622=2 HG LEU 51 - HA3 GLY 88 lone 2 56 - 4 - HG2 PRO 30 - HA2 GLY 88 lone 2 46 - 4 - ~430=1 HB3 LEU 126 - HA3 GLY 39 lone 2 65 - 3 - HG2 PRO 30 - HA3 GLY 88 lone 2 45 - 4 - ~430=1 HB2 LEU 126 - HA3 GLY 39 lone 2 63 - 3 - HD3 LYS 31 - HA2 GLY 88 lone 1 55 - 3 - HD2 LYS 31 - HA2 GLY 88 lone 1 55 - 3 - HD2 LYS 31 - HA3 GLY 88 lone 1 53 - 3 - HD3 LYS 31 - HA3 GLY 88 lone 1 53 - 3 - HB3 LEU 126 - HA2 GLY 88 lone 1 32 - 4 - HB3 LEU 126 - HA3 GLY 88 lone 1 30 - 4 - HG LEU 27 - HA2 GLY 88 lone 1 39 - 3 - HB3 LYS 32 - HA2 GLY 88 lone 1 55 - 2 - HB2 LEU 126 - HA2 GLY 88 lone 1 30 - 4 - HB3 LYS 32 - HA3 GLY 88 lone 1 53 - 2 - HG LEU 27 - HA3 GLY 88 lone 1 38 - 3 - HB2 LEU 126 - HA3 GLY 88 lone 1 29 - 4 - HG2 ARG 53 - HA2 GLY 88 lone 1 42 - 2 - HG2 ARG 53 - HA3 GLY 88 lone 1 41 - 2 - HD2 LYS 32 - HA2 GLY 88 lone 1 42 - 2 - HD3 LYS 32 - HA2 GLY 88 lone 1 42 - 2 - HD2 LYS 32 - HA3 GLY 88 lone 1 41 - 2 - HD3 LYS 32 - HA3 GLY 88 lone 1 41 - 2 - Peak 6734 from cnoeabs.peaks (0.96, 3.81, 47.07 ppm; 5.18 A): 0 out of 27 assignments used, low quality = 0.21: QD1 LEU 41 - HA3 GLY 39 OK 21 57 - 36 - 4.3/1584=13, 4.9/1592=11...(9) QD1 ILE 63 - HA3 GLY 39 poor 10 81 - 12 - 7127/2.9=6, 2.1/6733=1, ~155=1 QD1 LEU 101 - HA3 GLY 39 poor 10 73 - 13 - 5836/3.6=3, ~6014=2...(4) QG2 THR 95 - HA2 GLY 88 poor 9 51 - 19 - 7552/3.0=15, 7620/7593=1 QG2 THR 95 - HA3 GLY 88 poor 9 50 - 18 - 7552/3.0=15, 7620/7593=1 QD1 LEU 55 - HA3 GLY 39 poor 8 65 - 12 - ~3254=2, 3247/2.9=2...(5) QD1 ILE 63 - HA2 GLY 88 poor 7 41 - 17 - 7128/3.0=7, ~7554=4...(5) HG3 LYS 65 - HA2 GLY 88 poor 7 44 - 16 - 7552/3.0=5, ~7552=4...(4) HG2 LYS 65 - HA2 GLY 88 poor 7 44 - 16 - 7552/3.0=5, ~7552=4...(4) QD1 ILE 63 - HA3 GLY 88 poor 7 39 - 17 - 7128/3.0=7, ~7554=4, 7558/3.6=1 HG2 LYS 65 - HA3 GLY 88 poor 7 42 - 16 - 7552/3.0=5, ~7552=4...(4) HG3 LYS 65 - HA3 GLY 88 poor 7 42 - 16 - 7552/3.0=5, ~7552=4...(4) QG2 ILE 124 - HA2 GLY 88 lone 5 58 - 8 - 7552/3.0=5 QG2 ILE 124 - HA3 GLY 88 lone 5 56 - 8 - 7552/3.0=5 QD1 LEU 101 - HA2 GLY 88 lone 3 36 - 10 - 7552/3.0=3, ~7550=1 QD1 LEU 101 - HA3 GLY 88 lone 3 35 - 10 - 7552/3.0=3, ~7550=1 QD1 LEU 55 - HA2 GLY 88 poor 3 32 - 10 - ~7553=5, 7534/6166=1 QG1 VAL 18 - HA2 GLY 88 lone 3 38 - 8 - 7552/3.0=4, ~1709=2 QD1 LEU 55 - HA3 GLY 88 poor 3 30 - 10 - ~7553=5 QG1 VAL 18 - HA3 GLY 88 lone 3 36 - 8 - 7552/3.0=4, ~1709=2 QG2 THR 95 - HA3 GLY 39 lone 3 95 - 3 - QG2 ILE 124 - HA3 GLY 39 lone 3 100 - 3 - QD1 LEU 41 - HA2 GLY 88 lone 2 27 - 8 - 4.3/1584=3, 4.9/1592=2 QD1 LEU 41 - HA3 GLY 88 lone 2 26 - 8 - 4.3/1584=3, 4.9/1592=2 QG1 VAL 18 - HA3 GLY 39 lone 2 76 - 2 - HG2 LYS 65 - HA3 GLY 39 lone 1 85 - 2 - HG3 LYS 65 - HA3 GLY 39 lone 1 85 - 2 - Peak 6735 from cnoeabs.peaks (0.49, 4.34, 60.39 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.91: QG2 ILE 34 + HA PHE 40 OK 91 100 - 91 - 6736/3.0=38, 6740/3.0=36...(13) Peak 6740 from cnoeabs.peaks (0.49, 3.35, 39.72 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.91: QG2 ILE 34 + HB3 PHE 40 OK 91 97 - 93 - 6639=31, 4671/2.5=31...(14) Peak 6741 from cnoeabs.peaks (0.18, 3.35, 39.72 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.97: QD1 ILE 34 + HB3 PHE 40 OK 97 100 - 97 - 3.0/6740=41, 6631/2.5=28...(16) QD2 LEU 51 - HB3 PHE 40 OK 24 73 - 32 - 4672/2.5=9, ~6938=8...(7) Peak 6742 from cnoeabs.peaks (0.49, 2.90, 39.72 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.96: QG2 ILE 34 + HB2 PHE 40 OK 94 100 - 94 - 6740/1.8=37, 4671/2.5=31...(16) QG2 ILE 34 + HB2 ASP 100 OK 32 98 - 32 - 6638=9, 6740/2751=4...(9) Peak 6743 from cnoeabs.peaks (0.01, 2.90, 39.72 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.81: QG2 VAL 110 + HB2 ASP 100 OK 67 99 - 68 - 8150/1.8=32, 7698/4.3=31...(8) QG2 VAL 110 + HB2 PHE 40 OK 42 100 - 42 - 7870=12, 7860/2.5=6...(12) Peak 6744 from cnoeabs.peaks (1.21, 7.12, 131.33 ppm; 4.81 A): 3 out of 6 assignments used, quality = 0.93: QG2 VAL 18 + QD PHE 40 OK 85 97 - 87 - 6351=35, 6350/2.2=23...(18) HG2 LYS 32 + QD PHE 40 OK 33 95 - 34 - 3.0/4666=4, ~4831=4...(16) HB2 LEU 77 + QD PHE 40 OK 31 84 - 38 - 1.8/7002=6, 4814/3.8=5...(13) HB3 LEU 111 - QD PHE 40 OK 22 96 - 23 - ~4830=5, 4814/3.8=2...(7) HG LEU 77 - QD PHE 40 OK 17 63 - 26 - ~7337=5, 3.0/7002=5...(8) HB3 LEU 24 - QD PHE 40 OK 15 92 - 16 - 5994/2.5=2, ~6469=2...(5) Peak 6745 from cnoeabs.peaks (0.92, 7.12, 131.33 ppm; 4.90 A): 3 out of 13 assignments used, quality = 0.98: QD2 LEU 27 + QD PHE 40 OK 78 96 - 82 - 6533=27, 6535/3.8=21...(19) QD1 LEU 27 + QD PHE 40 OK 74 93 - 79 - 2.1/6533=23, 8409=16...(20) QD1 LEU 41 + QD PHE 40 OK 60 86 - 71 - 2.1/6769=19, 4.3/167=15...(15) QD2 LEU 41 - QD PHE 40 OK 41 61 - 68 - 4.3/167=15, 2.1/6765=14...(13) QD1 LEU 55 - QD PHE 40 OK 34 80 - 42 - 2.1/7004=12, 3.1/7002=7...(11) QG2 ILE 22 - QD PHE 40 OK 29 95 - 31 - ~4830=8, ~6425=8...(7) HB2 GLN 42 - QD PHE 40 OK 28 98 - 28 - 948/4.5=4, 6774/2.2=3...(11) QG2 VAL 115 - QD PHE 40 OK 19 95 - 20 - 7978/6351=4, 7976/3.7=4...(6) QD1 ILE 63 - QD PHE 40 OK 17 66 - 26 - 7131=6, 7126/4.5=4...(7) QD1 LEU 117 - QD PHE 40 OK 14 96 - 15 - 8411/3.8=2, 2.1/4666=2...(6) QG2 VAL 49 - QD PHE 40 lone 8 97 - 8 - 948/4.5=2 QD1 ILE 124 - QD PHE 40 lone 5 56 - 10 - 947/4.5=2, ~4831=1, 3.2/4670=1 QD1 LEU 126 - QD PHE 40 lone 4 95 - 5 - Peak 6746 from cnoeabs.peaks (1.20, 1.98, 41.64 ppm; 4.42 A): 4 out of 10 assignments used, quality = 0.95: QG2 VAL 18 + HB2 LEU 41 OK 77 98 - 79 - 8391/3.0=22, 8401=15...(17) HB3 LEU 24 + HB2 LEU 41 OK 41 78 - 53 - 8266/3.1=8, 6749/1.8=7...(15) HB2 LEU 77 + HB2 LEU 41 OK 40 99 - 41 - 6749/1.8=7, 6751/3.0=6...(13) HB2 LEU 77 + HB2 LEU 55 OK 40 63 - 64 - 4000/1.8=10, ~4014=6...(24) HB3 LEU 111 - HB2 LEU 41 OK 39 89 - 45 - 6749/1.8=7, 3.0/8418=7...(11) HG2 LYS 32 - HB2 LEU 41 OK 17 85 - 19 - 6749/1.8=3, 6751/3.0=3...(7) HB3 LEU 111 - HB2 LEU 55 poor 8 51 - 16 - 3.0/8418=3, ~7011=2...(6) QG2 VAL 18 - HB2 LEU 55 poor 8 61 - 13 - 8401=1, 4006/1.8=1...(4) HG2 LYS 32 - HB2 LEU 55 lone 3 48 - 5 - ~7010=1 HB3 LEU 24 - HB2 LEU 55 lone 2 43 - 5 - Peak 6747 from cnoeabs.peaks (1.47, 1.98, 41.64 ppm; 4.85 A): 4 out of 34 assignments used, quality = 0.96: HB3 LEU 45 + HB2 LEU 41 OK 66 90 - 73 - 3.1/8261=11, ~6754=9...(23) HD2 LYS 46 + HB2 LEU 41 OK 58 99 - 59 - 2970/3.0=7, 5.2/2785=6...(28) HG LEU 24 + HB2 LEU 41 OK 51 90 - 57 - ~6754=9, 2.1/8261=8...(16) HG3 LYS 31 + HB2 LEU 55 OK 40 64 - 63 - ~2427=7, ~2417=6...(31) QB ALA 14 - HB2 LEU 41 OK 38 100 - 38 - ~6755=11, 6304/3.1=6...(10) HB2 LEU 93 - HB2 LEU 55 OK 21 64 - 33 - 3.0/7598=4, ~7011=4...(12) HB2 LEU 93 - HB2 LEU 41 OK 17 100 - 17 - 4.4/1239=3, 5802/4.1=3...(5) HB3 LEU 58 - HB2 LEU 55 OK 17 45 - 38 - ~8292=6, ~7057=5...(15) HG3 ARG 57 - HB2 LEU 41 OK 17 100 - 17 - 3.0/2788=1, 3326/3.0=1...(4) HD2 LYS 46 - HB2 LEU 55 OK 15 61 - 24 - 8574/3.0=3, 2971=2...(9) HB3 LEU 101 - HB2 LEU 41 OK 14 65 - 22 - 4.0/6760=5, 3.1/7704=4...(8) HB3 GLU 75 - HB2 LEU 41 OK 13 90 - 14 - 3964/3.0=1, 8263/3.1=1 HG2 LYS 119 - HB2 LEU 55 OK 12 63 - 19 - 5220/4.2=2, ~3223=2...(7) HG2 LYS 109 - HB2 LEU 55 OK 11 55 - 19 - 4911/3.0=2, ~4921=2...(6) HG LEU 93 - HB2 LEU 55 poor 10 37 - 27 - 4.3/7598=3, ~7011=3...(14) HG2 LYS 119 - HB2 LEU 41 lone 6 99 - 6 - HG LEU 93 - HB2 LEU 41 lone 6 68 - 9 - 4.3/7598=2, 5804/4.1=2 HG LEU 91 - HB2 LEU 55 poor 6 42 - 15 - ~4402=1, ~3222=1...(6) HD3 LYS 65 - HB2 LEU 41 lone 6 76 - 8 - HD2 LYS 65 - HB2 LEU 41 lone 6 76 - 8 - QB ALA 14 - HB2 LEU 55 lone 5 64 - 8 - HG3 ARG 57 - HB2 LEU 55 lone 5 64 - 8 - 3323/4.2=2, 5.1/5628=1 QB ALA 89 - HB2 LEU 41 lone 5 68 - 7 - ~8412=1 HB3 LEU 45 - HB2 LEU 55 lone 5 53 - 9 - 4.3/973=1 HB3 LEU 58 - HB2 LEU 41 lone 5 81 - 6 - HG3 LYS 31 - HB2 LEU 41 lone 4 100 - 4 - HG2 LYS 109 - HB2 LEU 41 lone 4 93 - 4 - HB3 GLU 75 - HB2 LEU 55 lone 3 53 - 6 - QB ALA 89 - HB2 LEU 55 lone 3 37 - 9 - 7565/3.1=2 HG LEU 91 - HB2 LEU 41 lone 3 76 - 4 - HG LEU 24 - HB2 LEU 55 lone 3 53 - 6 - HB3 LEU 101 - HB2 LEU 55 lone 3 35 - 8 - ~8292=1, ~7713=1, 3.1/7704=1 HD3 LYS 65 - HB2 LEU 55 lone 1 42 - 3 - HD2 LYS 65 - HB2 LEU 55 lone 1 42 - 3 - Peak 6748 from cnoeabs.peaks (1.21, 3.64, 57.53 ppm; 3.92 A): 5 out of 6 assignments used, quality = 0.87: QG2 VAL 18 + HA LEU 41 OK 62 100 - 62 - 8391=25, 8266/4.1=11...(9) HB3 LEU 111 + HA LEU 41 OK 31 100 - 31 - 8266/4.1=4, 6749/3.0=4...(10) HB3 LEU 24 + HA LEU 41 OK 29 97 - 30 - 8266/4.1=6, 3.1/8260=6...(9) HB2 LEU 77 + HA LEU 41 OK 22 87 - 25 - 6749/3.0=4, 6751/4.3=3...(7) HG2 LYS 32 + HA LEU 41 OK 13 99 - 13 - 6749/3.0=2, 8266/4.1=2...(5) HG LEU 77 - HA LEU 41 poor 9 71 - 13 - ~6749=2, 7344/4.3=2...(5) Peak 6749 from cnoeabs.peaks (1.20, 1.66, 41.64 ppm; 4.55 A): 4 out of 5 assignments used, quality = 0.97: QG2 VAL 18 + HB3 LEU 41 OK 80 100 - 81 - 8391/3.0=24, 8266/3.1=16...(18) HB3 LEU 24 + HB3 LEU 41 OK 48 89 - 54 - 8266/3.1=9, 6751/3.0=7...(15) HB3 LEU 111 + HB3 LEU 41 OK 43 96 - 46 - 6748/3.0=7, 8266/3.1=7...(13) HB2 LEU 77 + HB3 LEU 41 OK 42 97 - 44 - 6751/3.0=7, 6746/1.8=6...(16) HG2 LYS 32 - HB3 LEU 41 OK 21 93 - 22 - 6748/3.0=3, 8266/3.1=3...(7) Peak 6750 from cnoeabs.peaks (0.64, 1.66, 41.64 ppm; 4.76 A): 5 out of 6 assignments used, quality = 0.94: QD1 LEU 45 + HB3 LEU 41 OK 73 97 - 75 - 6752/3.0=13, 8261/1.8=12...(24) QD2 LEU 24 + HB3 LEU 41 OK 34 63 - 54 - 6754/3.1=8, 8261/1.8=8...(15) QD1 LEU 21 + HB3 LEU 41 OK 33 85 - 38 - 6754/3.1=7, 6752/3.0=7...(12) QG2 VAL 26 + HB3 LEU 41 OK 32 97 - 33 - 4.1/6763=8, 6752/3.0=5...(9) QD1 LEU 51 + HB3 LEU 41 OK 28 95 - 30 - 6752/3.0=4, 8261/1.8=3...(14) QG1 VAL 26 - HB3 LEU 41 OK 23 76 - 30 - 4.1/6763=8, 8235/4.1=3...(7) Peak 6751 from cnoeabs.peaks (1.20, 1.83, 26.60 ppm; 4.22 A): 5 out of 5 assignments used, quality = 0.94: QG2 VAL 18 + HG LEU 41 OK 74 98 - 76 - 8266/2.1=16, 8391/4.3=15...(16) HB3 LEU 24 + HG LEU 41 OK 39 78 - 49 - 8266/2.1=9, 1.8/8479=7...(13) HB2 LEU 77 + HG LEU 41 OK 38 99 - 38 - 8267/2.1=6, 8266/2.1=5...(13) HB3 LEU 111 + HG LEU 41 OK 32 89 - 36 - 8266/2.1=7, 8267/2.1=5...(10) HG2 LYS 32 + HG LEU 41 OK 15 85 - 17 - 8266/2.1=3, 6749/3.0=3...(6) Peak 6752 from cnoeabs.peaks (0.64, 1.83, 26.60 ppm; 4.10 A): 6 out of 6 assignments used, quality = 0.93: QD1 LEU 45 + HG LEU 41 OK 66 100 - 67 - 6754/2.1=15, ~8269=8...(21) QD2 LEU 24 + HG LEU 41 OK 37 76 - 49 - 6754/2.1=11, 3.1/6751=6...(15) QD1 LEU 21 + HG LEU 41 OK 34 93 - 36 - 6754/2.1=9, 8261/3.0=4...(13) QG2 VAL 26 + HG LEU 41 OK 25 92 - 27 - 4.1/6764=6, 6750/3.0=4...(9) QD1 LEU 51 + HG LEU 41 OK 18 87 - 21 - 6750/3.0=3, 8261/3.0=2...(8) QG1 VAL 26 + HG LEU 41 OK 15 63 - 23 - 4.1/6764=6, 6750/3.0=3...(7) Peak 6753 from cnoeabs.peaks (3.49, 0.89, 24.43 ppm; 3.67 A): 5 out of 6 assignments used, quality = 0.83: HA VAL 18 + QD2 LEU 41 OK 66 97 - 69 - 3.0/8728=16, 3.2/8266=12...(23) HB3 SER 44 + QD2 LEU 41 OK 25 99 - 26 - 6027/4.1=8, 6831/2.1=4...(7) HD3 PRO 70 + QD2 LEU 41 OK 14 57 - 24 - 2.3/7264=6, 3.0/7254=3...(10) HB2 PHE 83 + QD2 LEU 41 OK 13 68 - 19 - 2.5/6769=5, 6026/4.1=4...(7) HA LEU 84 + QD2 LEU 41 OK 10 97 - 11 - 6026/4.1=3, 6149/4.3=2 HB2 PHE 96 - QD2 LEU 41 lone 1 71 - 1 - Peak 6754 from cnoeabs.peaks (0.66, 0.89, 24.43 ppm; 3.04 A): 3 out of 3 assignments used, quality = 0.68: QD1 LEU 45 + QD2 LEU 41 OK 40 96 - 42 - 2.1/8269=7, 6752/2.1=5...(16) QD2 LEU 24 + QD2 LEU 41 OK 29 99 - 29 - 2.1/8263=5, 3.1/8266=5...(12) QD1 LEU 21 + QD2 LEU 41 OK 25 100 - 25 - 6414/2.1=3, 6414=3...(10) Peak 6755 from cnoeabs.peaks (4.02, 0.89, 24.43 ppm; 4.01 A): 2 out of 7 assignments used, quality = 0.46: HA ALA 14 + QD2 LEU 41 OK 33 100 - 33 - 6297/2.1=8, 2.1/8263=5...(10) HA PHE 107 + QD2 LEU 41 OK 19 97 - 19 - 5.6/6767=10, 7.2/6768=4 HA GLN 16 - QD2 LEU 41 lone 8 92 - 9 - 5960/8728=4, 5953/6756=2 HA THR 62 - QD2 LEU 41 lone 4 76 - 6 - HD3 PRO 37 - QD2 LEU 41 lone 4 68 - 6 - HA TYR 102 - QD2 LEU 41 lone 4 60 - 6 - 7746/4.1=1 HA ARG 81 - QD2 LEU 41 lone 3 71 - 5 - 4771/6767=1 Peak 6756 from cnoeabs.peaks (4.33, 0.89, 24.43 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.79: HB THR 17 + QD2 LEU 41 OK 54 100 - 54 - 4.6/8728=14, 6757/2.1=11...(14) HA PHE 40 + QD2 LEU 41 OK 45 99 - 46 - 3.6/2805=13, 3.7/6769=11...(9) HA ASP 100 + QD2 LEU 41 OK 18 85 - 21 - 3.6/6767=5, 162/4.3=4...(6) HA CYS 76 - QD2 LEU 41 lone 6 71 - 9 - 1589/4.9=1, 162/4.3=1 Peak 6757 from cnoeabs.peaks (4.33, 0.93, 24.55 ppm; 4.32 A): 5 out of 8 assignments used, quality = 0.88: HB THR 17 + QD1 LEU 41 OK 57 100 - 57 - 6756/2.1=17, 2.1/8265=9...(13) HA PHE 40 + QD1 LEU 41 OK 47 99 - 48 - 6756/2.1=14, 3.6/2812=12...(13) HA PHE 40 + QD1 LEU 27 OK 22 68 - 32 - 3.7/4669=5, 3.6/2812=4...(11) HB THR 17 + QD1 LEU 27 OK 20 69 - 28 - 4.6/8729=4, 6333=4...(11) HA ASP 100 + QD1 LEU 41 OK 19 85 - 23 - 6756/2.1=6, 162/4.3=5...(5) HA CYS 76 - QD1 LEU 41 poor 7 71 - 10 - 6756/2.1=2, 1589/4.9=2 HA ASP 100 - QD1 LEU 27 lone 3 53 - 6 - 3.6/8413=1 HA CYS 76 - QD1 LEU 27 lone 2 42 - 5 - Peak 6759 from cnoeabs.peaks (6.74, 1.98, 41.64 ppm; 4.70 A): 3 out of 10 assignments used, quality = 0.96: HZ PHE 107 + HB2 LEU 41 OK 87 96 - 91 - 4774/3.0=21, 2.2/6760=21...(23) H LEU 27 + HB2 LEU 41 OK 48 92 - 52 - 878/1.8=9, 6768/3.1=9...(16) HE21 GLN 42 + HB2 LEU 41 OK 43 78 - 55 - 6768/3.1=9, 740/1.8=8...(15) HD22 ASN 99 - HB2 LEU 41 OK 14 83 - 17 - 3.5/7678=3, 6763/1.8=3...(6) H LEU 27 - HB2 LEU 55 poor 7 54 - 13 - 6514/3.0=2, 879/3.1=1 HZ PHE 107 - HB2 LEU 55 poor 6 58 - 10 - 2.2/6760=2, 3.8/8294=1 HE21 GLN 42 - HB2 LEU 55 lone 3 43 - 6 - HE22 GLN 16 - HB2 LEU 55 lone 1 35 - 3 - 6326/3.1=1 HD22 ASN 99 - HB2 LEU 55 lone 1 47 - 2 - HE22 GLN 16 - HB2 LEU 41 lone 1 65 - 1 - Peak 6760 from cnoeabs.peaks (6.99, 1.98, 41.64 ppm; 4.91 A): 1 out of 6 assignments used, quality = 0.95: QE PHE 107 + HB2 LEU 41 OK 95 99 - 96 - 6767/3.1=27, 6762/1.8=23...(29) H LEU 101 - HB2 LEU 41 OK 27 71 - 38 - 6762/1.8=8, 6767/3.1=7...(8) HD22 ASN 108 - HB2 LEU 41 OK 21 78 - 27 - 6762/1.8=6, 6767/3.1=5...(5) QE PHE 107 - HB2 LEU 55 OK 11 61 - 18 - ~8295=4, 2.2/8294=2...(5) H LEU 101 - HB2 LEU 55 lone 2 38 - 4 - HD22 ASN 108 - HB2 LEU 55 lone 1 43 - 2 - Peak 6761 from cnoeabs.peaks (6.77, 3.64, 57.53 ppm; 5.22 A): 3 out of 7 assignments used, quality = 0.96: HZ PHE 107 + HA LEU 41 OK 79 90 - 87 - 4769/3.6=21, 4774/4.3=18...(19) HE21 GLN 42 + HA LEU 41 OK 63 99 - 64 - 955/3.6=11, 740/3.0=10...(16) H LEU 27 + HA LEU 41 OK 53 95 - 56 - 6763/3.0=10, 6758/3.0=9...(14) QE TYR 67 - HA LEU 41 OK 20 87 - 23 - 2.2/8259=5, 4817/3.6=3...(8) HD22 ASN 99 - HA LEU 41 OK 19 99 - 19 - 6763/3.0=3, 6758/3.0=3...(7) H VAL 110 - HA LEU 41 OK 16 85 - 19 - 1747/3.6=6, 6758/3.0=2...(7) HH2 TRP 20 - HA LEU 41 lone 6 76 - 7 - 8394/8391=1 Peak 6762 from cnoeabs.peaks (6.98, 1.66, 41.64 ppm; 4.89 A): 1 out of 4 assignments used, quality = 0.97: QE PHE 107 + HB3 LEU 41 OK 97 100 - 97 - 6767/3.1=27, 6760/1.8=22...(31) H LEU 101 - HB3 LEU 41 OK 32 93 - 35 - 6770/4.2=7, 6767/3.1=7...(7) HD22 ASN 108 - HB3 LEU 41 OK 26 97 - 27 - 6770/4.2=5, 6767/3.1=5...(5) HD22 ASN 12 - HB3 LEU 41 lone 2 65 - 3 - Peak 6763 from cnoeabs.peaks (6.76, 1.66, 41.64 ppm; 4.53 A): 3 out of 5 assignments used, quality = 0.99: HZ PHE 107 + HB3 LEU 41 OK 91 100 - 91 - 4774/3.0=21, 2.2/6762=20...(24) H LEU 27 + HB3 LEU 41 OK 67 100 - 67 - 878=12, 6764/3.0=9...(20) HE21 GLN 42 + HB3 LEU 41 OK 60 100 - 61 - 955/4.2=8, 6768/3.1=8...(17) HD22 ASN 99 - HB3 LEU 41 OK 20 100 - 19 - 6764/3.0=3, ~7678=2...(8) QE TYR 67 - HB3 LEU 41 poor 10 60 - 17 - ~8294=3, ~8259=2...(7) Peak 6764 from cnoeabs.peaks (6.76, 1.83, 26.60 ppm; 4.43 A): 3 out of 5 assignments used, quality = 0.98: HZ PHE 107 + HG LEU 41 OK 89 100 - 89 - 4774=25, 2.2/6766=20...(21) H LEU 27 + HG LEU 41 OK 61 100 - 61 - 6768/2.1=9, 6763/3.0=8...(18) HE21 GLN 42 + HG LEU 41 OK 50 100 - 50 - 6768/2.1=9, 740/3.0=8...(13) HD22 ASN 99 - HG LEU 41 OK 17 100 - 17 - 6763/3.0=2, 6768/2.1=2...(7) QE TYR 67 - HG LEU 41 poor 7 60 - 12 - ~8294=2, 6761/4.3=1...(7) Peak 6765 from cnoeabs.peaks (7.12, 1.83, 26.60 ppm; 5.05 A): 4 out of 4 assignments used, quality = 0.90: QD PHE 40 + HG LEU 41 OK 63 100 - 63 - 6769/2.1=20, 4.5/2798=13...(13) HE ARG 53 + HG LEU 41 OK 53 93 - 57 - 6769/2.1=15, 8541=7...(14) QD PHE 83 + HG LEU 41 OK 33 98 - 34 - 6769/2.1=8, 8258/4.3=7...(7) HE ARG 92 + HG LEU 41 OK 10 90 - 11 - 6769/2.1=2, 167/5.2=2...(4) Peak 6766 from cnoeabs.peaks (6.99, 1.83, 26.60 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.94: QE PHE 107 + HG LEU 41 OK 94 99 - 95 - 6767/2.1=32, 2.2/4774=24...(25) H LEU 101 - HG LEU 41 OK 24 71 - 33 - 6767/2.1=9, 6762/3.0=7...(8) HD22 ASN 108 - HG LEU 41 OK 20 78 - 25 - 6767/2.1=6, 6762/3.0=6...(6) Peak 6767 from cnoeabs.peaks (6.99, 0.89, 24.43 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.94: QE PHE 107 + QD2 LEU 41 OK 90 100 - 90 - 4795=24, 2.2/6768=16...(27) H LEU 101 + QD2 LEU 41 OK 25 85 - 29 - 8413/2.1=5, 6762/3.1=4...(9) HD22 ASN 108 + QD2 LEU 41 OK 17 90 - 19 - 6762/3.1=4, 8413/2.1=3...(5) Peak 6768 from cnoeabs.peaks (6.75, 0.89, 24.43 ppm; 3.95 A): 4 out of 4 assignments used, quality = 0.95: HZ PHE 107 + QD2 LEU 41 OK 82 99 - 83 - 2.2/6767=23, 4774/2.1=20...(21) H LEU 27 + QD2 LEU 41 OK 43 98 - 44 - 6764/2.1=7, 6763/3.1=6...(15) HE21 GLN 42 + QD2 LEU 41 OK 41 90 - 45 - 6.5/5565=6, 6764/2.1=6...(16) HD22 ASN 99 + QD2 LEU 41 OK 11 93 - 12 - 6764/2.1=2, 6763/3.1=2...(5) Peak 6769 from cnoeabs.peaks (7.13, 0.89, 24.43 ppm; 4.18 A): 3 out of 4 assignments used, quality = 0.80: QD PHE 40 + QD2 LEU 41 OK 55 98 - 56 - 167/4.3=11, 6765/2.1=10...(14) HE ARG 53 + QD2 LEU 41 OK 42 99 - 43 - 8543=10, 6765/2.1=8...(10) QD PHE 83 + QD2 LEU 41 OK 22 92 - 24 - 167/4.3=5, 6765/2.1=5...(6) HE ARG 92 - QD2 LEU 41 lone 6 78 - 7 - 6765/2.1=2, 167/4.3=1 Peak 6771 from cnoeabs.peaks (6.99, 3.21, 60.03 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.93: QE PHE 107 + HA GLN 42 OK 88 100 - 88 - 4784=25, 2.2/4770=16...(27) H LEU 101 + HA GLN 42 OK 31 85 - 37 - 4.7/6787=7, 6770/3.0=7...(10) HD22 ASN 108 + HA GLN 42 OK 16 90 - 18 - 6770/3.0=5, 6773/3.0=3...(5) Peak 6772 from cnoeabs.peaks (7.21, 3.21, 60.03 ppm; 4.73 A): 6 out of 6 assignments used, quality = 0.95: QD PHE 107 + HA GLN 42 OK 76 87 - 88 - 2.2/6771=29, 3.8/4770=16...(19) QD TYR 67 + HA GLN 42 OK 40 99 - 40 - 6774/3.0=6, 6780/3.9=6...(14) HE ARG 81 + HA GLN 42 OK 30 73 - 41 - 8565=6, 6774/3.0=5...(18) QE PHE 40 + HA GLN 42 OK 23 93 - 24 - 6774/3.0=3, 6781/5.5=3...(11) H LYS 65 + HA GLN 42 OK 22 99 - 23 - 6781/5.5=3, 6774/3.0=2...(10) QD TYR 102 + HA GLN 42 OK 13 89 - 15 - 6781/5.5=3, 6774/3.0=1...(4) Peak 6773 from cnoeabs.peaks (6.98, 0.92, 27.10 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.96: QE PHE 107 + HB2 GLN 42 OK 92 98 - 94 - 6771/3.0=24, 6779/3.0=19...(28) H LEU 101 + HB2 GLN 42 OK 43 99 - 43 - 6779/3.0=9, 6771/3.0=9...(9) HD22 ASN 108 - HB2 GLN 42 OK 26 100 - 25 - 6770/4.0=5, 6779/3.0=5...(5) HD22 ASN 12 - HB2 GLN 42 lone 3 81 - 4 - Peak 6774 from cnoeabs.peaks (7.20, 0.92, 27.10 ppm; 4.80 A): 3 out of 6 assignments used, quality = 0.97: QD PHE 107 + HB2 GLN 42 OK 89 99 - 90 - 2.2/6773=21, ~6771=16...(20) QD TYR 67 + HB2 GLN 42 OK 48 100 - 48 - 6780/3.0=7, 6772/3.0=6...(17) HE ARG 81 + HB2 GLN 42 OK 41 95 - 44 - 6780/3.0=7, 2.9/2828=6...(12) QE PHE 40 - HB2 GLN 42 OK 20 71 - 28 - 6772/3.0=3, 6780/3.0=3...(12) H LYS 65 - HB2 GLN 42 OK 17 85 - 20 - 6781/4.4=4, 6772/3.0=3...(6) QD TYR 102 - HB2 GLN 42 poor 9 63 - 14 - 6781/4.4=3, 6772/3.0=2...(5) Peak 6775 from cnoeabs.peaks (6.98, 1.64, 27.10 ppm; 4.92 A): 2 out of 12 assignments used, quality = 0.98: QE PHE 107 + HB3 GLN 42 OK 95 100 - 95 - 6771/3.0=26, 6773/1.8=22...(31) H LEU 101 + HB3 GLN 42 OK 48 93 - 52 - 6773/1.8=10, 6779/3.0=9...(13) H LEU 101 - HG LEU 101 OK 38 38 - 100 - 4.9=100 QE PHE 107 - HG LEU 101 OK 35 45 - 79 - ~8152=21, 4794/2.1=18...(17) HD22 ASN 108 - HB3 GLN 42 OK 28 97 - 28 - 6773/1.8=6, 6770/4.0=6...(5) QE PHE 107 - HG2 PRO 30 OK 14 45 - 30 - 7826/2.3=6, 4789/1.8=4...(11) H LEU 101 - HG2 PRO 30 OK 12 38 - 32 - 1272/3.8=4, 1275=4...(12) HD22 ASN 108 - HG LEU 101 poor 8 41 - 18 - 4672/2.1=4, 4679/2.1=4...(5) HD22 ASN 12 - HG LEU 101 poor 7 24 - 30 - 4651/3.0=5, 4679/2.1=5...(7) HD22 ASN 12 - HB3 GLN 42 lone 3 65 - 5 - HD22 ASN 108 - HG2 PRO 30 lone 1 41 - 3 - HD22 ASN 12 - HG2 PRO 30 lone 1 24 - 3 - Peak 6776 from cnoeabs.peaks (7.20, 1.64, 27.10 ppm; 4.70 A): 3 out of 18 assignments used, quality = 0.96: QD PHE 107 + HB3 GLN 42 OK 88 99 - 89 - ~6771=16, 6774/1.8=15...(20) QD TYR 67 + HB3 GLN 42 OK 45 100 - 45 - 6774/1.8=8, 6780/3.0=7...(14) HE ARG 81 + HB3 GLN 42 OK 40 95 - 42 - 6774/1.8=7, 6780/3.0=6...(11) QD PHE 107 - HG LEU 101 OK 33 44 - 75 - 8152/2.1=29, 4772/4.3=13...(14) QE PHE 40 - HB3 GLN 42 OK 21 71 - 29 - 6774/1.8=3, 6772/3.0=3...(12) QE PHE 40 - HG2 PRO 30 OK 19 26 - 73 - ~4676=17, ~6583=16...(11) H LYS 65 - HB3 GLN 42 OK 16 85 - 19 - 6781/4.4=4, 6772/3.0=3...(6) QD TYR 67 - HG LEU 101 OK 12 45 - 28 - 8152/2.1=8, 4689/3.0=3...(9) QD PHE 107 - HG2 PRO 30 OK 12 43 - 28 - ~7826=4, ~4782=4...(9) QD TYR 102 - HB3 GLN 42 poor 9 63 - 15 - 6781/4.4=3, 6772/3.0=2...(6) H LYS 65 - HG LEU 101 poor 8 33 - 25 - 8152/2.1=6, 7719/4.3=3...(8) QD TYR 67 - HG2 PRO 30 poor 7 44 - 15 - 6585/2.3=2, 4687/1.8=2...(7) QD TYR 102 - HG LEU 101 poor 6 23 - 28 - ~7721=7, 4746/2.1=5...(7) QE PHE 40 - HG LEU 101 poor 5 26 - 21 - ~4670=4, ~8743=4...(6) QD TYR 102 - HG2 PRO 30 poor 5 22 - 23 - 6585/2.3=4, ~4749=3...(8) HE ARG 81 - HG LEU 101 lone 3 39 - 8 - 8152/2.1=3, ~7703=2 H LYS 65 - HG2 PRO 30 lone 3 33 - 8 - 6585/2.3=2, 6594/1.8=1 HE ARG 81 - HG2 PRO 30 lone 2 39 - 4 - Peak 6777 from cnoeabs.peaks (6.98, 1.76, 33.51 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.95: QE PHE 107 + HG2 GLN 42 OK 91 100 - 91 - 6779/1.8=22, 6771/3.9=21...(24) H LEU 101 + HG2 GLN 42 OK 42 93 - 45 - 6779/1.8=11, 6773/3.0=8...(11) HD22 ASN 108 - HG2 GLN 42 OK 24 97 - 25 - 6779/1.8=6, 6773/3.0=5...(6) QE PHE 107 - HB3 LYS 46 OK 17 71 - 24 - 4783/3.0=3, 2.2/4803=2...(9) H LEU 101 - HB3 LYS 46 poor 9 62 - 15 - 4.7/7705=3, 4.7/8742=3 HD22 ASN 108 - HB3 LYS 46 lone 4 65 - 7 - HD22 ASN 12 - HG2 GLN 42 lone 3 65 - 4 - HD22 ASN 12 - HB3 LYS 46 lone 1 40 - 2 - Peak 6778 from cnoeabs.peaks (7.20, 1.76, 33.51 ppm; 4.48 A): 4 out of 12 assignments used, quality = 0.95: QD PHE 107 + HG2 GLN 42 OK 80 99 - 81 - 6780/1.8=16, 2.2/6777=16...(18) QD TYR 67 + HG2 GLN 42 OK 43 100 - 43 - 6780/1.8=8, 6774/3.0=6...(14) HE ARG 81 + HG2 GLN 42 OK 36 95 - 38 - 6780/1.8=7, 2.9/8268=6...(11) QD TYR 102 + HB3 LYS 46 OK 28 38 - 75 - ~8577=11, 4820/2.9=10...(23) H LYS 65 - HB3 LYS 46 OK 21 54 - 38 - 1082/3.5=5, 7163/4.7=4...(17) QE PHE 40 - HG2 GLN 42 OK 17 71 - 24 - 6780/1.8=3, 6781/3.5=3...(12) H LYS 65 - HG2 GLN 42 OK 17 85 - 20 - 6781/3.5=4, 6780/1.8=3...(6) QD TYR 67 - HB3 LYS 46 OK 15 70 - 22 - 4687=3, 2.2/4698=2...(10) QD PHE 107 - HB3 LYS 46 OK 14 69 - 20 - 2.2/6777=3, 4803=2...(5) QD TYR 102 - HG2 GLN 42 poor 9 63 - 15 - 6781/3.5=3, 6780/1.8=2...(6) QE PHE 40 - HB3 LYS 46 lone 3 43 - 8 - 6853/3.0=1 HE ARG 81 - HB3 LYS 46 lone 3 63 - 5 - Peak 6779 from cnoeabs.peaks (6.98, 1.69, 33.51 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.95: QE PHE 107 + HG3 GLN 42 OK 88 98 - 90 - 6771/3.9=19, 6777/1.8=18...(27) H LEU 101 + HG3 GLN 42 OK 43 99 - 44 - 6777/1.8=8, 6773/3.0=8...(10) HD22 ASN 108 + HG3 GLN 42 OK 23 100 - 23 - 6773/3.0=5, 6777/1.8=5...(5) HD22 ASN 12 - HG3 GLN 42 lone 3 81 - 4 - Peak 6780 from cnoeabs.peaks (7.20, 1.69, 33.51 ppm; 4.45 A): 5 out of 6 assignments used, quality = 0.94: QD PHE 107 + HG3 GLN 42 OK 79 99 - 80 - 2.2/6779=19, ~6777=12...(19) QD TYR 67 + HG3 GLN 42 OK 39 100 - 39 - 6774/3.0=6, 6778/1.8=6...(14) HE ARG 81 + HG3 GLN 42 OK 35 95 - 37 - 2.9/2852=5, 6774/3.0=5...(11) QE PHE 40 + HG3 GLN 42 OK 16 71 - 23 - 6781/3.5=3, 6774/3.0=3...(12) H LYS 65 + HG3 GLN 42 OK 15 85 - 17 - 6781/3.5=4, 6772/3.9=3...(6) QD TYR 102 - HG3 GLN 42 poor 8 63 - 12 - 6781/3.5=3, 6772/3.9=1...(4) Peak 6785 from cnoeabs.peaks (1.33, 3.21, 60.03 ppm; 5.01 A): 4 out of 9 assignments used, quality = 0.99: QB ALA 43 + HA GLN 42 OK 88 100 - 88 - 2862/3.6=39, 6817/3.0=26...(14) HG2 LYS 46 + HA GLN 42 OK 53 100 - 53 - 959/3.6=9, 6784/3.0=7...(17) HG3 LYS 46 + HA GLN 42 OK 53 100 - 53 - 959/3.6=9, 6784/3.0=7...(17) QG2 THR 17 + HA GLN 42 OK 47 100 - 47 - 8462=12, 3.2/5969=8...(15) HB3 LEU 59 - HA GLN 42 OK 10 89 - 11 - 6784/3.0=2, 1.8/2822=1 QG2 THR 23 - HA GLN 42 lone 9 96 - 10 - 6449/2051=1 HG3 LYS 119 - HA GLN 42 lone 8 98 - 8 - 1.8/6033=1 HB3 LEU 84 - HA GLN 42 lone 6 85 - 7 - 4.0/407=3 HG CYS 87 - HA GLN 42 lone 3 90 - 3 - Peak 6786 from cnoeabs.peaks (0.64, 3.21, 60.03 ppm; 4.70 A): 5 out of 5 assignments used, quality = 0.84: QD1 LEU 45 + HA GLN 42 OK 64 100 - 64 - 3.1/6032=15, 4.7/6030=14...(18) QD1 LEU 51 + HA GLN 42 OK 24 83 - 30 - 3.1/6936=6, 3.1/6937=5...(12) QD1 LEU 21 + HA GLN 42 OK 23 96 - 24 - 4.7/58=4, 8194/8462=2...(8) QG2 VAL 26 + HA GLN 42 OK 16 89 - 18 - 4.1/2825=5, 4797/6771=2...(5) QD2 LEU 24 + HA GLN 42 OK 12 81 - 15 - 2.1/6033=1, 6477/5.5=1...(5) Peak 6787 from cnoeabs.peaks (0.98, 3.21, 60.03 ppm; 3.93 A): 6 out of 9 assignments used, quality = 0.85: QD1 LEU 101 + HA GLN 42 OK 59 100 - 59 - 7723/5.5=14, 7703=10...(21) HB3 LEU 27 + HA GLN 42 OK 36 73 - 49 - 3.1/2821=4, 3.1/2821=4...(27) QG1 VAL 18 + HA GLN 42 OK 15 100 - 15 - 6789/5.5=1, 6366/3.0=1...(9) HG3 LYS 65 + HA GLN 42 OK 12 100 - 12 - 4.9/6772=2, 6789/5.5=1...(5) HG2 LYS 65 + HA GLN 42 OK 12 100 - 12 - 4.9/6772=2, 6789/5.5=1...(5) QD2 LEU 58 + HA GLN 42 OK 11 97 - 11 - 6789/5.5=1, 6792/5.5=1...(5) QD1 LEU 58 - HA GLN 42 lone 8 85 - 9 - 7061/3.9=1, 6789/5.5=1 QG2 ILE 124 - HA GLN 42 poor 8 71 - 11 - 4.0/6030=3, 6837/6030=1...(5) QG2 THR 95 - HA GLN 42 lone 3 99 - 3 - Peak 6788 from cnoeabs.peaks (1.97, 3.21, 60.03 ppm; 5.22 A): 3 out of 17 assignments used, quality = 0.97: HB2 LEU 41 + HA GLN 42 OK 84 92 - 92 - ~5565=14, 1.8/2824=13...(42) HG LEU 45 + HA GLN 42 OK 67 100 - 67 - 2.1/6786=20, 3.0/6032=17...(16) HB2 ARG 71 + HA GLN 42 OK 50 99 - 50 - 1.8/3860=8, 3852=8...(15) HB3 PRO 30 - HA GLN 42 OK 38 83 - 46 - ~1593=5, 2.3/2823=4...(24) HB2 GLU 38 - HA GLN 42 OK 22 68 - 33 - ~6009=14, ~1593=9...(7) HB ILE 124 - HA GLN 42 OK 22 92 - 24 - 4.0/6030=6, 170/3.0=3...(5) HB3 GLN 103 - HA GLN 42 OK 18 92 - 19 - 4.4/5567=7, 5845/3.6=3...(4) HB2 ARG 85 - HA GLN 42 OK 10 83 - 12 - 3.0/2822=1, 6725/6771=1...(5) HB3 ARG 85 - HA GLN 42 OK 10 83 - 12 - 3.0/2822=1, 6725/6771=1...(5) HB3 PRO 68 - HA GLN 42 lone 8 92 - 9 - 170/3.0=1, 7228/3.0=1 HG2 PRO 68 - HA GLN 42 lone 7 96 - 8 - 170/3.0=1 HG LEU 114 - HA GLN 42 lone 7 96 - 7 - 170/3.0=1 HB3 LYS 119 - HA GLN 42 lone 5 73 - 7 - 2.9/6785=1 HG2 PRO 60 - HA GLN 42 lone 4 71 - 6 - 170/3.0=1 HB2 MET 11 - HA GLN 42 lone 4 87 - 5 - HB3 GLU 94 - HA GLN 42 lone 4 93 - 4 - HB3 GLU 69 - HA GLN 42 lone 3 73 - 5 - ~172=1 Peak 6799 from cnoeabs.peaks (3.88, 1.69, 33.51 ppm; 5.18 A): 4 out of 13 assignments used, quality = 0.68: HA3 GLY 104 + HG3 GLN 42 OK 35 68 - 51 - 6798/3.5=12, 6796/3.5=12...(9) HB3 SER 112 + HG3 GLN 42 OK 23 98 - 23 - 3.9/2851=8, ~7919=3...(7) HB2 SER 112 + HG3 GLN 42 OK 22 97 - 23 - 3.9/2851=8, ~7919=3...(7) HA ARG 53 + HG3 GLN 42 OK 18 99 - 18 - 6796/3.5=3, 6798/3.5=2...(6) HA THR 33 - HG3 GLN 42 poor 9 81 - 11 - 6798/3.5=2, 6796/3.5=2 HA ILE 34 - HG3 GLN 42 poor 8 78 - 10 - 3.0/2854=2, 2589/3.0=1...(4) HB2 SER 13 - HG3 GLN 42 lone 8 97 - 8 - 6798/3.5=2, 6796/3.5=1...(4) HB THR 33 - HG3 GLN 42 lone 7 83 - 8 - 6798/3.5=1, 6796/3.5=1 HB3 ASN 79 - HG3 GLN 42 lone 6 100 - 6 - HB THR 95 - HG3 GLN 42 lone 5 99 - 5 - 6796/3.5=2 HB2 SER 35 - HG3 GLN 42 lone 3 71 - 4 - HA2 GLY 2 - HG3 GLN 42 lone 2 78 - 2 - HA3 GLY 2 - HG3 GLN 42 lone 2 78 - 2 - Peak 6800 from cnoeabs.peaks (0.99, 1.76, 33.51 ppm; 4.18 A): 5 out of 16 assignments used, quality = 0.96: QD1 LEU 101 + HG2 GLN 42 OK 66 100 - 66 - 7723/3.5=25, 6787/3.9=9...(20) HB3 LEU 27 + HG2 GLN 42 OK 47 87 - 55 - 6801/1.8=9, 6787/3.9=6...(24) QD1 LEU 101 + HB3 LYS 46 OK 40 71 - 56 - 7721/4.0=13, 6859/3.0=11...(15) HG2 LYS 65 + HB3 LYS 46 OK 39 68 - 57 - 6859/3.0=8, ~6859=5...(32) HG3 LYS 65 + HB3 LYS 46 OK 39 68 - 57 - 6859/3.0=8, ~6859=5...(32) QG1 VAL 18 - HG2 GLN 42 OK 19 100 - 19 - 6787/3.9=2, 6789/3.5=2...(9) QD2 LEU 58 - HG2 GLN 42 OK 18 100 - 18 - 6789/3.5=2, 2.1/7061=2...(8) QD1 LEU 58 - HG2 GLN 42 OK 16 95 - 17 - 7061=3, 6789/3.5=2...(6) HG2 LYS 65 - HG2 GLN 42 OK 14 99 - 14 - 6789/3.5=2, 6792/3.5=2...(6) HG3 LYS 65 - HG2 GLN 42 OK 14 99 - 14 - 6789/3.5=2, 6792/3.5=2...(6) QD2 LEU 58 - HB3 LYS 46 OK 13 70 - 18 - 6859/3.0=3, 2.1/7061=2...(6) QG1 VAL 18 - HB3 LYS 46 OK 13 71 - 18 - ~8391=4, 6859/3.0=3...(6) QD1 LEU 58 - HB3 LYS 46 OK 12 63 - 19 - 7061=3, 6859/3.0=2...(6) HB3 LEU 27 - HB3 LYS 46 poor 7 56 - 12 - 6858/4.0=2, 6859/3.0=1 QG2 THR 95 - HG2 GLN 42 lone 4 93 - 5 - QG2 THR 95 - HB3 LYS 46 lone 2 62 - 3 - Peak 6801 from cnoeabs.peaks (1.01, 1.69, 33.51 ppm; 4.17 A): 6 out of 9 assignments used, quality = 0.88: HB3 LEU 27 + HG3 GLN 42 OK 54 100 - 54 - 2276/3.5=6, 3.1/2853=5...(24) QD1 LEU 101 + HG3 GLN 42 OK 47 83 - 57 - 7723/3.5=21, 7722/3.5=7...(19) QD2 LEU 101 + HG3 GLN 42 OK 23 68 - 34 - 4.7/6779=5, 2.1/2854=5...(14) QD2 LEU 58 + HG3 GLN 42 OK 13 96 - 14 - 6789/3.5=2, 6792/3.5=2...(7) QG1 VAL 18 + HG3 GLN 42 OK 13 81 - 16 - 6789/3.5=2, 6792/3.5=2...(9) QD1 LEU 58 + HG3 GLN 42 OK 13 100 - 13 - 7061/1.8=2, 6789/3.5=2...(4) HG2 LYS 65 - HG3 GLN 42 poor 8 71 - 11 - 6789/3.5=2, 6792/3.5=2...(6) HG3 LYS 65 - HG3 GLN 42 poor 8 71 - 11 - 6789/3.5=2, 6792/3.5=2...(6) QG1 VAL 120 - HG3 GLN 42 lone 2 71 - 3 - Peak 6803 from cnoeabs.peaks (1.53, 3.92, 54.55 ppm; 4.48 A): 4 out of 10 assignments used, quality = 0.88: HD3 LYS 46 + HA ALA 43 OK 80 100 - 80 - 6867=15, 3.5/6805=11...(25) HG3 LYS 109 + HA ALA 43 OK 28 78 - 36 - 4920/3.0=5, ~4910=4...(12) HG12 ILE 124 + HA ALA 43 OK 11 71 - 15 - 4.9/6035=4, 3.0/6805=2...(5) HB3 LEU 114 + HA ALA 43 OK 11 65 - 16 - 7943/2.1=2, ~7942=2...(7) HB2 LYS 65 - HA ALA 43 lone 8 89 - 9 - 4.7/5572=2 HB3 LYS 65 - HA ALA 43 lone 8 89 - 9 - 4.7/5572=2 HG2 ARG 85 - HA ALA 43 poor 6 60 - 10 - 1.8/4307=2, ~178=1...(4) HB2 LEU 24 - HA ALA 43 lone 4 81 - 5 - HG2 ARG 92 - HA ALA 43 lone 2 89 - 3 - HG3 ARG 92 - HA ALA 43 lone 2 85 - 3 - Peak 6804 from cnoeabs.peaks (1.75, 3.92, 54.55 ppm; 4.15 A): 3 out of 16 assignments used, quality = 0.95: HB3 LYS 46 + HA ALA 43 OK 83 100 - 83 - 1.8/6805=14, 4.0/6812=13...(26) HG2 GLN 42 + HA ALA 43 OK 58 99 - 59 - ~180=14, ~5571=10...(11) HB2 LEU 45 + HA ALA 43 OK 37 100 - 37 - 4.3/6812=13, 4.0/6035=11...(8) HD2 LYS 109 - HA ALA 43 OK 30 97 - 31 - 3.0/6803=5, 179/3.0=3...(13) HD3 LYS 109 - HA ALA 43 OK 29 93 - 31 - 3.0/6803=5, 179/3.0=3...(13) HB VAL 66 - HA ALA 43 OK 11 100 - 11 - 3665/3.6=2, 4.0/5572=2...(5) HG3 ARG 71 - HA ALA 43 OK 11 100 - 11 - ~176=2, 179/3.0=2...(4) HG2 ARG 71 - HA ALA 43 OK 10 99 - 10 - ~176=2, 179/3.0=1...(4) HG LEU 117 - HA ALA 43 lone 6 97 - 6 - HG3 PRO 30 - HA ALA 43 lone 6 96 - 6 - 179/3.0=1 HB2 ARG 53 - HA ALA 43 lone 5 97 - 5 - HB2 LEU 91 - HA ALA 43 lone 4 89 - 5 - HB2 LEU 117 - HA ALA 43 lone 4 78 - 5 - HB3 ARG 71 - HA ALA 43 lone 4 76 - 5 - HB2 GLU 75 - HA ALA 43 lone 3 73 - 4 - HB2 LYS 31 - HA ALA 43 lone 2 65 - 3 - Peak 6805 from cnoeabs.peaks (2.00, 3.92, 54.55 ppm; 4.12 A): 2 out of 14 assignments used, quality = 0.88: HB2 LYS 46 + HA ALA 43 OK 82 100 - 82 - 6864=13, 4.0/6812=13...(27) HB2 LEU 41 + HA ALA 43 OK 36 87 - 41 - 3.0/6810=8, ~180=7...(10) HB3 PRO 68 - HA ALA 43 OK 14 87 - 16 - 3744=2, 6808/2.1=2...(8) HG LEU 45 - HA ALA 43 OK 14 60 - 24 - 5.2/6035=8, 3.0/6804=4...(7) HB ILE 124 - HA ALA 43 OK 14 87 - 16 - 4.0/6035=5, 3.0/6803=2...(6) HB3 GLN 103 - HA ALA 43 OK 14 87 - 16 - 4.6/6812=2, 5845/3.0=2...(7) HG2 PRO 68 - HA ALA 43 OK 13 81 - 16 - 2.3/3744=2, 6808/2.1=2...(8) HG LEU 114 - HA ALA 43 OK 11 81 - 14 - ~7959=2, 3.0/6803=2...(6) HB2 LEU 55 - HA ALA 43 OK 10 100 - 10 - ~6811=1, 6808/2.1=1 HB2 MET 11 - HA ALA 43 lone 6 92 - 6 - 6864=1 HB2 ARG 71 - HA ALA 43 lone 5 65 - 7 - 3.0/6804=1, 3.0/6804=1 HB3 ARG 53 - HA ALA 43 lone 3 78 - 4 - HG2 PRO 60 - HA ALA 43 lone 2 99 - 2 - HB2 GLU 94 - HA ALA 43 lone 2 100 - 2 - Peak 6806 from cnoeabs.peaks (0.92, 1.34, 17.95 ppm; 4.36 A): 4 out of 13 assignments used, quality = 0.95: HB2 GLN 42 + QB ALA 43 OK 76 100 - 76 - 4.6/2862=26, 4.0/6817=17...(16) QD1 LEU 41 + QB ALA 43 OK 50 89 - 57 - 4.9/6817=14, 8265=8...(15) QD2 LEU 41 + QB ALA 43 OK 38 68 - 55 - 4.9/6817=14, 2.1/8265=8...(15) QG2 VAL 115 + QB ALA 43 OK 34 98 - 34 - 7977=6, 7974/4.6=4...(11) QD2 LEU 27 - QB ALA 43 OK 22 99 - 22 - 6533/6813=3, 177/2.9=3...(8) QD1 LEU 27 - QB ALA 43 OK 20 97 - 21 - 177/2.9=3, 8409/6813=2...(8) QG2 VAL 49 - QB ALA 43 OK 15 100 - 15 - 6827/4.6=6, 6824/3.6=5 QD1 LEU 55 - QB ALA 43 OK 13 83 - 16 - 4.0/6811=2, 2.1/8298=2...(6) QG2 ILE 22 - QB ALA 43 lone 10 98 - 10 - 177/2.9=1 QD1 ILE 124 - QB ALA 43 poor 9 63 - 15 - 4.7/6815=5, 3.2/6808=2...(5) QD1 LEU 117 - QB ALA 43 lone 9 99 - 9 - 177/2.9=1, 6824/3.6=1 QD1 ILE 63 - QB ALA 43 lone 5 68 - 8 - QD1 LEU 126 - QB ALA 43 lone 3 99 - 3 - Peak 6807 from cnoeabs.peaks (1.75, 1.34, 17.95 ppm; 4.53 A): 3 out of 16 assignments used, quality = 0.97: HB3 LYS 46 + QB ALA 43 OK 82 99 - 83 - 4.0/6814=13, 6804/2.1=11...(25) HG2 GLN 42 + QB ALA 43 OK 71 93 - 76 - ~180=17, 5.2/6817=14...(15) HB2 LEU 45 + QB ALA 43 OK 42 99 - 43 - 4.0/6815=13, 4.3/6814=13...(9) HD2 LYS 109 - QB ALA 43 OK 31 89 - 35 - 6804/2.1=4, ~6803=4...(13) HD3 LYS 109 - QB ALA 43 OK 29 83 - 34 - 6804/2.1=4, ~6803=4...(13) HG3 ARG 71 - QB ALA 43 OK 13 97 - 14 - ~176=2, 179/2.9=2...(6) HG2 ARG 71 - QB ALA 43 OK 13 100 - 13 - ~176=2, 179/2.9=2...(6) HB VAL 66 - QB ALA 43 OK 12 100 - 11 - 3665/3.6=3, 6804/2.1=2...(5) HB3 LEU 55 - QB ALA 43 poor 9 63 - 15 - 3.0/6811=2, 1.8/6808=2...(5) HB2 ARG 53 - QB ALA 43 lone 8 100 - 8 - 4.7/6813=2, 4.0/6816=1 HG3 PRO 30 - QB ALA 43 lone 8 87 - 9 - 179/2.9=1 HG LEU 117 - QB ALA 43 lone 7 89 - 8 - 2.1/6806=1 HB2 LEU 91 - QB ALA 43 lone 6 97 - 7 - 5789/3.6=1, 4.2/5573=1 HB3 ARG 71 - QB ALA 43 lone 6 89 - 7 - 1.8/6808=1 HB2 LEU 117 - QB ALA 43 lone 5 63 - 7 - HB2 LYS 31 - QB ALA 43 lone 4 81 - 5 - Peak 6808 from cnoeabs.peaks (1.98, 1.34, 17.95 ppm; 4.70 A): 3 out of 13 assignments used, quality = 0.95: HB2 LYS 46 + QB ALA 43 OK 79 93 - 85 - 4.0/6814=14, 6864/2.1=12...(26) HB2 LEU 41 + QB ALA 43 OK 67 100 - 67 - 4.2/6817=18, 4.1/6816=9...(13) HG LEU 45 + QB ALA 43 OK 32 96 - 34 - 5.2/6815=11, 3.0/6807=4...(9) HB3 PRO 68 - QB ALA 43 OK 23 100 - 23 - 3.0/2863=2, 3.0/2863=2...(9) HB ILE 124 - QB ALA 43 OK 23 100 - 23 - 4.0/6815=7, 6821/3.6=2...(8) HG2 PRO 68 - QB ALA 43 OK 23 100 - 23 - 2.3/2863=3, 2.3/2863=3...(11) HB3 GLN 103 - QB ALA 43 OK 22 100 - 22 - 5845/2.9=3, 4.6/6814=3...(8) HG LEU 114 - QB ALA 43 OK 20 100 - 20 - 2.1/7959=3, 3.0/7943=3...(7) HB2 LEU 55 - QB ALA 43 OK 17 89 - 19 - 3.0/6811=2, 3.0/8298=2...(7) HB2 ARG 71 - QB ALA 43 OK 11 97 - 11 - 6821/3.6=2, 3.0/6807=1...(4) HB2 MET 11 - QB ALA 43 lone 8 100 - 8 - HB2 GLU 94 - QB ALA 43 lone 4 93 - 4 - 4.0/6816=1 HG2 PRO 60 - QB ALA 43 lone 4 98 - 4 - Peak 6809 from cnoeabs.peaks (3.62, 1.34, 17.95 ppm; 4.81 A): 3 out of 7 assignments used, quality = 0.95: HA LYS 46 + QB ALA 43 OK 80 93 - 86 - 2.9/6814=18, ~6812=14...(23) HA LEU 41 + QB ALA 43 OK 65 83 - 79 - 3.6/6817=22, 6023/3.6=17...(17) HA2 GLY 39 + QB ALA 43 OK 32 85 - 38 - 6016/2.9=18, ~1599=10...(5) HA VAL 115 - QB ALA 43 OK 32 99 - 32 - 1598/2.9=5, 3.2/7977=5...(9) HA LEU 111 - QB ALA 43 OK 30 90 - 33 - 3.6/6817=8, 1598/2.9=6...(8) HA ILE 80 - QB ALA 43 OK 19 95 - 19 - 1603/3.6=3, 1595/2.9=3...(5) HD2 PRO 70 - QB ALA 43 OK 12 96 - 12 - 6835/4.6=3, 1598/2.9=2 Peak 6810 from cnoeabs.peaks (3.64, 3.92, 54.55 ppm; 5.05 A): 2 out of 5 assignments used, quality = 0.97: HA LYS 46 + HA ALA 43 OK 90 100 - 90 - 2.9/6812=23, 1595/3.0=16...(24) HA LEU 41 + HA ALA 43 OK 71 100 - 71 - 6023/3.6=22, 1595/3.0=15...(14) HA VAL 115 - HA ALA 43 OK 21 76 - 27 - 1603/3.6=4, 6809/2.1=4...(9) HA ILE 80 - HA ALA 43 OK 17 100 - 17 - 1603/3.6=4, 1595/3.0=4...(5) HD2 PRO 70 - HA ALA 43 lone 4 60 - 7 - 6809/2.1=1, 1598/3.0=1 Peak 6811 from cnoeabs.peaks (4.07, 1.34, 17.95 ppm; 4.24 A): 2 out of 9 assignments used, quality = 0.93: HA SER 44 + QB ALA 43 OK 91 100 - 91 - 4.6=77, 2.9/5573=26...(7) HA LYS 109 + QB ALA 43 OK 29 92 - 32 - 4880/2.9=6, 6206/2.1=6...(9) HA SER 112 - QB ALA 43 OK 25 98 - 26 - 3.0/6817=7, 6225/3.6=4...(8) HA LEU 55 - QB ALA 43 OK 12 97 - 13 - 961/3.6=2, 3.0/6808=1...(4) HA TYR 102 - QB ALA 43 OK 11 81 - 14 - 7737=3, 3.7/4820=2...(5) HD3 PRO 37 - QB ALA 43 lone 4 73 - 5 - 961/3.6=2 HA LYS 31 - QB ALA 43 lone 4 92 - 4 - HA VAL 120 - QB ALA 43 lone 3 92 - 3 - HA LEU 24 - QB ALA 43 lone 3 60 - 5 - Peak 6812 from cnoeabs.peaks (6.89, 3.92, 54.55 ppm; 4.60 A): 4 out of 4 assignments used, quality = 0.88: H LYS 46 + HA ALA 43 OK 79 97 - 82 - 6862=22, 6814/2.1=18...(18) HZ3 TRP 20 + HA ALA 43 OK 18 99 - 19 - 6814/2.1=6, 6818/3.6=3...(5) QE TYR 102 + HA ALA 43 OK 17 89 - 19 - 6814/2.1=4, ~4820=2...(8) HE22 GLN 103 + HA ALA 43 OK 15 97 - 16 - 6814/2.1=5, 6818/3.6=2...(5) Peak 6813 from cnoeabs.peaks (7.12, 1.34, 17.95 ppm; 4.76 A): 2 out of 5 assignments used, quality = 0.46: QD PHE 40 + QB ALA 43 OK 37 100 - 37 - 3.7/6020=22, 4.5/6816=9 QD PHE 83 + QB ALA 43 OK 14 100 - 14 - ~6802=4, ~176=3...(4) H LEU 93 - QB ALA 43 lone 5 71 - 7 - 4.6/5573=1, 4.6/6816=1 HE ARG 53 - QB ALA 43 lone 5 83 - 6 - 2741/6020=1 HE ARG 92 - QB ALA 43 lone 3 97 - 3 - Peak 6814 from cnoeabs.peaks (6.89, 1.34, 17.95 ppm; 4.99 A): 4 out of 4 assignments used, quality = 0.91: H LYS 46 + QB ALA 43 OK 81 100 - 81 - 6812/2.1=25, 6818/3.6=17...(16) HZ3 TRP 20 + QB ALA 43 OK 26 100 - 26 - 6812/2.1=6, 6818/3.6=4...(6) HE22 GLN 103 + QB ALA 43 OK 20 100 - 20 - 6812/2.1=5, 6818/3.6=3...(4) QE TYR 102 + QB ALA 43 OK 16 76 - 22 - 6812/2.1=5, 2.2/4820=3...(5) Peak 6815 from cnoeabs.peaks (7.79, 1.34, 17.95 ppm; 4.68 A): 3 out of 4 assignments used, quality = 0.87: H LEU 45 + QB ALA 43 OK 73 100 - 73 - 1453/3.6=23, 6035/2.1=19...(13) H ILE 124 + QB ALA 43 OK 34 100 - 35 - 6035/2.1=8, 1600/2.9=7...(7) H GLY 48 + QB ALA 43 OK 29 87 - 33 - 6035/2.1=7, 1453/3.6=7...(7) HD21 ASN 106 - QB ALA 43 lone 7 76 - 8 - 1600/2.9=2, 6035/2.1=2 Peak 6816 from cnoeabs.peaks (8.52, 1.34, 17.95 ppm; 4.72 A): 4 out of 11 assignments used, quality = 0.76: H LEU 41 + QB ALA 43 OK 51 73 - 70 - 3.6/6020=22, 4.6/6817=17...(10) H PHE 40 + QB ALA 43 OK 33 60 - 55 - 3.0/6020=24, ~6018=14...(6) H LEU 84 + QB ALA 43 OK 13 78 - 17 - 4.6/6813=5, ~6802=3...(5) H LEU 77 + QB ALA 43 OK 13 99 - 13 - 4.5/6817=4, 3.6/6020=3 H GLU 38 - QB ALA 43 lone 9 100 - 9 - 1596/2.9=2, 151/4.6=1 H GLU 28 - QB ALA 43 lone 6 85 - 8 - 4.8/6806=2, 4.8/6806=2 H GLU 94 - QB ALA 43 lone 6 78 - 8 - 4.6/6813=2, 1596/2.9=2 H ARG 53 - QB ALA 43 lone 6 68 - 9 - 1596/2.9=3, 168/6817=1 H LYS 31 - QB ALA 43 lone 4 81 - 5 - H SER 13 - QB ALA 43 lone 2 89 - 2 - H GLY 2 - QB ALA 43 lone 1 57 - 2 - Peak 6817 from cnoeabs.peaks (8.05, 1.34, 17.95 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.81: H GLN 42 + QB ALA 43 OK 70 100 - 70 - 175/2.9=25, 1602/3.6=18...(14) H SER 112 + QB ALA 43 OK 24 78 - 31 - 175/2.9=8, 1602/3.6=6...(6) H SER 78 + QB ALA 43 OK 16 90 - 17 - 175/2.9=5, 1602/3.6=3...(5) Peak 6819 from cnoeabs.peaks (6.90, 4.07, 60.94 ppm; 4.97 A): 4 out of 4 assignments used, quality = 0.90: H LYS 46 + HA SER 44 OK 82 100 - 83 - 1454/3.6=29, 6818/2.9=22...(15) HZ3 TRP 20 + HA SER 44 OK 20 100 - 20 - 1454/3.6=6, 6818/2.9=5 HE22 GLN 103 + HA SER 44 OK 17 100 - 17 - 6818/2.9=4, 1454/3.6=4 QE TYR 102 + HA SER 44 OK 10 60 - 17 - 1454/3.6=4, 6814/4.6=3 Peak 6826 from cnoeabs.peaks (1.32, 4.07, 60.94 ppm; 4.19 A): 3 out of 9 assignments used, quality = 0.97: QB ALA 43 + HA SER 44 OK 86 97 - 89 - 4.6=75, 5573/2.9=25...(7) HG2 LYS 46 + HA SER 44 OK 55 99 - 55 - 5.1/6819=10, 185/2.9=8...(16) HG3 LYS 46 + HA SER 44 OK 55 99 - 55 - 5.1/6819=10, 185/2.9=8...(16) QG2 THR 17 - HA SER 44 OK 25 99 - 25 - ~1604=5, 6340/3.0=4...(7) HB3 LEU 84 - HA SER 44 OK 14 95 - 14 - 3.0/2868=3, ~963=2...(5) HG3 LYS 119 - HA SER 44 lone 5 100 - 5 - QG2 THR 23 - HA SER 44 lone 5 99 - 5 - HG CYS 87 - HA SER 44 lone 3 97 - 3 - HB3 LEU 59 - HA SER 44 lone 3 76 - 4 - Peak 6827 from cnoeabs.peaks (0.92, 4.07, 60.94 ppm; 3.89 A): 8 out of 13 assignments used, quality = 0.94: QG2 VAL 49 + HA SER 44 OK 59 100 - 60 - 3.2/6836=21, ~6820=11...(10) QG2 VAL 115 + HA SER 44 OK 35 98 - 36 - 7974=7, 2.1/6228=4...(13) QD1 LEU 41 + HA SER 44 OK 30 89 - 34 - 6824/2.9=4, 4.1/6835=4...(11) HB2 GLN 42 + HA SER 44 OK 27 100 - 27 - ~1601=6, 6824/2.9=5...(8) QD2 LEU 27 + HA SER 44 OK 22 99 - 22 - 6532/3.0=6, 6831/3.0=3...(8) QD1 LEU 27 + HA SER 44 OK 20 97 - 21 - ~6532=4, 6829/3.0=3...(9) QD2 LEU 41 + HA SER 44 OK 20 68 - 30 - 4.1/6835=4, 6753/3.0=4...(11) QD1 LEU 55 + HA SER 44 OK 14 83 - 16 - 6906/3.0=2, 3248=2...(8) QD1 LEU 117 - HA SER 44 lone 8 99 - 8 - 3043/6836=2 QG2 ILE 22 - HA SER 44 lone 8 98 - 8 - 6831/3.0=1, 6829/3.0=1 QD1 ILE 124 - HA SER 44 poor 7 63 - 10 - 5369/3.6=3, 4.7/5574=3 QD1 ILE 63 - HA SER 44 lone 4 68 - 5 - QD1 LEU 126 - HA SER 44 lone 3 99 - 3 - Peak 6828 from cnoeabs.peaks (0.56, 4.07, 60.94 ppm; 5.17 A): 4 out of 4 assignments used, quality = 0.79: QD2 LEU 45 + HA SER 44 OK 52 99 - 53 - 969/3.6=20, 6830/3.0=15...(7) HG12 ILE 34 + HA SER 44 OK 27 97 - 28 - 969/3.6=8, 6830/3.0=8...(6) QG1 VAL 50 + HA SER 44 OK 26 100 - 26 - 969/3.6=8, 6830/3.0=7...(5) QD2 LEU 77 + HA SER 44 OK 19 97 - 20 - 6830/3.0=4, 969/3.6=4...(5) Peak 6829 from cnoeabs.peaks (0.92, 3.46, 62.81 ppm; 3.74 A): 5 out of 11 assignments used, quality = 0.81: QG2 VAL 49 + HB2 SER 44 OK 53 100 - 53 - 3.2/6834=18, 6906=15...(7) QD1 LEU 41 + HB2 SER 44 OK 23 97 - 24 - 4.1/6024=10, ~6753=5...(6) QD2 LEU 27 + HB2 SER 44 OK 21 100 - 21 - 6532=9, 6532/1.8=4...(6) QG2 VAL 115 + HB2 SER 44 OK 18 100 - 18 - 7974/3.0=4, 3.2/6025=3...(7) QD1 LEU 27 + HB2 SER 44 OK 17 100 - 17 - 2.1/6532=7, ~6532=2...(5) QD1 LEU 55 - HB2 SER 44 poor 10 93 - 10 - 6906=3, 6827/3.0=1 HB2 GLN 42 - HB2 SER 44 lone 9 100 - 9 - 6824/4.0=4, 6827/3.0=3 QG2 ILE 22 - HB2 SER 44 lone 6 100 - 6 - 3.0/6440=1 QD1 LEU 117 - HB2 SER 44 lone 6 96 - 6 - 6906=1 QD1 ILE 63 - HB2 SER 44 lone 3 83 - 3 - QD1 LEU 126 - HB2 SER 44 lone 2 95 - 2 - Peak 6830 from cnoeabs.peaks (0.55, 3.46, 62.81 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.49: QD2 LEU 45 + HB2 SER 44 OK 30 100 - 30 - 4.7/188=18, 6828/3.0=11 HG12 ILE 34 + HB2 SER 44 OK 16 100 - 16 - 969/4.6=6, 6828/3.0=6 QG1 VAL 50 + HB2 SER 44 OK 13 90 - 15 - 969/4.6=6, 6828/3.0=6 QD2 LEU 77 - HB2 SER 44 lone 8 78 - 10 - 6828/3.0=4, 969/4.6=3 Peak 6831 from cnoeabs.peaks (0.92, 3.50, 62.81 ppm; 3.74 A): 7 out of 13 assignments used, quality = 0.85: QG2 VAL 49 + HB3 SER 44 OK 51 100 - 51 - 3.2/6833=18, 6906/1.8=13...(7) QD1 LEU 41 + HB3 SER 44 OK 23 89 - 26 - 4.1/6027=9, 2.1/6753=7...(6) QD2 LEU 27 + HB3 SER 44 OK 20 99 - 20 - 6532/1.8=7, 6532=3...(5) QG2 VAL 115 + HB3 SER 44 OK 18 98 - 19 - 7974/3.0=4, 3.2/6027=3...(7) QD2 LEU 41 + HB3 SER 44 OK 16 68 - 23 - 4.1/6027=9, 6753=7...(6) HB2 GLN 42 + HB3 SER 44 OK 15 100 - 15 - 4.6/6802=7, 6824/4.0=4 QD1 LEU 27 + HB3 SER 44 OK 15 97 - 15 - ~6532=5, 6827/3.0=2...(5) QD1 LEU 55 - HB3 SER 44 poor 9 83 - 10 - 6906/1.8=2, 6827/3.0=1 QG2 ILE 22 - HB3 SER 44 lone 7 98 - 7 - 4.0/1566=1 QD1 LEU 117 - HB3 SER 44 lone 6 99 - 6 - 3043/6833=1, 6906/1.8=1 QD1 ILE 124 - HB3 SER 44 lone 4 63 - 6 - 5369/4.6=2, 4.7/5576=2 QD1 ILE 63 - HB3 SER 44 lone 2 68 - 3 - QD1 LEU 126 - HB3 SER 44 lone 2 99 - 2 - Peak 6832 from cnoeabs.peaks (0.55, 3.50, 62.81 ppm; 5.06 A): 3 out of 4 assignments used, quality = 0.52: QD2 LEU 45 + HB3 SER 44 OK 32 100 - 33 - 4.7/189=20, 6828/3.0=13 HG12 ILE 34 + HB3 SER 44 OK 17 100 - 17 - 969/4.6=7, 6828/3.0=7, ~6640=3 QG1 VAL 50 + HB3 SER 44 OK 14 90 - 16 - 969/4.6=7, 6828/3.0=6 QD2 LEU 77 - HB3 SER 44 poor 8 78 - 10 - 6828/3.0=5, 969/4.6=3 Peak 6833 from cnoeabs.peaks (3.28, 3.50, 62.81 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.62: HA VAL 49 + HB3 SER 44 OK 62 89 - 70 - 6836/3.0=32, 6820/4.0=31...(8) Peak 6834 from cnoeabs.peaks (3.29, 3.46, 62.81 ppm; 4.89 A): 0 out of 2 assignments used, low quality = 0.36: HA VAL 49 - HB2 SER 44 OK 36 63 - 57 - 6820/4.0=25, 6836/3.0=20...(7) HD2 ARG 57 - HB2 SER 44 lone 1 73 - 1 - Peak 6835 from cnoeabs.peaks (3.63, 4.07, 60.94 ppm; 4.71 A): 3 out of 7 assignments used, quality = 0.95: HA LYS 46 + HA SER 44 OK 80 99 - 81 - 2.9/6819=20, 1603/2.9=15...(18) HA LEU 41 + HA SER 44 OK 59 93 - 63 - 6023/2.9=20, 6024/3.0=17...(11) HA VAL 115 + HA SER 44 OK 39 96 - 41 - 3.2/7974=6, 3.0/6228=5...(14) HD2 PRO 70 - HA SER 44 OK 29 87 - 33 - 1.8/2867=7, 3795/3.0=6...(8) HA ILE 80 - HA SER 44 OK 24 99 - 24 - 1608/3.6=5, 6127/3.0=5...(7) HA LEU 111 - HA SER 44 OK 11 78 - 14 - 6219/2.9=3, 3.6/1345=3...(4) HA2 GLY 39 - HA SER 44 lone 4 71 - 6 - 6809/4.6=3 Peak 6836 from cnoeabs.peaks (3.27, 4.07, 60.94 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.75: HA VAL 49 + HA SER 44 OK 75 99 - 75 - 6820/2.9=38, 6833/3.0=29...(10) Peak 6839 from cnoeabs.peaks (0.99, 1.75, 43.18 ppm; 4.08 A): 7 out of 8 assignments used, quality = 0.95: QD1 LEU 101 + HB2 LEU 45 OK 72 99 - 73 - 6840/1.8=13, 8154/3.1=12...(22) HB3 LEU 27 + HB2 LEU 45 OK 39 95 - 42 - 6840/1.8=7, 8241/3.1=7...(15) HG3 LYS 65 + HB2 LEU 45 OK 25 95 - 26 - 6840/1.8=4, 6858/4.3=4...(7) HG2 LYS 65 + HB2 LEU 45 OK 25 95 - 26 - 6840/1.8=4, 6858/4.3=4...(7) QG1 VAL 18 + HB2 LEU 45 OK 21 98 - 21 - 6840/1.8=4, ~6369=3...(9) QD2 LEU 58 + HB2 LEU 45 OK 20 100 - 20 - 6840/1.8=4, 2.1/7061=3...(6) QD1 LEU 58 + HB2 LEU 45 OK 19 99 - 19 - 7061=4, 6840/1.8=3...(6) QG2 THR 95 - HB2 LEU 45 lone 2 85 - 3 - Peak 6840 from cnoeabs.peaks (0.99, 1.45, 43.18 ppm; 3.96 A): 7 out of 8 assignments used, quality = 0.94: QD1 LEU 101 + HB3 LEU 45 OK 69 99 - 71 - 6839/1.8=12, 8154/3.1=11...(24) HB3 LEU 27 + HB3 LEU 45 OK 38 95 - 40 - 6839/1.8=6, 8241/3.1=6...(14) HG3 LYS 65 + HB3 LEU 45 OK 22 95 - 23 - 6839/1.8=4, 6858/4.3=3...(8) HG2 LYS 65 + HB3 LEU 45 OK 22 95 - 23 - 6839/1.8=4, 6858/4.3=3...(8) QG1 VAL 18 + HB3 LEU 45 OK 20 98 - 21 - 2.1/8398=3, 6839/1.8=3...(8) QD2 LEU 58 + HB3 LEU 45 OK 20 100 - 20 - 6839/1.8=3, ~6839=2...(7) QD1 LEU 58 + HB3 LEU 45 OK 17 99 - 17 - 6839/1.8=3, ~6839=2...(6) QG2 THR 95 - HB3 LEU 45 lone 3 85 - 3 - Peak 6841 from cnoeabs.peaks (0.14, 1.97, 25.89 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.60: QD2 LEU 51 + HG LEU 45 OK 49 90 - 54 - 6842/2.1=12, 6933=10...(13) QG1 VAL 110 + HG LEU 45 OK 23 100 - 23 - 7876/2.1=7, 7877=6...(6) QD2 LEU 84 - HG LEU 45 lone 8 100 - 8 - 6842/2.1=1 Peak 6842 from cnoeabs.peaks (0.16, 0.55, 21.35 ppm; 3.36 A): 5 out of 8 assignments used, quality = 0.78: QD2 LEU 51 + QD2 LEU 45 OK 42 100 - 42 - 6841/2.1=9, 2.1/8630=7...(13) QD1 ILE 34 + QD2 LEU 45 OK 37 78 - 47 - 2626=10, 2.1/2619=8...(15) QD2 LEU 51 + QG1 VAL 50 OK 23 78 - 30 - 3095/4.3=8, 6931/2.1=7...(6) QG1 VAL 110 + QD2 LEU 45 OK 11 83 - 14 - 6841/2.1=4, 7876/2.1=4...(4) QD1 ILE 34 + QG1 VAL 50 OK 11 54 - 19 - 2626=4, 1003/4.3=3...(8) QD2 LEU 84 - QG1 VAL 50 lone 5 58 - 9 - 1003/4.3=2 QD2 LEU 84 - QD2 LEU 45 lone 5 83 - 6 - 6841/2.1=2 QG1 VAL 110 - QG1 VAL 50 lone 4 58 - 7 - 1003/4.3=3 Peak 6845 from cnoeabs.peaks (1.64, 0.55, 21.35 ppm; 3.57 A): 5 out of 24 assignments used, quality = 0.96: HG LEU 51 + QD2 LEU 45 OK 51 99 - 52 - 2.1/6842=11, ~6841=9...(15) HB ILE 34 + QD2 LEU 45 OK 50 99 - 50 - 2598=13, 2.1/2605=8...(16) HB3 LEU 41 + QD2 LEU 45 OK 49 92 - 53 - ~6754=6, 6750/2.1=6...(20) HG LEU 27 + QD2 LEU 45 OK 45 97 - 47 - 6560=9, 2.1/6528=8...(13) HG LEU 101 + QD2 LEU 45 OK 39 78 - 49 - 2.1/8153=14, 2.1/8154=11...(17) HG LEU 27 - QG1 VAL 50 OK 33 72 - 46 - 2.1/6528=9, 6560=9...(13) HB3 GLN 42 - QD2 LEU 45 OK 31 100 - 31 - ~6786=5, ~6032=3...(14) HG LEU 51 - QG1 VAL 50 OK 25 76 - 33 - 3088/4.3=8, 8630=6...(7) HB ILE 34 - QG1 VAL 50 OK 16 76 - 21 - 2598=5, 2.1/2605=3...(9) HG2 PRO 30 - QD2 LEU 45 OK 13 63 - 21 - 1.8/8246=2, 8248=2...(5) HG LEU 101 - QG1 VAL 50 poor 7 54 - 14 - 2.1/8153=5, 2.1/8154=4 HD2 LYS 31 - QD2 LEU 45 lone 6 83 - 7 - HD3 LYS 31 - QD2 LEU 45 lone 6 83 - 7 - HG3 ARG 85 - QD2 LEU 45 lone 6 100 - 6 - HB3 LEU 41 - QG1 VAL 50 lone 5 66 - 8 - HB3 GLN 42 - QG1 VAL 50 lone 4 77 - 5 - HB2 LEU 59 - QG1 VAL 50 lone 4 63 - 6 - 1002/4.3=1 HB3 LYS 32 - QD2 LEU 45 lone 3 100 - 3 - HD2 LYS 31 - QG1 VAL 50 lone 3 58 - 5 - HD3 LYS 31 - QG1 VAL 50 lone 3 58 - 5 - HG3 ARG 85 - QG1 VAL 50 lone 3 77 - 4 - 1002/4.3=1 HB2 LEU 59 - QD2 LEU 45 lone 3 89 - 3 - HB3 LYS 32 - QG1 VAL 50 lone 2 78 - 3 - HG2 PRO 30 - QG1 VAL 50 lone 2 42 - 4 - Peak 6847 from cnoeabs.peaks (3.56, 0.55, 21.35 ppm; 4.33 A): 4 out of 12 assignments used, quality = 0.80: HA LEU 51 + QD2 LEU 45 OK 48 100 - 48 - 8426=12, 4.0/6842=9...(9) HA LEU 51 + QG1 VAL 50 OK 43 77 - 55 - 2.9/222=17, 8426=16...(9) HB2 ASP 47 + QD2 LEU 45 OK 20 92 - 22 - 3.0/2906=5, 4.2/2905=4...(6) HA2 GLY 48 + QD2 LEU 45 OK 16 68 - 24 - 3.0/2905=5, ~2912=4...(7) HA ASN 118 - QG1 VAL 50 poor 10 76 - 13 - 999/4.3=3, 8022/2.1=3, ~602=2 HA GLU 75 - QD2 LEU 45 poor 9 60 - 14 - 3.0/2908=1, 3951/3.1=1...(5) HD2 PRO 60 - QD2 LEU 45 lone 7 99 - 7 - HD2 PRO 60 - QG1 VAL 50 lone 6 76 - 8 - 999/4.3=3 HA ASN 118 - QD2 LEU 45 lone 6 99 - 6 - HA2 GLY 48 - QG1 VAL 50 lone 4 46 - 8 - 999/4.3=4, 3.0/2905=1 HB2 ASP 47 - QG1 VAL 50 lone 3 66 - 5 - HA GLU 75 - QG1 VAL 50 lone 2 40 - 4 - 999/4.3=1 Peak 6848 from cnoeabs.peaks (3.21, 0.65, 25.76 ppm; 5.17 A): 4 out of 6 assignments used, quality = 0.96: HA GLN 42 + QD1 LEU 45 OK 73 100 - 73 - 6786=23, 6030/4.7=17...(18) HD2 ARG 71 + QD1 LEU 45 OK 57 99 - 58 - 6032/3.1=12, 3880/2.1=7...(20) HB3 TRP 20 + QD1 LEU 45 OK 46 97 - 47 - 6032/3.1=8, 2039/4.0=8...(12) HD3 ARG 71 + QD1 LEU 45 OK 36 65 - 55 - ~6032=9, 6032/3.1=7...(20) HB3 PHE 83 - QD1 LEU 45 OK 17 100 - 17 - 7473=4, 1607/4.7=3...(6) HD2 ARG 81 - QD1 LEU 45 OK 12 96 - 12 - 4784/6849=3, 6032/3.1=2...(5) Peak 6849 from cnoeabs.peaks (6.99, 0.65, 25.76 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.63: QE PHE 107 + QD1 LEU 45 OK 56 100 - 56 - 4797=16, 2.2/4780=10...(16) H LEU 101 + QD1 LEU 45 OK 16 87 - 18 - 4.7/7707=4, 4.0/2915=4...(6) HD22 ASN 108 - QD1 LEU 45 lone 5 92 - 5 - Peak 6853 from cnoeabs.peaks (7.22, 3.64, 60.95 ppm; 4.79 A): 4 out of 6 assignments used, quality = 0.90: QD TYR 102 + HA LYS 46 OK 75 100 - 75 - 3.7/7746=15, 4820/3.9=14...(17) H LYS 65 + HA LYS 46 OK 45 99 - 45 - 4.9/6859=6, 4.9/6859=6...(15) QD TYR 67 + HA LYS 46 OK 14 78 - 18 - 8584/5.2=2, 8581/6.1=2...(7) QE PHE 40 + HA LYS 46 OK 14 100 - 14 - 6350/8391=2, 8584/5.2=1 QE PHE 96 - HA LYS 46 poor 8 76 - 11 - 7397/8585=1, 7727/7716=1 H VAL 26 - HA LYS 46 lone 4 65 - 5 - Peak 6854 from cnoeabs.peaks (7.77, 3.64, 60.95 ppm; 4.59 A): 3 out of 4 assignments used, quality = 0.92: H LEU 45 + HA LYS 46 OK 74 90 - 82 - 1454/2.9=27, 1608=21...(22) H GLY 48 + HA LYS 46 OK 52 100 - 52 - 207/3.6=28, 190/2.9=9...(7) H ILE 124 + HA LYS 46 OK 40 96 - 41 - 190/2.9=8, 6855/3.0=6...(13) H LEU 91 - HA LYS 46 lone 4 78 - 5 - Peak 6855 from cnoeabs.peaks (7.79, 2.00, 33.20 ppm; 5.00 A): 3 out of 8 assignments used, quality = 0.95: H LEU 45 + HB2 LYS 46 OK 81 100 - 81 - 1454/4.0=27, 1608/3.0=19...(21) H ILE 124 + HB2 LYS 46 OK 52 100 - 52 - 190/4.0=8, 6856/1.8=8...(17) H GLY 48 + HB2 LYS 46 OK 41 87 - 48 - 207/4.4=24, 190/4.0=9...(6) HD21 ASN 106 - HB2 LYS 46 poor 10 76 - 13 - 6856/1.8=3, ~7800=2...(5) H LEU 45 - HB2 MET 11 lone 9 95 - 9 - 4.5/2929=2 H ILE 124 - HB2 MET 11 lone 7 94 - 7 - H GLY 48 - HB2 MET 11 lone 4 78 - 5 - 4.4/5584=2 HD21 ASN 106 - HB2 MET 11 lone 1 67 - 2 - Peak 6856 from cnoeabs.peaks (7.79, 1.75, 33.20 ppm; 4.69 A): 5 out of 10 assignments used, quality = 0.95: H LEU 45 + HB3 LYS 46 OK 79 99 - 80 - 1454/4.0=24, 1608/3.0=17...(20) H ILE 124 + HB3 LYS 46 OK 41 97 - 42 - 6855/1.8=9, 190/4.0=7...(12) H GLY 48 + HB3 LYS 46 OK 30 73 - 41 - 207/4.4=18, 190/4.0=8...(5) H LEU 45 + HG2 GLN 42 OK 26 69 - 38 - 6030/3.9=16, 4.6/6822=4...(13) HD21 ASN 106 + HB3 LYS 46 OK 14 89 - 15 - 7796/3.5=2, ~7800=2...(7) H GLY 25 - HB3 LYS 46 poor 9 73 - 12 - 87/3.5=2, 85/3.5=2...(4) H ILE 124 - HG2 GLN 42 poor 8 65 - 12 - 6030/3.9=5 H GLY 48 - HG2 GLN 42 poor 7 45 - 14 - 6030/3.9=4, 4.4/200=2...(4) HD21 ASN 106 - HG2 GLN 42 lone 3 57 - 6 - H GLY 25 - HG2 GLN 42 lone 3 45 - 6 - 6479/3.5=2, 6483/3.0=1 Peak 6857 from cnoeabs.peaks (7.22, 1.33, 24.73 ppm; 4.07 A): 2 out of 18 assignments used, quality = 0.98: QD TYR 102 + HG2 LYS 46 OK 85 99 - 85 - 4820=19, 4820/1.8=17...(25) QD TYR 102 + HG3 LYS 46 OK 85 99 - 85 - 4820=19, 4820/1.8=17...(25) H LYS 65 - HG3 LYS 46 OK 36 100 - 36 - 8584/2.9=6, 6853/3.9=6...(12) H LYS 65 - HG2 LYS 46 OK 36 100 - 36 - 8584/2.9=6, 6853/3.9=6...(12) QD TYR 67 - HG2 LYS 46 OK 16 89 - 19 - 8584/2.9=3, 8581/3.9=2...(8) QD TYR 67 - HG3 LYS 46 OK 16 89 - 19 - 8584/2.9=3, 8581/3.9=2...(8) QD TYR 102 - HG3 LYS 119 OK 13 88 - 15 - 3.7/7737=3, 4820=2...(5) QE PHE 40 - HG2 LYS 46 lone 10 100 - 10 - 6853/3.9=2, 8584/2.9=1 QE PHE 40 - HG3 LYS 46 lone 10 100 - 10 - 6853/3.9=2, 8584/2.9=1 QD PHE 107 - HG3 LYS 46 lone 5 60 - 8 - ~6777=1 QD PHE 107 - HG2 LYS 46 lone 5 60 - 8 - ~6777=1 H LYS 65 - HG3 LYS 119 lone 5 90 - 5 - QD TYR 67 - HG3 LYS 119 lone 4 75 - 6 - QE PHE 96 - HG2 LYS 46 lone 4 63 - 6 - 6853/3.9=1 QE PHE 96 - HG3 LYS 46 lone 4 63 - 6 - 6853/3.9=1 QE PHE 40 - HG3 LYS 119 lone 3 90 - 3 - QD PHE 107 - HG3 LYS 119 lone 3 49 - 5 - QE PHE 96 - HG3 LYS 119 lone 1 51 - 3 - Peak 6859 from cnoeabs.peaks (0.99, 3.64, 60.95 ppm; 3.56 A): 6 out of 8 assignments used, quality = 0.86: QD1 LEU 101 + HA LYS 46 OK 50 100 - 50 - 7702=14, 7721/2.9=12...(9) HG2 LYS 65 + HA LYS 46 OK 36 99 - 37 - 6858/2.9=4, 4.9/6853=3...(18) HG3 LYS 65 + HA LYS 46 OK 36 99 - 37 - 6858/2.9=4, 4.9/6853=3...(18) QG1 VAL 18 + HA LYS 46 OK 14 100 - 14 - 2.1/8391=5, 6858/2.9=2 QD2 LEU 58 + HA LYS 46 OK 12 99 - 12 - 6858/2.9=2, ~6858=1, 6868/3.0=1 QD1 LEU 58 + HA LYS 46 OK 12 93 - 12 - 6858/2.9=2, 7061/3.0=1...(4) HB3 LEU 27 - HA LYS 46 lone 7 85 - 8 - 6858/2.9=2 QG2 THR 95 - HA LYS 46 lone 2 95 - 2 - Peak 6860 from cnoeabs.peaks (1.59, 3.64, 60.95 ppm; 3.82 A): 4 out of 17 assignments used, quality = 0.68: HG LEU 101 + HA LYS 46 OK 34 73 - 47 - 2.1/6859=11, ~7721=9...(15) HD2 LYS 119 + HA LYS 46 OK 24 100 - 25 - 3.0/2923=3, 3.0/2925=3...(9) HD3 LYS 119 + HA LYS 46 OK 24 100 - 25 - 3.0/2923=3, 3.0/2925=3...(9) HG2 ARG 53 + HA LYS 46 OK 15 92 - 16 - 8446=3, 3.0/2922=1, 3148/3.0=1 HG2 PRO 30 - HA LYS 46 lone 6 87 - 7 - HD3 LYS 31 - HA LYS 46 lone 4 68 - 6 - HD2 LYS 31 - HA LYS 46 lone 4 68 - 6 - HB2 LEU 59 - HA LYS 46 lone 4 60 - 7 - HG2 ARG 57 - HA LYS 46 lone 4 92 - 4 - HG3 ARG 81 - HA LYS 46 lone 3 92 - 4 - 4.9/384=2 HG2 ARG 81 - HA LYS 46 lone 3 92 - 4 - 4.9/384=2 HD2 LYS 32 - HA LYS 46 lone 3 92 - 3 - HD3 LYS 32 - HA LYS 46 lone 3 92 - 3 - HG12 ILE 63 - HA LYS 46 lone 3 99 - 3 - HG LEU 126 - HA LYS 46 lone 1 100 - 1 - HB2 LEU 126 - HA LYS 46 lone 1 99 - 1 - HB3 LEU 126 - HA LYS 46 lone 1 99 - 1 - Peak 6861 from cnoeabs.peaks (4.04, 3.64, 60.95 ppm; 4.49 A): 3 out of 8 assignments used, quality = 0.93: HA TYR 102 + HA LYS 46 OK 65 100 - 65 - 7746=23, 3.7/6853=12...(11) HA SER 44 + HA LYS 46 OK 59 76 - 78 - 2.9/1603=15, 3.6/1608=14...(18) HA LYS 109 + HA LYS 46 OK 49 99 - 50 - 8272/3.0=5, 8574/5.2=5...(21) HA LEU 55 - HA LYS 46 OK 19 96 - 20 - 6863/2.9=3, 8272/3.0=2...(7) HD3 PRO 37 - HA LYS 46 OK 19 100 - 19 - 6694/6.1=3, 8574/5.2=3...(7) HA ALA 14 - HA LYS 46 OK 14 76 - 18 - 6295/3.9=2, 6295/3.9=2...(6) HA SER 112 - HA LYS 46 OK 14 93 - 15 - 6863/2.9=2, 8272/3.0=1...(4) HA GLN 16 - HA LYS 46 lone 7 96 - 8 - Peak 6864 from cnoeabs.peaks (3.93, 2.00, 33.20 ppm; 4.35 A): 3 out of 26 assignments used, quality = 0.95: HA ALA 43 + HB2 LYS 46 OK 85 100 - 86 - 6805=18, 6812/4.0=14...(27) HD3 PRO 68 + HB2 LYS 46 OK 40 97 - 42 - 6865/1.8=5, 6866/3.5=5...(20) HD2 PRO 68 + HB2 LYS 46 OK 39 95 - 42 - 6865/1.8=5, 6866/3.5=4...(20) HA THR 23 - HB2 LYS 46 OK 25 98 - 25 - 2185/2.9=3, 2185/2.9=3...(10) HB THR 62 - HB2 LYS 46 OK 12 97 - 12 - 2.1/7113=2, ~7116=2...(6) HA2 GLY 25 - HB2 LYS 46 lone 10 98 - 10 - ~87=1, 6865/1.8=1...(5) HA ARG 85 - HB2 LYS 46 lone 8 99 - 8 - 6862/4.0=1, 6865/1.8=1 HA ALA 43 - HB2 MET 11 lone 7 94 - 7 - 6805=1 HA ILE 34 - HB2 LYS 46 lone 4 78 - 6 - 6862/4.0=1 HA3 GLY 2 - HB2 LYS 46 lone 4 78 - 5 - HA2 GLY 2 - HB2 LYS 46 lone 4 78 - 5 - HD3 PRO 68 - HB2 MET 11 lone 4 89 - 4 - HD2 PRO 68 - HB2 MET 11 lone 4 87 - 4 - HA2 GLY 125 - HB2 LYS 46 lone 4 65 - 6 - 3.0/639=2, 3.6/8128=1 HA3 GLY 125 - HB2 LYS 46 lone 4 65 - 6 - 3.0/639=2, 3.6/8128=1 HA THR 23 - HB2 MET 11 lone 3 91 - 3 - HA SER 74 - HB2 LYS 46 lone 2 76 - 3 - HA ARG 85 - HB2 MET 11 lone 1 93 - 1 - HA3 GLY 125 - HB2 MET 11 lone 1 58 - 2 - HA2 GLY 125 - HB2 MET 11 lone 1 58 - 2 - HB THR 62 - HB2 MET 11 lone 1 89 - 1 - HA SER 74 - HB2 MET 11 lone 1 67 - 1 - HA2 GLY 25 - HB2 MET 11 lone 1 91 - 1 - HA ILE 34 - HB2 MET 11 lone 1 70 - 1 - HA2 GLY 2 - HB2 MET 11 lone 1 70 - 1 - HA3 GLY 2 - HB2 MET 11 lone 1 70 - 1 - Peak 6865 from cnoeabs.peaks (3.92, 1.75, 33.20 ppm; 4.28 A): 4 out of 26 assignments used, quality = 0.97: HA ALA 43 + HB3 LYS 46 OK 84 100 - 84 - 6805/1.8=15, 6812/4.0=14...(26) HD3 PRO 68 + HB3 LYS 46 OK 44 99 - 45 - 6864/1.8=6, 6866/3.5=4...(21) HA ALA 43 + HG2 GLN 42 OK 44 71 - 61 - ~180=15, ~5571=10...(11) HD2 PRO 68 + HB3 LYS 46 OK 43 97 - 45 - 6864/1.8=5, 6866/3.5=4...(21) HA THR 23 - HB3 LYS 46 OK 24 96 - 25 - 6864/1.8=3, 2185/2.9=3...(9) HB THR 62 - HB3 LYS 46 OK 12 99 - 12 - ~7113=2, 6864/1.8=2...(5) HA2 GLY 25 - HB3 LYS 46 poor 10 96 - 10 - 6864/1.8=1, ~87=1...(6) HA ARG 85 - HB3 LYS 46 lone 8 98 - 8 - 6864/1.8=1, 6862/4.0=1 HA ILE 34 - HB3 LYS 46 lone 6 85 - 7 - 6862/4.0=1 HA ILE 34 - HG2 GLN 42 lone 5 54 - 10 - 4.1/6649=1, 3.2/6635=1...(4) HA2 GLY 2 - HB3 LYS 46 lone 4 85 - 5 - HA3 GLY 2 - HB3 LYS 46 lone 4 85 - 5 - HD3 PRO 68 - HG2 GLN 42 lone 4 68 - 5 - HD2 PRO 68 - HG2 GLN 42 lone 4 67 - 5 - HA ARG 85 - HG2 GLN 42 lone 3 68 - 5 - 4279/3.0=1 HA2 GLY 25 - HG2 GLN 42 lone 3 64 - 4 - 6480/3.5=1 HA THR 23 - HG2 GLN 42 lone 2 64 - 4 - HA3 GLY 125 - HB3 LYS 46 lone 2 57 - 4 - ~639=1 HA2 GLY 125 - HB3 LYS 46 lone 2 57 - 4 - ~639=1 HA SER 74 - HB3 LYS 46 lone 2 68 - 3 - HA SER 74 - HG2 GLN 42 lone 2 41 - 5 - HB THR 62 - HG2 GLN 42 lone 1 68 - 2 - HA2 GLY 2 - HG2 GLN 42 lone 1 54 - 1 - HA3 GLY 2 - HG2 GLN 42 lone 1 54 - 1 - HA2 GLY 125 - HG2 GLN 42 lone 0 34 - 1 - HA3 GLY 125 - HG2 GLN 42 lone 0 34 - 1 - Peak 6866 from cnoeabs.peaks (3.92, 1.46, 29.42 ppm; 4.71 A): 3 out of 13 assignments used, quality = 0.95: HA ALA 43 + HD2 LYS 46 OK 82 100 - 82 - 6803/1.8=21, 6805/3.5=12...(25) HD3 PRO 68 + HD2 LYS 46 OK 50 99 - 51 - 6867/1.8=7, ~6867=5...(20) HD2 PRO 68 + HD2 LYS 46 OK 50 99 - 51 - 6867/1.8=7, ~6867=5...(20) HA THR 23 - HD2 LYS 46 OK 30 93 - 32 - 3.6/863=4, 6867/1.8=4...(13) HA2 GLY 25 - HD2 LYS 46 OK 13 93 - 14 - 3.0/87=3, ~85=2...(5) HB THR 62 - HD2 LYS 46 OK 13 99 - 13 - ~7116=2, 6867/1.8=2...(6) HA ARG 85 - HD2 LYS 46 lone 10 97 - 10 - 6867/1.8=1, 6864/3.5=1 HB2 SER 112 - HD2 LYS 46 poor 7 63 - 11 - 3.0/8574=2 HB3 SER 112 - HD2 LYS 46 poor 6 57 - 11 - 3.0/8574=2 HA3 GLY 2 - HD2 LYS 46 lone 6 89 - 6 - HA2 GLY 2 - HD2 LYS 46 lone 6 89 - 6 - HA ILE 34 - HD2 LYS 46 lone 5 89 - 6 - HA SER 74 - HD2 LYS 46 lone 3 63 - 5 - 3.6/1131=1, 4.7/3951=1 Peak 6867 from cnoeabs.peaks (3.92, 1.53, 29.42 ppm; 4.54 A): 3 out of 14 assignments used, quality = 0.95: HA ALA 43 + HD3 LYS 46 OK 82 99 - 83 - 6803=25, 6805/3.5=12...(25) HD3 PRO 68 + HD3 LYS 46 OK 47 100 - 47 - 6866/1.8=6, ~6866=5...(18) HD2 PRO 68 + HD3 LYS 46 OK 47 100 - 47 - 6866/1.8=6, ~6866=5...(18) HA THR 23 - HD3 LYS 46 OK 24 83 - 29 - 6866/1.8=4, 2185/2.9=3...(13) HB THR 62 - HD3 LYS 46 OK 12 100 - 12 - ~7116=2, 6866/1.8=2...(5) HA2 GLY 25 - HD3 LYS 46 OK 11 83 - 13 - ~87=2, 3.0/85=2...(5) HA ARG 53 - HD3 LYS 46 poor 10 65 - 15 - 3.0/2982=1, 3123/3.5=1 HA ARG 85 - HD3 LYS 46 lone 8 89 - 8 - 6866/1.8=1 HB2 SER 112 - HD3 LYS 46 lone 7 78 - 8 - ~8574=1 HB3 SER 112 - HD3 LYS 46 lone 6 73 - 8 - ~8574=1 HA3 GLY 2 - HD3 LYS 46 lone 6 97 - 6 - HA2 GLY 2 - HD3 LYS 46 lone 6 97 - 6 - HA ILE 34 - HD3 LYS 46 lone 5 97 - 5 - HB THR 95 - HD3 LYS 46 lone 1 71 - 2 - Peak 6868 from cnoeabs.peaks (1.00, 2.00, 33.20 ppm; 5.01 A): 3 out of 16 assignments used, quality = 0.94: QD1 LEU 101 + HB2 LYS 46 OK 62 95 - 66 - 7721/4.0=18, 7702/3.0=13...(18) HG2 LYS 65 + HB2 LYS 46 OK 61 87 - 71 - 6859/3.0=9, ~6859=7...(37) HG3 LYS 65 + HB2 LYS 46 OK 61 87 - 71 - 6859/3.0=9, ~6859=7...(37) QD1 LEU 58 - HB2 LYS 46 OK 23 100 - 23 - 6858/4.0=3, 7061/1.8=3...(6) QD2 LEU 58 - HB2 LYS 46 OK 23 100 - 23 - 6858/4.0=3, 6859/3.0=3...(7) QG1 VAL 18 - HB2 LYS 46 OK 21 93 - 22 - ~8391=6, 6859/3.0=3...(8) QG1 VAL 18 - HB2 MET 11 OK 20 85 - 24 - ~1854=3, 2.1/8401=2...(14) HB3 LEU 27 - HB2 LYS 46 OK 14 99 - 14 - 6858/4.0=3, 6859/3.0=2 QD1 LEU 58 - HB2 MET 11 OK 13 95 - 14 - 5650/4.2=2, 4.9/8596=1, ~1865=1 QD2 LEU 58 - HB2 MET 11 OK 12 94 - 13 - 5649/4.2=2, 4.9/8596=1, ~1865=1 QD1 LEU 101 - HB2 MET 11 lone 5 87 - 6 - HB3 LEU 27 - HB2 MET 11 lone 4 92 - 4 - HG3 LYS 65 - HB2 MET 11 lone 3 78 - 4 - HG2 LYS 65 - HB2 MET 11 lone 3 78 - 4 - QG2 THR 95 - HB2 LYS 46 lone 3 73 - 4 - QG2 THR 95 - HB2 MET 11 lone 1 65 - 2 - Peak 6871 from cnoeabs.peaks (2.34, 3.54, 41.31 ppm; 4.21 A): 3 out of 8 assignments used, quality = 0.73: HG2 PRO 70 + HB2 ASP 47 OK 52 96 - 55 - ~8328=23, 1.8/6872=20...(9) HB3 PRO 60 + HB2 ASP 47 OK 28 89 - 32 - 2.3/6872=10, 3464=6...(7) HB3 ASN 118 + HB2 ASP 47 OK 20 90 - 22 - 5185=6, 1.8/5179=4...(9) HB2 LEU 54 - HB2 ASP 47 lone 8 99 - 8 - 6053=1, 3.1/6997=1 HG3 GLU 56 - HB2 ASP 47 lone 3 81 - 4 - 3.0/6872=1 HB3 GLU 82 - HB2 ASP 47 lone 3 100 - 3 - HB2 GLU 82 - HB2 ASP 47 lone 3 100 - 3 - HB VAL 18 - HB2 ASP 47 lone 2 81 - 2 - Peak 6872 from cnoeabs.peaks (2.04, 3.54, 41.31 ppm; 4.35 A): 2 out of 10 assignments used, quality = 0.73: HG3 PRO 70 + HB2 ASP 47 OK 61 100 - 61 - 8328/1.8=33, 1.8/6871=18...(9) HG3 PRO 60 + HB2 ASP 47 OK 32 100 - 32 - 2.3/6871=9, 3478=5...(7) HG3 PRO 37 - HB2 ASP 47 lone 4 99 - 4 - HB2 GLU 56 - HB2 ASP 47 lone 4 100 - 4 - HB ILE 63 - HB2 ASP 47 lone 3 83 - 4 - 3.2/6873=2 HB3 ARG 53 - HB2 ASP 47 lone 2 76 - 2 - HB3 GLU 38 - HB2 ASP 47 lone 1 90 - 2 - HB3 ARG 81 - HB2 ASP 47 lone 1 99 - 1 - HB2 ARG 57 - HB2 ASP 47 lone 1 63 - 2 - HG2 GLU 64 - HB2 ASP 47 lone 1 63 - 1 - Peak 6873 from cnoeabs.peaks (0.92, 3.54, 41.31 ppm; 5.11 A): 0 out of 11 assignments used, low quality = 0.23: QG2 VAL 49 - HB2 ASP 47 OK 13 100 - 13 - 6870/4.0=5, 6880/4.2=4...(4) QG2 VAL 115 - HB2 ASP 47 OK 12 100 - 12 - 6870/4.0=6, 6880/4.2=1 QD1 LEU 41 - HB2 ASP 47 lone 9 97 - 10 - 6870/4.0=6 QD1 LEU 117 - HB2 ASP 47 lone 8 96 - 8 - 6870/4.0=2 QD2 LEU 27 - HB2 ASP 47 lone 7 100 - 7 - 6870/4.0=1 HB2 GLN 42 - HB2 ASP 47 lone 6 100 - 6 - 6870/4.0=3, 6880/4.2=1 QD1 LEU 27 - HB2 ASP 47 lone 6 100 - 6 - 6870/4.0=2 QD1 LEU 55 - HB2 ASP 47 lone 6 93 - 6 - 6870/4.0=1, 4.6/1631=1 QD1 ILE 63 - HB2 ASP 47 lone 5 83 - 6 - 6870/4.0=1, 3.2/6872=1 QG2 ILE 22 - HB2 ASP 47 lone 4 100 - 4 - 6870/4.0=1 QD1 LEU 126 - HB2 ASP 47 lone 3 95 - 3 - Peak 6874 from cnoeabs.peaks (3.61, 4.58, 53.17 ppm; 3.63 A): 2 out of 14 assignments used, quality = 0.96: HD2 PRO 70 + HA GLU 69 OK 93 97 - 96 - 3.8=90, 1.8/7266=22...(14) HD2 PRO 70 + HA ASP 47 OK 47 100 - 47 - 7265=13, ~8328=11...(10) HA LYS 46 - HA ASP 47 OK 26 71 - 37 - ~1455=7, ~197=7, ~5584=6...(8) HA VAL 115 - HA GLU 69 OK 16 96 - 17 - 3801/3.8=4, 7244/3.0=3...(8) HA2 GLY 39 - HA GLU 69 lone 9 94 - 10 - 3801/3.8=3, 7244/3.0=2 HA ILE 80 - HA GLU 69 poor 9 67 - 13 - 4.1/8686=2, 4.0/3763=2...(5) HA LYS 46 - HA GLU 69 poor 8 65 - 12 - 3.6/3009=5, 2.9/191=2 HA GLU 75 - HA GLU 69 poor 7 60 - 12 - 3801/3.8=3, 3808/4.8=2...(4) HA VAL 115 - HA ASP 47 lone 7 100 - 7 - ~6870=2, 198/3.0=1, ~6873=1 HA LEU 111 - HA GLU 69 lone 6 96 - 6 - 7244/3.0=1, 3801/3.8=1 HA ILE 80 - HA ASP 47 lone 5 73 - 6 - 198/3.0=1, 4.1/8686=1 HA GLU 75 - HA ASP 47 lone 2 65 - 3 - HA LEU 111 - HA ASP 47 lone 2 100 - 2 - HA2 GLY 39 - HA ASP 47 lone 2 99 - 2 - Peak 6875 from cnoeabs.peaks (3.44, 4.58, 53.17 ppm; 3.66 A): 4 out of 6 assignments used, quality = 0.87: HD3 PRO 70 + HA GLU 69 OK 72 74 - 97 - 3.8=92, 1.8/7265=21...(14) HD3 PRO 70 + HA ASP 47 OK 37 81 - 46 - ~8328=11, 7266=10...(10) HB2 SER 44 + HA GLU 69 OK 15 82 - 18 - 7251/3.0=3, 7252/3.0=3...(8) HB2 SER 44 + HA ASP 47 OK 14 89 - 16 - 2869/3.0=3, 4.6/965=3...(6) HD2 PRO 37 - HA ASP 47 lone 1 97 - 1 - HD2 PRO 37 - HA GLU 69 lone 1 92 - 1 - Peak 6882 from cnoeabs.peaks (2.85, 3.58, 48.06 ppm; 4.51 A): 4 out of 9 assignments used, quality = 0.89: HB2 ASN 79 + HA2 GLY 48 OK 65 97 - 67 - ~7374=17, ~6887=16...(12) HB3 TYR 67 + HA2 GLY 48 OK 39 93 - 42 - 6888/1.8=8, 2.6/4686=8...(10) HB2 TYR 67 + HA2 GLY 48 OK 39 93 - 42 - 6888/1.8=8, 2.6/4686=8...(10) HG CYS 52 + HA2 GLY 48 OK 17 100 - 17 - 6898/3.6=8, 6888/1.8=3...(5) HE3 LYS 119 - HA2 GLY 48 lone 9 98 - 9 - 6888/1.8=2, 6876/3.0=1...(5) HE2 LYS 119 - HA2 GLY 48 lone 9 97 - 9 - 6888/1.8=2, 6876/3.0=1...(5) HB2 ASN 99 - HA2 GLY 48 lone 7 96 - 7 - 6888/1.8=2, 6876/3.0=1 HB3 PHE 107 - HA2 GLY 48 lone 7 98 - 7 - 6898/3.6=2, 6888/1.8=1 HB2 ASP 36 - HA2 GLY 48 lone 3 96 - 3 - Peak 6883 from cnoeabs.peaks (2.15, 3.58, 48.06 ppm; 5.00 A): 3 out of 5 assignments used, quality = 0.83: HG12 ILE 80 + HA2 GLY 48 OK 73 97 - 76 - 6889/1.8=18, 1.8/6885=15...(14) HG2 GLU 69 + HA2 GLY 48 OK 31 100 - 31 - 7250=6, 3777/3.6=6...(8) HB VAL 115 + HA2 GLY 48 OK 12 92 - 13 - 6889/1.8=3, ~8423=2...(4) HB3 GLU 15 - HA2 GLY 48 poor 9 92 - 10 - 3.0/6893=3, 6889/1.8=2, ~6887=2 HB2 PRO 30 - HA2 GLY 48 lone 4 90 - 5 - Peak 6884 from cnoeabs.peaks (1.26, 3.58, 48.06 ppm; 4.76 A): 3 out of 8 assignments used, quality = 0.96: QG2 ILE 80 + HA2 GLY 48 OK 76 100 - 77 - 3.2/6883=17, ~8423=13...(18) QD1 ILE 80 + HA2 GLY 48 OK 74 99 - 75 - 2.1/6883=20, 7395/3.0=14...(13) QG2 THR 19 + HA2 GLY 48 OK 33 100 - 33 - 3.2/6893=7, 2.1/3023=7...(8) HG13 ILE 124 - HA2 GLY 48 OK 31 76 - 40 - 2.1/6885=7, 5362/3.0=6...(10) HG LEU 54 - HA2 GLY 48 poor 8 83 - 10 - 3.0/6055=2, 6890/1.8=1...(6) QG2 THR 116 - HA2 GLY 48 lone 8 99 - 8 - 6890/1.8=2, 6878/3.0=1 HG3 LYS 32 - HA2 GLY 48 lone 5 100 - 5 - HG LEU 77 - HA2 GLY 48 lone 3 60 - 5 - 3.7/6893=2 Peak 6885 from cnoeabs.peaks (0.88, 3.58, 48.06 ppm; 4.94 A): 3 out of 8 assignments used, quality = 0.94: HG13 ILE 80 + HA2 GLY 48 OK 76 99 - 77 - 1.8/6883=22, ~6889=14...(13) QG1 VAL 49 + HA2 GLY 48 OK 61 99 - 61 - 3037/3.6=25, 8495=19...(10) QD1 ILE 124 + HA2 GLY 48 OK 41 97 - 43 - 5369/3.0=9, 6892/1.8=7...(10) QD2 LEU 41 - HA2 GLY 48 OK 12 95 - 12 - 991/3.6=3, 6892/1.8=2 QD2 LEU 59 - HA2 GLY 48 lone 8 99 - 8 - 6892/1.8=1, 991/3.6=1, 8644=1 QD2 LEU 126 - HA2 GLY 48 lone 8 100 - 8 - 991/3.6=3, 6892/1.8=1 QD2 LEU 114 - HA2 GLY 48 lone 5 73 - 7 - QD2 LEU 55 - HA2 GLY 48 lone 3 63 - 4 - 4.6/1631=1 Peak 6886 from cnoeabs.peaks (0.61, 3.58, 48.06 ppm; 4.76 A): 3 out of 3 assignments used, quality = 0.82: QG1 VAL 26 + HA2 GLY 48 OK 46 100 - 46 - 6891/1.8=14, ~6891=9...(10) QG2 VAL 26 + HA2 GLY 48 OK 43 95 - 45 - 6891/1.8=13, ~6891=10...(10) QD1 LEU 51 + HA2 GLY 48 OK 42 97 - 44 - 6891/1.8=12, 6935=12...(9) Peak 6887 from cnoeabs.peaks (3.87, 4.25, 48.06 ppm; 4.45 A): 2 out of 12 assignments used, quality = 0.70: HB3 ASN 79 + HA3 GLY 48 OK 63 93 - 68 - 7374=26, 1.8/6888=14...(12) HA THR 19 + HA3 GLY 48 OK 19 65 - 29 - 6893/1.8=8, 3.2/2016=4...(9) HA GLU 15 - HA3 GLY 48 lone 7 83 - 8 - 6893/1.8=3, 3.0/6889=1, ~6883=1 HB THR 95 - HA3 GLY 48 lone 6 83 - 7 - 4.1/6895=3 HA ARG 53 - HA3 GLY 48 lone 4 87 - 5 - HA THR 33 - HA3 GLY 48 lone 3 98 - 3 - 6893/1.8=1 HB THR 33 - HA3 GLY 48 lone 3 99 - 3 - HB2 SER 13 - HA3 GLY 48 lone 2 100 - 2 - HA3 GLY 104 - HA3 GLY 48 lone 2 93 - 2 - HB2 SER 35 - HA3 GLY 48 lone 2 95 - 2 - HB3 SER 112 - HA3 GLY 48 lone 2 81 - 2 - HB2 SER 112 - HA3 GLY 48 lone 1 76 - 2 - Peak 6888 from cnoeabs.peaks (2.85, 4.25, 48.06 ppm; 4.39 A): 4 out of 10 assignments used, quality = 0.89: HB2 ASN 79 + HA3 GLY 48 OK 67 100 - 67 - 1.8/7374=22, 6882/1.8=12...(13) HB2 TYR 67 + HA3 GLY 48 OK 39 98 - 40 - 6882/1.8=7, 7375=7...(10) HB3 TYR 67 + HA3 GLY 48 OK 39 98 - 40 - 6882/1.8=7, 7375=7...(10) HG CYS 52 + HA3 GLY 48 OK 15 100 - 15 - 6898/3.6=7, 6882/1.8=3 HE3 LYS 119 - HA3 GLY 48 lone 8 93 - 9 - 6882/1.8=2, 6876/3.0=1, ~6882=1 HE2 LYS 119 - HA3 GLY 48 lone 8 92 - 9 - 6882/1.8=2, 6876/3.0=1, ~6882=1 HB2 ASN 99 - HA3 GLY 48 lone 7 99 - 7 - 6882/1.8=1, 6876/3.0=1 HB3 PHE 107 - HA3 GLY 48 lone 6 100 - 6 - 6898/3.6=2, 6882/1.8=1 HB2 ASP 36 - HA3 GLY 48 lone 3 99 - 3 - HB2 CYS 76 - HA3 GLY 48 lone 2 60 - 3 - Peak 6889 from cnoeabs.peaks (2.16, 4.25, 48.06 ppm; 5.25 A): 5 out of 6 assignments used, quality = 0.94: HG12 ILE 80 + HA3 GLY 48 OK 84 100 - 84 - 6883/1.8=24, 4.0/8423=19...(14) HB VAL 49 + HA3 GLY 48 OK 32 60 - 53 - 990/3.6=15, ~8495=13...(8) HG2 GLU 69 + HA3 GLY 48 OK 26 98 - 27 - 6883/1.8=10, 3777/3.6=6...(5) HB VAL 115 + HA3 GLY 48 OK 14 81 - 17 - 6883/1.8=4, 3.0/8423=3...(6) HB3 GLU 15 + HA3 GLY 48 OK 10 81 - 13 - 6883/1.8=3, 3.0/6887=2, ~6893=2 HB2 PRO 30 - HA3 GLY 48 lone 4 78 - 5 - 6883/1.8=1 Peak 6890 from cnoeabs.peaks (1.27, 4.25, 48.06 ppm; 5.08 A): 2 out of 7 assignments used, quality = 0.97: QG2 ILE 80 + HA3 GLY 48 OK 84 100 - 84 - 3.2/8423=21, 3.2/6889=15...(17) QD1 ILE 80 + HA3 GLY 48 OK 83 100 - 83 - 2.1/6889=18, 4.1/8423=18...(13) QG2 THR 19 - HA3 GLY 48 OK 39 97 - 40 - 3.2/6887=6, ~6893=6...(10) HG13 ILE 124 - HA3 GLY 48 OK 27 60 - 45 - 2.1/6892=7, ~5369=7...(10) QG2 THR 116 - HA3 GLY 48 OK 11 100 - 11 - 6878/3.0=2, 6884/1.8=2 HG LEU 54 - HA3 GLY 48 OK 10 93 - 11 - ~6055=2, 6884/1.8=2...(5) HG3 LYS 32 - HA3 GLY 48 lone 6 99 - 6 - Peak 6891 from cnoeabs.peaks (0.61, 4.25, 48.06 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.85: QG1 VAL 26 + HA3 GLY 48 OK 50 100 - 50 - 6886/1.8=14, ~6886=9...(13) QG2 VAL 26 + HA3 GLY 48 OK 46 95 - 48 - 6886/1.8=13, ~6886=10...(12) QD1 LEU 51 + HA3 GLY 48 OK 45 97 - 46 - 6935/1.8=15, 6881/3.0=8...(10) Peak 6892 from cnoeabs.peaks (0.88, 4.25, 48.06 ppm; 5.18 A): 3 out of 9 assignments used, quality = 0.96: HG13 ILE 80 + HA3 GLY 48 OK 81 96 - 85 - 1.8/6889=20, 4.0/8423=19...(14) QG1 VAL 49 + HA3 GLY 48 OK 59 100 - 59 - 3037/3.6=27, 8495/1.8=17...(8) QD1 ILE 124 + HA3 GLY 48 OK 46 99 - 46 - 5369/3.0=10, 6885/1.8=8...(10) QD2 LEU 41 - HA3 GLY 48 OK 16 99 - 16 - 991/3.6=3, 6885/1.8=2...(5) QD2 LEU 59 - HA3 GLY 48 lone 9 100 - 9 - 6885/1.8=2, 4.6/272=1, 991/3.6=1 QD2 LEU 126 - HA3 GLY 48 lone 8 98 - 8 - 991/3.6=3, 6885/1.8=2 QD2 LEU 114 - HA3 GLY 48 lone 6 60 - 9 - 4067/8423=1, 1160/6895=1 QD1 LEU 117 - HA3 GLY 48 lone 4 63 - 6 - 991/3.6=3, 6880/3.0=1 QD1 LEU 126 - HA3 GLY 48 lone 4 65 - 6 - 991/3.6=1, ~6885=1 Peak 6893 from cnoeabs.peaks (3.86, 3.58, 48.06 ppm; 4.80 A): 2 out of 12 assignments used, quality = 0.62: HB3 ASN 79 + HA2 GLY 48 OK 47 71 - 67 - 6887/1.8=22, 1.8/6882=14...(12) HA THR 19 + HA2 GLY 48 OK 28 90 - 31 - 6887/1.8=7, 3.0/3023=6...(10) HA GLU 15 - HA2 GLY 48 lone 10 98 - 10 - 6887/1.8=2, 3.0/6883=2, ~6889=1 HA LEU 77 - HA2 GLY 48 lone 7 81 - 9 - 3.6/1657=3, 8340/6883=2 HA THR 116 - HA2 GLY 48 lone 5 60 - 8 - 3.2/6884=1, 2008/1.8=1 HA THR 33 - HA2 GLY 48 lone 4 100 - 4 - 6887/1.8=1 HB THR 33 - HA2 GLY 48 lone 4 100 - 4 - 6887/1.8=1 HA ARG 53 - HA2 GLY 48 lone 4 60 - 6 - 6887/1.8=2, 3.6/1625=1 HA LYS 119 - HA2 GLY 48 lone 3 68 - 4 - HA3 GLY 104 - HA2 GLY 48 lone 2 100 - 2 - HB2 SER 13 - HA2 GLY 48 lone 2 96 - 3 - HB2 SER 35 - HA2 GLY 48 lone 2 100 - 2 - Peak 6895 from cnoeabs.peaks (8.40, 4.25, 48.06 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.72: H ILE 80 + HA3 GLY 48 OK 51 71 - 73 - 3.0/8423=21, 8278/3.0=19...(9) H LEU 51 + HA3 GLY 48 OK 33 76 - 43 - 1609/3.6=16, 4.8/6891=8...(7) H THR 95 + HA3 GLY 48 OK 15 100 - 15 - 8278/3.0=4, 1609/3.6=3...(5) Peak 6897 from cnoeabs.peaks (2.85, 3.26, 68.05 ppm; 4.51 A): 5 out of 10 assignments used, quality = 0.93: HG CYS 52 + HA VAL 49 OK 70 100 - 70 - 3.4/6041=28, 3.4/6039=26...(10) HB2 ASN 79 + HA VAL 49 OK 56 100 - 57 - 3.5/6911=13, ~6910=9...(19) HB3 PHE 107 + HA VAL 49 OK 28 100 - 28 - 1.8/6040=6, 5860/3.6=4...(11) HB3 TYR 67 + HA VAL 49 OK 14 99 - 14 - 7183/7185=3, 7190/7188=2 HB2 TYR 67 + HA VAL 49 OK 14 99 - 14 - 7183/7185=3, 7190/7188=2 HB2 ASN 99 - HA VAL 49 lone 8 99 - 8 - 5827/3.0=1 HE3 LYS 119 - HA VAL 49 lone 6 92 - 7 - 6946/1616=1, 6898/3.0=1, ~6898=1 HE2 LYS 119 - HA VAL 49 lone 6 90 - 7 - 6946/1616=1, 6898/3.0=1, ~6898=1 HB2 CYS 76 - HA VAL 49 lone 6 63 - 9 - 4.0/6037=3, 1.8/6040=2 HB2 ASP 36 - HA VAL 49 lone 4 99 - 4 - Peak 6899 from cnoeabs.peaks (4.22, 3.26, 68.05 ppm; 4.92 A): 3 out of 11 assignments used, quality = 0.99: HA CYS 52 + HA VAL 49 OK 91 100 - 91 - 3.0/1616=39, 3.0/6041=35...(18) HA VAL 66 + HA VAL 49 OK 79 100 - 79 - 3.2/7185=38, 3.2/7188=29...(17) HA VAL 26 + HA VAL 49 OK 52 100 - 52 - 3.0/3033=9, 5439/3.6=7...(23) HA3 GLY 48 - HA VAL 49 OK 34 63 - 54 - ~211=17, ~1457=14...(10) HA LEU 126 - HA VAL 49 OK 30 97 - 31 - 5388/3.2=5, 4.0/3030=4...(10) HA SER 13 - HA VAL 49 OK 18 100 - 18 - 3.6/5597=6, 5439/3.6=3...(5) HA ILE 22 - HA VAL 49 OK 17 100 - 17 - 3.2/3031=2, 3671/7185=2...(6) HA THR 17 - HA VAL 49 OK 12 92 - 13 - 6343/1616=2, 5966/3.0=1 HB THR 19 - HA VAL 49 lone 6 60 - 9 - ~5463=2, 5462/3.0=2...(4) HA ALA 89 - HA VAL 49 lone 3 76 - 4 - HA3 GLY 61 - HA VAL 49 lone 1 68 - 2 - Peak 6900 from cnoeabs.peaks (0.76, 3.26, 68.05 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.88: QG2 VAL 66 + HA VAL 49 OK 82 97 - 84 - 2.1/7185=37, 7188=34...(18) QG2 ILE 63 + HA VAL 49 OK 32 100 - 33 - 7142/6039=7, 6944/1616=4...(9) QD2 LEU 93 - HA VAL 49 lone 8 99 - 8 - 6962/1621=2, 6950/6039=1 HG LEU 111 - HA VAL 49 lone 7 96 - 7 - QD1 LEU 91 - HA VAL 49 lone 4 85 - 5 - QD1 LEU 84 - HA VAL 49 lone 4 92 - 4 - Peak 6901 from cnoeabs.peaks (0.68, 3.26, 68.05 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.85: QG1 VAL 66 + HA VAL 49 OK 82 96 - 86 - 7185=48, 2.1/7188=27...(18) QD2 LEU 54 + HA VAL 49 OK 15 76 - 19 - 8494/3.2=5, ~6985=3...(5) HG3 GLU 75 - HA VAL 49 lone 8 85 - 10 - 8494/3.2=3, 3678/7188=1, ~6903=1 QD1 LEU 77 - HA VAL 49 lone 6 100 - 6 - 8494/3.2=2 QD2 LEU 24 - HA VAL 49 lone 3 81 - 4 - Peak 6902 from cnoeabs.peaks (3.10, 0.88, 21.00 ppm; 4.02 A): 3 out of 8 assignments used, quality = 0.90: HB3 CYS 52 + QG1 VAL 49 OK 64 97 - 66 - 6041/3.2=22, ~6039=15...(14) HD3 ARG 53 + QG1 VAL 49 OK 63 97 - 65 - 6971=16, 1.8/6968=11...(13) HB2 PHE 107 + QG1 VAL 49 OK 22 99 - 22 - 6040/3.2=4, 5859/4.3=3...(9) HD3 ARG 57 - QG1 VAL 49 lone 6 85 - 7 - 6040/3.2=1, 3.5/6903=1 HB3 CYS 76 - QG1 VAL 49 lone 5 98 - 5 - 6040/3.2=1 HD3 ARG 81 - QG1 VAL 49 lone 4 71 - 6 - HB3 ASP 100 - QG1 VAL 49 lone 3 97 - 3 - HB3 HIS 10 - QG1 VAL 49 lone 3 83 - 3 - Peak 6903 from cnoeabs.peaks (1.82, 0.88, 21.00 ppm; 3.88 A): 5 out of 12 assignments used, quality = 0.83: HG3 ARG 53 + QG1 VAL 49 OK 55 100 - 55 - 3.0/6902=10, 3.0/6968=8...(13) HG LEU 41 + QG1 VAL 49 OK 37 98 - 37 - 2803=6, 2.1/3041=4...(14) HG13 ILE 63 + QG1 VAL 49 OK 21 100 - 21 - 1.8/6904=3, ~6900=2...(6) HB2 GLU 69 + QG1 VAL 49 OK 14 97 - 15 - 3.6/3037=7, 4.8/8495=4 HG2 GLU 75 + QG1 VAL 49 OK 11 97 - 11 - 1.8/8494=4, 3.6/8495=2, ~6901=1 HB2 PRO 60 - QG1 VAL 49 poor 9 83 - 11 - 3.0/7091=2, 2.3/8492=2 HG2 GLU 73 - QG1 VAL 49 lone 8 92 - 8 - 2.9/3039=2 HG3 GLU 73 - QG1 VAL 49 lone 8 90 - 8 - 2.9/3039=2 HB3 ARG 57 - QG1 VAL 49 lone 7 97 - 7 - HG12 ILE 22 - QG1 VAL 49 lone 6 73 - 8 - 3.9/6905=1, 3.2/3041=1 HB3 ARG 92 - QG1 VAL 49 lone 5 89 - 6 - HB3 GLN 105 - QG1 VAL 49 lone 3 100 - 3 - Peak 6904 from cnoeabs.peaks (1.60, 0.88, 21.00 ppm; 4.35 A): 6 out of 17 assignments used, quality = 0.94: HG2 ARG 53 + QG1 VAL 49 OK 62 97 - 64 - 1.8/6903=13, 3.0/6902=13...(14) HB2 LEU 126 + QG1 VAL 49 OK 38 100 - 38 - 3.0/6905=5, 3.1/5416=5...(18) HB3 LEU 126 + QG1 VAL 49 OK 38 100 - 38 - 3.0/6905=5, 3.1/5416=5...(18) HG LEU 126 + QG1 VAL 49 OK 35 100 - 35 - 2.1/5416=5, 5409=5...(14) HG12 ILE 63 + QG1 VAL 49 OK 24 100 - 24 - 1.8/6903=5, ~6900=3...(7) HB2 LEU 59 + QG1 VAL 49 OK 11 73 - 15 - 4.8/7091=2, 1.8/3409=2...(6) HG2 ARG 57 - QG1 VAL 49 lone 7 83 - 8 - 3.0/6903=1, 2.9/6902=1 HG LEU 101 - QG1 VAL 49 lone 6 85 - 7 - ~8444=1 HG3 ARG 81 - QG1 VAL 49 lone 4 83 - 5 - HG2 ARG 81 - QG1 VAL 49 lone 4 83 - 5 - HG2 PRO 30 - QG1 VAL 49 lone 4 95 - 5 - HD3 LYS 119 - QG1 VAL 49 lone 3 100 - 3 - HD2 LYS 119 - QG1 VAL 49 lone 3 100 - 3 - HD2 LYS 31 - QG1 VAL 49 lone 2 81 - 3 - HD3 LYS 31 - QG1 VAL 49 lone 2 81 - 3 - HD2 LYS 32 - QG1 VAL 49 lone 2 97 - 2 - HD3 LYS 32 - QG1 VAL 49 lone 2 97 - 2 - Peak 6905 from cnoeabs.peaks (4.19, 0.88, 21.00 ppm; 3.46 A): 5 out of 11 assignments used, quality = 0.81: HA VAL 66 + QG1 VAL 49 OK 37 76 - 49 - 3.2/8494=15, ~7185=8...(12) HA PRO 68 + QG1 VAL 49 OK 35 100 - 35 - 2.3/7226=7, 3.6/3037=6...(10) HA CYS 52 + QG1 VAL 49 OK 31 57 - 54 - 3.0/6902=8, ~1616=8...(15) HA LEU 126 + QG1 VAL 49 OK 22 89 - 25 - 5388=5, 3.0/6904=3...(9) HA VAL 26 + QG1 VAL 49 OK 16 60 - 26 - 3.0/3039=5, 2244/2.1=2...(10) HA ILE 22 - QG1 VAL 49 lone 7 73 - 10 - 4.9/8279=3 HA SER 13 - QG1 VAL 49 lone 6 73 - 9 - 3.6/5599=3 HA GLU 56 - QG1 VAL 49 lone 5 76 - 7 - HA ARG 92 - QG1 VAL 49 lone 5 99 - 5 - HA SER 78 - QG1 VAL 49 lone 2 73 - 3 - 3.6/7372=1 HA3 GLY 61 - QG1 VAL 49 lone 1 100 - 1 - Peak 6906 from cnoeabs.peaks (3.46, 0.92, 23.68 ppm; 3.42 A): 4 out of 9 assignments used, quality = 0.79: HB2 SER 44 + QG2 VAL 49 OK 49 100 - 49 - 6834/3.2=14, 6829=12...(7) HD3 PRO 70 + QG2 VAL 49 OK 39 100 - 39 - 7263=8, 1.8/7262=6...(11) HD3 PRO 70 + QD1 LEU 117 OK 22 80 - 28 - 7263=5, 1.8/7262=4...(13) HD3 PRO 70 + QD1 LEU 55 OK 16 90 - 18 - 7263=3, 7278/4.6=3...(8) HA VAL 18 - QG2 VAL 49 poor 10 85 - 11 - 6358=2, 3.0/8280=1...(4) HB2 SER 44 - QD1 LEU 55 lone 9 89 - 10 - 6829=2, 1.8/6831=1, 3.0/6827=1 HA VAL 18 - QD1 LEU 55 lone 5 71 - 7 - HB2 SER 44 - QD1 LEU 117 lone 5 79 - 6 - 6829=1 HA VAL 18 - QD1 LEU 117 lone 5 61 - 7 - 6358=1 Peak 6907 from cnoeabs.peaks (3.60, 0.92, 23.68 ppm; 4.14 A): 6 out of 18 assignments used, quality = 0.90: HD2 PRO 70 + QG2 VAL 49 OK 51 97 - 53 - 1.8/6906=11, 7262=9...(12) HA2 GLY 48 + QG2 VAL 49 OK 35 87 - 41 - 3.6/992=17, 8495/2.1=9...(8) HA VAL 115 + QD1 LEU 55 OK 30 75 - 40 - 5102=4, 3.0/5107=4...(19) HD2 PRO 70 + QD1 LEU 117 OK 29 73 - 40 - 1.8/6906=6, 7262=6...(16) HD2 PRO 70 + QD1 LEU 55 OK 22 84 - 26 - 1.8/6906=5, 7262=4...(8) HA2 GLY 39 + QG2 VAL 49 OK 16 100 - 16 - ~8406=3, 8495/2.1=3...(6) HA VAL 115 - QD1 LEU 117 OK 16 65 - 25 - 1778/4.6=4, 5102=3...(8) HA LEU 111 - QD1 LEU 55 OK 14 87 - 16 - 4.8/7919=3, 8418/3.1=2...(4) HA LEU 111 - QD1 LEU 117 OK 13 77 - 16 - 1778/4.6=3, 3.0/7914=2...(4) HA GLU 75 - QG2 VAL 49 OK 11 92 - 12 - 8495/2.1=3, 2.9/6912=2 HA GLU 75 - QD1 LEU 117 OK 11 68 - 16 - 2.9/6912=2, 3950/2.1=2...(6) HA2 GLY 39 - QD1 LEU 55 OK 10 89 - 11 - 6012=2, 2.9/3247=2, ~3254=1 HA VAL 115 - QG2 VAL 49 poor 9 89 - 10 - 5102=1 HA LEU 111 - QG2 VAL 49 lone 8 99 - 8 - HA2 GLY 39 - QD1 LEU 117 lone 5 79 - 7 - 6012=1 HA2 GLY 48 - QD1 LEU 55 lone 4 73 - 6 - 3.6/992=3 HA2 GLY 48 - QD1 LEU 117 lone 4 63 - 7 - 3.6/992=4 HA GLU 75 - QD1 LEU 55 lone 4 78 - 5 - Peak 6908 from cnoeabs.peaks (4.18, 0.92, 23.68 ppm; 4.01 A): 11 out of 24 assignments used, quality = 0.94: HA PRO 68 + QG2 VAL 49 OK 40 100 - 40 - 6905/2.1=9, 3.6/7240=6...(11) HA VAL 66 + QG2 VAL 49 OK 38 60 - 63 - ~7185=11, ~8494=11...(14) HA PRO 68 + QD1 LEU 55 OK 34 90 - 38 - 3728/2.1=5, ~3742=4...(18) HA GLU 56 + QD1 LEU 55 OK 25 75 - 33 - 2.9/7018=8, 7029=5...(9) HA LEU 126 + QG2 VAL 49 OK 20 76 - 27 - 6905/2.1=5, 5387=3...(11) HA ARG 92 + QD1 LEU 55 OK 18 90 - 20 - 3.6/7003=6, 4416/2.1=3...(5) HA PRO 68 + QD1 LEU 117 OK 16 80 - 20 - 2.3/7226=4, 2.3/7228=3...(7) HA GLU 56 + QD1 LEU 117 OK 15 65 - 23 - 8300/4.6=4, 7029=3...(9) HA VAL 66 + QD1 LEU 117 OK 13 41 - 33 - 3.2/7192=5, 3.2/7178=4...(15) HA GLU 28 + QD1 LEU 55 OK 11 51 - 21 - 3.0/6564=3, 6562=2...(8) HA LEU 126 + QD1 LEU 55 OK 10 62 - 16 - ~8128=2, 2.9/7019=2...(7) HA GLU 56 - QG2 VAL 49 lone 8 89 - 10 - 2.9/255=1, 6905/2.1=1, 7029=1 HA VAL 66 - QD1 LEU 55 poor 8 48 - 17 - 3.6/7208=2, ~7233=2...(8) HA GLU 28 - QD1 LEU 117 poor 8 43 - 18 - ~6543=4, 3.0/104=2...(5) HA LEU 126 - QD1 LEU 117 poor 6 53 - 12 - 2.9/1424=2, 5387=2...(6) HA SER 78 - QD1 LEU 117 lone 5 63 - 9 - ~8015=2, ~8016=2...(4) HA SER 78 - QD1 LEU 55 lone 5 73 - 7 - ~369=2, ~5729=1 HA ARG 92 - QG2 VAL 49 lone 5 100 - 5 - 6905/2.1=1 HA ARG 92 - QD1 LEU 117 lone 5 80 - 6 - 3.6/7003=3 HA3 GLY 61 - QD1 LEU 55 lone 4 87 - 4 - 3.6/7095=1, 1032/4.8=1 HA SER 78 - QG2 VAL 49 lone 4 87 - 4 - 3.6/7372=2 HA GLU 28 - QG2 VAL 49 lone 3 63 - 5 - HA3 GLY 61 - QG2 VAL 49 lone 1 99 - 1 - HA3 GLY 61 - QD1 LEU 117 lone 1 76 - 1 - Peak 6909 from cnoeabs.peaks (2.04, 0.92, 23.68 ppm; 3.45 A): 12 out of 30 assignments used, quality = 0.91: HG3 PRO 70 + QG2 VAL 49 OK 38 100 - 38 - 7264/2.1=9, 2.3/6906=8...(9) HG3 PRO 70 + QD1 LEU 117 OK 23 79 - 29 - 2.3/6906=4, 2.3/7262=4...(11) HB2 GLU 56 + QD1 LEU 55 OK 20 89 - 22 - 3267/4.8=6, 3.0/7029=3...(8) HG3 PRO 37 + QG2 VAL 49 OK 19 99 - 19 - 1.8/3044=3, ~3039=2...(8) HB ILE 63 + QD1 LEU 55 OK 16 67 - 24 - 2.1/3518=3, 3.0/3532=2...(11) HB3 ARG 53 + QG2 VAL 49 OK 15 78 - 20 - ~6903=4, ~8432=3...(8) HG3 PRO 37 + QD1 LEU 117 OK 15 77 - 20 - 1.8/3044=2, ~5168=1...(5) HG3 PRO 70 + QD1 LEU 55 OK 15 90 - 16 - 2.3/6906=3, 2.3/7262=2...(7) HB2 GLU 56 + QD1 LEU 117 OK 15 79 - 18 - 3.0/7029=2, 4121/3.8=1...(6) HG3 PRO 60 + QD1 LEU 55 OK 12 89 - 14 - 1033/4.8=2, ~7089=1, 3476/3.1=1 HB3 ARG 53 + QD1 LEU 55 OK 12 65 - 19 - 1033/4.8=2, ~3257=2...(8) HB ILE 63 + QG2 VAL 49 OK 11 81 - 14 - ~6900=3, 2.1/3518=2...(4) HG3 PRO 37 - QD1 LEU 55 poor 9 87 - 11 - 1033/4.8=1 HG3 PRO 60 - QG2 VAL 49 lone 8 100 - 8 - ~7091=1, ~8492=1, ~7089=1 HB3 ARG 81 - QD1 LEU 117 poor 8 75 - 10 - ~5166=2, ~5152=1...(5) HB3 GLU 38 - QD1 LEU 55 lone 7 75 - 10 - 3.0/6708=1 HB2 GLU 56 - QG2 VAL 49 lone 6 100 - 6 - HB3 GLU 38 - QD1 LEU 117 lone 6 65 - 9 - 3.0/6708=1, 3.0/6712=1 HB3 ARG 81 - QD1 LEU 55 lone 6 86 - 7 - 3267/4.8=1 HB3 GLU 38 - QG2 VAL 49 lone 4 89 - 5 - HG3 PRO 60 - QD1 LEU 117 lone 4 79 - 5 - 2.3/7091=1 HB3 ARG 81 - QG2 VAL 49 lone 4 98 - 4 - HB3 ARG 53 - QD1 LEU 117 lone 3 55 - 6 - HB2 ARG 57 - QD1 LEU 55 lone 3 48 - 6 - 3.7/7018=2, 4.2/7019=2 HB2 ARG 57 - QG2 VAL 49 lone 3 60 - 4 - HB ILE 63 - QD1 LEU 117 lone 2 57 - 3 - HG2 GLU 64 - QD1 LEU 55 lone 1 48 - 3 - HB2 ARG 57 - QD1 LEU 117 lone 1 41 - 3 - HG2 GLU 64 - QG2 VAL 49 lone 1 60 - 1 - HG2 GLU 64 - QD1 LEU 117 lone 1 41 - 2 - Peak 6911 from cnoeabs.peaks (8.11, 3.26, 68.05 ppm; 5.07 A): 3 out of 6 assignments used, quality = 0.86: HD22 ASN 79 + HA VAL 49 OK 73 100 - 73 - ~6910=18, ~8145=15...(14) H LEU 55 + HA VAL 49 OK 32 98 - 33 - 1622/1621=6, 4.6/3043=5...(10) H GLY 39 + HA VAL 49 OK 23 90 - 25 - 8406/3.2=5, 8144/3.0=3...(11) H THR 33 - HA VAL 49 lone 8 97 - 8 - 8406/3.2=1, 7200/7185=1 H LEU 24 - HA VAL 49 lone 5 73 - 7 - 8406/3.2=2 H GLN 105 - HA VAL 49 lone 3 73 - 4 - Peak 6912 from cnoeabs.peaks (7.40, 0.92, 23.68 ppm; 3.85 A): 3 out of 21 assignments used, quality = 0.63: HD21 ASN 79 + QG2 VAL 49 OK 46 98 - 47 - 7381=14, 6910/4.0=11...(10) HD21 ASN 79 + QD1 LEU 55 OK 21 86 - 24 - 7381=6, 1.7/3247=4...(7) H LYS 32 + QD1 LEU 55 OK 13 78 - 17 - 121/2.1=3, 120/3.1=3...(7) H GLU 75 - QG2 VAL 49 lone 10 100 - 10 - 6910/4.0=2, ~8495=2, 2.9/6907=1 H GLU 75 - QD1 LEU 117 poor 8 80 - 11 - 1130/2.1=2, 7305/3.1=2 HD21 ASN 79 - QD1 LEU 117 poor 8 75 - 11 - 7381=3, 1.7/7383=1 H PHE 96 - QG2 VAL 49 lone 4 100 - 4 - 6910/4.0=1 H LYS 32 - QG2 VAL 49 lone 3 92 - 4 - H LYS 32 - QD1 LEU 117 lone 3 68 - 5 - H PHE 96 - QD1 LEU 55 lone 3 89 - 4 - H GLU 75 - QD1 LEU 55 lone 3 90 - 3 - H SER 72 - QG2 VAL 49 lone 2 78 - 3 - H SER 72 - QD1 LEU 55 lone 2 65 - 3 - H PHE 96 - QD1 LEU 117 lone 1 79 - 2 - H SER 72 - QD1 LEU 117 lone 1 55 - 3 - HE21 GLN 16 - QD1 LEU 55 lone 1 58 - 2 - ~6326=1 HE21 GLN 105 - QG2 VAL 49 lone 1 57 - 2 - HE21 GLN 16 - QG2 VAL 49 lone 1 71 - 1 - HE21 GLN 105 - QD1 LEU 55 lone 1 46 - 1 - HE21 GLN 105 - QD1 LEU 117 lone 0 39 - 1 - HE21 GLN 16 - QD1 LEU 117 lone 0 49 - 1 - Peak 6913 from cnoeabs.peaks (0.89, 3.39, 66.83 ppm; 4.31 A): 3 out of 10 assignments used, quality = 0.93: QG1 VAL 49 + HA VAL 50 OK 79 97 - 82 - 8279=33, 5599/3.0=21...(19) QG2 VAL 49 + HA VAL 50 OK 48 63 - 76 - 2.1/8279=26, ~5599=14...(14) QD1 LEU 117 + HA VAL 50 OK 33 89 - 37 - 2.1/3051=8, 2.1/6045=5...(12) HG13 ILE 80 - HA VAL 50 OK 21 76 - 28 - ~7419=5, 1.8/6915=4...(9) QD2 LEU 41 - HA VAL 50 OK 17 100 - 17 - 4.3/6044=3, 217/3.0=2...(5) QD1 LEU 126 - HA VAL 50 poor 9 90 - 10 - ~217=1, 2.1/6914=1...(6) QD2 LEU 126 - HA VAL 50 poor 9 83 - 11 - 217/3.0=2, 2.1/6914=1...(4) QD2 LEU 59 - HA VAL 50 lone 9 97 - 9 - 2.1/7015=2, 217/3.0=1 QD1 ILE 124 - HA VAL 50 lone 4 100 - 4 - 217/3.0=1 HB2 GLN 42 - HA VAL 50 lone 3 71 - 5 - Peak 6914 from cnoeabs.peaks (1.60, 3.39, 66.83 ppm; 5.05 A): 4 out of 18 assignments used, quality = 0.92: HG2 ARG 53 + HA VAL 50 OK 81 100 - 82 - 3.0/6047=21, 3.0/6916=20...(17) HG12 ILE 63 + HA VAL 50 OK 30 100 - 30 - 2.1/7154=12, 5.2/5601=5...(10) HG LEU 101 + HA VAL 50 OK 24 93 - 26 - ~8153=5, ~8154=4, 8291=4...(5) HG LEU 51 + HA VAL 50 OK 21 60 - 35 - 3088/3.6=12, ~6931=8...(6) HG LEU 126 - HA VAL 50 OK 13 97 - 14 - ~217=2, 2.1/6913=2...(5) HB3 LEU 126 - HA VAL 50 OK 13 100 - 13 - 6904/8279=2, ~217=2...(4) HB2 LEU 126 - HA VAL 50 OK 13 100 - 13 - 6904/8279=2, ~217=2...(4) HB2 LEU 59 - HA VAL 50 OK 12 85 - 14 - 3.2/7015=2, 1002/3.6=2...(4) HD3 LYS 31 - HA VAL 50 OK 11 90 - 12 - 3.4/3049=2, 3.4/6045=2 HD2 LYS 31 - HA VAL 50 OK 11 90 - 12 - 3.4/3049=2, 3.4/6045=2 HD3 LYS 119 - HA VAL 50 lone 10 99 - 10 - 3.7/3049=2, ~8283=1 HD2 LYS 119 - HA VAL 50 lone 10 98 - 10 - 3.7/3049=2, ~8283=1 HG2 PRO 30 - HA VAL 50 lone 8 99 - 9 - HG2 ARG 57 - HA VAL 50 poor 8 71 - 11 - 7040/8215=2, 8502/6991=2...(4) HG2 ARG 81 - HA VAL 50 lone 5 71 - 7 - 2.9/3049=1 HG3 ARG 81 - HA VAL 50 lone 5 71 - 7 - 2.9/3049=1 HD3 LYS 32 - HA VAL 50 lone 3 100 - 3 - HD2 LYS 32 - HA VAL 50 lone 3 100 - 3 - Peak 6915 from cnoeabs.peaks (2.18, 3.39, 66.83 ppm; 4.74 A): 2 out of 6 assignments used, quality = 0.94: HB VAL 49 + HA VAL 50 OK 83 99 - 84 - 2.1/8279=29, 216/3.0=19...(16) HB VAL 26 + HA VAL 50 OK 67 90 - 74 - 2.1/8215=19, 8225=11...(20) HG12 ILE 80 - HA VAL 50 OK 29 90 - 32 - ~7419=6, ~8346=5...(8) HB2 GLU 73 - HA VAL 50 OK 20 97 - 21 - 8739/3.2=3, 6923/3.2=3...(6) HG2 PRO 37 - HA VAL 50 OK 19 76 - 25 - 216/3.0=3, 6923/3.2=3...(9) HG2 GLU 69 - HA VAL 50 lone 1 57 - 1 - Peak 6916 from cnoeabs.peaks (3.09, 3.39, 66.83 ppm; 4.70 A): 3 out of 6 assignments used, quality = 0.88: HD3 ARG 53 + HA VAL 50 OK 78 100 - 78 - 8290=22, 3.6/6047=17...(14) HB2 PHE 107 + HA VAL 50 OK 28 89 - 32 - 4.0/6049=8, 4.6/3047=5...(8) HB3 CYS 52 + HA VAL 50 OK 24 78 - 31 - 4.4/1620=14, 4.0/1614=10...(5) HB3 HIS 10 - HA VAL 50 lone 5 98 - 5 - HB3 CYS 76 - HA VAL 50 lone 3 83 - 3 - HB3 ASP 100 - HA VAL 50 lone 3 78 - 3 - Peak 6917 from cnoeabs.peaks (6.76, 0.57, 21.11 ppm; 4.87 A): 4 out of 8 assignments used, quality = 0.93: H LEU 27 + QG1 VAL 50 OK 67 100 - 67 - 6515/3.2=12, ~6924=10...(15) HZ PHE 107 + QD2 LEU 45 OK 49 78 - 63 - ~6849=23, 4780/2.1=12...(10) HD22 ASN 99 + QG1 VAL 50 OK 37 100 - 37 - 7684=10, 4.4/7677=8...(6) H LEU 27 + QD2 LEU 45 OK 36 78 - 47 - 4.4/6528=9, 4.0/8241=8...(11) HD22 ASN 99 - QD2 LEU 45 OK 22 77 - 28 - 7684=6, 3.5/7680=5...(6) HE21 GLN 42 - QD2 LEU 45 OK 17 76 - 23 - 739/3.1=3, 6791/3.1=2...(7) HZ PHE 107 - QG1 VAL 50 OK 16 100 - 16 - 8.2/8237=3, 2297/6528=1 HE21 GLN 42 - QG1 VAL 50 OK 10 99 - 10 - Peak 6918 from cnoeabs.peaks (8.25, 1.13, 23.11 ppm; 4.67 A): 2 out of 4 assignments used, quality = 0.74: H VAL 49 + QG2 VAL 50 OK 67 100 - 67 - 4.7/3062=23, 6896=21...(6) H GLU 69 + QG2 VAL 50 OK 21 97 - 22 - 214/4.0=7, 1612/4.3=4...(5) H ASP 100 - QG2 VAL 50 lone 6 63 - 10 - 3.6/6924=7 H TRP 20 - QG2 VAL 50 lone 4 68 - 5 - 1612/4.3=1 Peak 6919 from cnoeabs.peaks (8.53, 1.13, 23.11 ppm; 4.55 A): 5 out of 7 assignments used, quality = 0.75: H ARG 53 + QG2 VAL 50 OK 44 90 - 49 - 1620/3.2=15, 6960=14...(7) H GLU 28 + QG2 VAL 50 OK 28 60 - 46 - 6543=14, 3.6/6924=13...(10) H LEU 77 + QG2 VAL 50 OK 17 87 - 19 - 1143/2.1=7, ~3995=5...(4) H LEU 41 + QG2 VAL 50 OK 14 93 - 15 - 6044/3.2=3, 1613/4.3=3...(5) H GLU 94 + QG2 VAL 50 OK 13 96 - 13 - 1613/4.3=4, 6044/3.2=3 H GLU 38 - QG2 VAL 50 lone 9 99 - 9 - 3.9/6923=2, 6044/3.2=1 H SER 13 - QG2 VAL 50 lone 4 65 - 6 - 4.6/3062=3, 1428/4.0=1 Peak 6920 from cnoeabs.peaks (0.92, 0.57, 21.11 ppm; 3.03 A): 6 out of 22 assignments used, quality = 0.93: QG2 VAL 49 + QG1 VAL 50 OK 42 100 - 42 - 4.3/996=8, ~8493=7...(12) QD2 LEU 27 + QG1 VAL 50 OK 42 100 - 42 - 6526/2.1=8, 6528=7...(13) QD1 LEU 27 + QG1 VAL 50 OK 41 100 - 41 - 6531=9, 2.1/6528=6...(12) QD2 LEU 27 + QD2 LEU 45 OK 30 78 - 39 - 6527/2.1=7, 6528=7...(11) QD1 LEU 27 + QD2 LEU 45 OK 29 77 - 37 - 6531=8, 2.1/6528=6...(13) QD1 LEU 41 + QD2 LEU 45 OK 28 72 - 40 - ~6754=6, 6531=6, ~8269=4...(15) QD1 LEU 117 - QG1 VAL 50 OK 21 96 - 22 - 2.1/3061=4, 6531=3...(10) QD1 LEU 55 - QG1 VAL 50 OK 17 93 - 18 - ~7015=2, 2.1/3059=2...(9) HB2 GLN 42 - QD2 LEU 45 OK 16 77 - 21 - ~6786=4, ~6848=2...(8) QD1 LEU 41 - QG1 VAL 50 lone 7 97 - 7 - 6531=1 QD1 ILE 63 - QG1 VAL 50 lone 7 83 - 8 - 7154/3.2=3, 3533/4.3=1 QG2 ILE 22 - QG1 VAL 50 lone 6 100 - 6 - QG2 VAL 49 - QD2 LEU 45 lone 6 78 - 7 - 4.3/996=2 QD1 LEU 117 - QD2 LEU 45 lone 4 71 - 6 - HB2 GLN 42 - QG1 VAL 50 lone 4 100 - 4 - QG2 VAL 115 - QG1 VAL 50 lone 3 100 - 3 - QD1 LEU 126 - QG1 VAL 50 lone 2 95 - 3 - QG2 VAL 115 - QD2 LEU 45 lone 2 78 - 3 - QD1 LEU 55 - QD2 LEU 45 lone 2 68 - 3 - QG2 ILE 22 - QD2 LEU 45 lone 2 78 - 3 - QD1 ILE 63 - QD2 LEU 45 lone 1 58 - 2 - QD1 LEU 126 - QD2 LEU 45 lone 1 69 - 1 - Peak 6921 from cnoeabs.peaks (1.02, 0.57, 21.11 ppm; 3.44 A): 6 out of 12 assignments used, quality = 0.87: HB3 LEU 27 + QG1 VAL 50 OK 45 93 - 48 - 8241=7, 3.1/6528=7...(14) QD2 LEU 101 + QD2 LEU 45 OK 39 72 - 54 - 8153=15, 2.1/8154=10...(19) HB3 LEU 27 + QD2 LEU 45 OK 27 68 - 40 - 3.1/6528=6, 8241=6...(12) HB3 LEU 21 + QG1 VAL 50 OK 25 60 - 42 - 3.1/6511=10, 3.0/3058=5...(13) QD2 LEU 101 + QG1 VAL 50 OK 19 97 - 20 - 8153=5, 2.1/8154=4...(4) QG1 VAL 120 + QG1 VAL 50 OK 13 97 - 13 - 5294/2.1=3, 2.1/3061=2...(4) HB3 LEU 21 - QD2 LEU 45 poor 9 40 - 23 - 3.1/6511=5, 2117/2.1=2...(12) QD1 LEU 58 - QG1 VAL 50 lone 8 85 - 9 - 7065/6511=1 QD1 LEU 58 - QD2 LEU 45 poor 7 60 - 12 - 7061/3.1=1, ~8506=1...(5) QD2 LEU 58 - QD2 LEU 45 poor 5 44 - 12 - 6365/2.1=1, ~8506=1 QD2 LEU 58 - QG1 VAL 50 lone 5 65 - 8 - QG1 VAL 120 - QD2 LEU 45 lone 4 73 - 6 - Peak 6922 from cnoeabs.peaks (0.90, 1.13, 23.11 ppm; 3.00 A): 5 out of 13 assignments used, quality = 0.87: QG2 VAL 49 + QG2 VAL 50 OK 44 89 - 49 - 2.1/8493=12, 4.3/3062=10...(13) QG1 VAL 49 + QG2 VAL 50 OK 39 81 - 49 - 8493=12, 4.3/3062=10...(12) QD2 LEU 27 + QG2 VAL 50 OK 32 83 - 39 - 6526=8, 6528/2.1=5...(13) QD1 LEU 27 + QG2 VAL 50 OK 29 76 - 38 - 2.1/6526=8, 4.0/6924=5...(12) QD1 LEU 117 + QG2 VAL 50 OK 24 99 - 25 - 5164=3, 2.1/5157=2...(12) QD2 LEU 41 - QG2 VAL 50 lone 7 93 - 7 - 4.3/6919=1 QG2 ILE 22 - QG2 VAL 50 lone 4 81 - 5 - QD1 LEU 126 - QG2 VAL 50 lone 3 100 - 3 - QD1 LEU 41 - QG2 VAL 50 lone 3 60 - 6 - 4.3/6919=1 QD2 LEU 59 - QG2 VAL 50 lone 3 81 - 4 - HB2 GLN 42 - QG2 VAL 50 lone 2 93 - 3 - QD1 ILE 124 - QG2 VAL 50 lone 2 90 - 3 - QG2 VAL 115 - QG2 VAL 50 lone 2 81 - 3 - Peak 6923 from cnoeabs.peaks (2.19, 1.13, 23.11 ppm; 4.00 A): 6 out of 6 assignments used, quality = 0.92: HB VAL 49 + QG2 VAL 50 OK 70 100 - 70 - 2.1/8493=20, 4.4/3062=18...(12) HB VAL 26 + QG2 VAL 50 OK 53 100 - 53 - 2.1/8227=11, 2.1/8222=9...(13) HG12 ILE 80 + QG2 VAL 50 OK 16 63 - 25 - ~7419=6, ~8346=4...(7) HB2 GLU 73 + QG2 VAL 50 OK 15 100 - 15 - 8535/2.1=3, 6915/3.2=2...(5) HG2 PRO 37 + QG2 VAL 50 OK 15 97 - 15 - 8535/2.1=2, 216/4.0=2...(5) HB3 PRO 37 + QG2 VAL 50 OK 11 73 - 14 - 6501=2, 8225/3.2=2...(7) Peak 6924 from cnoeabs.peaks (4.55, 1.13, 23.11 ppm; 4.01 A): 5 out of 7 assignments used, quality = 0.70: HA LEU 27 + QG2 VAL 50 OK 44 95 - 47 - 3.6/6543=10, 4.0/6526=9...(12) HA ASN 99 + QG2 VAL 50 OK 22 99 - 22 - 7677/2.1=10, ~7674=4...(5) HA GLU 82 + QG2 VAL 50 OK 12 100 - 12 - 6926/2.1=2, 2.9/5604=2...(5) HB THR 121 + QG2 VAL 50 OK 12 96 - 12 - 2.1/8087=3, 4.0/623=2...(5) HA THR 95 + QG2 VAL 50 OK 12 100 - 12 - 3.0/5604=2, 6926/2.1=2...(6) HA ASN 79 - QG2 VAL 50 lone 6 100 - 6 - 6119/4.3=2, 6926/2.1=2 HA GLU 69 - QG2 VAL 50 lone 5 57 - 8 - 3.0/6918=5, ~324=1 Peak 6926 from cnoeabs.peaks (4.55, 0.57, 21.11 ppm; 4.23 A): 8 out of 14 assignments used, quality = 0.93: HA LEU 27 + QG1 VAL 50 OK 54 95 - 57 - 6924/2.1=15, 3.0/8241=9...(12) HA ASN 99 + QG1 VAL 50 OK 44 99 - 44 - 7677=13, 3.0/7674=8...(11) HA LEU 27 + QD2 LEU 45 OK 28 69 - 41 - 3.0/8241=8, 4.0/6528=8...(10) HA ASN 99 + QD2 LEU 45 OK 25 75 - 33 - 7677=8, 3.0/7680=4...(12) HA GLU 82 + QG1 VAL 50 OK 17 100 - 17 - 6924/2.1=4, 2.9/5603=2...(6) HA THR 95 + QG1 VAL 50 OK 16 100 - 15 - 6924/2.1=4, 4542/4.3=2...(6) HB THR 121 + QG1 VAL 50 OK 13 96 - 14 - 6924/2.1=4, ~8087=2...(4) HA ASN 79 + QG1 VAL 50 OK 12 100 - 12 - 6924/2.1=2, 3.5/7405=2 HA GLU 69 - QG1 VAL 50 lone 5 57 - 9 - ~6918=4, 6924/2.1=2, ~324=2 HA THR 95 - QD2 LEU 45 lone 5 78 - 6 - HB THR 121 - QD2 LEU 45 lone 5 71 - 7 - HA GLU 82 - QD2 LEU 45 lone 5 77 - 6 - HA ASN 79 - QD2 LEU 45 lone 4 78 - 5 - HA GLU 69 - QD2 LEU 45 lone 3 38 - 8 - 5592/4.7=1 Peak 6928 from cnoeabs.peaks (0.71, 0.16, 21.80 ppm; 3.13 A): 2 out of 6 assignments used, quality = 0.48: QD2 LEU 54 + QD2 LEU 51 OK 32 100 - 32 - 8425/4.0=7, 3.1/6931=7...(8) QD1 LEU 114 + QD2 LEU 51 OK 24 96 - 25 - 2.1/7946=13, 7947=3...(6) QD2 LEU 111 - QD2 LEU 51 lone 6 81 - 8 - 4.7/563=1, 4.0/7916=1 HG3 GLU 75 - QD2 LEU 51 lone 5 98 - 5 - 8425/4.0=2 QD1 LEU 77 - QD2 LEU 51 lone 5 76 - 6 - 8425/4.0=2 QG1 VAL 66 - QD2 LEU 51 lone 4 90 - 4 - 8425/4.0=1 Peak 6929 from cnoeabs.peaks (0.85, 0.16, 21.80 ppm; 3.19 A): 3 out of 9 assignments used, quality = 0.55: QD2 LEU 114 + QD2 LEU 51 OK 36 100 - 36 - 7946=19, 2.1/6928=10...(5) HG13 ILE 80 + QD2 LEU 51 OK 17 78 - 21 - 3.2/7404=5, ~7403=4...(6) QD1 LEU 59 + QD2 LEU 51 OK 16 100 - 16 - 2.1/3097=2, 3421/3.1=2...(6) HB2 ASN 118 - QD2 LEU 51 poor 9 71 - 13 - 3.0/3096=3, 1.8/6934=2...(6) HG13 ILE 22 - QD2 LEU 51 lone 7 98 - 7 - 2.1/6444=4 QD1 LEU 93 - QD2 LEU 51 lone 6 87 - 7 - 4.7/6940=2 QD2 LEU 55 - QD2 LEU 51 lone 4 100 - 4 - QG1 VAL 115 - QD2 LEU 51 lone 4 89 - 4 - QD2 LEU 126 - QD2 LEU 51 lone 1 71 - 1 - Peak 6930 from cnoeabs.peaks (1.01, 0.16, 21.80 ppm; 4.43 A): 6 out of 9 assignments used, quality = 0.93: HB3 LEU 27 + QD2 LEU 51 OK 56 100 - 56 - 6518/2.1=12, ~6517=8...(21) QD2 LEU 101 + QD2 LEU 51 OK 55 78 - 70 - 7710/2.1=15, 7711=11...(28) QD1 LEU 101 + QD2 LEU 51 OK 51 73 - 69 - ~7710=13, 2.1/7711=12...(28) QD1 LEU 58 + QD2 LEU 51 OK 15 99 - 16 - ~8506=1, 4729/6940=1 QD2 LEU 58 + QD2 LEU 51 OK 12 90 - 13 - ~8506=1 QG1 VAL 18 + QD2 LEU 51 OK 10 71 - 14 - 2.1/8396=4, 8195/2607=2, ~8399=1 QG1 VAL 120 - QD2 LEU 51 poor 10 81 - 12 - 2.1/6931=2, 2.1/6934=1 HG2 LYS 65 - QD2 LEU 51 lone 5 60 - 8 - 4.9/6939=2 HG3 LYS 65 - QD2 LEU 51 lone 5 60 - 8 - 4.9/6939=2 Peak 6931 from cnoeabs.peaks (1.15, 0.16, 21.80 ppm; 4.30 A): 3 out of 4 assignments used, quality = 0.80: HB3 LEU 54 + QD2 LEU 51 OK 58 98 - 59 - 3.1/6928=17, 6054/4.0=13...(9) QG2 VAL 50 + QD2 LEU 51 OK 39 96 - 41 - 4.3/3095=14, 2.1/6842=8...(9) QD2 LEU 117 + QD2 LEU 51 OK 21 96 - 22 - 6054/4.0=4, 223/4.8=3...(9) QG2 VAL 120 - QD2 LEU 51 poor 8 73 - 11 - 2.1/6930=2, 223/4.8=1 Peak 6932 from cnoeabs.peaks (1.28, 0.16, 21.80 ppm; 4.81 A): 4 out of 6 assignments used, quality = 0.95: QG2 ILE 80 + QD2 LEU 51 OK 68 97 - 70 - 7403/2.1=19, 7404=13...(19) QD1 ILE 80 + QD2 LEU 51 OK 57 97 - 58 - ~7403=11, 3.2/7404=10...(14) HG LEU 54 + QD2 LEU 51 OK 56 100 - 56 - 2.1/6928=21, 3.0/6931=17...(7) QG2 THR 116 + QD2 LEU 51 OK 10 98 - 10 - HG3 LYS 32 - QD2 LEU 51 poor 10 87 - 11 - QG2 THR 19 - QD2 LEU 51 lone 3 81 - 4 - Peak 6933 from cnoeabs.peaks (1.97, 0.16, 21.80 ppm; 4.60 A): 5 out of 19 assignments used, quality = 0.93: HG LEU 45 + QD2 LEU 51 OK 65 100 - 65 - 6841=28, 2.1/6842=15...(12) HB3 PRO 30 + QD2 LEU 51 OK 42 73 - 57 - 6604=10, 3.0/6600=10...(16) HG LEU 114 + QD2 LEU 51 OK 37 99 - 38 - 2.1/7946=19, 2.1/6928=15...(4) HB2 LEU 41 + QD2 LEU 51 OK 27 97 - 27 - ~6750=3, 8261/2.1=3...(9) HG2 PRO 60 + QD2 LEU 51 OK 25 81 - 31 - 2.3/3096=7, 2.3/6934=6...(8) HB3 ARG 85 - QD2 LEU 51 OK 20 73 - 27 - 4.0/416=4, 3.0/3093=3...(14) HB2 ARG 85 - QD2 LEU 51 OK 20 73 - 27 - 4.0/416=4, 3.0/3093=3...(14) HB3 LYS 119 - QD2 LEU 51 poor 7 63 - 11 - 4.0/5609=3, 6604=2, ~6272=1 HB3 GLU 94 - QD2 LEU 51 lone 7 87 - 8 - 4.7/3095=4, 5809/4.8=2 HB2 ARG 71 - QD2 LEU 51 lone 6 100 - 6 - HB ILE 124 - QD2 LEU 51 lone 6 97 - 6 - HB2 LEU 55 - QD2 LEU 51 lone 5 60 - 9 - 3.1/6929=2, ~7011=1 HG2 PRO 68 - QD2 LEU 51 lone 5 99 - 5 - HB2 GLU 94 - QD2 LEU 51 lone 5 68 - 7 - 4.7/3095=4, 5808/4.8=1 HB3 PRO 68 - QD2 LEU 51 lone 4 97 - 5 - 5088/7946=1 HB2 LYS 46 - QD2 LEU 51 lone 3 68 - 5 - HB3 GLN 103 - QD2 LEU 51 lone 3 97 - 3 - HB2 MET 11 - QD2 LEU 51 lone 2 93 - 2 - HB3 GLU 69 - QD2 LEU 51 lone 2 63 - 3 - Peak 6934 from cnoeabs.peaks (2.32, 0.16, 21.80 ppm; 4.80 A): 5 out of 9 assignments used, quality = 0.85: HB2 LEU 54 + QD2 LEU 51 OK 65 99 - 65 - 1.8/6931=21, 3.1/6928=19...(8) HB3 PRO 60 + QD2 LEU 51 OK 31 100 - 32 - 3.0/3096=7, 6052/4.0=6...(10) HB3 ASN 118 + QD2 LEU 51 OK 18 63 - 29 - 3.0/3096=6, 1.8/6929=4...(8) HB3 GLU 82 + QD2 LEU 51 OK 13 92 - 15 - 4.3/7467=6, 3.7/3095=4 HB2 GLU 82 + QD2 LEU 51 OK 13 92 - 15 - 4.3/7467=6, 3.7/3095=4 HG3 GLU 56 - QD2 LEU 51 poor 10 98 - 10 - 8303/4.8=2, 6052/4.0=2 HG2 PRO 70 - QD2 LEU 51 lone 6 73 - 9 - ~6935=3 HB VAL 120 - QD2 LEU 51 lone 6 65 - 9 - 2.1/6931=3, 2.1/6930=2 HG2 GLN 16 - QD2 LEU 51 lone 3 83 - 4 - Peak 6935 from cnoeabs.peaks (3.60, 0.62, 26.19 ppm; 4.06 A): 0 out of 6 assignments used, low quality = 0.30: HA2 GLY 48 - QD1 LEU 51 OK 17 76 - 22 - 1.8/6891=9, 6886=7...(4) HA LEU 111 - QD1 LEU 51 OK 16 100 - 16 - 7916/2.1=5, 7916/7876=4, ~563=3 HD2 PRO 70 - QD1 LEU 51 lone 5 99 - 5 - HA VAL 115 - QD1 LEU 51 lone 4 96 - 5 - HA GLU 75 - QD1 LEU 51 lone 4 83 - 5 - 3.6/5610=2 HA2 GLY 39 - QD1 LEU 51 lone 4 100 - 4 - 6014/2.1=1 Peak 6936 from cnoeabs.peaks (3.21, 0.45, 39.13 ppm; 5.17 A): 3 out of 6 assignments used, quality = 0.85: HB3 PHE 83 + HB3 LEU 51 OK 78 100 - 78 - 7474=50, 7473/3.1=23...(7) HA GLN 42 + HB3 LEU 51 OK 27 100 - 27 - 6937/1.8=7, 6786/3.1=7...(10) HD2 ARG 81 + HB3 LEU 51 OK 10 97 - 11 - 6937/1.8=4, ~8536=3 HB3 TRP 20 - HB3 LEU 51 lone 9 96 - 10 - 2043/4.6=4, 6937/1.8=2 HD2 ARG 71 - HB3 LEU 51 lone 5 98 - 5 - 6937/1.8=1, ~6937=1 HD3 ARG 71 - HB3 LEU 51 lone 4 68 - 5 - 6937/1.8=1, ~6937=1 Peak 6937 from cnoeabs.peaks (3.20, 1.42, 39.13 ppm; 5.36 A): 4 out of 7 assignments used, quality = 0.86: HB3 PHE 83 + HB2 LEU 51 OK 69 99 - 70 - 7474/1.8=43, 7473/3.1=24...(6) HA GLN 42 + HB2 LEU 51 OK 30 96 - 32 - 6936/1.8=8, 6786/3.1=7...(12) HD2 ARG 53 + HB2 LEU 51 OK 21 71 - 29 - ~6972=5, 6969/3.1=4...(13) HD2 ARG 81 + HB2 LEU 51 OK 20 100 - 20 - 4.7/7435=5, 3.5/8536=4...(4) HB3 TRP 20 - HB2 LEU 51 poor 10 76 - 13 - 2043/4.6=4, 6936/1.8=3...(5) HD3 ARG 71 - HB2 LEU 51 lone 7 92 - 7 - ~6936=1, 6936/1.8=1 HD2 ARG 71 - HB2 LEU 51 lone 6 83 - 7 - 6936/1.8=2 Peak 6938 from cnoeabs.peaks (7.12, 0.45, 39.13 ppm; 5.06 A): 3 out of 5 assignments used, quality = 0.79: QD PHE 83 + HB3 LEU 51 OK 56 100 - 56 - 2.5/7474=36, ~7473=14...(5) QD PHE 40 + HB3 LEU 51 OK 46 100 - 46 - 4672/3.1=10, ~6939=8...(14) HE ARG 53 + HB3 LEU 51 OK 12 81 - 15 - ~6972=3, ~6969=3...(7) H LEU 93 - HB3 LEU 51 lone 6 73 - 8 - 6940/3.1=3, 6942/3.1=2 HE ARG 92 - HB3 LEU 51 lone 4 98 - 4 - Peak 6939 from cnoeabs.peaks (7.21, 0.16, 21.80 ppm; 4.49 A): 5 out of 6 assignments used, quality = 0.79: QE PHE 40 + QD2 LEU 51 OK 43 97 - 44 - 2.2/4672=9, 6941/2.1=9...(10) QD PHE 107 + QD2 LEU 51 OK 36 78 - 46 - 4810/2.1=6, ~4797=6...(14) QD TYR 102 + QD2 LEU 51 OK 20 95 - 21 - 6941/2.1=4, 4744/3.1=2...(5) H LYS 65 + QD2 LEU 51 OK 16 100 - 16 - 6941/2.1=3, 7160/4.8=2 QD TYR 67 + QD2 LEU 51 OK 15 97 - 16 - 6941/2.1=3, 4686/4.0=2 HE ARG 81 - QD2 LEU 51 lone 5 63 - 8 - 6.3/7434=2, ~6937=2, ~6936=1 Peak 6940 from cnoeabs.peaks (7.09, 0.16, 21.80 ppm; 3.79 A): 3 out of 4 assignments used, quality = 0.74: HZ PHE 96 + QD2 LEU 51 OK 55 99 - 56 - 6942/2.1=20, 4733=12...(15) QD PHE 83 + QD2 LEU 51 OK 29 68 - 42 - ~7474=11, 6942/2.1=10...(8) H LEU 93 + QD2 LEU 51 OK 17 100 - 17 - 6942/2.1=5, 7948/7946=2 HE ARG 92 - QD2 LEU 51 lone 4 85 - 4 - 6942/2.1=1 Peak 6941 from cnoeabs.peaks (7.22, 0.62, 26.19 ppm; 4.22 A): 5 out of 6 assignments used, quality = 0.75: QE PHE 96 + QD1 LEU 51 OK 45 76 - 59 - 2.2/6942=23, ~6940=13...(11) QE PHE 40 + QD1 LEU 51 OK 31 100 - 31 - 6939/2.1=9, ~6938=6...(7) QD TYR 102 + QD1 LEU 51 OK 15 100 - 15 - 6939/2.1=4, 4744/3.1=2...(4) H VAL 26 + QD1 LEU 51 OK 13 65 - 19 - 4.7/97=3, 3.0/2246=3...(8) H LYS 65 + QD1 LEU 51 OK 11 99 - 11 - 6939/2.1=4, 7160/4.8=2 QD TYR 67 - QD1 LEU 51 poor 9 78 - 11 - 6939/2.1=3, 4686/4.0=2 Peak 6942 from cnoeabs.peaks (7.09, 0.62, 26.19 ppm; 3.73 A): 3 out of 4 assignments used, quality = 0.70: HZ PHE 96 + QD1 LEU 51 OK 53 99 - 54 - 4732=19, 6940/2.1=18...(13) QD PHE 83 + QD1 LEU 51 OK 27 68 - 40 - 2.5/7473=12, ~7474=10...(6) H LEU 93 + QD1 LEU 51 OK 13 100 - 13 - 6940/2.1=5, 7726/7710=1 HE ARG 92 - QD1 LEU 51 lone 3 85 - 4 - 6940/2.1=1 Peak 6943 from cnoeabs.peaks (7.11, 4.22, 65.82 ppm; 4.92 A): 0 out of 5 assignments used, low quality = 0.32: H LEU 93 - HA CYS 52 OK 23 95 - 24 - 1496/3.6=7, 4.6/5611=4...(6) QD PHE 40 - HA CYS 52 OK 12 92 - 13 - 4.5/5611=5, 6998/6058=2 HE ARG 92 - HA CYS 52 lone 8 100 - 8 - 5.1/8284=1, 6998/6058=1 QD PHE 83 - HA CYS 52 lone 7 98 - 7 - 7131/7146=2, 6998/6058=1 HZ PHE 96 - HA CYS 52 lone 3 71 - 4 - Peak 6947 from cnoeabs.peaks (0.94, 4.22, 65.82 ppm; 3.58 A): 7 out of 12 assignments used, quality = 0.94: QD1 ILE 63 + HA CYS 52 OK 68 100 - 68 - 7146=19, 7147/3.0=14...(18) QG2 VAL 49 + HA CYS 52 OK 48 89 - 55 - ~1616=9, ~6041=8...(14) QD1 LEU 55 + HA CYS 52 OK 22 100 - 22 - 4.6/6058=7, 3.1/6061=5...(5) QD1 LEU 41 + HA CYS 52 OK 18 100 - 19 - 2812/3.6=3, 4.3/5611=3...(6) QG2 ILE 22 + HA CYS 52 OK 18 95 - 19 - 2155=3, 2.1/2148=2...(7) QD2 LEU 27 + HA CYS 52 OK 16 93 - 17 - 3.1/6521=2, 3.1/6522=2...(5) QD1 LEU 27 + HA CYS 52 OK 16 97 - 16 - 3.1/6521=2, 3.1/6522=2...(6) QG2 VAL 115 - HA CYS 52 lone 9 95 - 10 - 7975=2, 7980/3.0=1 QD1 LEU 126 - HA CYS 52 poor 8 60 - 13 - 2.1/5418=3, 2.1/5404=2...(5) HB2 GLN 42 - HA CYS 52 lone 4 83 - 4 - QD1 LEU 117 - HA CYS 52 lone 3 63 - 5 - QG2 ILE 124 - HA CYS 52 lone 2 81 - 2 - Peak 6948 from cnoeabs.peaks (0.76, 4.22, 65.82 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.95: QG2 VAL 66 + HA CYS 52 OK 83 97 - 85 - 7191/3.0=29, 7189/3.0=16...(19) QG2 ILE 63 + HA CYS 52 OK 73 100 - 73 - 7142/3.0=23, 3.2/7146=13...(16) QD2 LEU 93 - HA CYS 52 OK 26 99 - 26 - 4.7/6943=8, 6962/3.6=5...(6) HG LEU 111 - HA CYS 52 OK 14 96 - 15 - 6944/3.0=2, 6962/3.6=2...(4) QD1 LEU 91 - HA CYS 52 OK 11 85 - 13 - 3.1/6061=2, 6962/3.6=2...(6) QD1 LEU 84 - HA CYS 52 OK 10 92 - 11 - ~229=2, 6944/3.0=2...(5) Peak 6949 from cnoeabs.peaks (0.91, 2.45, 27.40 ppm; 4.55 A): 4 out of 13 assignments used, quality = 0.91: QG2 VAL 49 + HB2 CYS 52 OK 72 99 - 72 - 3.2/6039=27, ~6041=21...(15) QD1 ILE 63 + HB2 CYS 52 OK 49 65 - 75 - 3.2/7142=24, 7147=14...(17) QG2 ILE 22 + HB2 CYS 52 OK 22 97 - 23 - 2155/3.0=3, 6951/1.8=3...(12) QD1 LEU 41 + HB2 CYS 52 OK 20 87 - 23 - 4.3/5612=4, 2812/4.4=3...(9) QD1 LEU 126 - HB2 CYS 52 OK 19 99 - 19 - 5411/3.0=3, 6951/1.8=3...(10) QD1 LEU 55 - HB2 CYS 52 OK 19 81 - 24 - ~6061=5, ~6059=4...(8) QD2 LEU 27 - HB2 CYS 52 OK 15 98 - 16 - 6945/4.0=2, 6951/1.8=2...(7) QD1 LEU 27 - HB2 CYS 52 OK 15 96 - 15 - 6945/4.0=2, 6951/1.8=2...(7) QD2 LEU 41 - HB2 CYS 52 OK 14 71 - 20 - 6961/4.4=4, 4.3/5612=4...(7) QD1 LEU 117 - HB2 CYS 52 OK 12 100 - 12 - 3043/6039=2, 7192/7191=2...(6) QG2 VAL 115 - HB2 CYS 52 poor 10 97 - 10 - 7975/3.0=2, 7980/4.0=2 HB2 GLN 42 - HB2 CYS 52 lone 7 100 - 7 - 6961/4.4=1 QD1 ILE 124 - HB2 CYS 52 lone 2 65 - 3 - Peak 6950 from cnoeabs.peaks (0.76, 2.45, 27.40 ppm; 3.74 A): 2 out of 7 assignments used, quality = 0.93: QG2 VAL 66 + HB2 CYS 52 OK 76 90 - 84 - 7191=37, 2.1/7182=21...(16) QG2 ILE 63 + HB2 CYS 52 OK 71 100 - 71 - 7142=32, 6952/1.8=12...(20) QD2 LEU 93 - HB2 CYS 52 OK 20 100 - 20 - 2.1/8523=4, 6962/4.4=4...(6) HG LEU 111 - HB2 CYS 52 OK 12 99 - 12 - 6952/1.8=2, 6962/4.4=2...(5) QD1 LEU 91 - HB2 CYS 52 lone 9 95 - 9 - 6952/1.8=1, 6962/4.4=1 QD1 LEU 84 - HB2 CYS 52 lone 9 98 - 9 - 3.9/6153=2, 6952/1.8=1...(5) QD2 LEU 111 - HB2 CYS 52 lone 6 73 - 8 - ~6952=1, 6962/4.4=1...(4) Peak 6951 from cnoeabs.peaks (0.92, 3.12, 27.40 ppm; 4.93 A): 2 out of 11 assignments used, quality = 0.94: QG2 VAL 49 + HB3 CYS 52 OK 81 100 - 81 - 3.2/6041=34, ~6039=23...(14) QD1 ILE 63 + HB3 CYS 52 OK 67 81 - 84 - 7147/1.8=22, ~7142=19...(18) QD1 LEU 41 - HB3 CYS 52 OK 28 96 - 30 - 4.3/5613=5, 2812/4.4=4...(11) QD1 LEU 55 - HB3 CYS 52 OK 25 92 - 28 - ~6061=6, ~6059=5...(8) QD1 LEU 126 - HB3 CYS 52 OK 24 96 - 25 - 5411/3.0=4, 6949/1.8=3...(12) QG2 ILE 22 - HB3 CYS 52 OK 24 100 - 24 - 6949/1.8=4, 2155/3.0=3...(12) QD2 LEU 27 - HB3 CYS 52 OK 19 100 - 19 - 6945/4.0=3, 6949/1.8=2...(7) QD1 LEU 27 - HB3 CYS 52 OK 19 99 - 19 - 6945/4.0=2, 6949/1.8=2...(8) QD1 LEU 117 - HB3 CYS 52 OK 12 97 - 13 - 3043/6041=3, 6949/1.8=2...(6) QG2 VAL 115 - HB3 CYS 52 OK 12 100 - 12 - 7975/3.0=3, 7980/4.0=2 HB2 GLN 42 - HB3 CYS 52 lone 9 100 - 9 - 6961/4.4=1, 6949/1.8=1 Peak 6952 from cnoeabs.peaks (0.76, 3.12, 27.40 ppm; 3.97 A): 2 out of 7 assignments used, quality = 0.93: QG2 VAL 66 + HB3 CYS 52 OK 76 90 - 84 - 7191/1.8=31, 7189=22...(15) QG2 ILE 63 + HB3 CYS 52 OK 72 100 - 72 - 7142/1.8=27, 7144=11...(19) QD2 LEU 93 - HB3 CYS 52 OK 19 100 - 19 - 6962/4.4=4, 6950/1.8=4...(5) HG LEU 111 - HB3 CYS 52 OK 12 99 - 12 - 6950/1.8=2, 6962/4.4=2...(4) QD1 LEU 91 - HB3 CYS 52 lone 9 95 - 9 - 6950/1.8=2, 6962/4.4=2...(5) QD1 LEU 84 - HB3 CYS 52 lone 8 98 - 8 - 6950/1.8=2, 6962/4.4=1...(4) QD2 LEU 111 - HB3 CYS 52 lone 6 73 - 8 - ~6950=2, 6962/4.4=1...(5) Peak 6953 from cnoeabs.peaks (0.68, 3.12, 27.40 ppm; 4.66 A): 1 out of 5 assignments used, quality = 0.88: QG1 VAL 66 + HB3 CYS 52 OK 88 96 - 93 - 7182/1.8=33, ~7191=29...(18) QD1 LEU 77 - HB3 CYS 52 lone 9 100 - 9 - 4.7/365=3, ~6061=1 HG3 GLU 75 - HB3 CYS 52 lone 7 85 - 8 - 3678/7189=1 QD2 LEU 54 - HB3 CYS 52 lone 6 76 - 8 - 6980/4.0=2, 6901/6041=2 QD2 LEU 24 - HB3 CYS 52 lone 4 81 - 5 - Peak 6954 from cnoeabs.peaks (2.85, 2.45, 27.40 ppm; 4.55 A): 1 out of 9 assignments used, quality = 1.00: * HG CYS 52 + HB2 CYS 52 OK 100 100 - 100 - 3.4=100 HB3 PHE 107 - HB2 CYS 52 OK 37 99 - 37 - 1.8/3116=7, 6955/1.8=7...(14) HB2 ASN 79 - HB2 CYS 52 OK 26 98 - 26 - ~6058=4, 6955/1.8=4...(9) HB2 TYR 67 - HB2 CYS 52 OK 20 95 - 22 - 6955/1.8=3, 6956/3.0=3...(9) HB3 TYR 67 - HB2 CYS 52 OK 20 95 - 22 - 6955/1.8=3, 6956/3.0=3...(9) HE3 LYS 119 - HB2 CYS 52 OK 14 97 - 14 - 6946/4.0=3, 6956/3.0=2...(5) HE2 LYS 119 - HB2 CYS 52 OK 14 97 - 14 - 6946/4.0=3, 6956/3.0=2...(5) HB2 ASN 99 - HB2 CYS 52 lone 7 97 - 7 - 6955/1.8=1 HB2 ASP 36 - HB2 CYS 52 lone 3 97 - 3 - Peak 6955 from cnoeabs.peaks (2.85, 3.12, 27.40 ppm; 4.23 A): 1 out of 10 assignments used, quality = 1.00: HG CYS 52 + HB3 CYS 52 OK 100 100 - 100 - 3.4=100 HB3 PHE 107 - HB3 CYS 52 OK 38 100 - 38 - 6954/1.8=5, ~3116=5...(14) HB2 ASN 79 - HB3 CYS 52 OK 22 100 - 23 - 6954/1.8=4, ~6058=3...(9) HB3 TYR 67 - HB3 CYS 52 OK 18 99 - 18 - 6954/1.8=3, 6956/3.0=2...(7) HB2 TYR 67 - HB3 CYS 52 OK 18 99 - 18 - 6954/1.8=3, 6956/3.0=2...(7) HE3 LYS 119 - HB3 CYS 52 OK 13 92 - 13 - 6946/4.0=2, 6954/1.8=2...(7) HE2 LYS 119 - HB3 CYS 52 OK 12 90 - 13 - 6946/4.0=2, 6954/1.8=2...(7) HB2 CYS 76 - HB3 CYS 52 OK 12 63 - 19 - 4.0/3117=4, 3.0/3981=3...(7) HB2 ASN 99 - HB3 CYS 52 lone 8 99 - 8 - 6954/1.8=1 HB2 ASP 36 - HB3 CYS 52 lone 3 99 - 3 - Peak 6956 from cnoeabs.peaks (2.86, 4.22, 65.82 ppm; 4.49 A): 1 out of 10 assignments used, quality = 0.95: HG CYS 52 + HA CYS 52 OK 95 100 - 95 - 4.6=92, 6946/3.0=19...(5) HB3 PHE 107 - HA CYS 52 OK 31 95 - 33 - 6946/3.0=6, 1.8/3112=6...(9) HB2 ASN 79 - HA CYS 52 OK 23 93 - 25 - 3.5/6058=8, 6946/3.0=4...(6) HB3 TYR 67 - HA CYS 52 OK 19 87 - 22 - 3.8/316=5, 6954/3.0=3...(9) HB2 TYR 67 - HA CYS 52 OK 19 87 - 22 - 3.8/316=5, 6954/3.0=3...(9) HE3 LYS 119 - HA CYS 52 OK 17 100 - 17 - 6946/3.0=3, ~6946=2...(8) HE2 LYS 119 - HA CYS 52 OK 17 99 - 17 - 6946/3.0=3, ~6946=2...(8) HB2 ASN 99 - HA CYS 52 lone 5 90 - 5 - 6955/3.0=1 HB2 ASP 36 - HA CYS 52 lone 2 90 - 3 - HB3 ASN 12 - HA CYS 52 lone 1 65 - 2 - Peak 6957 from cnoeabs.peaks (7.13, 3.18, 43.53 ppm; 4.51 A): 1 out of 8 assignments used, quality = 1.00: HE ARG 53 + HD2 ARG 53 OK 100 100 - 100 - 2.9=100 QD PHE 40 - HD2 ARG 53 OK 40 96 - 42 - 6958/1.8=10, 2.5/8289=6...(14) HE ARG 92 - HD2 ARG 53 OK 17 71 - 25 - 8635/3.0=2, 8539=2...(14) HE ARG 53 - HD2 ARG 81 OK 11 56 - 18 - 8539=4, 2.9/3175=1...(6) QD PHE 83 - HD2 ARG 81 poor 10 44 - 22 - 2.5/4200=4, 3.7/4193=3...(10) QD PHE 83 - HD2 ARG 53 lone 7 87 - 8 - 6958/1.8=2 HE ARG 92 - HD2 ARG 81 poor 4 34 - 12 - 8703/1.8=1 QD PHE 40 - HD2 ARG 81 lone 2 51 - 4 - Peak 6958 from cnoeabs.peaks (7.14, 3.10, 43.53 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: HE ARG 53 + HD3 ARG 53 OK 100 100 - 100 - 2.9=100 QD PHE 40 - HD3 ARG 53 OK 34 87 - 40 - 6957/1.8=8, 2.5/8290=6...(13) QD PHE 83 - HD3 ARG 53 lone 5 73 - 7 - 6957/1.8=1 Peak 6959 from cnoeabs.peaks (6.51, 3.10, 43.53 ppm; 5.14 A): 0 out of 0 assignments used, low quality = 0.00: Peak 6964 from cnoeabs.peaks (0.61, 1.74, 29.79 ppm; 3.76 A): 3 out of 3 assignments used, quality = 0.95: QG1 VAL 26 + HB2 ARG 53 OK 77 100 - 77 - 8219=16, 8217/1.8=13...(18) QG2 VAL 26 + HB2 ARG 53 OK 69 93 - 74 - 2.1/8219=12, 6965/1.8=11...(21) QD1 LEU 51 + HB2 ARG 53 OK 27 97 - 28 - 6965/1.8=4, 6963/4.0=4...(8) Peak 6965 from cnoeabs.peaks (0.62, 2.02, 29.79 ppm; 3.87 A): 2 out of 12 assignments used, quality = 0.95: QG1 VAL 26 + HB3 ARG 53 OK 80 100 - 80 - 6964/1.8=17, 8217=16...(21) QG2 VAL 26 + HB3 ARG 53 OK 77 98 - 78 - 6964/1.8=15, 2.1/8217=13...(23) QD1 LEU 51 - HB3 ARG 53 OK 29 99 - 29 - 6964/1.8=6, 6996/4.4=4...(9) QG1 VAL 26 - HB2 GLU 56 OK 22 64 - 34 - 8232/3.7=8, 8217=7...(7) QG2 VAL 26 - HB2 GLU 56 OK 16 61 - 26 - 7032/4.6=6, 2.1/8217=5...(8) QD1 LEU 51 - HB2 GLU 56 lone 5 63 - 8 - 7032/4.6=4 QD1 LEU 45 - HB3 ARG 53 lone 3 60 - 5 - QD1 LEU 51 - HB2 GLU 94 lone 2 54 - 4 - 3102/4.7=2 QG1 VAL 26 - HB2 GLU 94 lone 2 55 - 4 - 8235/4.0=1 QG2 VAL 26 - HB2 GLU 94 lone 1 52 - 2 - QD1 LEU 45 - HB2 GLU 56 lone 1 32 - 2 - QD1 LEU 45 - HB2 GLU 94 lone 1 27 - 2 - Peak 6966 from cnoeabs.peaks (0.60, 1.61, 27.58 ppm; 3.88 A): 3 out of 6 assignments used, quality = 0.96: QG1 VAL 26 + HG2 ARG 53 OK 79 99 - 80 - 6972/3.0=15, 6964/3.0=13...(23) QG2 VAL 26 + HG2 ARG 53 OK 66 83 - 80 - 6964/3.0=12, 6967/1.8=11...(26) QD1 LEU 51 + HG LEU 101 OK 47 82 - 57 - 7710/2.1=17, ~7711=7...(21) QG1 VAL 26 - HG LEU 101 OK 39 95 - 41 - 7710/2.1=13, ~7710=8...(6) QG2 VAL 26 - HG LEU 101 OK 29 77 - 38 - 7710/2.1=13, ~7710=8...(6) QD1 LEU 51 - HG2 ARG 53 OK 28 89 - 31 - 6964/3.0=5, 6967/1.8=4...(10) Peak 6967 from cnoeabs.peaks (0.62, 1.83, 27.58 ppm; 4.23 A): 2 out of 8 assignments used, quality = 0.98: QG1 VAL 26 + HG3 ARG 53 OK 86 100 - 86 - 6964/3.0=16, 8217/3.0=13...(26) QG2 VAL 26 + HG3 ARG 53 OK 84 98 - 86 - 6964/3.0=14, 6969/3.0=12...(29) QD1 LEU 51 - HG3 ARG 53 OK 33 99 - 33 - 6964/3.0=5, 6969/3.0=5...(10) QG1 VAL 26 - HB3 ARG 92 lone 7 80 - 9 - 8218=1 QD1 LEU 51 - HB3 ARG 92 lone 5 79 - 7 - 6942/4.2=3 QG2 VAL 26 - HB3 ARG 92 lone 5 76 - 6 - QD1 LEU 45 - HG3 ARG 53 lone 4 60 - 6 - QD1 LEU 45 - HB3 ARG 92 lone 1 42 - 1 - Peak 6968 from cnoeabs.peaks (0.88, 3.18, 43.53 ppm; 3.90 A): 5 out of 16 assignments used, quality = 0.84: QG1 VAL 49 + HD2 ARG 53 OK 53 99 - 53 - 6902/1.8=13, 6903/3.0=9...(11) QD2 LEU 41 + HD2 ARG 53 OK 38 93 - 41 - 6769/2.9=9, 6971/1.8=7...(14) QD2 LEU 126 + HD2 ARG 53 OK 23 100 - 23 - 6971/1.8=5, 8543/2.9=3...(9) QD2 LEU 55 + HD2 ARG 53 OK 17 65 - 27 - 6971/1.8=5, 7004/2.9=4...(12) HG13 ILE 80 + HD2 ARG 81 OK 12 56 - 22 - ~7438=2, 4.0/6129=2...(12) QD2 LEU 59 - HD2 ARG 53 lone 8 99 - 8 - 6971/1.8=2, 8543/2.9=1 HG13 ILE 80 - HD2 ARG 53 lone 8 99 - 8 - 6971/1.8=2 QG1 VAL 49 - HD2 ARG 81 lone 4 55 - 7 - QD2 LEU 41 - HD2 ARG 81 lone 3 49 - 7 - QD2 LEU 126 - HD2 ARG 81 lone 3 57 - 5 - QD1 ILE 124 - HD2 ARG 53 lone 3 96 - 3 - QD1 ILE 124 - HD2 ARG 81 lone 2 51 - 4 - QD2 LEU 55 - HD2 ARG 81 lone 2 31 - 6 - ~8295=1 QD2 LEU 114 - HD2 ARG 53 lone 2 76 - 2 - QD2 LEU 114 - HD2 ARG 81 lone 1 37 - 4 - QD2 LEU 59 - HD2 ARG 81 lone 1 55 - 2 - Peak 6969 from cnoeabs.peaks (0.61, 3.18, 43.53 ppm; 3.93 A): 4 out of 6 assignments used, quality = 0.94: QG1 VAL 26 + HD2 ARG 53 OK 72 100 - 72 - 6972/1.8=14, 3.2/8690=13...(14) QG2 VAL 26 + HD2 ARG 53 OK 69 97 - 71 - 3.2/8690=13, ~6972=13...(17) QD1 LEU 51 + HD2 ARG 53 OK 26 99 - 26 - 6964/3.6=4, 6967/3.0=4...(10) QG1 VAL 26 + HD2 ARG 81 OK 11 57 - 19 - 6507/1.8=3, 8220/3.0=3...(6) QG2 VAL 26 - HD2 ARG 81 poor 8 52 - 15 - ~6507=2, 3.2/8690=2...(5) QD1 LEU 51 - HD2 ARG 81 lone 4 55 - 7 - 3.1/6937=2, ~8536=1 Peak 6970 from cnoeabs.peaks (1.12, 3.10, 43.53 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.70: QG2 VAL 50 + HD3 ARG 53 OK 51 97 - 53 - 3.2/6916=17, 2.1/6972=10...(13) QG2 THR 62 + HD3 ARG 53 OK 29 92 - 32 - 7113/3.6=8, 7120/6.3=4...(12) QD2 LEU 117 + HD3 ARG 53 OK 13 97 - 14 - 6960/6.3=3, 8493/6902=2...(5) QG2 VAL 120 - HD3 ARG 53 lone 7 100 - 7 - 6960/6.3=1 Peak 6971 from cnoeabs.peaks (0.87, 3.10, 43.53 ppm; 4.03 A): 4 out of 9 assignments used, quality = 0.86: QG1 VAL 49 + HD3 ARG 53 OK 60 95 - 64 - 6902=17, 6968/1.8=11...(13) QD2 LEU 41 + HD3 ARG 53 OK 36 83 - 43 - 6968/1.8=8, 6769/2.9=8...(14) QD2 LEU 126 + HD3 ARG 53 OK 25 100 - 25 - 6968/1.8=5, 3.1/3173=3...(9) QD2 LEU 55 + HD3 ARG 53 OK 24 81 - 30 - 7004/2.9=5, 6968/1.8=4...(13) HG13 ILE 80 - HD3 ARG 53 lone 9 100 - 9 - 6968/1.8=2, 1.8/6973=1 QD2 LEU 59 - HD3 ARG 53 lone 8 95 - 8 - 6968/1.8=2, 8543/2.9=1 QD1 LEU 59 - HD3 ARG 53 lone 5 65 - 8 - ~6968=1 QD2 LEU 114 - HD3 ARG 53 lone 4 89 - 4 - QD1 ILE 124 - HD3 ARG 53 lone 3 87 - 3 - Peak 6972 from cnoeabs.peaks (0.59, 3.10, 43.53 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.79: QG1 VAL 26 + HD3 ARG 53 OK 66 87 - 76 - 2.1/6973=13, 3.2/8689=11...(19) QG1 VAL 50 + HD3 ARG 53 OK 27 63 - 42 - 2.1/6970=15, 3.2/6916=13...(7) QD1 LEU 51 + HD3 ARG 53 OK 16 63 - 25 - 6969/1.8=4, 6964/3.6=3...(10) QD2 LEU 77 - HD3 ARG 53 lone 4 78 - 5 - Peak 6973 from cnoeabs.peaks (2.19, 3.10, 43.53 ppm; 4.29 A): 5 out of 6 assignments used, quality = 0.92: HB VAL 26 + HD3 ARG 53 OK 70 100 - 70 - 2.1/6972=22, 3.0/8689=13...(14) HB VAL 49 + HD3 ARG 53 OK 50 100 - 50 - 2.1/6902=14, ~6968=8...(11) HG2 PRO 37 + HD3 ARG 53 OK 23 97 - 24 - 8432/3.6=5, 6974/1.8=3...(10) HB2 GLU 73 + HD3 ARG 53 OK 22 100 - 22 - 6974/1.8=3, 3.0/6082=3...(7) HB3 PRO 37 + HD3 ARG 53 OK 16 73 - 21 - 8432/3.6=4, ~6974=2...(8) HG12 ILE 80 - HD3 ARG 53 poor 7 63 - 10 - 1.8/6971=2, ~6968=1, 6974/1.8=1 Peak 6974 from cnoeabs.peaks (2.18, 3.18, 43.53 ppm; 4.46 A): 4 out of 12 assignments used, quality = 0.93: HB VAL 26 + HD2 ARG 53 OK 75 97 - 77 - 3.0/8690=18, ~6972=17...(13) HB VAL 49 + HD2 ARG 53 OK 56 100 - 56 - 2.1/6968=12, ~6902=11...(10) HB2 GLU 73 + HD2 ARG 53 OK 22 100 - 22 - 6973/1.8=5, ~6082=2...(8) HG2 PRO 37 + HD2 ARG 53 OK 22 89 - 25 - 6973/1.8=5, 8432/3.6=5...(12) HB2 GLU 73 - HD2 ARG 81 OK 20 56 - 35 - 3920/3.5=4, ~6082=4...(15) HB3 PRO 37 - HD2 ARG 53 OK 13 57 - 22 - 8432/3.6=4, 6973/1.8=3...(7) HG12 ILE 80 - HD2 ARG 81 OK 12 38 - 31 - 387/5.9=5, ~7438=3...(16) HB VAL 26 - HD2 ARG 81 poor 9 53 - 18 - ~6507=3, 3.0/8690=3...(8) HG12 ILE 80 - HD2 ARG 53 lone 7 78 - 9 - 1.8/6968=2, ~6971=2, 6973/1.8=1 HG2 PRO 37 - HD2 ARG 81 lone 4 45 - 8 - 3920/3.5=1 HB VAL 49 - HD2 ARG 81 lone 4 57 - 6 - HB3 PRO 37 - HD2 ARG 81 lone 2 26 - 9 - Peak 6975 from cnoeabs.peaks (7.72, 0.21, 22.86 ppm; 4.51 A): 6 out of 7 assignments used, quality = 0.92: H LEU 58 + QD1 LEU 54 OK 75 100 - 75 - 7054=28, 4.8/7065=20...(15) H ASN 118 + QD1 LEU 54 OK 46 96 - 48 - 3.0/6997=8, 8017/4665=5...(17) H SER 90 + QD1 LEU 54 OK 12 100 - 12 - 3.8/3206=1, 3382/7065=1 H LEU 111 + QD1 LEU 54 OK 11 71 - 15 - 4.7/6978=3, 3382/7065=1 H LEU 126 + QD1 LEU 54 OK 10 100 - 10 - 4.9/8502=1 HE21 GLN 103 + QD1 LEU 54 OK 10 92 - 11 - 1.7/6979=2, 7763/8497=1 H LEU 91 - QD1 LEU 54 lone 8 78 - 10 - 5910/8013=2, 4.4/3206=1 Peak 6976 from cnoeabs.peaks (7.58, 0.21, 22.86 ppm; 4.65 A): 5 out of 5 assignments used, quality = 0.93: H ARG 57 + QD1 LEU 54 OK 68 96 - 71 - 7033=22, 4.6/7054=14...(21) H CYS 52 + QD1 LEU 54 OK 51 97 - 52 - 3.6/8424=25, 1617/4.8=15...(11) H LYS 119 + QD1 LEU 54 OK 38 92 - 41 - 3.6/6997=8, 4.6/6975=6...(16) H CYS 76 + QD1 LEU 54 OK 17 87 - 20 - 361/2.1=4, 4.3/6988=3...(5) H SER 113 + QD1 LEU 54 OK 15 100 - 15 - 1624/4.8=2, 6072/4.0=2 Peak 6977 from cnoeabs.peaks (7.33, 0.21, 22.86 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.85: HZ2 TRP 20 + QD1 LEU 54 OK 85 100 - 85 - 4654=32, 2.5/4665=26...(17) Peak 6978 from cnoeabs.peaks (6.79, 0.21, 22.86 ppm; 4.14 A): 3 out of 5 assignments used, quality = 0.93: HH2 TRP 20 + QD1 LEU 54 OK 89 100 - 89 - 4665=34, 2.5/6977=33...(19) QE TYR 67 + QD1 LEU 54 OK 23 100 - 23 - 4701/2.1=5, 2.2/8497=3...(6) H VAL 110 + QD1 LEU 54 OK 19 100 - 19 - 7050/7065=4, 2087/6977=2...(6) HE21 GLN 42 - QD1 LEU 54 lone 4 68 - 6 - HD22 ASN 99 - QD1 LEU 54 lone 4 63 - 7 - ~7681=1, 7683/2.1=1 Peak 6979 from cnoeabs.peaks (6.88, 0.21, 22.86 ppm; 4.88 A): 3 out of 4 assignments used, quality = 0.95: HZ3 TRP 20 + QD1 LEU 54 OK 90 99 - 91 - 2.4/4665=31, 4.3/6977=30...(14) QE TYR 102 + QD1 LEU 54 OK 37 90 - 41 - 2.2/8497=9, 7755/2.1=6...(11) H LYS 46 + QD1 LEU 54 OK 21 96 - 22 - 4556/6977=2, 2095/4665=2...(7) HE22 GLN 103 - QD1 LEU 54 poor 10 97 - 10 - 1.7/6975=3, 7764/8497=1 Peak 6980 from cnoeabs.peaks (7.57, 0.71, 26.03 ppm; 4.66 A): 5 out of 15 assignments used, quality = 0.96: HE3 TRP 20 + QD2 LEU 54 OK 62 90 - 68 - 2.5/4646=15, ~4647=14...(11) HE3 TRP 20 + QD1 LEU 114 OK 48 75 - 64 - ~7949=14, ~4645=14...(11) H CYS 52 + QD2 LEU 54 OK 45 99 - 45 - 3.6/8425=18, 1617/4.8=16...(7) H SER 113 + QD1 LEU 114 OK 42 80 - 53 - 576/4.4=12, 7957/2.1=12...(11) H CYS 76 + QD2 LEU 54 OK 35 100 - 35 - 361=6, 3.6/3953=5...(9) H CYS 76 - QD1 LEU 114 OK 31 88 - 35 - 7957/2.1=6, 7324=5...(11) H CYS 76 - QD1 LEU 77 OK 27 56 - 48 - 362/4.7=17, 361=7...(10) H ARG 57 - QD2 LEU 54 OK 21 63 - 34 - 7033/2.1=13, 1639/4.0=7...(6) H SER 113 - QD2 LEU 54 OK 18 95 - 19 - 361=3, 6976/2.1=2...(6) H CYS 52 - QD1 LEU 114 OK 16 87 - 18 - 3.6/8425=4, 7957/2.1=3...(5) HE3 TRP 20 - QD1 LEU 77 poor 9 46 - 20 - 4641=4, 2.5/4646=4...(6) H SER 113 - QD1 LEU 77 poor 8 49 - 17 - 362/4.7=5, 7323/2.1=2...(5) H CYS 52 - QD1 LEU 77 poor 8 55 - 15 - 3.6/8425=4, 362/4.7=3...(4) H ARG 57 - QD1 LEU 114 poor 8 50 - 16 - 7957/2.1=4, 576/4.4=2 H ARG 57 - QD1 LEU 77 lone 2 29 - 5 - Peak 6981 from cnoeabs.peaks (7.09, 0.71, 26.03 ppm; 4.02 A): 3 out of 15 assignments used, quality = 0.65: HZ PHE 96 + QD1 LEU 114 OK 39 80 - 49 - 7948/2.1=19, 4731=11...(11) H LEU 93 + QD1 LEU 114 OK 30 89 - 34 - 7948/2.1=16, 450/4.4=4...(7) HZ PHE 96 + QD2 LEU 54 OK 19 95 - 20 - 4731=4, 6940/6928=3...(9) H LEU 93 - QD2 LEU 54 lone 9 100 - 9 - 7998/8012=2, 6940/6928=1 HE ARG 92 - QD1 LEU 114 lone 6 78 - 8 - 7948/2.1=3 QD PHE 40 - QD1 LEU 77 poor 6 30 - 19 - ~4831=4, ~7337=4...(7) QD PHE 40 - QD2 LEU 54 lone 4 65 - 7 - ~8497=1 QD PHE 40 - QD1 LEU 114 lone 3 52 - 7 - ~7956=2 QD PHE 83 - QD2 LEU 54 lone 3 81 - 4 - 6940/6928=2 HZ PHE 96 - QD1 LEU 77 lone 3 49 - 6 - ~7337=2, 4728/7420=1 QD PHE 83 - QD1 LEU 114 lone 3 65 - 4 - 6940/6928=1 HE ARG 92 - QD2 LEU 54 lone 3 93 - 3 - H LEU 93 - QD1 LEU 77 lone 2 57 - 4 - QD PHE 83 - QD1 LEU 77 lone 1 39 - 3 - HE ARG 92 - QD1 LEU 77 lone 1 48 - 2 - Peak 6982 from cnoeabs.peaks (6.89, 0.71, 26.03 ppm; 3.88 A): 4 out of 12 assignments used, quality = 0.93: HZ3 TRP 20 + QD2 LEU 54 OK 73 100 - 73 - 2.4/4664=14, 4647/2.1=14...(13) HZ3 TRP 20 + QD1 LEU 114 OK 52 88 - 59 - 7949/2.1=17, 2.4/4664=9...(12) H LYS 46 + QD1 LEU 114 OK 32 86 - 38 - 7949/2.1=12, 7952/3.1=6...(11) QE TYR 102 + QD1 LEU 77 OK 23 39 - 60 - 4762/2.1=13, ~7337=12...(9) QE TYR 102 - QD2 LEU 54 OK 20 81 - 25 - 6979/2.1=5, ~8497=4...(9) HE22 GLN 103 - QD1 LEU 114 OK 16 87 - 18 - 7949/2.1=5, 7952/3.1=4...(5) HE22 GLN 103 - QD1 LEU 77 OK 12 55 - 21 - ~7776=13, 7338/2.1=5 H LYS 46 - QD2 LEU 54 lone 10 99 - 10 - 6979/2.1=3 HZ3 TRP 20 - QD1 LEU 77 poor 9 56 - 16 - 4646=3, 7338/2.1=3...(6) HE22 GLN 103 - QD2 LEU 54 lone 6 99 - 6 - 6979/2.1=1, ~6975=1 QE TYR 102 - QD1 LEU 114 lone 5 65 - 8 - ~7956=2, 7953/4.0=1 H LYS 46 - QD1 LEU 77 lone 5 54 - 9 - 195/2.1=4, ~8585=1, 7399/7420=1 Peak 6983 from cnoeabs.peaks (6.78, 0.71, 26.03 ppm; 3.87 A): 3 out of 18 assignments used, quality = 0.93: HH2 TRP 20 + QD2 LEU 54 OK 81 98 - 83 - 4665/2.1=23, 4664=20...(16) HH2 TRP 20 + QD1 LEU 114 OK 54 84 - 64 - 4664=13, 7950/2.1=12...(14) QE TYR 67 + QD2 LEU 54 OK 23 100 - 23 - 4701=5, 6978/2.1=5...(5) H VAL 110 - QD1 LEU 114 OK 19 87 - 22 - 4.0/7875=6, 7950/2.1=5...(5) HD22 ASN 99 - QD1 LEU 77 OK 17 38 - 46 - 1.7/7681=14, 7683=13...(7) QE TYR 67 - QD1 LEU 114 OK 16 88 - 18 - 7954/4.0=4, 7950/2.1=4...(5) QE TYR 67 - QD1 LEU 77 OK 13 56 - 24 - 4701=6, 2.2/4691=5...(9) H VAL 110 - QD2 LEU 54 OK 11 100 - 11 - 6978/2.1=4 HH2 TRP 20 - QD1 LEU 77 poor 8 53 - 16 - 4664=3, 2.4/4646=3...(5) H LEU 27 - QD2 LEU 54 lone 6 65 - 8 - 6513/2.1=6 H VAL 110 - QD1 LEU 77 lone 5 55 - 9 - 7884/2.1=3, ~7349=2 HD22 ASN 99 - QD2 LEU 54 lone 4 78 - 5 - 1.7/7681=2, 7683=2 HE21 GLN 42 - QD1 LEU 114 lone 3 68 - 5 - 7950/2.1=1 HE21 GLN 42 - QD2 LEU 54 lone 3 83 - 3 - 6978/2.1=1 H LEU 27 - QD1 LEU 77 lone 2 30 - 7 - ~7352=3 HE21 GLN 42 - QD1 LEU 77 lone 2 40 - 5 - 740/3.1=1 H LEU 27 - QD1 LEU 114 lone 2 52 - 4 - 7950/2.1=2 HD22 ASN 99 - QD1 LEU 114 lone 2 63 - 3 - Peak 6984 from cnoeabs.peaks (0.63, 0.21, 22.86 ppm; 2.99 A): 5 out of 5 assignments used, quality = 0.94: QG2 VAL 26 + QD1 LEU 54 OK 68 99 - 69 - 8213=26, 2.1/8223=13...(19) QG1 VAL 26 + QD1 LEU 54 OK 49 81 - 61 - 2.1/8213=18, 8223=12...(17) QD1 LEU 21 + QD1 LEU 54 OK 39 81 - 48 - 2132=10, 2.1/2125=6...(15) QD1 LEU 51 + QD1 LEU 54 OK 32 97 - 33 - 4.0/8424=9, ~6928=6...(10) QD1 LEU 45 + QD1 LEU 54 OK 11 96 - 11 - 2.1/6511=2 Peak 6985 from cnoeabs.peaks (0.88, 0.21, 22.86 ppm; 4.38 A): 5 out of 9 assignments used, quality = 0.86: HG13 ILE 80 + QD1 LEU 54 OK 46 97 - 47 - ~7420=9, 2.1/3209=9...(13) QD1 LEU 117 + QD1 LEU 54 OK 38 60 - 63 - 2.1/8013=29, ~8012=11...(14) QG1 VAL 49 + QD1 LEU 54 OK 33 100 - 33 - 8494/2.1=7, 8493/3.1=5...(9) QD2 LEU 114 + QD1 LEU 54 OK 31 63 - 50 - 2.1/3211=7, ~3204=5...(21) QD2 LEU 41 + QD1 LEU 54 OK 13 98 - 14 - 6754/6463=3, 2.1/6530=2...(4) QD2 LEU 59 - QD1 LEU 54 lone 8 100 - 8 - 7086/4.0=1, 8644/8424=1 QD2 LEU 126 - QD1 LEU 54 lone 7 99 - 7 - 2.1/8502=2, 4.7/6975=1 QD1 ILE 124 - QD1 LEU 54 lone 4 99 - 4 - QD1 LEU 126 - QD1 LEU 54 lone 4 63 - 6 - 2.1/8502=2, 4.7/6975=1 Peak 6986 from cnoeabs.peaks (1.00, 0.21, 22.86 ppm; 3.07 A): 5 out of 8 assignments used, quality = 0.89: QD1 LEU 58 + QD1 LEU 54 OK 60 100 - 60 - 7065=25, 2.1/7068=11...(12) QD2 LEU 58 + QD1 LEU 54 OK 54 100 - 54 - 2.1/7065=20, 2.1/7068=11...(12) HB3 LEU 27 + QD1 LEU 54 OK 22 98 - 23 - 3.1/6529=5, 8240=4...(6) QG1 VAL 18 + QD1 LEU 54 OK 12 95 - 12 - 7067/6993=4, 6353/6977=1, 6364=1 QD1 LEU 101 + QD1 LEU 54 OK 11 96 - 12 - 7707/8213=1 HG3 LYS 65 - QD1 LEU 54 lone 3 89 - 3 - HG2 LYS 65 - QD1 LEU 54 lone 3 89 - 3 - QG2 THR 95 - QD1 LEU 54 lone 1 76 - 1 - Peak 6987 from cnoeabs.peaks (1.47, 0.21, 22.86 ppm; 4.38 A): 4 out of 16 assignments used, quality = 0.95: HB3 LEU 58 + QD1 LEU 54 OK 63 89 - 71 - 3.1/7065=29, 3.0/7068=20...(12) HG LEU 24 + QD1 LEU 54 OK 63 83 - 76 - 2.1/6993=49, 2.1/6463=23...(12) HG3 ARG 57 + QD1 LEU 54 OK 45 100 - 45 - 1.8/8502=15, 5.1/7033=10...(10) HB3 GLU 75 + QD1 LEU 54 OK 31 83 - 37 - 3965/2.1=5, 3.0/3211=4...(14) HB3 LEU 45 - QD1 LEU 54 OK 17 83 - 20 - 3.1/6511=3, 4.3/6979=3...(5) HG2 LYS 119 - QD1 LEU 54 OK 13 97 - 14 - 4.9/6976=4, 2.9/6989=1 QB ALA 14 - QD1 LEU 54 OK 12 100 - 12 - 6306/6337=1, 6311/4.0=1 HD2 LYS 46 - QD1 LEU 54 poor 10 96 - 10 - 5.7/6979=2, 2233/6993=1 HB2 LEU 93 - QD1 LEU 54 lone 10 100 - 10 - HG2 LYS 109 - QD1 LEU 54 lone 8 97 - 9 - 2.9/6989=1, 3385/7065=1 HG LEU 93 - QD1 LEU 54 lone 7 78 - 9 - ~8377=1 HG LEU 91 - QD1 LEU 54 lone 6 85 - 7 - HG3 LYS 31 - QD1 LEU 54 lone 6 99 - 6 - HD2 LYS 65 - QD1 LEU 54 lone 5 65 - 7 - 5.5/8497=2 HD3 LYS 65 - QD1 LEU 54 lone 5 65 - 7 - 5.5/8497=2 HG2 ARG 85 - QD1 LEU 54 lone 2 63 - 3 - Peak 6988 from cnoeabs.peaks (1.78, 0.21, 22.86 ppm; 4.64 A): 4 out of 14 assignments used, quality = 0.95: HB2 LEU 117 + QD1 LEU 54 OK 67 97 - 68 - 3.1/8013=26, ~8012=9...(18) HG LEU 117 + QD1 LEU 54 OK 56 81 - 69 - 2.1/8013=31, ~8012=12...(16) HB2 PRO 60 + QD1 LEU 54 OK 45 83 - 55 - 1.8/3207=9, 3.0/6997=8...(17) HB2 GLU 75 + QD1 LEU 54 OK 41 99 - 41 - 3959/2.1=6, 3.0/3211=5...(16) HB3 ARG 57 - QD1 LEU 54 OK 34 60 - 57 - 3.7/7033=15, 4.2/7054=15...(11) HB3 GLU 56 - QD1 LEU 54 OK 33 98 - 34 - 4.6/7033=13, 1.8/6990=3...(11) HB2 PRO 37 - QD1 LEU 54 OK 16 100 - 16 - 1.8/8480=3, 2.3/6990=2 HB2 LYS 32 - QD1 LEU 54 OK 15 100 - 15 - 4.7/5625=3, 3.0/3209=2...(4) HG3 PRO 30 - QD1 LEU 54 OK 14 83 - 17 - 2.3/3206=2, ~3199=1...(6) HD3 LYS 109 - QD1 LEU 54 lone 7 87 - 9 - 7061/7065=1, 3.9/6989=1 HD2 LYS 109 - QD1 LEU 54 lone 7 81 - 8 - 7061/7065=1, 3.9/6989=1 HG2 GLN 42 - QD1 LEU 54 lone 5 73 - 6 - 3.5/6978=1 HB3 ARG 92 - QD1 LEU 54 lone 2 76 - 3 - HG3 ARG 71 - QD1 LEU 54 lone 2 65 - 3 - Peak 6989 from cnoeabs.peaks (1.92, 0.21, 22.86 ppm; 3.89 A): 3 out of 18 assignments used, quality = 0.93: HG LEU 58 + QD1 LEU 54 OK 69 96 - 72 - 2.1/7065=30, 7068=22...(11) HB2 LEU 21 + QD1 LEU 54 OK 63 99 - 64 - 3.0/6991=11, 1.8/2118=10...(19) HB ILE 80 + QD1 LEU 54 OK 42 100 - 42 - 2.1/3209=7, 3.0/6985=6...(12) HB3 GLU 73 - QD1 LEU 54 OK 23 98 - 23 - 7439/2.1=4, 3.0/3206=4...(8) HB2 GLU 38 - QD1 LEU 54 OK 18 81 - 22 - 3.0/3206=5, 1.8/8503=4...(7) HB ILE 22 - QD1 LEU 54 OK 15 97 - 15 - 3.9/71=5, 6432/2.1=2 HB3 LYS 119 - QD1 LEU 54 poor 10 76 - 13 - 4.0/6976=4, 2.9/6987=1 HB2 LYS 109 - QD1 LEU 54 poor 10 89 - 11 - 4.6/6978=2, 3386/7065=2 HB2 LEU 84 - QD1 LEU 54 poor 9 89 - 11 - HB2 ARG 81 - QD1 LEU 54 lone 8 96 - 9 - 7439/2.1=1 HB3 PRO 30 - QD1 LEU 54 poor 7 65 - 11 - 3.0/3206=2, 2.3/6988=1 HB3 GLU 64 - QD1 LEU 54 lone 5 92 - 5 - 4.6/8497=1 HB2 GLU 64 - QD1 LEU 54 lone 5 89 - 5 - 4.6/8497=1 HB2 GLU 28 - QD1 LEU 54 lone 3 90 - 3 - HB3 MET 11 - QD1 LEU 54 lone 3 100 - 3 - HB3 GLU 69 - QD1 LEU 54 lone 2 76 - 3 - HB2 ARG 85 - QD1 LEU 54 lone 2 65 - 3 - HB3 ARG 85 - QD1 LEU 54 lone 2 65 - 3 - Peak 6990 from cnoeabs.peaks (2.06, 0.21, 22.86 ppm; 4.34 A): 5 out of 15 assignments used, quality = 0.95: HB2 ARG 57 + QD1 LEU 54 OK 53 96 - 56 - 4.2/7054=13, 3.7/7033=13...(12) HG LEU 21 + QD1 LEU 54 OK 53 76 - 70 - 2.1/2132=12, 4.3/6991=11...(17) HG3 PRO 60 + QD1 LEU 54 OK 49 93 - 52 - 2.3/3207=8, 2.3/6997=7...(17) HB2 LEU 114 + QD1 LEU 54 OK 36 78 - 47 - 3.1/3211=6, 3.1/6985=5...(22) HB3 GLU 38 + QD1 LEU 54 OK 32 100 - 32 - 3.0/3206=6, 8503=5...(9) HB2 GLU 56 - QD1 LEU 54 OK 25 83 - 30 - 4.6/7033=11, 1.8/6988=3...(11) HG3 PRO 37 - QD1 LEU 54 OK 14 97 - 14 - 2.3/8480=2, 2.3/6988=1...(4) HG3 PRO 70 - QD1 LEU 54 OK 14 85 - 16 - 1.8/3207=2, ~3200=1, ~3193=1 HB ILE 63 - QD1 LEU 54 lone 9 100 - 9 - 6073/4.0=1, 1039/7033=1 HB3 ARG 81 - QD1 LEU 54 lone 9 99 - 9 - 1.8/6989=1, ~7439=1 HB2 GLN 16 - QD1 LEU 54 lone 6 85 - 7 - HB3 GLN 16 - QD1 LEU 54 lone 5 83 - 7 - HG2 GLU 64 - QD1 LEU 54 lone 4 96 - 5 - HB2 GLN 105 - QD1 LEU 54 lone 3 89 - 3 - HB2 GLU 15 - QD1 LEU 54 lone 2 65 - 3 - Peak 6991 from cnoeabs.peaks (3.38, 0.21, 22.86 ppm; 4.58 A): 3 out of 4 assignments used, quality = 0.91: HA LEU 21 + QD1 LEU 54 OK 73 100 - 74 - 6403/6993=18, 2104=13...(20) HA VAL 50 + QD1 LEU 54 OK 64 99 - 64 - 6049/4.8=14, 3.2/8281=13...(25) HA2 GLY 86 + QD1 LEU 54 OK 11 71 - 16 - 1626/4.8=4, 1.8/3206=1 HB3 PHE 40 - QD1 LEU 54 lone 4 57 - 7 - 4.4/8497=2, 6466/6993=1 Peak 6992 from cnoeabs.peaks (3.59, 0.71, 26.03 ppm; 3.64 A): 8 out of 21 assignments used, quality = 0.86: HA LEU 51 + QD2 LEU 54 OK 31 63 - 49 - 8425=13, 8424/2.1=13...(9) HA GLU 75 + QD2 LEU 54 OK 29 100 - 29 - 3953=7, 2.9/1133=4...(9) HA LEU 111 + QD1 LEU 114 OK 26 70 - 37 - 8418/2.1=7, 6220/3.1=6...(13) HA VAL 115 + QD1 LEU 114 OK 24 47 - 50 - ~5896=7, 3.0/586=6...(21) HA GLU 75 + QD1 LEU 114 OK 21 88 - 24 - 3953=4, 6094/4.0=4...(11) HA GLU 75 + QD1 LEU 77 OK 19 56 - 34 - 3953=7, 4.7/7298=7...(9) HD2 PRO 70 + QD1 LEU 114 OK 14 61 - 23 - 6221/3.1=2, 7944/2.1=2...(11) HA LEU 111 + QD1 LEU 77 OK 10 42 - 25 - 4993/2.1=4, 4993/3.1=3...(11) HD2 PRO 70 - QD2 LEU 54 poor 8 76 - 11 - 4.8/7241=1, 2.3/3214=1 HA2 GLY 39 - QD2 LEU 54 lone 8 90 - 8 - ~5625=2, 2.9/5626=2...(5) HA LEU 51 - QD1 LEU 114 poor 7 50 - 15 - 4.0/6928=7, 8425=3 HA2 GLY 48 - QD2 LEU 54 lone 6 99 - 7 - HA LEU 111 - QD2 LEU 54 lone 5 85 - 6 - HA2 GLY 39 - QD1 LEU 77 lone 4 46 - 8 - 5553/4.7=1, ~5731=1 HA LEU 51 - QD1 LEU 77 poor 4 29 - 13 - 8425=3, 8426/2.1=2...(5) HA2 GLY 39 - QD1 LEU 114 lone 3 75 - 4 - HA2 GLY 48 - QD1 LEU 114 lone 3 87 - 4 - HA2 GLY 48 - QD1 LEU 77 lone 3 55 - 5 - HA VAL 115 - QD2 LEU 54 lone 2 60 - 4 - 3.0/586=1 HD2 PRO 70 - QD1 LEU 77 lone 2 36 - 4 - 4.8/7241=1 HA VAL 115 - QD1 LEU 77 lone 1 27 - 4 - ~7978=1 Peak 6993 from cnoeabs.peaks (0.06, 0.21, 22.86 ppm; 2.97 A): 1 out of 1 assignment used, quality = 0.61: QD1 LEU 24 + QD1 LEU 54 OK 61 100 - 61 - 6464=19, 2.1/6463=12...(17) Peak 6994 from cnoeabs.peaks (0.61, 2.33, 42.10 ppm; 4.42 A): 3 out of 3 assignments used, quality = 0.99: QG1 VAL 26 + HB2 LEU 54 OK 87 100 - 87 - 8223/3.1=23, 6506/3.0=18...(19) QG2 VAL 26 + HB2 LEU 54 OK 79 92 - 86 - 8213/3.1=23, 8227/1.8=17...(19) QD1 LEU 51 + HB2 LEU 54 OK 57 96 - 60 - 2.1/6934=13, ~6931=13...(12) Peak 6995 from cnoeabs.peaks (0.62, 3.75, 57.78 ppm; 3.19 A): 3 out of 4 assignments used, quality = 0.93: QG2 VAL 26 + HA LEU 54 OK 69 100 - 69 - 2.1/6506=13, 6510=12...(21) QG1 VAL 26 + HA LEU 54 OK 68 99 - 69 - 6506=16, 8236/3.0=11...(21) QD1 LEU 51 + HA LEU 54 OK 25 100 - 26 - ~6931=4, 8731/3.0=4...(7) QD1 LEU 45 - HA LEU 54 lone 5 71 - 7 - ~8237=1 Peak 6997 from cnoeabs.peaks (3.55, 0.21, 22.86 ppm; 5.13 A): 3 out of 4 assignments used, quality = 0.97: HA LEU 51 + QD1 LEU 54 OK 82 96 - 85 - 8424=37, 8425/2.1=24...(16) HA ASN 118 + QD1 LEU 54 OK 65 100 - 65 - 8019/6977=18...(20) HD2 PRO 60 + QD1 LEU 54 OK 61 100 - 61 - 6053/3.1=9, 6055/3.1=9...(19) HB2 ASP 47 - QD1 LEU 54 OK 13 99 - 13 - 6871/3.1=3, 6393/6977=1...(4) Peak 6999 from cnoeabs.peaks (8.66, 4.06, 57.73 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.88: H LEU 59 + HA LEU 55 OK 63 100 - 63 - 7081/3.6=13, 7071=13...(14) H VAL 120 + HA LEU 55 OK 46 93 - 49 - 4.0/7009=9, 1797/3.6=6...(19) H LEU 117 + HA LEU 55 OK 39 100 - 39 - 4.6/7009=8, 4.7/8639=5...(12) H ASN 12 - HA LEU 55 lone 9 100 - 9 - 5.7/5627=1, 11/3.0=1 Peak 7000 from cnoeabs.peaks (7.10, 4.06, 57.73 ppm; 5.11 A): 5 out of 5 assignments used, quality = 0.86: H LEU 93 + HA LEU 55 OK 55 99 - 55 - 7003/4.0=10, 7001/3.0=9...(14) HE ARG 92 + HA LEU 55 OK 32 98 - 32 - 6998/3.0=7, 7001/3.0=6...(9) QD PHE 83 + HA LEU 55 OK 27 90 - 30 - 6998/3.0=7, 7001/3.0=5...(6) QD PHE 40 + HA LEU 55 OK 27 78 - 34 - 6998/3.0=9, 7001/3.0=6...(6) HZ PHE 96 + HA LEU 55 OK 17 87 - 20 - 7003/4.0=3, 4730/4.0=2...(6) Peak 7001 from cnoeabs.peaks (7.10, 2.00, 41.36 ppm; 4.40 A): 7 out of 10 assignments used, quality = 0.89: H LEU 93 + HB2 LEU 55 OK 44 97 - 46 - 7003/3.1=9, 7000/3.0=9...(13) QD PHE 40 + HB2 LEU 55 OK 30 89 - 34 - 7002/1.8=7, 6998/4.0=6...(10) HE ARG 92 + HB2 LEU 55 OK 28 100 - 28 - 7002/1.8=6, 7000/3.0=5...(6) QD PHE 83 + HB2 LEU 55 OK 28 97 - 29 - 7002/1.8=6, 6998/4.0=5...(7) QD PHE 40 + HB2 LEU 41 OK 24 51 - 47 - 167/4.1=11, 6765/3.0=7...(13) QD PHE 83 + HB2 LEU 41 OK 20 59 - 34 - ~6128=6, ~6130=6...(10) HZ PHE 96 + HB2 LEU 55 OK 10 76 - 14 - 7000/3.0=3, 7003/3.1=3...(5) H LEU 93 - HB2 LEU 41 poor 9 59 - 15 - 1496/4.1=3, 4.6/1239=3...(4) HE ARG 92 - HB2 LEU 41 lone 5 64 - 7 - 167/4.1=1, 6765/3.0=1 HZ PHE 96 - HB2 LEU 41 lone 2 42 - 4 - Peak 7002 from cnoeabs.peaks (7.11, 1.72, 41.36 ppm; 4.30 A): 6 out of 10 assignments used, quality = 0.85: H LEU 93 + HB3 LEU 55 OK 32 78 - 41 - 7001/1.8=8, 7000/3.0=7...(12) QD PHE 40 + HB3 LEU 55 OK 31 99 - 32 - 7004/3.1=8, 6998/4.0=6...(9) QD PHE 83 + HB3 LEU 55 OK 27 100 - 27 - 7004/3.1=7, 6998/4.0=5...(7) HE ARG 92 + HB3 LEU 55 OK 26 99 - 26 - 7001/1.8=5, 6998/4.0=5...(6) QD PHE 40 + HB3 LEU 77 OK 25 92 - 27 - 4668/1.8=8, ~4831=4...(6) HE ARG 53 + HB3 LEU 55 OK 20 76 - 26 - 7004/3.1=6, 6998/4.0=4...(11) H LEU 93 - HB3 LEU 77 lone 4 68 - 6 - QD PHE 83 - HB3 LEU 77 lone 4 94 - 4 - HE ARG 92 - HB3 LEU 77 lone 3 91 - 3 - HE ARG 53 - HB3 LEU 77 lone 2 66 - 3 - Peak 7003 from cnoeabs.peaks (7.09, 0.94, 23.76 ppm; 3.59 A): 5 out of 15 assignments used, quality = 0.63: H LEU 93 + QD1 LEU 55 OK 30 100 - 31 - 8640/2.1=6, 7000/4.0=5...(8) QD PHE 83 + QD1 LEU 55 OK 16 78 - 20 - 8640/2.1=3, 3.7/8355=3...(9) HE ARG 92 + QD1 LEU 55 OK 15 92 - 16 - 8640/2.1=3, 7000/4.0=3...(5) H LEU 93 + QD1 LEU 117 OK 15 61 - 24 - 7998/2.1=16, 7594/2.1=3 QD PHE 40 + QD1 LEU 55 OK 13 63 - 21 - 8640/2.1=3, 7001/3.1=3...(8) HZ PHE 96 - QD1 LEU 55 lone 9 96 - 9 - 4730/2.1=2, 8640/2.1=1 HZ PHE 96 - QD1 LEU 117 poor 6 54 - 11 - 7998/2.1=9 H LEU 93 - QG2 VAL 49 lone 4 90 - 4 - QD PHE 40 - QG2 VAL 49 lone 2 51 - 4 - 4.5/948=1 QD PHE 40 - QD1 LEU 117 lone 2 31 - 6 - HZ PHE 96 - QG2 VAL 49 lone 2 82 - 2 - QD PHE 83 - QG2 VAL 49 lone 1 65 - 2 - HE ARG 92 - QD1 LEU 117 lone 1 51 - 3 - 7998/2.1=2 HE ARG 92 - QG2 VAL 49 lone 1 78 - 1 - QD PHE 83 - QD1 LEU 117 lone 1 41 - 1 - Peak 7004 from cnoeabs.peaks (7.13, 0.85, 26.09 ppm; 4.26 A): 4 out of 8 assignments used, quality = 0.64: QD PHE 40 + QD2 LEU 55 OK 28 99 - 28 - 6998/4.6=5, 7002/3.1=5...(10) QD PHE 83 + QD2 LEU 55 OK 24 96 - 25 - 3.7/8354=8, 7002/3.1=4...(8) HE ARG 53 + QD2 LEU 55 OK 22 97 - 23 - 2.9/6971=4, 6998/4.6=3...(10) HE ARG 92 + QD2 LEU 55 OK 16 85 - 19 - 7002/3.1=4, 6998/4.6=4...(6) HE ARG 53 - QD1 LEU 59 lone 4 54 - 8 - 8543/2.1=2 QD PHE 40 - QD1 LEU 59 lone 4 57 - 6 - QD PHE 83 - QD1 LEU 59 lone 2 53 - 4 - 3.7/8354=2 HE ARG 92 - QD1 LEU 59 lone 1 44 - 2 - Peak 7005 from cnoeabs.peaks (8.30, 0.85, 26.09 ppm; 3.97 A): 5 out of 10 assignments used, quality = 0.85: H CYS 87 + QD2 LEU 55 OK 53 99 - 53 - 7528=9, 3.6/7015=8...(14) H ILE 22 + QD2 LEU 55 OK 48 100 - 48 - 853=9, 3.0/2145=6...(15) H ILE 22 + QD1 LEU 59 OK 16 59 - 28 - 853=5, 3.0/2145=3...(11) H THR 62 + QD2 LEU 55 OK 16 60 - 26 - 3.9/7104=6, 4.0/7117=6...(7) H CYS 87 + QD1 LEU 59 OK 14 57 - 25 - 7528=4, 3.0/7533=3...(10) H GLY 125 - QD2 LEU 55 poor 8 71 - 11 - 3.6/7017=2, 4.6/7020=2 H THR 62 - QD1 LEU 59 poor 7 29 - 24 - 3.9/7104=6, 4.0/7117=6...(6) H TRP 20 - QD2 LEU 55 lone 5 81 - 6 - 1556/4.0=1 H GLY 125 - QD1 LEU 59 lone 2 35 - 6 - 3.6/7017=2, 643/2.1=1 H TRP 20 - QD1 LEU 59 lone 1 41 - 3 - Peak 7007 from cnoeabs.peaks (0.72, 4.06, 57.73 ppm; 4.64 A): 4 out of 7 assignments used, quality = 0.94: QD2 LEU 54 + HA LEU 55 OK 78 98 - 79 - 2.1/7008=27, ~248=16...(14) QD1 LEU 114 + HA LEU 55 OK 43 99 - 43 - 2.1/3225=6, 249/3.0=6...(17) QD1 LEU 77 + HA LEU 55 OK 36 65 - 55 - 2.1/7351=9, 3.1/3222=7...(17) QG1 VAL 66 + HA LEU 55 OK 24 83 - 29 - 7200/3.0=8, ~7196=5...(10) QD2 LEU 111 - HA LEU 55 OK 17 89 - 19 - 3.1/7011=3, 4.7/1748=3...(5) QD1 LEU 91 - HA LEU 55 OK 13 63 - 20 - 2.1/7012=3, 4.5/8639=2...(5) HG3 GLU 75 - HA LEU 55 lone 8 95 - 9 - 249/3.0=3, 3211/7008=1 Peak 7008 from cnoeabs.peaks (0.20, 4.06, 57.73 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.85: QD1 LEU 54 + HA LEU 55 OK 81 98 - 82 - 248/3.0=26, 2.1/7010=16...(18) QD2 LEU 21 + HA LEU 55 OK 19 63 - 30 - 248/3.0=12, 6411/4.0=4...(9) QD1 ILE 34 - HA LEU 55 lone 4 65 - 6 - Peak 7009 from cnoeabs.peaks (1.12, 4.06, 57.73 ppm; 4.29 A): 4 out of 4 assignments used, quality = 0.79: QG2 VAL 120 + HA LEU 55 OK 40 100 - 40 - 2.1/8292=7, 4.0/6999=7...(13) QD2 LEU 117 + HA LEU 55 OK 37 96 - 39 - 8013/7008=6, 4.6/6999=5...(12) QG2 THR 62 + HA LEU 55 OK 26 93 - 28 - 7113/3.0=9, 7117/4.0=6...(4) QG2 VAL 50 + HA LEU 55 OK 25 96 - 26 - 8297/4.3=4, ~6047=3...(10) Peak 7010 from cnoeabs.peaks (1.27, 4.06, 57.73 ppm; 4.51 A): 6 out of 6 assignments used, quality = 0.94: HG LEU 54 + HA LEU 55 OK 74 97 - 77 - 2.1/7008=25, 247/3.0=16...(13) QD1 ILE 80 + HA LEU 55 OK 34 100 - 34 - 7412=8, 247/3.0=5...(10) QG2 THR 116 + HA LEU 55 OK 30 100 - 30 - 4.3/6999=6, 247/3.0=4...(8) QG2 ILE 80 + HA LEU 55 OK 29 100 - 29 - 247/3.0=6, 3.2/7412=5...(8) QG2 THR 19 + HA LEU 55 OK 21 93 - 23 - 6378=5, 6375/4.0=4...(7) HG3 LYS 32 + HA LEU 55 OK 11 97 - 11 - 5.0/3219=2, 247/3.0=2, 5.0/119=1 Peak 7011 from cnoeabs.peaks (1.40, 4.06, 57.73 ppm; 4.72 A): 8 out of 10 assignments used, quality = 0.92: HG2 LYS 31 + HA LEU 55 OK 37 71 - 53 - 2.9/3222=8, 2.9/3223=6...(22) HG LEU 59 + HA LEU 55 OK 35 99 - 35 - 5.1/6999=9, 3415/4.0=5...(11) HB3 LEU 93 + HA LEU 55 OK 33 95 - 34 - 3.8/7000=9, 3.0/7012=4...(9) HB2 LEU 27 + HA LEU 55 OK 31 100 - 31 - 1.8/8292=7, 3.1/3224=3...(8) HB2 LEU 111 + HA LEU 55 OK 23 99 - 24 - 3.8/1748=3, 3.1/7007=2...(5) HB2 LEU 51 + HA LEU 55 OK 20 73 - 27 - ~6056=11, ~1631=8...(4) QG2 THR 121 + HA LEU 55 OK 20 85 - 23 - 8087/7009=2, 4.0/620=2...(10) HB VAL 110 + HA LEU 55 OK 13 100 - 13 - 4.4/1748=3, 4.0/551=3 QB ALA 122 - HA LEU 55 lone 8 89 - 9 - 2.9/1803=2, 3.6/1809=1 QB ALA 98 - HA LEU 55 lone 3 65 - 5 - 7667/7351=1 Peak 7012 from cnoeabs.peaks (1.49, 4.06, 57.73 ppm; 4.34 A): 9 out of 13 assignments used, quality = 0.93: HB3 LEU 58 + HA LEU 55 OK 50 100 - 50 - 3.1/8292=10, 3.9/8639=9...(11) HB3 LEU 114 + HA LEU 55 OK 38 98 - 38 - 3.1/7007=5, 3.1/3225=5...(15) HG3 LYS 31 + HA LEU 55 OK 29 63 - 47 - 2.9/3222=7, 1.8/7011=6...(22) HG LEU 93 + HA LEU 55 OK 27 100 - 27 - 5.3/7000=6, 3.0/7011=4...(8) HG2 LYS 109 + HA LEU 55 OK 22 97 - 23 - 1.8/4921=3, 2.9/4901=3...(7) HB2 LEU 93 + HA LEU 55 OK 19 68 - 29 - 3.8/7000=7, 1.8/7011=5...(7) HG LEU 91 + HA LEU 55 OK 18 100 - 18 - 3.0/3222=2, 2.1/7007=2 HG3 ARG 92 + HA LEU 55 OK 11 89 - 13 - 4.0/7000=4, 3.0/3223=2 HG2 ARG 92 + HA LEU 55 OK 11 85 - 13 - 4.0/7000=4, 3.0/3223=2 HG3 ARG 57 - HA LEU 55 poor 8 73 - 11 - 5.1/1637=5, 3323/3.6=2 HB2 LEU 24 - HA LEU 55 lone 8 92 - 8 - 6461/7008=2 HG2 ARG 85 - HA LEU 55 lone 4 99 - 4 - QB ALA 14 - HA LEU 55 lone 4 68 - 5 - Peak 7013 from cnoeabs.peaks (3.92, 0.85, 26.09 ppm; 4.35 A): 4 out of 26 assignments used, quality = 0.94: HD3 PRO 68 + QD2 LEU 55 OK 54 100 - 55 - 2.3/3246=5, 2.3/5082=5...(28) HD2 PRO 68 + QD2 LEU 55 OK 54 100 - 55 - 2.3/3246=5, 2.3/5082=5...(29) HB THR 62 + QD2 LEU 55 OK 53 100 - 54 - 7104=13, 2.1/7117=9...(11) HB THR 62 + QD1 LEU 59 OK 35 59 - 59 - ~7079=14, 7104=13...(10) HB2 SER 112 - QD2 LEU 55 OK 17 71 - 24 - 3.0/3255=3, ~7921=3...(12) HB3 SER 112 - QD2 LEU 55 OK 16 65 - 24 - 3.0/3255=3, ~7921=3...(12) HA ARG 85 - QD2 LEU 55 OK 15 93 - 16 - 3.6/8498=9, 6156/7005=1 HA THR 23 - QD2 LEU 55 OK 15 89 - 17 - 3.0/77=6, 6453/2.1=3...(5) HA ALA 43 - QD2 LEU 55 lone 9 100 - 9 - 6805/3.1=1, ~8298=1, ~6806=1 HA ARG 85 - QD1 LEU 59 lone 4 50 - 9 - 3.6/7508=3, 4279/3.2=1 HD3 PRO 68 - QD1 LEU 59 lone 4 59 - 7 - HD2 PRO 68 - QD1 LEU 59 lone 4 58 - 7 - HA ILE 34 - QD2 LEU 55 lone 3 93 - 3 - HA2 GLY 25 - QD2 LEU 55 lone 3 89 - 3 - HA ALA 43 - QD1 LEU 59 lone 3 59 - 5 - HA THR 23 - QD1 LEU 59 lone 3 47 - 6 - 3.0/77=3 HB THR 95 - QD2 LEU 55 lone 3 63 - 4 - HA ILE 34 - QD1 LEU 59 lone 2 50 - 3 - HA3 GLY 2 - QD2 LEU 55 lone 1 93 - 2 - HA2 GLY 2 - QD2 LEU 55 lone 1 93 - 2 - HB2 SER 112 - QD1 LEU 59 lone 1 35 - 3 - HB3 SER 112 - QD1 LEU 59 lone 1 32 - 3 - HA2 GLY 25 - QD1 LEU 59 lone 1 47 - 1 - HB THR 95 - QD1 LEU 59 lone 1 30 - 2 - HA3 GLY 2 - QD1 LEU 59 lone 0 50 - 1 - HA2 GLY 2 - QD1 LEU 59 lone 0 50 - 1 - Peak 7014 from cnoeabs.peaks (3.73, 0.85, 26.09 ppm; 3.51 A): 4 out of 20 assignments used, quality = 0.67: HA3 GLY 86 + QD2 LEU 55 OK 34 95 - 36 - 1.8/7015=8, 3.0/7508=6...(8) HA CYS 87 + QD2 LEU 55 OK 27 76 - 36 - 7533=7, 3.0/7005=7...(11) HA LEU 54 + QD2 LEU 55 OK 18 95 - 19 - 3.6/1030=7, 6071/4.8=6...(4) HB3 SER 90 + QD2 LEU 55 OK 15 100 - 15 - 7579=5, 3.8/7020=2...(6) HA GLU 38 - QD2 LEU 55 poor 9 73 - 12 - 244/4.6=2, 6005/3.1=2...(4) HB3 SER 90 - QD1 LEU 59 poor 8 59 - 13 - 7579=4, 1.8/7575=2...(4) HA3 GLY 86 - QD1 LEU 59 poor 7 51 - 13 - 1.8/7511=3, 3.0/7508=2...(5) HA CYS 87 - QD1 LEU 59 poor 5 38 - 13 - 7533=3, 3.0/7528=2...(6) HA GLU 73 - QD2 LEU 55 lone 4 98 - 4 - HB3 SER 13 - QD2 LEU 55 lone 3 57 - 5 - HA LEU 54 - QD1 LEU 59 lone 3 51 - 5 - 3.6/1030=2 HB2 TRP 20 - QD2 LEU 55 lone 2 60 - 3 - HB3 SER 35 - QD2 LEU 55 lone 1 73 - 2 - HA GLU 73 - QD1 LEU 59 lone 1 55 - 2 - HA GLU 38 - QD1 LEU 59 lone 1 36 - 3 - HB2 TRP 20 - QD1 LEU 59 lone 1 29 - 3 - HA2 GLY 104 - QD2 LEU 55 lone 1 83 - 1 - HB3 SER 35 - QD1 LEU 59 lone 0 36 - 1 - HB3 SER 13 - QD1 LEU 59 lone 0 27 - 1 - HA2 GLY 104 - QD1 LEU 59 lone 0 42 - 1 - Peak 7015 from cnoeabs.peaks (3.38, 0.85, 26.09 ppm; 4.29 A): 3 out of 6 assignments used, quality = 0.73: HA2 GLY 86 + QD2 LEU 55 OK 41 83 - 49 - 7511=12, 1.8/7014=11...(8) HA VAL 50 + QD2 LEU 55 OK 38 100 - 38 - 6047/3.1=7, 3049/2.1=5...(13) HA LEU 21 + QD2 LEU 55 OK 26 99 - 26 - 3.6/7005=8, 3.7/6411=5...(6) HA LEU 21 - QD1 LEU 59 poor 8 57 - 14 - 3.6/853=3, 4.9/2145=2...(5) HA2 GLY 86 - QD1 LEU 59 poor 8 42 - 18 - 7511=4, 3.0/7508=3...(5) HA VAL 50 - QD1 LEU 59 lone 6 59 - 10 - 6913/2.1=1, 6914/3.2=1 Peak 7016 from cnoeabs.peaks (2.27, 0.85, 26.09 ppm; 4.91 A): 5 out of 20 assignments used, quality = 0.75: HB2 CYS 87 + QD2 LEU 55 OK 48 100 - 49 - 3.6/7005=11, 3.0/7533=10...(10) HG2 GLU 56 + QD2 LEU 55 OK 25 78 - 32 - 3279/4.8=13, ~8500=6...(6) HB2 PRO 70 + QD2 LEU 55 OK 16 73 - 21 - ~6906=3, 1035/4.8=3...(9) HG3 GLU 94 + QD2 LEU 55 OK 13 100 - 13 - 4.9/8498=3, 3.0/3256=1 HB2 CYS 87 + QD1 LEU 59 OK 13 59 - 21 - 3.0/7533=4, ~7086=3...(6) HG3 GLU 38 - QD2 LEU 55 poor 9 65 - 13 - 4.0/7014=2, 4.9/3254=2...(5) HG2 GLU 38 - QD2 LEU 55 poor 8 63 - 13 - 4.0/7014=2, 4.9/3254=2...(5) HG2 GLU 94 - QD2 LEU 55 lone 6 60 - 10 - 4.9/8498=3, 3.0/3256=1 HG3 GLU 15 - QD2 LEU 55 lone 3 89 - 4 - HG2 GLU 56 - QD1 LEU 59 lone 3 39 - 7 - 4.9/256=3, 4.0/7017=1 HG3 GLN 105 - QD2 LEU 55 lone 2 93 - 2 - HG2 GLN 105 - QD2 LEU 55 lone 2 92 - 2 - HG3 GLU 94 - QD1 LEU 59 lone 2 59 - 4 - 4.9/464=1 HB2 PRO 70 - QD1 LEU 59 lone 2 36 - 4 - ~7264=1 HG3 GLU 15 - QD1 LEU 59 lone 1 47 - 2 - HG3 GLN 105 - QD1 LEU 59 lone 1 50 - 2 - HG2 GLN 105 - QD1 LEU 59 lone 1 49 - 2 - HG3 GLU 38 - QD1 LEU 59 lone 1 32 - 3 - HG2 GLU 94 - QD1 LEU 59 lone 1 29 - 3 - 4.9/464=1 HG2 GLU 38 - QD1 LEU 59 lone 1 30 - 3 - Peak 7017 from cnoeabs.peaks (4.14, 0.85, 26.09 ppm; 3.88 A): 7 out of 24 assignments used, quality = 0.75: HA PHE 83 + QD2 LEU 55 OK 32 100 - 32 - 8354=14, 3.7/7004=5...(6) HA GLU 56 + QD2 LEU 55 OK 21 73 - 29 - ~7018=5, ~255=4, ~254=4...(8) HA GLU 28 + QD2 LEU 55 OK 19 95 - 20 - 6562/2.1=3, 2307/2.1=2...(8) HA ILE 63 + QD2 LEU 55 OK 15 99 - 16 - 3504/2.1=4, 4.2/3259=2...(6) HA ILE 124 + QD2 LEU 55 OK 14 100 - 13 - 5337/2.1=1, 3.6/7005=1...(4) HA PRO 37 + QD2 LEU 55 OK 12 100 - 12 - 2670/4.0=2, 5996/4.6=1 HA ILE 124 + QD1 LEU 59 OK 11 58 - 19 - 5340/2.1=3, 8112/2.1=2...(8) HB2 SER 113 - QD2 LEU 55 lone 10 99 - 10 - 7932=2, 4.7/1357=2...(4) HA SER 78 - QD2 LEU 55 lone 5 76 - 7 - ~369=2, ~5729=1 HA GLU 56 - QD1 LEU 59 poor 5 36 - 14 - 7070/4.6=6, 2.9/256=3 HA PHE 83 - QD1 LEU 59 lone 5 59 - 8 - 8354=3 HB2 SER 113 - QD1 LEU 59 lone 4 56 - 7 - 7932=1 HA GLU 28 - QD1 LEU 59 lone 3 51 - 6 - ~100=1 HA ALA 98 - QD2 LEU 55 lone 3 99 - 3 - HA ILE 63 - QD1 LEU 59 lone 3 57 - 5 - HB3 SER 78 - QD2 LEU 55 lone 3 87 - 3 - HA PRO 37 - QD1 LEU 59 lone 3 59 - 5 - 7070/4.6=2 HA ALA 98 - QD1 LEU 59 lone 2 56 - 4 - HA ASN 108 - QD2 LEU 55 lone 2 100 - 2 - HB3 SER 72 - QD2 LEU 55 lone 1 99 - 1 - HA ASN 108 - QD1 LEU 59 lone 1 59 - 2 - HB3 SER 72 - QD1 LEU 59 lone 1 57 - 2 - HA SER 78 - QD1 LEU 59 lone 1 38 - 2 - HB3 SER 78 - QD1 LEU 59 lone 1 45 - 1 - Peak 7018 from cnoeabs.peaks (7.61, 0.94, 23.76 ppm; 4.37 A): 3 out of 12 assignments used, quality = 0.93: H GLU 56 + QD1 LEU 55 OK 84 96 - 88 - 4.8=75, 250/4.6=16...(11) H ARG 57 + QD1 LEU 55 OK 35 90 - 39 - 1638/4.6=10, 4.6/255=6...(9) H LYS 119 + QD1 LEU 55 OK 30 95 - 31 - 6077/4.0=4, 1383/2.1=4...(9) H LYS 119 - QD1 LEU 117 OK 20 53 - 38 - 1788/3.8=10, 8027/2.1=9...(8) H GLU 56 - QG2 VAL 49 OK 16 82 - 19 - 255=3, 3.6/3224=2...(8) H GLU 56 - QD1 LEU 117 OK 14 54 - 27 - 2.9/7029=3, 1035/3.1=3...(12) HD21 ASN 12 - QD1 LEU 55 OK 10 99 - 10 - 5628/3.1=2, 5632/2.1=2...(5) H ARG 57 - QD1 LEU 117 OK 10 49 - 20 - 7044/4.6=5, 261/3.1=3...(7) H LYS 119 - QG2 VAL 49 lone 7 81 - 9 - 8029/2.1=1, 4.6/7019=1 H ARG 57 - QG2 VAL 49 lone 7 76 - 9 - 4.6/255=1, 3.6/7029=1 HD21 ASN 12 - QD1 LEU 117 lone 3 59 - 4 - HD21 ASN 12 - QG2 VAL 49 lone 1 87 - 1 - Peak 7019 from cnoeabs.peaks (7.72, 0.94, 23.76 ppm; 4.05 A): 7 out of 21 assignments used, quality = 0.82: H ASN 118 + QD1 LEU 117 OK 30 51 - 60 - 599/3.1=14, 598/3.1=12...(11) H LEU 58 + QD1 LEU 55 OK 29 100 - 29 - 8639/4.0=8, 7052/2.1=5...(7) H ASN 118 + QD1 LEU 55 OK 22 92 - 24 - 8639/4.0=4, 7020/2.1=3...(7) H LEU 126 + QD1 LEU 55 OK 19 100 - 19 - 8128/3.1=4, 7020/2.1=3...(4) H LEU 126 + QG2 VAL 49 OK 19 89 - 21 - 1425/2.1=4, 1424=3...(7) H LEU 58 + QD1 LEU 117 OK 17 61 - 28 - 1467/4.6=6, 5910/2.1=4...(7) H SER 90 + QD1 LEU 55 OK 15 100 - 15 - 7020/2.1=3, 7570/3.1=3...(5) H ASN 118 - QG2 VAL 49 poor 10 78 - 13 - 601=2, 4.2/5142=2...(5) H SER 90 - QD1 LEU 117 poor 9 61 - 16 - 7567/2.1=4, 5907/3.1=2...(6) H LEU 126 - QD1 LEU 117 poor 9 60 - 15 - 1424=2, 5910/2.1=2...(7) H LEU 91 - QD1 LEU 55 poor 8 71 - 12 - 7020/2.1=2, 8639/4.0=2...(4) H LEU 111 - QD1 LEU 55 poor 8 78 - 11 - 1748/4.0=2, 4.6/7917=1 H LEU 91 - QD1 LEU 117 poor 8 36 - 23 - 5910/2.1=5, 5907/3.1=3...(8) H LEU 58 - QG2 VAL 49 lone 6 90 - 6 - 7052/2.1=1 H LEU 111 - QD1 LEU 117 poor 4 41 - 10 - 1751/3.8=3, 3.8/7914=2 HE21 GLN 103 - QD1 LEU 117 lone 4 54 - 7 - ~7999=2 HE21 GLN 103 - QD1 LEU 55 lone 4 96 - 4 - 8639/4.0=1 H LEU 111 - QG2 VAL 49 lone 3 65 - 5 - H SER 90 - QG2 VAL 49 lone 3 90 - 3 - H LEU 91 - QG2 VAL 49 lone 2 58 - 3 - HE21 GLN 103 - QG2 VAL 49 lone 1 82 - 1 - Peak 7020 from cnoeabs.peaks (7.73, 0.85, 26.09 ppm; 4.73 A): 10 out of 12 assignments used, quality = 0.94: H LEU 58 + QD2 LEU 55 OK 41 97 - 42 - 8639/4.0=11, 7052=8...(10) H ASN 118 + QD2 LEU 55 OK 32 100 - 32 - 8639/4.0=6, 7019/2.1=4...(10) H SER 90 + QD2 LEU 55 OK 30 97 - 31 - 3.8/7014=4, 7570/3.1=3...(14) H LEU 126 + QD2 LEU 55 OK 28 99 - 28 - 8128/3.1=6, 7019/2.1=3...(9) H ASN 118 + QD1 LEU 59 OK 26 58 - 44 - 271/4.6=8, 4.2/8007=5...(13) H LEU 91 + QD2 LEU 55 OK 22 93 - 24 - 4.4/7014=3, 8639/4.0=3...(9) H LEU 58 + QD1 LEU 59 OK 19 54 - 35 - 1467/4.6=14, 7052=6...(6) H LEU 126 + QD1 LEU 59 OK 15 56 - 27 - 1425/2.1=5, 271/4.6=3...(8) H SER 90 + QD1 LEU 59 OK 14 54 - 25 - 3.8/7579=3, 271/4.6=3...(9) H LEU 91 + QD1 LEU 59 OK 11 50 - 22 - 4.4/7579=3, 4.4/7575=2...(6) HE21 GLN 103 - QD2 LEU 55 lone 4 76 - 5 - 8639/4.0=1 HE21 GLN 103 - QD1 LEU 59 lone 1 38 - 4 - 271/4.6=1 Peak 7022 from cnoeabs.peaks (1.61, 4.17, 57.27 ppm; 4.74 A): 4 out of 19 assignments used, quality = 0.93: HG12 ILE 63 + HA GLU 56 OK 72 99 - 73 - 7133/2.9=16, ~7132=12...(27) HG2 ARG 53 + HA GLU 56 OK 48 100 - 48 - 1.8/8430=6, 7021/2.9=6...(19) HG3 ARG 81 + HA GLU 56 OK 30 60 - 51 - 2.9/6114=8, 2.9/3263=5...(26) HG2 ARG 81 + HA GLU 56 OK 30 60 - 51 - 2.9/6114=8, 2.9/3263=5...(26) HB2 LEU 59 - HA GLU 56 OK 23 92 - 25 - 3.7/7070=15, 7021/2.9=2...(5) HG2 ARG 57 - HA GLU 56 OK 21 60 - 36 - 5.1/3261=9, 3.0/3264=3...(16) HD3 LYS 119 - HA GLU 56 OK 15 96 - 16 - 5240/3.6=3, 7021/2.9=2...(5) HD2 LYS 119 - HA GLU 56 OK 15 95 - 16 - 5240/3.6=3, 7021/2.9=2...(5) HD3 LYS 31 - HA GLU 56 OK 10 96 - 11 - ~253=2, 7021/2.9=2...(4) HD2 LYS 31 - HA GLU 56 OK 10 96 - 11 - ~253=2, 7021/2.9=2...(4) HD3 LYS 32 - HA GLU 56 lone 8 100 - 8 - HD2 LYS 32 - HA GLU 56 lone 8 100 - 8 - HB3 LEU 126 - HA GLU 56 lone 8 99 - 8 - HB2 LEU 126 - HA GLU 56 lone 8 99 - 8 - HG LEU 126 - HA GLU 56 lone 6 93 - 7 - HG LEU 101 - HA GLU 56 lone 5 97 - 5 - HG2 PRO 30 - HA GLU 56 lone 5 100 - 5 - HG LEU 51 - HA GLU 56 lone 4 71 - 6 - 5.1/8302=2 HB3 GLN 42 - HA GLU 56 lone 3 65 - 4 - Peak 7023 from cnoeabs.peaks (3.91, 4.17, 57.27 ppm; 4.66 A): 4 out of 15 assignments used, quality = 0.94: HA ARG 53 + HA GLU 56 OK 54 85 - 64 - 6065/2.9=21, 6068/3.0=9...(18) HD2 PRO 68 + HA GLU 56 OK 51 99 - 51 - 3.0/3265=6, 3.0/3738=5...(22) HD3 PRO 68 + HA GLU 56 OK 50 99 - 51 - 3.0/3265=6, 3.0/3738=5...(23) HB THR 62 + HA GLU 56 OK 46 99 - 47 - 3.9/8299=19, 4.4/8302=11...(10) HB2 SER 112 - HA GLU 56 OK 18 93 - 19 - 1640/3.6=3, 1635/2.9=3...(8) HB3 SER 112 - HA GLU 56 OK 17 90 - 19 - 1640/3.6=3, 1635/2.9=3...(8) HB3 ASN 79 - HA GLU 56 OK 11 76 - 15 - ~250=3, 1635/2.9=2...(7) HA ILE 34 - HA GLU 56 lone 6 100 - 6 - HB THR 95 - HA GLU 56 lone 6 89 - 6 - 1640/3.6=1 HA2 GLY 2 - HA GLU 56 lone 4 100 - 4 - HA3 GLY 2 - HA GLU 56 lone 4 100 - 4 - HA ARG 85 - HA GLU 56 lone 3 71 - 4 - HA ALA 43 - HA GLU 56 lone 2 93 - 2 - HA THR 23 - HA GLU 56 lone 2 63 - 2 - HA2 GLY 25 - HA GLU 56 lone 1 63 - 2 - Peak 7024 from cnoeabs.peaks (4.47, 4.17, 57.27 ppm; 3.84 A): 2 out of 6 assignments used, quality = 0.71: HA PRO 60 + HA GLU 56 OK 60 100 - 60 - 3.5/8301=19, 2.3/3266=10...(20) HA PRO 70 + HA GLU 56 OK 27 92 - 30 - 3.6/8322=5, 2.3/3265=5...(12) HA ARG 71 - HA GLU 56 lone 6 92 - 6 - ~331=1 HA SER 113 - HA GLU 56 lone 6 60 - 9 - 3.0/5633=2, 5044/3.6=1 HA SER 90 - HA GLU 56 lone 4 100 - 4 - HA LEU 101 - HA GLU 56 lone 2 76 - 2 - Peak 7025 from cnoeabs.peaks (0.77, 2.25, 35.00 ppm; 5.09 A): 4 out of 6 assignments used, quality = 0.86: QG2 ILE 63 + HG2 GLU 56 OK 76 99 - 77 - 7026/1.8=23, 3.2/8501=10...(32) QG2 VAL 66 + HG2 GLU 56 OK 19 99 - 19 - 7026/1.8=6, 8509=3...(4) QD2 LEU 93 + HG2 GLU 56 OK 18 96 - 19 - 7026/1.8=5, 7030/4.9=3...(8) HG LEU 111 + HG2 GLU 56 OK 14 90 - 15 - 7026/1.8=4, 7030/4.9=2 QD1 LEU 84 - HG2 GLU 56 lone 8 85 - 9 - 7026/1.8=2, 7030/4.9=2 QD1 LEU 91 - HG2 GLU 56 lone 7 76 - 10 - 7026/1.8=2, 7030/4.9=2 Peak 7026 from cnoeabs.peaks (0.77, 2.31, 35.00 ppm; 4.92 A): 4 out of 6 assignments used, quality = 0.86: QG2 ILE 63 + HG3 GLU 56 OK 76 99 - 77 - 7025/1.8=20, 3.2/8500=12...(32) QG2 VAL 66 + HG3 GLU 56 OK 20 99 - 21 - 8436=5, 7025/1.8=5...(4) QD2 LEU 93 + HG3 GLU 56 OK 16 96 - 17 - 7025/1.8=5, 7030/4.9=3...(4) HG LEU 111 + HG3 GLU 56 OK 12 90 - 13 - 7025/1.8=4, 7030/4.9=2, ~7908=1 QD1 LEU 84 - HG3 GLU 56 lone 8 85 - 9 - 7025/1.8=2, 7030/4.9=1 QD1 LEU 91 - HG3 GLU 56 lone 6 76 - 8 - 7025/1.8=2, 7030/4.9=2 Peak 7027 from cnoeabs.peaks (0.92, 2.04, 29.53 ppm; 4.61 A): 5 out of 44 assignments used, quality = 0.95: QD1 ILE 63 + HB2 GLU 56 OK 63 89 - 71 - 7029/3.0=9, ~7026=8...(31) QD1 ILE 63 + HB3 ARG 81 OK 55 79 - 70 - 3533/4.3=9, 8647/3.5=7...(36) QD1 ILE 63 + HB3 ARG 53 OK 39 51 - 75 - 8310/1.8=14, 7126/4.0=9...(29) QD1 LEU 55 + HB2 GLU 56 OK 37 97 - 38 - 4.8/3267=11, 7029/3.0=6...(11) QD1 LEU 117 + HB2 GLU 56 OK 30 92 - 32 - 7029/3.0=3, 6909=3...(18) HB2 GLN 42 - HB3 ARG 81 OK 25 91 - 28 - 2828/3.5=5, 6774/5.0=4...(9) QG2 VAL 49 - HB3 ARG 53 OK 23 64 - 36 - ~6903=7, 2.1/8492=7...(9) QD1 LEU 55 - HB3 ARG 53 OK 20 59 - 34 - 4.8/1033=4, ~3132=3...(15) QD1 LEU 41 - HB3 ARG 53 OK 17 62 - 28 - 2812/4.0=4, ~2809=4...(11) QD1 LEU 41 - HB3 GLU 38 OK 17 40 - 41 - ~6008=7, ~6005=6...(14) QD1 LEU 117 - HB3 ARG 81 OK 16 82 - 19 - ~5166=3, ~5145=2...(7) QG2 VAL 115 - HB2 GLU 56 OK 15 100 - 15 - 7980/3.7=4, 7980/4.6=4...(4) QG2 VAL 49 - HB2 GLU 56 OK 12 100 - 12 - 7018/3.7=2, 7029/3.0=2...(4) QD2 LEU 27 - HB2 GLU 56 OK 12 100 - 12 - 7029/3.0=2, 255/3.7=2...(4) QD1 ILE 63 - HB3 GLU 38 OK 12 33 - 37 - 7127/4.4=4, ~6709=3...(17) QG2 ILE 22 - HB3 ARG 81 OK 12 94 - 12 - 7457/4.3=1, 2156/1.8=1 QD1 LEU 27 - HB2 GLU 56 OK 11 100 - 11 - 255/3.7=2, 7029/3.0=2...(5) QD1 LEU 55 - HB3 ARG 81 OK 11 88 - 13 - 4.8/3267=2, 7457/4.3=1 QD2 LEU 27 - HB3 ARG 81 OK 11 94 - 11 - 7457/4.3=3, 6525/1.8=1 QD2 LEU 27 - HB3 GLU 38 poor 10 43 - 23 - 6708/3.0=4, ~6007=3...(10) QD1 LEU 27 - HB3 ARG 81 poor 10 93 - 10 - 7457/4.3=3 QG2 ILE 22 - HB2 GLU 56 lone 9 100 - 9 - 255/3.7=2, 7029/3.0=2 QD1 LEU 27 - HB3 GLU 38 poor 9 43 - 21 - ~6007=3, 6708/3.0=3...(10) HB2 GLN 42 - HB3 ARG 53 poor 8 62 - 14 - ~6799=2, 2831/1.8=1, 6961/4.0=1 QD1 LEU 41 - HB2 GLU 56 lone 8 99 - 8 - 255/3.7=2, 7029/3.0=1 QG2 ILE 22 - HB3 ARG 53 poor 7 65 - 11 - ~8427=2, 2158/3.0=1, ~2144=1 HB2 GLN 42 - HB3 GLU 38 poor 7 41 - 18 - 6708/3.0=4, ~6007=3...(6) QG2 VAL 49 - HB3 ARG 81 lone 7 93 - 7 - QD1 LEU 126 - HB3 ARG 53 poor 7 53 - 13 - ~3133=1, 6961/4.0=1...(4) QD1 LEU 55 - HB3 GLU 38 poor 7 38 - 17 - ~7014=2, ~6005=2...(10) QD1 LEU 41 - HB3 ARG 81 lone 6 91 - 7 - 7457/4.3=1, ~6755=1 QD2 LEU 27 - HB3 ARG 53 lone 6 65 - 10 - 6524/3.0=2, 6533/4.7=1 QD1 LEU 126 - HB3 ARG 81 lone 6 80 - 7 - QD1 LEU 27 - HB3 ARG 53 lone 6 65 - 9 - ~6524=1, 2812/4.0=1 QD1 LEU 117 - HB3 ARG 53 poor 6 54 - 11 - 6961/4.0=1 QD1 LEU 117 - HB3 GLU 38 poor 6 35 - 16 - 6712/3.0=2, 6712/3.0=2...(5) QG2 VAL 115 - HB3 ARG 81 lone 6 94 - 6 - 7457/4.3=2 HB2 GLN 42 - HB2 GLU 56 lone 4 99 - 4 - QG2 ILE 22 - HB3 GLU 38 lone 4 43 - 10 - 6428/4.4=3, 6708/3.0=1...(4) QD1 LEU 126 - HB2 GLU 56 lone 4 90 - 4 - QG2 VAL 115 - HB3 GLU 38 lone 4 43 - 9 - 7972/3.0=3 QG2 VAL 49 - HB3 GLU 38 lone 4 42 - 9 - 6708/3.0=1, 6730/4.4=1 QG2 VAL 115 - HB3 ARG 53 lone 3 65 - 5 - 7973/3.0=1 QD1 LEU 126 - HB3 GLU 38 lone 1 34 - 3 - Peak 7028 from cnoeabs.peaks (0.76, 2.04, 29.53 ppm; 4.55 A): 3 out of 28 assignments used, quality = 0.97: QG2 ILE 63 + HB2 GLU 56 OK 74 99 - 75 - 7026/3.0=14, 7025/3.0=13...(31) QD1 LEU 84 + HB3 ARG 81 OK 69 91 - 76 - 7433/3.0=14, ~7434=11...(24) QG2 ILE 63 + HB3 ARG 81 OK 67 92 - 73 - 3512/4.3=10, 7433/3.0=9...(38) QG2 ILE 63 - HB3 ARG 53 OK 43 63 - 68 - 7138/1.8=14, 6962/4.0=8...(26) HG LEU 111 - HB3 GLU 38 OK 21 42 - 50 - ~6713=8, 6709/3.0=7...(17) HG LEU 111 - HB3 ARG 81 OK 20 93 - 22 - 7433/3.0=4, 7431/4.0=3...(9) QG2 ILE 63 - HB3 GLU 38 OK 16 41 - 40 - 6709/3.0=6, 7139/1.8=4...(21) QD2 LEU 93 - HB2 GLU 56 OK 16 100 - 16 - 7030/3.7=3, 7025/3.0=3...(4) QG2 VAL 66 - HB3 ARG 81 OK 16 77 - 21 - 7456/4.3=4, 7189/3.5=2...(9) QD2 LEU 93 - HB3 ARG 81 OK 15 94 - 16 - 7433/3.0=4, ~7607=3...(4) QG2 VAL 66 - HB2 GLU 56 OK 14 87 - 16 - 7026/3.0=4, 7025/3.0=3...(4) HG LEU 111 - HB2 GLU 56 OK 14 100 - 14 - 7030/3.7=3, 7025/3.0=2 QD2 LEU 111 - HB3 GLU 38 OK 14 28 - 50 - ~6713=9, ~7910=6...(17) QG2 VAL 66 - HB3 ARG 53 OK 13 50 - 26 - 7189/3.6=3, 7187/3.0=3...(10) QD2 LEU 111 - HB3 ARG 81 OK 10 68 - 15 - 7433/3.0=3, ~7433=3...(4) QD1 LEU 84 - HB2 GLU 56 lone 10 99 - 10 - 7030/3.7=2, 7026/3.0=1 QD1 LEU 91 - HB3 ARG 81 poor 9 88 - 11 - 7433/3.0=2, 7431/4.0=2...(5) QD2 LEU 93 - HB3 GLU 38 poor 9 43 - 22 - 6709/3.0=5, 5805/3.8=2...(9) QD2 LEU 111 - HB2 GLU 56 poor 9 78 - 12 - ~7025=2, 7030/3.7=2, ~7026=2 QD1 LEU 91 - HB2 GLU 56 lone 8 97 - 8 - 7030/3.7=2, 7025/3.0=1 QD2 LEU 93 - HB3 ARG 53 poor 7 65 - 12 - 6962/4.0=6, 7604/1.8=1 QD1 LEU 91 - HB3 ARG 53 poor 6 59 - 10 - 6962/4.0=2, 4409/1.8=1 HG LEU 111 - HB3 ARG 53 lone 6 64 - 9 - 6962/4.0=3 QD1 LEU 91 - HB3 GLU 38 poor 5 38 - 14 - 6709/3.0=3, ~7587=2...(4) QG2 VAL 66 - HB3 GLU 38 poor 4 32 - 13 - 7196/4.4=3, 6709/3.0=2...(5) QD2 LEU 111 - HB3 ARG 53 lone 3 44 - 8 - 6962/4.0=2, ~7901=1 QD1 LEU 84 - HB3 ARG 53 lone 3 62 - 5 - 6962/4.0=2 QD1 LEU 84 - HB3 GLU 38 lone 2 41 - 6 - 6709/3.0=2 Peak 7029 from cnoeabs.peaks (0.93, 4.17, 57.27 ppm; 4.82 A): 3 out of 12 assignments used, quality = 0.91: QD1 ILE 63 + HA GLU 56 OK 77 97 - 80 - 7129/3.6=12, ~7132=11...(32) QD1 LEU 55 + HA GLU 56 OK 48 100 - 48 - 7018/2.9=13, ~252=6...(12) QD1 LEU 117 + HA GLU 56 OK 26 81 - 33 - 4.6/8300=7, 3.1/3265=3...(13) QG2 VAL 115 - HA GLU 56 OK 20 99 - 21 - 7980/3.6=5, 7980/2.9=5...(6) QG2 ILE 22 - HA GLU 56 OK 16 99 - 16 - 255/2.9=3, ~256=2...(4) QD2 LEU 27 - HA GLU 56 OK 14 99 - 14 - 255/2.9=2, 8501/4.0=1...(6) QG2 VAL 49 - HA GLU 56 OK 13 97 - 13 - 7018/2.9=2, 6908=1...(4) QD1 LEU 27 - HA GLU 56 OK 13 100 - 13 - 255/2.9=2, ~255=1...(5) QD1 LEU 41 - HA GLU 56 OK 11 100 - 11 - 255/2.9=2, ~5628=1, 8501/4.0=1 QG2 ILE 124 - HA GLU 56 poor 8 63 - 12 - 4.4/8299=2, 7095/8299=1 QD1 LEU 126 - HA GLU 56 lone 6 78 - 7 - HB2 GLN 42 - HA GLU 56 lone 5 95 - 5 - Peak 7034 from cnoeabs.peaks (0.63, 2.07, 29.15 ppm; 4.37 A): 2 out of 10 assignments used, quality = 0.97: QG2 VAL 26 + HB2 ARG 57 OK 87 100 - 87 - 7036/1.8=14, 7042/3.5=12...(28) QG1 VAL 26 + HB2 ARG 57 OK 75 90 - 83 - 7036/1.8=14, 8220/3.0=12...(24) QD1 LEU 51 - HB2 ARG 57 OK 33 99 - 33 - 7032/3.7=6, 7036/1.8=5...(10) QD1 LEU 21 - HB2 ARG 57 OK 32 68 - 48 - 2.1/8503=7, ~8502=7...(20) QG2 VAL 26 - HB3 GLU 38 OK 24 95 - 26 - 6510/3.0=6, ~6506=3...(7) QG1 VAL 26 - HB3 GLU 38 OK 21 83 - 26 - 6506/3.0=5, 8235/3.8=4...(8) QD1 LEU 45 - HB2 ARG 57 OK 19 89 - 21 - 7039/3.0=3, 7036/1.8=2...(7) QD1 LEU 21 - HB3 GLU 38 OK 11 61 - 18 - ~6420=2, 2.1/8503=2...(6) QD1 LEU 45 - HB3 GLU 38 lone 6 81 - 7 - 6849/6726=2 QD1 LEU 51 - HB3 GLU 38 lone 5 94 - 6 - Peak 7035 from cnoeabs.peaks (0.61, 4.11, 56.72 ppm; 4.63 A): 2 out of 9 assignments used, quality = 0.96: QG1 VAL 26 + HA ARG 57 OK 81 100 - 81 - 6504=14, 7032/3.0=14...(22) QG2 VAL 26 + HA ARG 57 OK 81 97 - 83 - 7032/3.0=13, 7036/3.0=13...(24) QD1 LEU 51 - HA ARG 57 OK 33 99 - 33 - 7032/3.0=7, 7036/3.0=4...(11) QD1 LEU 51 - HA ALA 98 poor 9 62 - 15 - 3104/2.1=3, ~3097=2...(6) QG1 VAL 26 - HA ALA 98 lone 6 64 - 9 - 6504=1, 7403/7410=1, 4.0/92=1 QG2 VAL 26 - HA ALA 98 lone 5 59 - 9 - 2.1/6504=1, 4.0/92=1 QG1 VAL 26 - HA ASN 108 lone 2 42 - 5 - QG2 VAL 26 - HA ASN 108 lone 2 39 - 5 - QD1 LEU 51 - HA ASN 108 lone 2 40 - 4 - Peak 7036 from cnoeabs.peaks (0.62, 1.81, 29.15 ppm; 4.10 A): 2 out of 8 assignments used, quality = 0.96: QG2 VAL 26 + HB3 ARG 57 OK 81 100 - 81 - 7043/3.5=12, 7042/3.5=11...(26) QG1 VAL 26 + HB3 ARG 57 OK 80 99 - 82 - 7043/3.5=12, 8218=12...(25) QD1 LEU 51 - HB3 ARG 57 OK 28 100 - 28 - 7032/3.7=5, 7035/3.0=4...(10) QG1 VAL 26 - HB3 GLU 56 OK 16 42 - 37 - 8232/3.7=9, 7032/4.6=8...(9) QD1 LEU 45 - HB3 ARG 57 OK 12 71 - 17 - 7034/1.8=2, 7040/3.0=2...(8) QG2 VAL 26 - HB3 GLU 56 OK 12 44 - 28 - 7032/4.6=7, ~8217=4...(7) QD1 LEU 51 - HB3 GLU 56 lone 4 45 - 8 - 7032/4.6=4 QD1 LEU 45 - HB3 GLU 56 lone 1 26 - 2 - 7032/4.6=1 Peak 7037 from cnoeabs.peaks (0.97, 1.81, 29.15 ppm; 4.99 A): 6 out of 16 assignments used, quality = 0.85: QD1 ILE 63 + HB3 ARG 57 OK 51 63 - 82 - 2.1/3524=8, 7129/3.7=8...(39) QD1 LEU 101 + HB3 ARG 57 OK 29 89 - 33 - 7031/3.7=4, 4674/1.8=2...(14) QD2 LEU 58 + HB3 ARG 57 OK 29 71 - 41 - 4.8/266=14, 7031/3.7=7...(11) QG2 ILE 124 + HB3 ARG 57 OK 17 97 - 18 - 5352/3.0=1 QD1 ILE 63 + HB3 GLU 56 OK 16 22 - 71 - ~7026=10, ~7025=9...(33) QG1 VAL 18 + HB3 ARG 57 OK 14 90 - 16 - 2.1/8400=3, 7031/3.7=2...(6) HG3 LYS 65 - HB3 ARG 57 lone 8 96 - 8 - 7031/3.7=1 HG2 LYS 65 - HB3 ARG 57 lone 8 96 - 8 - 7031/3.7=1 QG2 THR 95 - HB3 ARG 57 lone 6 99 - 6 - 7619/4.9=2, 7031/3.7=1 QD2 LEU 58 - HB3 GLU 56 poor 3 26 - 13 - 7031/4.6=6, 4.8/266=3...(4) QG2 ILE 124 - HB3 GLU 56 lone 3 40 - 7 - QG2 THR 95 - HB3 GLU 56 lone 3 43 - 7 - 8530/3.0=1 QG1 VAL 18 - HB3 GLU 56 lone 3 36 - 7 - 7031/4.6=2 QD1 LEU 101 - HB3 GLU 56 lone 2 35 - 7 - 7031/4.6=3 HG2 LYS 65 - HB3 GLU 56 lone 1 40 - 3 - HG3 LYS 65 - HB3 GLU 56 lone 1 40 - 3 - Peak 7038 from cnoeabs.peaks (1.01, 4.11, 56.72 ppm; 4.64 A): 8 out of 27 assignments used, quality = 0.86: QD1 LEU 58 + HA ARG 57 OK 41 99 - 41 - 3382/3.6=14, 7031/3.0=7...(12) QD2 LEU 58 + HA ARG 57 OK 37 93 - 40 - 1051/3.6=14, 7031/3.0=8...(11) QD1 LEU 101 + HA ARG 57 OK 20 78 - 25 - 7031/3.0=5, 1050/3.6=2...(7) QD2 LEU 101 + HA ARG 57 OK 17 73 - 24 - ~7031=3, ~7037=3, 7717=2...(9) QG1 VAL 120 + HA ARG 57 OK 17 76 - 22 - 8069/3.0=6, ~8041=5...(5) HB3 LEU 27 + HA ARG 57 OK 15 100 - 15 - 1051/3.6=3, 7031/3.0=3...(5) QG1 VAL 18 + HA ARG 57 OK 11 76 - 14 - 1050/3.6=2, 7031/3.0=2...(6) QD1 LEU 101 + HA ALA 98 OK 10 43 - 25 - 4.7/1729=5, 2.1/7717=4...(9) QD2 LEU 101 - HA ALA 98 poor 9 40 - 23 - 4.7/1729=5, 7717=3...(9) HB3 LEU 27 - HA ALA 98 lone 6 64 - 9 - 2278/2.1=1 QD1 LEU 101 - HA ASN 108 poor 6 27 - 21 - 7724/3.6=8, 4.7/1729=4...(5) HG2 LYS 65 - HA ARG 57 lone 5 65 - 7 - 7031/3.0=1 HG3 LYS 65 - HA ARG 57 lone 5 65 - 7 - 7031/3.0=1 QD1 LEU 58 - HA ALA 98 lone 4 62 - 7 - QD2 LEU 101 - HA ASN 108 poor 3 25 - 13 - 4.7/1729=4, 4679/4.3=2...(4) QD2 LEU 58 - HA ALA 98 lone 3 55 - 6 - QG1 VAL 120 - HA ALA 98 lone 3 41 - 6 - ~7564=1 QG1 VAL 18 - HA ALA 98 lone 2 41 - 6 - 2.1/8392=1 QD1 LEU 58 - HA ASN 108 lone 2 41 - 5 - QD2 LEU 58 - HA ASN 108 lone 2 36 - 5 - HG2 LYS 65 - HA ALA 98 lone 1 35 - 4 - HG3 LYS 65 - HA ALA 98 lone 1 35 - 4 - HB3 LEU 27 - HA ASN 108 lone 1 42 - 3 - QG1 VAL 120 - HA ASN 108 lone 1 26 - 5 - ~6277=1 QG1 VAL 18 - HA ASN 108 lone 1 26 - 4 - 2.1/8392=1 HG3 LYS 65 - HA ASN 108 lone 1 22 - 5 - HG2 LYS 65 - HA ASN 108 lone 1 22 - 5 - Peak 7039 from cnoeabs.peaks (0.64, 1.47, 27.21 ppm; 3.78 A): 5 out of 5 assignments used, quality = 0.91: QG2 VAL 26 + HG3 ARG 57 OK 63 87 - 73 - 7040/1.8=9, ~8220=8...(24) QD2 LEU 24 + HG3 ARG 57 OK 50 83 - 61 - ~7041=16, 6469/2.9=11...(18) QD1 LEU 21 + HG3 ARG 57 OK 31 97 - 32 - ~8502=6, 2130/3.0=4...(11) QD1 LEU 45 + HG3 ARG 57 OK 16 100 - 16 - 2915=2, 8551/3.5=2...(4) QD1 LEU 51 + HG3 ARG 57 OK 13 81 - 16 - 7040/1.8=3, 7032/5.1=2...(8) Peak 7040 from cnoeabs.peaks (0.63, 1.58, 27.21 ppm; 3.81 A): 2 out of 15 assignments used, quality = 0.94: QG2 VAL 26 + HG2 ARG 57 OK 78 100 - 78 - 2.1/8220=12, 7043/2.9=11...(24) QG1 VAL 26 + HG2 ARG 57 OK 71 93 - 77 - 8220=12, 7043/2.9=11...(23) QD1 LEU 51 - HG2 ARG 57 OK 23 100 - 22 - 7042/2.9=3, 7036/3.0=3...(8) QD1 LEU 21 - HG2 ARG 57 OK 21 63 - 33 - 2.1/8502=8, 7039/1.8=5...(11) QD1 LEU 45 - HG2 ARG 57 OK 13 85 - 15 - 7039/1.8=3, 7042/2.9=1...(5) QD1 LEU 45 - HG12 ILE 124 poor 9 41 - 23 - ~8269=4, 2912/4.9=3...(11) QG2 VAL 26 - HG LEU 126 poor 8 78 - 11 - 2.1/8220=2 QG1 VAL 26 - HG LEU 126 poor 8 68 - 12 - 8220=2 QD1 LEU 21 - HG LEU 126 lone 2 42 - 6 - 2.1/8502=1 QG2 VAL 26 - HG12 ILE 124 lone 2 55 - 4 - QG1 VAL 26 - HG12 ILE 124 lone 2 47 - 4 - QD1 LEU 51 - HG LEU 126 lone 1 77 - 2 - QD1 LEU 21 - HG12 ILE 124 lone 1 28 - 4 - ~8121=2 QD1 LEU 51 - HG12 ILE 124 lone 1 55 - 2 - QD1 LEU 45 - HG LEU 126 lone 1 60 - 1 - Peak 7041 from cnoeabs.peaks (0.06, 1.58, 27.21 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.69: QD1 LEU 24 + HG2 ARG 57 OK 69 100 - 69 - ~6469=12, ~7039=9...(21) QD1 LEU 24 - HG12 ILE 124 poor 6 55 - 11 - 2232/1.8=2, ~2218=1, ~2225=1 QD1 LEU 24 - HG LEU 126 lone 4 78 - 5 - 6993/8502=1 Peak 7042 from cnoeabs.peaks (0.62, 3.31, 41.83 ppm; 4.22 A): 2 out of 4 assignments used, quality = 0.96: QG2 VAL 26 + HD2 ARG 57 OK 80 100 - 81 - 7043/1.8=17, ~7043=12...(24) QG1 VAL 26 + HD2 ARG 57 OK 79 98 - 80 - 7043/1.8=18, 8220/2.9=12...(24) QD1 LEU 51 - HD2 ARG 57 OK 25 100 - 25 - 7043/1.8=5, 7036/3.5=3...(9) QD1 LEU 45 - HD2 ARG 57 OK 11 73 - 15 - 7039/2.9=2, 7040/2.9=2...(6) Peak 7043 from cnoeabs.peaks (0.61, 3.12, 41.83 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.95: QG1 VAL 26 + HD3 ARG 57 OK 80 100 - 80 - 6507=14, 7042/1.8=14...(25) QG2 VAL 26 + HD3 ARG 57 OK 76 97 - 78 - 7042/1.8=14, 2.1/6507=12...(24) QD1 LEU 51 - HD3 ARG 57 OK 22 99 - 22 - 7042/1.8=4, 7036/3.5=3...(7) Peak 7045 from cnoeabs.peaks (7.26, 3.31, 41.83 ppm; 4.28 A): 1 out of 6 assignments used, quality = 1.00: HE ARG 57 + HD2 ARG 57 OK 100 100 - 100 - 2.9=100 H VAL 26 - HD2 ARG 57 OK 45 97 - 46 - 4.0/7042=11, 4.0/7042=10...(11) QD PHE 96 - HD2 ARG 57 OK 35 95 - 37 - 4819/1.8=10, ~7047=4...(13) QE PHE 96 - HD2 ARG 57 OK 34 93 - 37 - ~4819=7, 7047/1.8=7...(13) HD1 TRP 20 - HD2 ARG 57 lone 3 68 - 5 - 4629/6469=2 HE ARG 71 - HD2 ARG 57 lone 3 100 - 3 - Peak 7046 from cnoeabs.peaks (6.72, 3.31, 41.83 ppm; 4.85 A): 0 out of 1 assignment used, low quality = 0.14: HE22 GLN 16 - HD2 ARG 57 OK 14 99 - 14 - 730/3.5=3, ~722=2...(5) Peak 7047 from cnoeabs.peaks (7.25, 3.12, 41.83 ppm; 3.97 A): 1 out of 5 assignments used, quality = 0.98: HE ARG 57 + HD3 ARG 57 OK 98 98 - 100 - 2.9=100 H VAL 26 - HD3 ARG 57 OK 42 100 - 42 - 4.0/7043=10, 4.0/7043=10...(11) QE PHE 96 - HD3 ARG 57 OK 35 98 - 35 - 2.2/4819=8, 7045/1.8=5...(13) QD PHE 96 - HD3 ARG 57 OK 33 87 - 39 - 4819=8, 7045/1.8=5...(14) HE ARG 71 - HD3 ARG 57 lone 3 100 - 3 - Peak 7048 from cnoeabs.peaks (6.78, 0.99, 21.76 ppm; 4.78 A): 4 out of 14 assignments used, quality = 0.94: HH2 TRP 20 + QD2 LEU 58 OK 74 96 - 78 - ~7049=25, 7050/2.1=21...(11) H VAL 110 + QD2 LEU 58 OK 54 99 - 54 - 7050/2.1=14, 552/2.1=7...(12) H LEU 27 + QD2 LEU 58 OK 35 73 - 48 - 3.0/8748=8, ~8749=6...(16) HH2 TRP 20 + QG1 VAL 18 OK 24 85 - 28 - 2.5/6353=7, 5.0/8504=6...(5) HE21 GLN 42 - QD2 LEU 58 OK 24 89 - 27 - 6789=4, 1.7/6792=3...(11) H VAL 110 - QG1 VAL 18 OK 21 89 - 23 - 7884/2.1=7, 1747/4.3=4...(5) H LEU 27 - QG1 VAL 18 OK 19 63 - 30 - 8394/2.1=7, 4.4/2300=4...(9) HE21 GLN 42 - QG1 VAL 18 OK 18 78 - 24 - 8394/2.1=4, 6789=4...(8) HZ PHE 107 - QG1 VAL 18 OK 15 55 - 28 - 8394/2.1=7, ~4793=6...(5) QE TYR 67 - QD2 LEU 58 OK 12 99 - 12 - 7050/2.1=3 QE TYR 67 - QG1 VAL 18 OK 11 90 - 12 - ~6350=3, 8394/2.1=2 HZ PHE 107 - QD2 LEU 58 poor 10 65 - 15 - 2.2/7820=3, 3.8/4807=2, ~7820=1 HD22 ASN 99 - QD2 LEU 58 lone 5 85 - 5 - HD22 ASN 99 - QG1 VAL 18 lone 4 74 - 5 - 8394/2.1=2 Peak 7049 from cnoeabs.peaks (7.32, 1.00, 25.81 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.78: HZ2 TRP 20 + QD1 LEU 58 OK 76 98 - 77 - 6353/2.1=20, 2.8/8505=19...(15) HZ PHE 40 + QD1 LEU 58 OK 11 63 - 17 - 6353/2.1=3, ~6348=3...(6) Peak 7050 from cnoeabs.peaks (6.79, 1.00, 25.81 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.88: HH2 TRP 20 + QD1 LEU 58 OK 74 100 - 74 - 2.5/7049=31, 5.0/8505=14...(14) H VAL 110 + QD1 LEU 58 OK 47 99 - 48 - 3.6/7060=8, 552/2.1=6...(14) QE TYR 67 + QD1 LEU 58 OK 11 99 - 11 - 6978/7065=2, 2087/7049=1 Peak 7051 from cnoeabs.peaks (8.29, 0.99, 21.76 ppm; 4.54 A): 6 out of 8 assignments used, quality = 0.83: H TRP 20 + QG1 VAL 18 OK 42 89 - 47 - 1434/4.3=19, 1554/4.0=13...(7) H ILE 22 + QD2 LEU 58 OK 28 92 - 30 - 5.0/6365=5, 4.9/8420=3...(11) H TRP 20 + QD2 LEU 58 OK 26 98 - 27 - 7.5/8504=8, 4.6/50=5...(6) H ILE 22 + QG1 VAL 18 OK 26 81 - 32 - 5978/3.2=11, 1434/4.3=4...(8) H CYS 87 + QG1 VAL 18 OK 14 76 - 18 - 5978/3.2=5, 426/4.0=2...(4) H GLU 69 + QG1 VAL 18 OK 13 63 - 20 - 7243/3.2=5, 4.8/2002=4...(6) H GLU 69 - QD2 LEU 58 poor 8 73 - 11 - 3.0/8748=2, 324/3.1=1...(4) H CYS 87 - QD2 LEU 58 lone 8 87 - 9 - Peak 7055 from cnoeabs.peaks (0.77, 4.25, 56.62 ppm; 4.19 A): 9 out of 24 assignments used, quality = 0.93: QG2 ILE 63 + HA GLU 64 OK 68 75 - 90 - 5665/2.9=34, 7145=27...(24) QD2 LEU 93 + HA GLU 94 OK 27 55 - 49 - 463/3.0=10, ~461=9...(11) QD2 LEU 93 + HA LEU 58 OK 25 89 - 28 - 3.1/8305=4, 2.1/3350=2...(13) QG2 ILE 63 + HA LEU 58 OK 20 97 - 20 - 7145=5, 4.3/1074=4...(7) HG LEU 111 + HA LEU 58 OK 14 81 - 18 - 3.0/8305=3, ~5018=2...(7) QG2 VAL 66 + HA GLU 64 OK 14 82 - 17 - 7199/3.6=7, 295/2.9=4...(6) QD1 LEU 91 + HA LEU 58 OK 13 63 - 21 - 8373/4.0=2, ~4400=2...(8) QD1 LEU 111 + HA LEU 58 OK 13 71 - 18 - 3.1/8305=3, 5018/3.0=2...(8) QG2 ILE 63 + HA GLU 94 OK 11 63 - 17 - 7145=4, 463/3.0=3...(6) QD1 ILE 22 - HA LEU 58 poor 10 60 - 16 - ~7056=2, ~2172=1...(6) HG LEU 111 - HA GLU 64 poor 10 59 - 16 - 295/2.9=4, 7165/3.6=3...(5) QG2 VAL 66 - HA GLU 94 poor 7 69 - 11 - ~7202=2, 463/3.0=2, 2.1/7193=2 QD1 LEU 111 - HA GLU 64 poor 7 51 - 14 - ~295=2, 7889/3.6=2...(6) QD2 LEU 93 - HA GLU 64 lone 6 67 - 9 - 295/2.9=2, 7165/3.6=2 QD1 LEU 91 - HA GLU 94 poor 6 36 - 17 - 463/3.0=5, ~464=4...(5) HG LEU 111 - HA GLU 94 poor 6 48 - 13 - 463/3.0=4, ~461=2...(4) QD1 LEU 111 - HA GLU 94 lone 4 41 - 10 - ~463=3, ~461=2, ~5805=2 QD1 LEU 84 - HA GLU 64 lone 4 53 - 8 - 295/2.9=3, 7165/3.6=2 QD1 LEU 84 - HA LEU 58 lone 4 73 - 5 - QG2 VAL 66 - HA LEU 58 lone 3 100 - 3 - QD1 LEU 91 - HA GLU 64 lone 3 45 - 6 - 7165/3.6=2, 295/2.9=1 QD1 LEU 84 - HA GLU 94 lone 3 43 - 6 - 463/3.0=3, ~7615=1 QD1 ILE 22 - HA GLU 64 lone 2 42 - 4 - QD1 ILE 22 - HA GLU 94 lone 1 34 - 3 - ~464=1 Peak 7056 from cnoeabs.peaks (0.86, 1.87, 43.52 ppm; 4.69 A): 7 out of 10 assignments used, quality = 0.91: HG13 ILE 80 + HB2 LEU 58 OK 46 99 - 46 - 8347/3.1=7, ~7063=5...(20) QD2 LEU 55 + HB2 LEU 58 OK 31 93 - 33 - 4.0/7057=6, 7052/3.9=5...(15) QD1 LEU 59 + HB2 LEU 58 OK 29 83 - 35 - 4.6/5646=12, 2.1/8414=6...(12) QD2 LEU 59 + HB2 LEU 58 OK 27 83 - 33 - 4.6/5646=12, 2.1/8414=6...(11) HG13 ILE 22 + HB2 LEU 58 OK 27 73 - 36 - ~8477=4, ~8420=4...(18) QD2 LEU 114 + HB2 LEU 58 OK 26 97 - 27 - 7955/4.6=6, 7052/3.9=5...(6) QD2 LEU 126 + HB2 LEU 58 OK 13 97 - 13 - 5417/3.9=4, 1058/4.6=3 QG1 VAL 49 - HB2 LEU 58 lone 5 83 - 6 - 1058/4.6=1 QD1 ILE 124 - HB2 LEU 58 lone 4 71 - 6 - 1058/4.6=2 QD2 LEU 41 - HB2 LEU 58 lone 4 65 - 6 - 1058/4.6=1 Peak 7057 from cnoeabs.peaks (4.07, 1.87, 43.52 ppm; 4.64 A): 4 out of 8 assignments used, quality = 0.97: HA LYS 109 + HB2 LEU 58 OK 76 95 - 80 - 4883=11, 7060/3.1=10...(34) HA LEU 55 + HB2 LEU 58 OK 55 98 - 57 - 8292/3.1=11, 8639/3.9=10...(13) HA VAL 120 + HB2 LEU 58 OK 52 89 - 59 - 3.0/5646=9, 7060/3.1=6...(22) HA LYS 31 + HB2 LEU 58 OK 37 89 - 42 - 4.0/2428=4, 7071/4.6=4...(22) HA TYR 102 - HB2 LEU 58 OK 15 85 - 18 - 7739/3.1=3, 7739/3.1=3...(6) HA SER 112 - HB2 LEU 58 OK 14 99 - 14 - 8573/3.9=3, 7058/1.8=2...(5) HD3 PRO 37 - HB2 LEU 58 poor 9 78 - 12 - 8573/3.9=2, 7060/3.1=1...(5) HA SER 44 - HB2 LEU 58 lone 7 100 - 7 - 7060/3.1=1 Peak 7058 from cnoeabs.peaks (4.05, 1.49, 43.52 ppm; 4.28 A): 4 out of 27 assignments used, quality = 0.92: HA LYS 109 + HB3 LEU 58 OK 73 100 - 73 - 4883/1.8=11, 7060/3.1=9...(29) HA LEU 55 + HB3 LEU 58 OK 50 100 - 50 - 8292/3.1=10, 7012=10...(11) HA VAL 120 + HB3 LEU 58 OK 31 60 - 52 - 7057/1.8=6, 3.0/5647=6...(22) HA LYS 31 + HB3 LEU 58 OK 19 60 - 32 - 7057/1.8=4, 4.0/8306=3...(17) HA TYR 102 - HB3 LEU 58 OK 16 99 - 16 - 7739/3.1=3, 7739/3.1=3...(5) HA LEU 55 - HB2 LEU 93 OK 16 50 - 31 - 7000/3.8=7, 7011/1.8=5...(8) HA VAL 120 - HB2 LEU 93 OK 15 24 - 61 - ~8378=7, 3.2/8179=6...(25) HA SER 112 - HB3 LEU 58 OK 14 100 - 14 - 8573/3.9=2, 4.8/6222=2...(5) HD3 PRO 37 - HB3 LEU 58 lone 10 97 - 10 - 8573/3.9=2, 7060/3.1=1...(4) HA LYS 31 - HB2 LEU 93 poor 8 24 - 33 - 2399/1.8=4, ~2419=4...(10) HA SER 112 - HB2 LEU 93 poor 6 49 - 13 - 7918/3.1=2, ~567=2...(4) HA SER 44 - HB3 LEU 58 lone 6 93 - 6 - HD3 PRO 37 - HB2 LEU 24 poor 6 51 - 12 - ~6683=2, ~6677=2...(4) HA LYS 109 - HB2 LEU 93 lone 5 50 - 10 - 3.6/554=1 HA LEU 55 - HB2 LEU 24 lone 4 55 - 7 - 7012=1 HA GLN 16 - HB3 LEU 58 lone 4 81 - 5 - HA LYS 109 - HB2 LEU 24 lone 4 55 - 7 - HA SER 112 - HB2 LEU 24 lone 3 54 - 5 - 4.8/6222=2, ~568=2 HD3 PRO 37 - HB2 LEU 93 lone 3 46 - 5 - HA LYS 31 - HB2 LEU 24 lone 2 26 - 9 - ~2416=1, ~892=1, ~2406=1 HA VAL 120 - HB2 LEU 24 lone 2 26 - 6 - HA TYR 102 - HB2 LEU 93 lone 1 48 - 3 - HA TYR 102 - HB2 LEU 24 lone 1 53 - 2 - HA SER 44 - HB2 LEU 93 lone 1 43 - 2 - HA SER 44 - HB2 LEU 24 lone 1 47 - 2 - HA GLN 16 - HB2 LEU 93 lone 1 34 - 3 - HA GLN 16 - HB2 LEU 24 lone 1 38 - 1 - Peak 7059 from cnoeabs.peaks (4.06, 0.99, 21.76 ppm; 4.88 A): 4 out of 18 assignments used, quality = 0.97: HA LYS 109 + QD2 LEU 58 OK 75 99 - 75 - 7060/2.1=13, 4883/3.1=10...(24) HA LEU 55 + QD2 LEU 58 OK 57 100 - 57 - 8292/2.1=14, 8292=11...(10) HD3 PRO 37 + QG1 VAL 18 OK 50 79 - 64 - ~8403=10, ~8256=9...(14) HA VAL 120 + QD2 LEU 58 OK 48 76 - 63 - 7060/2.1=7, 3.0/5649=7...(23) HA LYS 31 - QD2 LEU 58 OK 31 76 - 41 - 7057/3.1=5, 7060/2.1=4...(19) HA TYR 102 - QD2 LEU 58 OK 26 95 - 28 - 7739=6, 7739/2.1=5...(9) HA SER 112 - QG1 VAL 18 OK 23 93 - 24 - ~568=6, ~5459=4...(6) HA SER 44 - QG1 VAL 18 OK 21 89 - 23 - 2868/3.2=4, ~1997=2...(10) HA GLN 16 - QG1 VAL 18 OK 19 55 - 34 - 5960/4.0=12, 1550/4.3=7...(8) HA SER 112 - QD2 LEU 58 OK 17 100 - 17 - 8573/4.8=3, 7060/2.1=2...(6) HA TYR 102 - QG1 VAL 18 OK 15 84 - 18 - 7739=4, ~8405=3...(6) HD3 PRO 37 - QD2 LEU 58 OK 15 90 - 17 - 3.6/8253=2, 8573/4.8=2...(8) HA LEU 55 - QG1 VAL 18 OK 14 92 - 15 - 8292=2, 1550/4.3=1 HA LYS 109 - QG1 VAL 18 OK 12 90 - 14 - 6205/4.3=4, 3.6/7048=2 HA SER 44 - QD2 LEU 58 OK 11 99 - 11 - 7060/2.1=1 HA GLN 16 - QD2 LEU 58 lone 5 65 - 8 - HA LYS 31 - QG1 VAL 18 lone 3 65 - 5 - HA VAL 120 - QG1 VAL 18 lone 3 65 - 5 - 3.0/5649=1 Peak 7060 from cnoeabs.peaks (4.06, 1.00, 25.81 ppm; 4.16 A): 6 out of 9 assignments used, quality = 0.95: HA LYS 109 + QD1 LEU 58 OK 67 99 - 68 - 3.6/7050=10, 4883/3.1=8...(26) HA LEU 55 + QD1 LEU 58 OK 53 100 - 53 - 8292=14, 8292/2.1=10...(10) HA VAL 120 + QD1 LEU 58 OK 39 76 - 51 - 3.0/5650=6, 7057/3.1=5...(21) HA LYS 31 + QD1 LEU 58 OK 22 76 - 29 - 3.0/3384=4, 7057/3.1=4...(15) HA TYR 102 + QD1 LEU 58 OK 21 95 - 22 - 7739=4, 7739/2.1=3...(8) HA SER 112 + QD1 LEU 58 OK 12 100 - 12 - 8573/4.8=2, 7057/3.1=1...(6) HD3 PRO 37 - QD1 LEU 58 poor 10 90 - 11 - 8573/4.8=2 HA SER 44 - QD1 LEU 58 lone 7 99 - 7 - HA GLN 16 - QD1 LEU 58 lone 3 65 - 5 - Peak 7061 from cnoeabs.peaks (1.76, 1.00, 25.81 ppm; 3.93 A): 6 out of 16 assignments used, quality = 0.92: HD2 LYS 109 + QD1 LEU 58 OK 47 100 - 48 - 3.9/3384=5, 5.2/7060=5...(23) HD3 LYS 109 + QD1 LEU 58 OK 47 100 - 48 - 3.9/3384=5, 5.2/7060=5...(23) HB2 LEU 117 + QD1 LEU 58 OK 34 95 - 36 - 3.0/8534=6, 4.0/5650=5...(11) HG LEU 117 + QD1 LEU 58 OK 33 100 - 33 - 8011=6, 3.6/8534=5...(10) HB2 LEU 45 + QD1 LEU 58 OK 21 99 - 21 - 6839=4, 6839/2.1=3...(7) HB2 LEU 91 + QD1 LEU 58 OK 19 68 - 28 - 3.1/8370=5, ~8420=3...(11) HB3 LYS 46 - QD1 LEU 58 OK 17 98 - 18 - 4.0/6858=2, 3.0/6859=2...(7) HG2 GLN 42 - QD1 LEU 58 OK 17 100 - 17 - 1.8/6801=2, 6800=2...(6) HG3 PRO 30 - QD1 LEU 58 OK 15 100 - 15 - 8011=2, 8011/2.1=1, 2.3/3386=1 HB2 PRO 37 - QD1 LEU 58 lone 6 68 - 9 - ~8253=1, 3.0/7060=1, ~8196=1 HB VAL 66 - QD1 LEU 58 lone 5 95 - 5 - 2.1/7064=1 HB2 GLU 75 - QD1 LEU 58 lone 5 92 - 6 - HB2 ARG 53 - QD1 LEU 58 lone 3 85 - 4 - HB2 LYS 32 - QD1 LEU 58 lone 3 68 - 4 - HG3 ARG 71 - QD1 LEU 58 lone 3 100 - 3 - HG2 ARG 71 - QD1 LEU 58 lone 2 89 - 2 - Peak 7062 from cnoeabs.peaks (1.39, 1.00, 25.81 ppm; 3.55 A): 5 out of 8 assignments used, quality = 0.93: HB2 LEU 27 + QD1 LEU 58 OK 53 96 - 55 - 2272=8, 2272/2.1=6...(28) QG2 THR 121 + QD1 LEU 58 OK 50 99 - 51 - 8086=10, 2.1/8082=7...(15) HB3 LEU 93 + QD1 LEU 58 OK 38 100 - 39 - 6367/2.1=4, 8304/3.1=3...(15) HG2 LYS 31 + QD1 LEU 58 OK 29 93 - 31 - 6367/2.1=4, 2.9/3384=3...(11) HB VAL 110 + QD1 LEU 58 OK 28 98 - 29 - 4.0/7050=6, 2.1/7873=4...(10) HB2 LEU 111 - QD1 LEU 58 OK 22 100 - 22 - 6367/2.1=3, 3.8/3382=2...(10) HG LEU 59 - QD1 LEU 58 OK 18 89 - 21 - 3410/4.9=5, 8414/3.1=3...(5) QB ALA 122 - QD1 LEU 58 poor 8 63 - 13 - 2.9/8096=3, 2.1/3383=2...(4) Peak 7063 from cnoeabs.peaks (1.28, 1.00, 25.81 ppm; 3.76 A): 5 out of 6 assignments used, quality = 0.92: HG LEU 54 + QD1 LEU 58 OK 60 100 - 60 - 2.1/7065=31, ~7068=11...(11) QD1 ILE 80 + QD1 LEU 58 OK 43 98 - 44 - 7418=6, 2.1/8347=5...(15) QG2 ILE 80 + QD1 LEU 58 OK 41 97 - 42 - 7401=5, 3.2/8347=4...(18) QG2 THR 116 + QD1 LEU 58 OK 27 99 - 27 - 7987=4, 4.3/5650=4...(8) QG2 THR 19 + QD1 LEU 58 OK 23 83 - 28 - 2.1/3383=4, 4.0/50=3...(12) HG3 LYS 32 - QD1 LEU 58 lone 4 89 - 5 - Peak 7064 from cnoeabs.peaks (0.68, 1.00, 25.81 ppm; 4.02 A): 3 out of 6 assignments used, quality = 0.90: QD2 LEU 24 + QD1 LEU 58 OK 73 85 - 86 - 2.1/7066=29, ~8507=17...(30) QD2 LEU 54 + QD1 LEU 58 OK 47 71 - 66 - 2.1/7065=34, ~7068=13...(11) QD1 LEU 21 + QD1 LEU 58 OK 28 63 - 45 - ~7068=8, 2.1/8198=7...(18) QD1 LEU 77 - QD1 LEU 58 lone 8 99 - 8 - 7420/7063=1 QG1 VAL 66 - QD1 LEU 58 lone 7 93 - 7 - HG3 GLU 75 - QD1 LEU 58 lone 5 81 - 6 - 4653/7049=1 Peak 7065 from cnoeabs.peaks (0.20, 1.00, 25.81 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.65: QD1 LEU 54 + QD1 LEU 58 OK 59 92 - 65 - 6986=16, 7068/2.1=14...(12) QD1 ILE 34 + QD1 LEU 58 OK 13 81 - 16 - 6364/2.1=5, 6651=3...(4) Peak 7066 from cnoeabs.peaks (0.05, 1.00, 25.81 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.88: QD1 LEU 24 + QD1 LEU 58 OK 88 95 - 93 - 7067/2.1=31, 8507/2.1=29...(31) Peak 7067 from cnoeabs.peaks (0.05, 0.99, 21.76 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.86: QD1 LEU 24 + QD2 LEU 58 OK 77 99 - 78 - 7066/2.1=20, 8507/2.1=16...(26) QD1 LEU 24 + QG1 VAL 18 OK 40 90 - 45 - 6465=9, 2.1/6365=7...(16) Peak 7068 from cnoeabs.peaks (0.21, 1.93, 26.17 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.85: QD1 LEU 54 + HG LEU 58 OK 73 100 - 73 - 7065/2.1=33, 6986/2.1=15...(13) QD2 LEU 21 + HG LEU 58 OK 45 76 - 59 - 2.1/8506=10, 6415/8507=9...(22) Peak 7075 from cnoeabs.peaks (3.32, 4.67, 51.67 ppm; 3.42 A): 1 out of 4 assignments used, quality = 0.81: HD3 PRO 60 + HA LEU 59 OK 81 90 - 90 - 3.8=75, 1.8/8307=32...(9) HD3 ARG 85 - HA LEU 59 poor 10 97 - 10 - 7073/3.0=3, 8645/4.0=2...(4) HD2 ARG 57 - HA LEU 59 lone 6 99 - 7 - 3437/3.8=3, 7073/3.0=2 HB3 PHE 40 - HA LEU 59 lone 3 63 - 4 - 3437/3.8=2 Peak 7076 from cnoeabs.peaks (3.52, 4.67, 51.67 ppm; 4.10 A): 2 out of 7 assignments used, quality = 0.74: HD2 PRO 60 + HA LEU 59 OK 68 68 - 100 - 3.8=100 HA ASN 118 + HA LEU 59 OK 19 71 - 27 - 7072/3.0=5, ~271=4...(9) HB2 ASP 47 - HA LEU 59 lone 3 89 - 3 - 3443/3.8=2 HB2 PHE 83 - HA LEU 59 lone 1 98 - 1 - HA LEU 84 - HA LEU 59 lone 1 71 - 1 - HB3 SER 44 - HA LEU 59 lone 1 63 - 1 - HB2 PHE 96 - HA LEU 59 lone 1 97 - 1 - Peak 7077 from cnoeabs.peaks (1.91, 1.62, 43.20 ppm; 4.46 A): 9 out of 54 assignments used, quality = 0.90: HB ILE 22 + HB2 LEU 59 OK 35 100 - 35 - 2152/3.2=4, 7080/1.8=4...(16) HB ILE 80 + HB2 LEU 59 OK 31 98 - 31 - 4074/3.2=4, 7425/3.0=3...(17) HB3 LYS 31 + HB2 LEU 59 OK 27 63 - 44 - 7080/1.8=5, 2.9/3399=4...(23) HB2 LYS 119 + HB2 LEU 59 OK 23 63 - 36 - 5915/3.7=5, 7080/1.8=5...(17) HG LEU 55 + HB2 LEU 59 OK 22 60 - 37 - 7080/1.8=4, 2.1/3401=4...(18) HG LEU 58 + HB2 LEU 59 OK 21 85 - 25 - 5648/3.7=7, 2.1/6368=3...(9) HB ILE 22 + HB3 LEU 126 OK 16 72 - 22 - 2148/3.0=2, ~5411=1...(6) HB ILE 22 + HB2 LEU 126 OK 16 70 - 22 - 2148/3.0=2, ~5411=1...(6) HB2 LEU 21 + HB2 LEU 59 OK 10 95 - 11 - ~6405=2, 6409/3.0=2...(4) HB3 MET 11 - HB2 LEU 59 lone 6 100 - 6 - 8597/3.7=2, 4.2/3396=1 HB ILE 80 - HB3 LEU 126 lone 6 68 - 8 - HB2 ARG 81 - HB3 LEU 126 lone 6 71 - 8 - HB ILE 80 - HB2 LEU 126 lone 5 66 - 8 - HG LEU 55 - HB3 LEU 126 poor 6 36 - 15 - ~5388=1, ~6060=1...(4) HB2 ARG 81 - HB2 LEU 126 lone 5 69 - 7 - HG LEU 55 - HB2 LEU 126 poor 5 35 - 15 - ~5388=1, ~6060=1...(4) HB VAL 50 - HB2 LEU 59 lone 5 63 - 8 - 4.5/1002=2 HB2 LEU 84 - HB2 LEU 59 lone 5 97 - 5 - HB2 GLU 28 - HB2 LEU 59 lone 5 98 - 5 - HB2 LYS 109 - HB2 LEU 59 lone 5 73 - 7 - 275/3.7=3 HB2 ARG 81 - HB2 LEU 59 lone 4 100 - 4 - HB2 LEU 21 - HB3 LEU 126 lone 4 64 - 6 - HB2 LEU 21 - HB2 LEU 126 lone 4 62 - 6 - HG LEU 58 - HB3 LEU 126 lone 4 55 - 7 - 3368/4.0=2 HG LEU 58 - HB2 LEU 126 lone 4 53 - 7 - 3368/4.0=2 HB3 GLU 73 - HB2 LEU 59 lone 4 100 - 4 - HB2 LYS 119 - HB3 LEU 126 lone 3 38 - 8 - HB2 LYS 119 - HB2 LEU 126 lone 3 37 - 8 - HG LEU 84 - HB2 LEU 59 lone 3 71 - 4 - HB3 LYS 31 - HB3 LEU 126 lone 2 38 - 6 - HB2 GLU 38 - HB2 LEU 59 lone 2 63 - 4 - HB3 LYS 31 - HB2 LEU 126 lone 2 37 - 6 - HB3 GLU 64 - HB2 LEU 59 lone 2 78 - 2 - 275/3.7=1 HB2 GLU 64 - HB2 LEU 59 lone 2 73 - 2 - 275/3.7=1 HB VAL 50 - HB3 LEU 126 lone 2 38 - 4 - 3.0/6914=1 HB VAL 50 - HB2 LEU 126 lone 2 37 - 4 - 3.0/6914=1 HB2 GLU 28 - HB3 LEU 126 lone 1 68 - 2 - HB2 GLU 28 - HB2 LEU 126 lone 1 66 - 2 - HB2 LEU 84 - HB3 LEU 126 lone 1 67 - 2 - HB2 LEU 84 - HB2 LEU 126 lone 1 65 - 2 - HB3 GLU 73 - HB3 LEU 126 lone 1 72 - 1 - HB3 GLU 73 - HB2 LEU 126 lone 1 70 - 1 - HB3 MET 11 - HB3 LEU 126 lone 1 72 - 1 - HB3 MET 11 - HB2 LEU 126 lone 1 70 - 1 - HG LEU 84 - HB3 LEU 126 lone 1 44 - 2 - HG LEU 84 - HB2 LEU 126 lone 1 42 - 2 - HB3 GLU 64 - HB3 LEU 126 lone 1 50 - 1 - HB2 GLU 38 - HB3 LEU 126 lone 1 38 - 2 - HB2 LYS 109 - HB3 LEU 126 lone 1 46 - 1 - HB3 GLU 64 - HB2 LEU 126 lone 1 48 - 1 - HB2 GLU 38 - HB2 LEU 126 lone 1 37 - 2 - HB2 LYS 109 - HB2 LEU 126 lone 1 44 - 1 - HB2 GLU 64 - HB3 LEU 126 lone 1 46 - 1 - HB2 GLU 64 - HB2 LEU 126 lone 1 44 - 1 - Peak 7078 from cnoeabs.peaks (1.09, 1.62, 43.20 ppm; 4.29 A): 0 out of 6 assignments used, low quality = 0.45: QG2 THR 62 - HB2 LEU 59 OK 45 81 - 55 - 7079/1.8=27, 7087/3.7=13...(10) QG2 THR 62 - HB3 LEU 126 poor 8 51 - 16 - 7115/1.8=2, 7115=2...(8) QG2 THR 62 - HB2 LEU 126 poor 8 50 - 15 - 7115/1.8=2, 7115=2...(8) HG13 ILE 34 - HB2 LEU 59 lone 3 76 - 3 - HG13 ILE 34 - HB3 LEU 126 lone 1 48 - 2 - HG13 ILE 34 - HB2 LEU 126 lone 1 46 - 2 - Peak 7079 from cnoeabs.peaks (1.10, 1.35, 43.20 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.69: QG2 THR 62 + HB3 LEU 59 OK 60 97 - 62 - 7116=27, 7078/1.8=23...(8) QG2 VAL 120 + HB3 LEU 59 OK 21 73 - 29 - 7087/3.7=10, 4.0/3403=5...(10) Peak 7080 from cnoeabs.peaks (1.90, 1.35, 43.20 ppm; 4.75 A): 5 out of 16 assignments used, quality = 0.94: HB3 LYS 31 + HB3 LEU 59 OK 54 97 - 56 - 2419=5, 1.8/2409=4...(31) HB2 LYS 119 + HB3 LEU 59 OK 49 97 - 51 - 5915/3.7=8, 4.7/3403=5...(22) HG LEU 55 + HB3 LEU 59 OK 45 96 - 48 - 8298=7, 2.1/3408=6...(21) HB ILE 22 + HB3 LEU 59 OK 37 95 - 39 - 2152/3.2=4, 2.9/3408=4...(16) HB2 LEU 58 + HB3 LEU 59 OK 24 73 - 33 - 5646/3.7=11, 8304/3.0=3...(10) HB ILE 80 - HB3 LEU 59 OK 23 68 - 34 - 3.0/3409=3, 7077/1.8=3...(17) HB VAL 50 - HB3 LEU 59 lone 8 97 - 9 - HG LEU 84 - HB3 LEU 59 lone 5 99 - 5 - HB3 MET 11 - HB3 LEU 59 lone 5 83 - 6 - 4.2/3403=2, 8597/3.7=2 HG3 PRO 68 - HB3 LEU 59 lone 5 68 - 8 - 8298=1 HB2 LEU 84 - HB3 LEU 59 lone 5 99 - 5 - HB2 ARG 81 - HB3 LEU 59 lone 5 96 - 5 - 7114/7079=1 HB2 GLU 28 - HB3 LEU 59 lone 5 99 - 5 - HB3 GLU 73 - HB3 LEU 59 lone 4 92 - 4 - HB2 ARG 92 - HB3 LEU 59 lone 3 83 - 4 - 273/3.7=1 HB3 GLU 28 - HB3 LEU 59 lone 3 68 - 4 - Peak 7082 from cnoeabs.peaks (7.72, 0.88, 23.90 ppm; 4.75 A): 9 out of 14 assignments used, quality = 0.92: H ASN 118 + QD1 LEU 117 OK 38 53 - 71 - 599/3.1=18, 598/3.1=15...(11) H ASN 118 + QD2 LEU 59 OK 36 90 - 39 - 271/4.6=9, 3.0/8644=6...(13) H LEU 58 + QD2 LEU 59 OK 33 100 - 33 - 1467/4.6=14, 7052/2.1=5...(7) H LEU 126 + QD2 LEU 59 OK 33 100 - 33 - 1425=6, 2.9/5388=4...(11) H LEU 58 + QD1 LEU 117 OK 24 65 - 37 - 1467/4.6=8, 5910/2.1=6...(11) H SER 90 + QD2 LEU 59 OK 16 100 - 16 - 271/4.6=3, 7568/2.1=3...(5) H SER 90 + QD1 LEU 117 OK 13 65 - 21 - 7567/2.1=6, 1520/4.6=3...(6) H LEU 126 + QD1 LEU 117 OK 13 64 - 19 - 5910/2.1=3, 1424=3...(8) H LEU 91 + QD1 LEU 117 OK 11 37 - 29 - 5910/2.1=7, 5907/3.1=4...(9) H LEU 91 - QD2 LEU 59 poor 9 68 - 12 - 4.4/7086=2, 271/4.6=2 H LEU 111 - QD2 LEU 59 lone 7 81 - 9 - 271/4.6=2, 1339/2.1=1 HE21 GLN 103 - QD1 LEU 117 lone 5 59 - 9 - ~7999=3, 5910/2.1=1 H LEU 111 - QD1 LEU 117 lone 4 46 - 9 - 1751/3.8=4 HE21 GLN 103 - QD2 LEU 59 lone 3 97 - 3 - 271/4.6=1 Peak 7083 from cnoeabs.peaks (3.77, 0.84, 25.70 ppm; 3.64 A): 0 out of 24 assignments used, low quality = 0.41: HA CYS 87 - QD2 LEU 55 OK 19 51 - 37 - 7533=10, 7534/2.1=6...(12) HA CYS 87 - QD1 LEU 59 OK 16 95 - 17 - 7533=5, 7086/2.1=4...(6) HD2 PRO 30 - QD1 LEU 59 OK 13 100 - 13 - 7086/2.1=3, 2.3/7084=2 HB2 SER 90 - QD1 LEU 59 poor 7 60 - 12 - 1.8/7579=4, 7575=2...(6) HA LEU 54 - QD2 LEU 55 poor 7 38 - 19 - 3.6/1030=8, 6071/4.8=6...(5) HA GLU 38 - QD2 LEU 55 poor 6 53 - 12 - 6005/3.1=2, 244/4.6=2...(4) HA LEU 54 - QD1 LEU 59 lone 4 76 - 6 - 3.6/1030=2, 7086/2.1=1 HD2 PRO 30 - QD2 LEU 55 lone 4 58 - 6 - HB3 SER 13 - QD2 LEU 55 lone 3 57 - 6 - 6289/2.1=1 HA GLU 38 - QD1 LEU 59 lone 3 96 - 4 - 7086/2.1=1 HB2 SER 90 - QD2 LEU 55 poor 3 29 - 11 - 1.8/7579=4, 7575=2...(5) HA2 GLY 61 - QD1 LEU 59 lone 3 73 - 4 - 3.6/7094=3 HB3 SER 13 - QD1 LEU 59 lone 2 99 - 2 - HA2 GLY 61 - QD2 LEU 55 lone 2 36 - 5 - 3.6/7094=3 HA GLU 73 - QD1 LEU 59 lone 1 65 - 2 - HB2 SER 72 - QD1 LEU 59 lone 1 99 - 1 - HB3 SER 74 - QD2 LEU 55 lone 1 54 - 3 - ~6089=1 HB2 SER 74 - QD2 LEU 55 lone 1 53 - 3 - ~6089=1 HB3 SER 35 - QD1 LEU 59 lone 1 96 - 1 - HB3 SER 74 - QD1 LEU 59 lone 1 97 - 1 - HB2 SER 74 - QD1 LEU 59 lone 1 96 - 1 - HB3 SER 35 - QD2 LEU 55 lone 1 53 - 2 - HA GLU 73 - QD2 LEU 55 lone 1 32 - 3 - HB2 SER 72 - QD2 LEU 55 lone 1 57 - 1 - Peak 7084 from cnoeabs.peaks (1.77, 0.84, 25.70 ppm; 4.00 A): 7 out of 30 assignments used, quality = 0.88: HB2 LEU 117 + QD1 LEU 59 OK 50 100 - 50 - 8007=8, 1.8/8009=5...(21) HG LEU 117 + QD1 LEU 59 OK 46 98 - 47 - 2.1/8554=6, 3.0/8007=5...(19) HB2 LEU 117 + QD2 LEU 55 OK 20 59 - 33 - 8007=5, 1.8/8009=4...(13) HG3 PRO 30 + QD1 LEU 59 OK 17 99 - 17 - 2.3/7083=5, ~7086=3, 1.8/3419=1 HG LEU 117 + QD2 LEU 55 OK 17 55 - 30 - 2.1/8554=4, 3.0/8007=3...(10) HB3 LYS 46 + QD1 LEU 59 OK 11 83 - 13 - 2.9/3420=2, 2.9/3420=2...(4) HB3 GLU 56 + QD2 LEU 55 OK 10 41 - 26 - 3273/4.8=8, ~8500=3...(10) HB2 PRO 37 - QD2 LEU 55 poor 6 49 - 12 - 1034/4.8=2, 2677/4.0=1 HB VAL 66 - QD2 LEU 55 poor 6 36 - 16 - ~7233=3, ~7179=3...(7) HB3 LYS 46 - QD2 LEU 55 poor 5 42 - 11 - 8271/4.0=1 HB3 GLU 56 - QD1 LEU 59 lone 5 81 - 6 - 3.7/256=3 HB2 LYS 32 - QD1 LEU 59 lone 4 92 - 5 - HG2 GLN 42 - QD1 LEU 59 lone 4 96 - 4 - HD3 LYS 109 - QD2 LEU 55 lone 4 57 - 6 - HG3 PRO 30 - QD2 LEU 55 lone 4 56 - 6 - 2.3/7083=1 HG3 ARG 71 - QD2 LEU 55 lone 4 49 - 7 - HD2 LYS 109 - QD2 LEU 55 lone 4 55 - 6 - HB2 PRO 37 - QD1 LEU 59 lone 2 92 - 2 - HB2 LYS 32 - QD2 LEU 55 lone 2 49 - 4 - HG2 ARG 71 - QD2 LEU 55 lone 2 30 - 7 - HD3 LYS 109 - QD1 LEU 59 lone 2 99 - 2 - HD2 LYS 109 - QD1 LEU 59 lone 2 98 - 2 - HG2 GLN 42 - QD2 LEU 55 lone 2 53 - 4 - HB2 GLU 75 - QD1 LEU 59 lone 2 100 - 2 - HB2 LEU 45 - QD2 LEU 55 lone 2 45 - 4 - HB2 LEU 45 - QD1 LEU 59 lone 2 87 - 2 - HB VAL 66 - QD1 LEU 59 lone 2 73 - 2 - HB2 GLU 75 - QD2 LEU 55 lone 2 58 - 3 - HG3 ARG 71 - QD1 LEU 59 lone 1 92 - 2 - HG2 ARG 71 - QD1 LEU 59 lone 1 63 - 1 - Peak 7086 from cnoeabs.peaks (3.76, 0.88, 23.90 ppm; 3.96 A): 4 out of 22 assignments used, quality = 0.49: HD2 PRO 30 + QD1 LEU 117 OK 19 63 - 31 - 2350/2.1=3, ~2394=3...(17) HA LEU 54 + QD1 LEU 117 OK 17 58 - 29 - 3180/2.1=8, ~3187=4...(9) HA CYS 87 + QD2 LEU 59 OK 13 100 - 13 - 7083/2.1=5, ~7528=2...(5) HD2 PRO 30 + QD2 LEU 59 OK 13 99 - 13 - 7083/2.1=5, ~7084=1, 2.3/5409=1 HA GLU 38 - QD1 LEU 117 poor 7 65 - 11 - 6708=2 HB3 SER 90 - QD2 LEU 59 poor 7 68 - 11 - 7579/2.1=3, ~7575=2...(5) HA GLU 38 - QD2 LEU 59 lone 5 100 - 5 - 7083/2.1=1 HA LEU 54 - QD2 LEU 59 lone 5 96 - 5 - 7083/2.1=1 HA CYS 87 - QD1 LEU 117 lone 3 65 - 5 - ~7526=1 HA GLU 73 - QD2 LEU 59 lone 3 90 - 3 - HB3 SER 13 - QD2 LEU 59 lone 2 100 - 2 - HB3 SER 13 - QD1 LEU 117 lone 2 64 - 3 - HB3 SER 35 - QD2 LEU 59 lone 1 100 - 1 - HB2 SER 72 - QD2 LEU 59 lone 1 89 - 1 - HB3 SER 74 - QD2 LEU 59 lone 1 78 - 2 - HB2 SER 74 - QD2 LEU 59 lone 1 76 - 2 - HB2 SER 72 - QD1 LEU 117 lone 1 52 - 2 - HB3 SER 90 - QD1 LEU 117 lone 1 37 - 3 - 3.8/7082=1 HB3 SER 35 - QD1 LEU 117 lone 1 65 - 1 - HA GLU 73 - QD1 LEU 117 lone 1 53 - 2 - HB3 SER 74 - QD1 LEU 117 lone 1 44 - 2 - HB2 SER 74 - QD1 LEU 117 lone 1 42 - 2 - Peak 7088 from cnoeabs.peaks (1.37, 3.34, 49.63 ppm; 4.82 A): 5 out of 8 assignments used, quality = 0.91: HB3 LEU 59 + HD3 PRO 60 OK 73 73 - 100 - 4.8=100 HG LEU 59 + HD3 PRO 60 OK 39 57 - 67 - 4.2/8308=32, 2.1/8645=21...(8) QG2 THR 121 + HD3 PRO 60 OK 32 100 - 32 - 8092/1.8=13, ~6264=7...(5) HG2 LYS 31 + HD3 PRO 60 OK 13 100 - 13 - 7090/1.8=3, 2431/4.8=3...(4) HB3 LEU 93 + HD3 PRO 60 OK 11 97 - 11 - 7090/1.8=2, 1056/4.8=2 HB2 LEU 111 - HD3 PRO 60 lone 7 87 - 8 - 7090/1.8=1, 1056/4.8=1 HB2 LEU 27 - HD3 PRO 60 lone 6 71 - 9 - 1056/4.8=2, 3393/3.8=2...(4) HB VAL 110 - HD3 PRO 60 lone 6 78 - 8 - ~7232=2, 7090/1.8=1, 1056/4.8=1 Peak 7089 from cnoeabs.peaks (0.87, 3.34, 49.63 ppm; 4.28 A): 7 out of 8 assignments used, quality = 0.90: QD2 LEU 59 + HD3 PRO 60 OK 66 97 - 68 - 4.0/8308=28, 8645=19...(9) QD2 LEU 41 + HD3 PRO 60 OK 30 89 - 34 - 7091/1.8=5, 4.3/164=4...(14) QD1 ILE 124 + HD3 PRO 60 OK 20 92 - 22 - 7091/1.8=4, 8120/4.8=2...(8) QD2 LEU 126 + HD3 PRO 60 OK 17 100 - 17 - 3395/3.8=4, 3409/4.8=3...(6) QG1 VAL 49 + HD3 PRO 60 OK 15 97 - 15 - 7091/1.8=3, 8492/2.3=3...(5) QD2 LEU 55 + HD3 PRO 60 OK 14 73 - 19 - 3418/3.8=2, 1057/4.8=2...(7) QD2 LEU 114 + HD3 PRO 60 OK 12 83 - 15 - 7955/4.8=4, 7959/4.8=3 HG13 ILE 80 - HD3 PRO 60 lone 10 100 - 10 - 1058/4.8=2, 3395/3.8=2...(4) Peak 7090 from cnoeabs.peaks (1.37, 3.55, 49.63 ppm; 4.97 A): 3 out of 6 assignments used, quality = 0.94: HB3 LEU 59 + HD2 PRO 60 OK 87 87 - 100 - 4.8=100 QG2 THR 121 + HD2 PRO 60 OK 49 97 - 51 - 8092=15, 2.1/6264=10...(10) HG2 LYS 31 + HD2 PRO 60 OK 15 100 - 15 - 3392/3.8=4, 1055/4.8=3...(4) HB3 LEU 93 - HD2 PRO 60 poor 10 89 - 11 - 7088/1.8=2, 1056/4.8=1 HB2 LEU 111 - HD2 PRO 60 lone 6 73 - 8 - 7088/1.8=2 HB VAL 110 - HD2 PRO 60 lone 6 63 - 9 - ~7232=2, 7088/1.8=1 Peak 7091 from cnoeabs.peaks (0.89, 3.55, 49.63 ppm; 4.04 A): 6 out of 9 assignments used, quality = 0.87: QD2 LEU 59 + HD2 PRO 60 OK 63 99 - 63 - 4.0/8307=25, 8645/1.8=16...(7) QD2 LEU 41 + HD2 PRO 60 OK 27 100 - 27 - 7089/1.8=4, 2807/2.3=3...(13) QD1 ILE 124 + HD2 PRO 60 OK 23 100 - 23 - 7089/1.8=3, 5371/2.3=2...(10) QD1 LEU 117 + HD2 PRO 60 OK 19 83 - 23 - 3425/3.8=5, 4.6/7093=3...(6) QG1 VAL 49 + HD2 PRO 60 OK 14 99 - 14 - 8492/2.3=2, 7089/1.8=2...(5) QD2 LEU 126 + HD2 PRO 60 OK 13 89 - 15 - 3395/3.8=4, 3409/4.8=3...(5) QD1 LEU 126 - HD2 PRO 60 poor 9 85 - 11 - 3395/3.8=3, ~7089=2...(5) HG13 ILE 80 - HD2 PRO 60 lone 8 83 - 10 - 1058/4.8=2, 3395/3.8=2...(5) HB2 GLN 42 - HD2 PRO 60 lone 1 63 - 2 - Peak 7092 from cnoeabs.peaks (8.68, 3.34, 49.63 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.94: H LEU 59 + HD3 PRO 60 OK 94 99 - 95 - 4.8=79, 3.0/8308=36...(10) H LEU 117 - HD3 PRO 60 OK 25 93 - 27 - 3389/3.8=6, 7093/1.8=5...(7) H VAL 120 - HD3 PRO 60 OK 18 73 - 24 - 7093/1.8=5, 3389/3.8=4...(8) H ASN 12 - HD3 PRO 60 lone 10 100 - 9 - 3389/3.8=2, 7093/1.8=2...(5) Peak 7093 from cnoeabs.peaks (8.66, 3.55, 49.63 ppm; 4.70 A): 1 out of 5 assignments used, quality = 0.97: H LEU 59 + HD2 PRO 60 OK 97 98 - 99 - 4.8=95, 3.0/8307=40...(9) H VAL 120 - HD2 PRO 60 OK 36 99 - 36 - 4.6/1800=6, 3403/4.8=5...(13) H LEU 117 - HD2 PRO 60 OK 35 100 - 35 - 3389/3.8=6, 7092/1.8=5...(12) H ASN 12 - HD2 PRO 60 OK 11 96 - 11 - 7092/1.8=2, 3389/3.8=2...(5) H ASN 106 - HD2 PRO 60 poor 8 73 - 10 - 2.9/8307=3, ~8308=2, 1304/3.8=1 Peak 7101 from cnoeabs.peaks (0.84, 3.99, 64.81 ppm; 4.84 A): 5 out of 8 assignments used, quality = 0.94: QD1 LEU 59 + HA THR 62 OK 57 100 - 57 - ~7079=13, ~7078=12...(10) QD2 LEU 55 + HA THR 62 OK 49 97 - 51 - 7104/3.0=9, 7117/3.2=9...(12) QD1 LEU 93 + HA THR 62 OK 40 98 - 40 - 7607=11, 8378/3.2=10...(9) HG13 ILE 22 + HA THR 62 OK 38 100 - 38 - 7094/3.0=6, 7117/3.2=5...(15) QD2 LEU 114 + HA THR 62 OK 27 93 - 29 - 7960/3.2=10, 7094/3.0=4...(9) QD2 LEU 91 - HA THR 62 OK 18 78 - 22 - 8369/3.2=5, ~8365=3...(6) HB2 ASN 118 - HA THR 62 OK 16 90 - 17 - 4.0/597=5, 4.6/1788=5...(4) QG1 VAL 115 - HA THR 62 OK 15 99 - 15 - 7117/3.2=2, 7094/3.0=2...(5) Peak 7102 from cnoeabs.peaks (0.93, 3.99, 64.81 ppm; 5.05 A): 4 out of 12 assignments used, quality = 0.95: QD1 ILE 63 + HA THR 62 OK 70 99 - 71 - 7149/3.2=34, 3533/3.6=16...(11) QD1 LEU 55 + HA THR 62 OK 57 100 - 57 - 2.1/7101=8, 7103/3.0=7...(16) QG2 ILE 22 + HA THR 62 OK 40 97 - 41 - 3.2/7101=5, 7103/3.0=4...(17) QD1 LEU 117 + HA THR 62 OK 35 71 - 50 - 2.1/5166=10, 3.1/5138=9...(12) QG2 ILE 124 - HA THR 62 OK 25 73 - 34 - 7095/3.0=6, ~5936=4...(11) QD2 LEU 27 - HA THR 62 OK 24 97 - 25 - 6537/3.0=6, 1072/3.6=3...(9) QD1 LEU 27 - HA THR 62 OK 21 99 - 22 - ~6537=4, 1072/3.6=3...(8) QG2 VAL 115 - HA THR 62 OK 15 97 - 15 - 2.1/7101=2, 7103/3.0=2...(7) QD1 LEU 41 - HA THR 62 OK 14 100 - 14 - 1072/3.6=3, 2.1/6755=2...(5) QG2 VAL 49 - HA THR 62 lone 9 93 - 9 - 1072/3.6=2, ~8493=1...(4) QD1 LEU 126 - HA THR 62 poor 8 68 - 11 - ~7078=2, ~7094=1...(5) HB2 GLN 42 - HA THR 62 lone 4 89 - 5 - Peak 7103 from cnoeabs.peaks (0.94, 3.92, 69.57 ppm; 4.47 A): 4 out of 11 assignments used, quality = 0.91: QD1 ILE 63 + HB THR 62 OK 71 100 - 71 - 7149/2.1=36, 5.0/5661=14...(9) QD1 LEU 55 + HB THR 62 OK 48 100 - 48 - 2.1/7104=10, 2.1/7106=8...(10) QG2 ILE 22 + HB THR 62 OK 26 92 - 29 - 3.2/7106=5, 3.2/7104=4...(10) QD1 LEU 117 + HB THR 62 OK 20 57 - 34 - 2.1/3493=5, 3.8/3491=5...(11) QG2 ILE 124 - HB THR 62 OK 17 85 - 20 - 7095/3.9=5, 3.2/7108=3...(7) QD2 LEU 27 - HB THR 62 OK 15 90 - 17 - 6537/3.9=4, 1072/4.4=2...(6) QD1 LEU 27 - HB THR 62 OK 13 95 - 13 - 1072/4.4=2, 7102/3.0=2...(6) QD1 LEU 41 - HB THR 62 OK 11 99 - 11 - 1072/4.4=2, 7095/3.9=1...(5) QG2 VAL 115 - HB THR 62 OK 11 92 - 12 - 2.1/7104=2, ~7117=2...(4) QG2 VAL 49 - HB THR 62 lone 7 85 - 8 - 2.1/8496=2, ~8493=1, 1072/4.4=1 HB2 GLN 42 - HB THR 62 lone 3 78 - 3 - Peak 7104 from cnoeabs.peaks (0.85, 3.92, 69.57 ppm; 4.16 A): 5 out of 9 assignments used, quality = 0.88: QD1 LEU 59 + HB THR 62 OK 51 99 - 52 - ~7079=13, ~7078=12...(10) QD2 LEU 55 + HB THR 62 OK 48 100 - 48 - 7117/2.1=9, 7013=8...(11) HG13 ILE 22 + HB THR 62 OK 24 97 - 25 - 1.8/7106=5, 7117/2.1=5...(8) QD2 LEU 114 + HB THR 62 OK 22 100 - 22 - 7960/2.1=11, 7094/3.9=3...(4) QD1 LEU 93 + HB THR 62 OK 22 83 - 27 - 8378/2.1=9, 7607/3.0=7...(6) QG1 VAL 115 - HB THR 62 lone 8 85 - 10 - 7117/2.1=2, 2.1/7103=1...(4) QD2 LEU 126 - HB THR 62 poor 8 76 - 11 - ~7078=2, 7117/2.1=1...(7) HB2 ASN 118 - HB THR 62 lone 4 65 - 6 - 7117/2.1=2, ~8022=1, 7101/3.0=1 HG13 ILE 80 - HB THR 62 lone 3 83 - 3 - ~7409=1 Peak 7105 from cnoeabs.peaks (1.60, 3.92, 69.57 ppm; 4.59 A): 5 out of 17 assignments used, quality = 0.93: HG12 ILE 63 + HB THR 62 OK 60 100 - 61 - ~7149=25, 5.2/5661=14...(8) HB2 LEU 59 + HB THR 62 OK 40 65 - 61 - ~7079=22, ~7116=19...(9) HG3 ARG 81 + HB THR 62 OK 34 89 - 38 - 2.9/7107=8, 4.0/3491=6...(13) HG2 ARG 81 + HB THR 62 OK 34 89 - 38 - 2.9/7107=8, 4.0/3491=6...(13) HG2 ARG 53 + HB THR 62 OK 31 95 - 33 - ~7113=6, ~6970=6...(12) HB3 LEU 126 - HB THR 62 OK 14 99 - 14 - ~7078=3, 7078/2.1=3...(5) HB2 LEU 126 - HB THR 62 OK 14 100 - 14 - ~7078=4, 7078/2.1=3...(5) HD3 LYS 119 - HB THR 62 OK 12 100 - 12 - ~7116=2, 7115/2.1=2...(4) HD2 LYS 119 - HB THR 62 OK 12 100 - 12 - ~7116=2, 7115/2.1=2...(4) HG LEU 126 - HB THR 62 OK 11 100 - 11 - ~7078=3, 7115/2.1=2...(4) HG2 ARG 57 - HB THR 62 lone 7 89 - 8 - 1070/4.4=3 HD2 LYS 31 - HB THR 62 lone 5 73 - 7 - ~7116=1 HD3 LYS 31 - HB THR 62 lone 5 73 - 7 - ~7116=1 HG2 PRO 30 - HB THR 62 lone 5 90 - 5 - HG LEU 101 - HB THR 62 lone 3 78 - 4 - HD2 LYS 32 - HB THR 62 lone 3 95 - 3 - HD3 LYS 32 - HB THR 62 lone 3 95 - 3 - Peak 7106 from cnoeabs.peaks (1.86, 3.92, 69.57 ppm; 4.73 A): 6 out of 15 assignments used, quality = 0.74: HG LEU 55 + HB THR 62 OK 36 78 - 46 - 2.1/7104=11, 2.1/7103=8...(10) HG12 ILE 22 + HB THR 62 OK 25 95 - 26 - 1.8/7104=6, ~7117=4...(8) HG3 PRO 68 + HB THR 62 OK 16 99 - 17 - 8297/2.1=3, ~3496=2...(8) HB VAL 50 + HB THR 62 OK 16 76 - 21 - ~7112=6, 2.1/3493=3...(8) HG LEU 84 + HB THR 62 OK 15 68 - 22 - 7492/3.0=3, ~7490=3...(8) HB2 LYS 119 + HB THR 62 OK 12 76 - 16 - 8032/2.1=5, ~7116=3...(5) HB3 GLU 28 - HB THR 62 lone 6 99 - 6 - 3.0/7108=1, ~7109=1 HG LEU 41 - HB THR 62 lone 5 63 - 8 - 2.1/7103=2, ~6755=1, 7097/3.9=1 HB2 LEU 58 - HB THR 62 lone 5 97 - 5 - 7114/2.1=2 HB3 LYS 31 - HB THR 62 lone 4 76 - 6 - ~7116=1, 7114/2.1=1 HG3 GLU 73 - HB THR 62 lone 4 81 - 5 - 7097/3.9=1 HG2 GLU 73 - HB THR 62 lone 4 78 - 5 - 7097/3.9=1 HB3 LYS 109 - HB THR 62 lone 4 100 - 4 - HB2 ARG 92 - HB THR 62 lone 2 93 - 3 - HB2 GLU 69 - HB THR 62 lone 2 65 - 3 - 3.6/326=1 Peak 7107 from cnoeabs.peaks (2.04, 3.92, 69.57 ppm; 5.19 A): 5 out of 8 assignments used, quality = 0.88: HB3 ARG 81 + HB THR 62 OK 50 96 - 53 - 3.0/3491=9, 4.3/5661=7...(16) HB ILE 63 + HB THR 62 OK 50 73 - 68 - ~7149=24, 4.0/5661=23...(9) HB2 GLU 56 + HB THR 62 OK 28 100 - 28 - 3.0/7108=7, 5747/4.4=5...(9) HB3 ARG 53 + HB THR 62 OK 24 85 - 29 - 7113/2.1=8, 3.0/7105=4...(11) HG3 PRO 60 + HB THR 62 OK 14 99 - 14 - ~6259=3, 7098/3.9=2...(6) HG3 PRO 37 - HB THR 62 lone 8 97 - 8 - 3.8/7108=2, 1068/4.4=1, ~7112=1 HG3 PRO 70 - HB THR 62 lone 5 100 - 5 - HB3 GLU 38 - HB THR 62 lone 3 83 - 4 - Peak 7108 from cnoeabs.peaks (4.15, 3.92, 69.57 ppm; 4.95 A): 5 out of 12 assignments used, quality = 0.84: HA ILE 63 + HB THR 62 OK 51 97 - 53 - 3.0/5661=26, 7109/2.1=14...(5) HA GLU 56 + HB THR 62 OK 38 83 - 46 - 8299/3.9=18, 8302/4.4=10...(10) HA PHE 83 + HB THR 62 OK 23 100 - 23 - 7109/2.1=6, 1067/4.4=4...(7) HA ILE 124 + HB THR 62 OK 22 99 - 23 - 7109/2.1=5, 5935/3.9=5...(6) HA PRO 37 + HB THR 62 OK 11 99 - 11 - 7109/2.1=3, 1067/4.4=2 HA GLU 28 - HB THR 62 lone 9 98 - 9 - 7109/2.1=2, 3.0/7106=1 HB2 SER 113 - HB THR 62 lone 8 100 - 8 - 7109/2.1=2 HB3 SER 72 - HB THR 62 lone 6 97 - 6 - 7281/3.9=2, 7109/2.1=2 HA ALA 98 - HB THR 62 lone 6 96 - 6 - 7109/2.1=2, ~7564=1, 1067/4.4=1 HA ASN 108 - HB THR 62 lone 5 99 - 5 - 7109/2.1=1 HA SER 78 - HB THR 62 lone 3 85 - 4 - HB3 SER 78 - HB THR 62 lone 3 78 - 4 - Peak 7109 from cnoeabs.peaks (4.14, 1.11, 22.11 ppm; 4.37 A): 4 out of 12 assignments used, quality = 0.74: HA ILE 63 + QG2 THR 62 OK 53 100 - 53 - 4.2/7149=23, ~5661=13...(6) HA PHE 83 + QG2 THR 62 OK 22 97 - 23 - 1067/4.0=4, 6148/7526=4...(6) HA ILE 124 + QG2 THR 62 OK 20 100 - 20 - 5935/4.0=4, 7108/2.1=3...(7) HA PRO 37 + QG2 THR 62 OK 11 100 - 11 - 1067/4.0=2, 7108/2.1=2...(4) HA ARG 57 - QG2 THR 62 poor 9 73 - 12 - 3.6/7118=3, 1067/4.0=3...(4) HA GLU 28 - QG2 THR 62 lone 7 83 - 8 - 7108/2.1=1 HB2 SER 113 - QG2 THR 62 lone 6 92 - 7 - 7108/2.1=1 HA ALA 98 - QG2 THR 62 lone 6 100 - 6 - 2.1/7564=1, 1067/4.0=1 HB3 SER 72 - QG2 THR 62 lone 6 100 - 6 - 7281/4.0=1, 1.8/7111=1 HA ASN 108 - QG2 THR 62 lone 4 100 - 4 - HB3 SER 78 - QG2 THR 62 lone 4 97 - 4 - HA3 GLY 25 - QG2 THR 62 lone 2 73 - 3 - Peak 7110 from cnoeabs.peaks (3.72, 1.11, 22.11 ppm; 3.59 A): 2 out of 6 assignments used, quality = 0.80: HA3 GLY 86 + QG2 THR 62 OK 61 100 - 61 - 7513=27, 1.8/7509=23...(8) HB3 SER 90 + QG2 THR 62 OK 49 96 - 51 - 1.8/7574=24, 7578=23...(7) HA GLU 73 - QG2 THR 62 lone 3 78 - 4 - HB2 TRP 20 - QG2 THR 62 lone 3 90 - 3 - HA LEU 54 - QG2 THR 62 lone 2 68 - 3 - HA2 GLY 104 - QG2 THR 62 lone 1 99 - 1 - Peak 7111 from cnoeabs.peaks (3.79, 1.11, 22.11 ppm; 3.86 A): 3 out of 11 assignments used, quality = 0.72: HB2 SER 90 + QG2 THR 62 OK 61 100 - 62 - 7574=34, 1.8/7578=27...(6) HA2 GLY 61 + QG2 THR 62 OK 20 100 - 20 - 3.6/1065=19 HA2 GLY 88 + QG2 THR 62 OK 10 89 - 11 - 4.3/7564=5, ~1708=2...(4) HA3 GLY 88 - QG2 THR 62 poor 9 81 - 11 - 4.3/7564=5, ~1708=2...(4) HB2 SER 72 - QG2 THR 62 lone 3 87 - 3 - 1.8/7109=1 HB2 SER 74 - QG2 THR 62 lone 2 96 - 3 - HB3 SER 74 - QG2 THR 62 lone 2 95 - 3 - HD2 PRO 30 - QG2 THR 62 lone 2 63 - 4 - HB2 SER 29 - QG2 THR 62 lone 2 85 - 2 - HB3 SER 29 - QG2 THR 62 lone 2 83 - 2 - HA3 GLY 39 - QG2 THR 62 lone 2 93 - 2 - Peak 7112 from cnoeabs.peaks (3.40, 1.11, 22.11 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.75: HA2 GLY 86 + QG2 THR 62 OK 67 100 - 68 - 7509=30, 1.8/7513=26...(10) HA VAL 50 + QG2 THR 62 OK 23 93 - 24 - 3.6/5662=3, 5601/4.0=3...(11) HA LEU 21 - QG2 THR 62 poor 9 78 - 11 - 7154/7149=2, 3.6/3494=2 HD2 PRO 37 - QG2 THR 62 lone 3 63 - 5 - 3.6/7109=2 Peak 7113 from cnoeabs.peaks (2.02, 1.11, 22.11 ppm; 4.54 A): 4 out of 8 assignments used, quality = 0.69: HB2 LEU 55 + QG2 THR 62 OK 37 85 - 44 - 3.1/7117=8, 3.0/8297=8...(13) HB3 ARG 53 + QG2 THR 62 OK 35 100 - 35 - 4.0/7120=8, 3.6/6970=7...(12) HB2 GLU 56 + QG2 THR 62 OK 16 78 - 21 - ~7108=4, ~7023=3...(8) HB2 LYS 46 + QG2 THR 62 OK 10 78 - 13 - 2.9/7116=3, 2.9/7116=3...(4) HG3 PRO 60 - QG2 THR 62 lone 6 63 - 9 - 7074/7087=2, ~6259=2...(4) HG2 PRO 60 - QG2 THR 62 lone 5 65 - 8 - ~6259=2, ~7107=2...(4) HB2 GLU 94 - QG2 THR 62 lone 4 78 - 5 - 4.0/7120=2 HG3 PRO 70 - QG2 THR 62 lone 2 76 - 3 - Peak 7114 from cnoeabs.peaks (1.88, 1.11, 22.11 ppm; 4.06 A): 9 out of 15 assignments used, quality = 0.91: HG LEU 55 + QG2 THR 62 OK 46 100 - 46 - 8297=9, 2.1/7117=9...(12) HB2 ARG 81 + QG2 THR 62 OK 28 73 - 38 - 3.0/3495=6, ~7107=5...(16) HB2 LYS 119 + QG2 THR 62 OK 26 100 - 26 - 8032=6, 4.0/8027=4...(10) HB VAL 50 + QG2 THR 62 OK 22 100 - 22 - 3.0/7112=7, 5602/4.0=3...(7) HG3 PRO 68 + QG2 THR 62 OK 18 93 - 19 - 8297=3, 2.3/3496=3...(9) HG LEU 84 + QG2 THR 62 OK 17 100 - 17 - 7492/3.2=3, ~7490=2...(7) HB2 LEU 58 + QG2 THR 62 OK 17 96 - 17 - 4.6/7087=10, 3.9/7118=3 HB ILE 22 + QG2 THR 62 OK 16 71 - 22 - 2.9/7117=4, ~7106=2...(10) HB2 LEU 84 + QG2 THR 62 OK 14 85 - 16 - 6135/3.2=3, ~6137=3...(7) HB3 LYS 31 - QG2 THR 62 lone 9 100 - 9 - 2.9/7116=2, 7080/7079=1 HB2 GLU 28 - QG2 THR 62 lone 4 83 - 5 - 3.0/7109=1 HB3 GLU 28 - QG2 THR 62 lone 4 93 - 5 - 3.0/7109=1 HB3 GLU 73 - QG2 THR 62 lone 4 65 - 6 - HB3 LYS 109 - QG2 THR 62 lone 4 87 - 4 - HB2 ARG 92 - QG2 THR 62 lone 2 99 - 2 - Peak 7115 from cnoeabs.peaks (1.60, 1.11, 22.11 ppm; 3.88 A): 5 out of 17 assignments used, quality = 0.90: HG12 ILE 63 + QG2 THR 62 OK 57 100 - 57 - 2.1/7149=29, 3519/4.0=10...(9) HB2 LEU 59 + QG2 THR 62 OK 45 78 - 57 - 1.8/7079=24, 7078=16...(10) HG2 ARG 53 + QG2 THR 62 OK 32 99 - 33 - 3.0/7113=7, 3.0/6970=6...(11) HG2 ARG 81 + QG2 THR 62 OK 23 78 - 30 - 4.0/3495=4, ~7107=4...(14) HG3 ARG 81 + QG2 THR 62 OK 23 78 - 30 - 4.0/3495=4, ~7107=4...(14) HB3 LEU 126 - QG2 THR 62 OK 16 100 - 16 - 1.8/7078=3, 7078=3...(5) HB2 LEU 126 - QG2 THR 62 OK 16 100 - 16 - 1.8/7078=3, 7078=3...(5) HD3 LYS 119 - QG2 THR 62 OK 15 100 - 15 - 3.7/8032=3, 3.0/7116=3...(5) HD2 LYS 119 - QG2 THR 62 OK 15 99 - 15 - 3.7/8032=3, 3.0/7116=3...(5) HG LEU 126 - QG2 THR 62 OK 13 99 - 13 - 3.0/7078=3, 3.0/7078=2...(5) HD2 LYS 31 - QG2 THR 62 lone 6 85 - 7 - 3.0/7116=2 HD3 LYS 31 - QG2 THR 62 lone 6 85 - 7 - 3.0/7116=2 HG2 ARG 57 - QG2 THR 62 lone 6 78 - 8 - 1070/4.0=2, 3.6/7109=1 HG2 PRO 30 - QG2 THR 62 lone 5 97 - 5 - HG LEU 101 - QG2 THR 62 lone 4 89 - 4 - HD2 LYS 32 - QG2 THR 62 lone 3 99 - 3 - HD3 LYS 32 - QG2 THR 62 lone 3 99 - 3 - Peak 7116 from cnoeabs.peaks (1.35, 1.11, 22.11 ppm; 3.53 A): 1 out of 8 assignments used, quality = 0.50: HB3 LEU 59 + QG2 THR 62 OK 50 100 - 50 - 7079=22, 1.8/7078=14...(8) HG3 LYS 119 - QG2 THR 62 poor 8 65 - 13 - 2.9/8032=3, 4.9/8027=2...(5) QG2 THR 121 - QG2 THR 62 poor 7 63 - 12 - 8087=3, 4.0/623=2, 8093/3.2=2 HG3 LYS 46 - QG2 THR 62 lone 6 87 - 7 - 2.9/7113=2 HG2 LYS 46 - QG2 THR 62 lone 6 87 - 7 - 2.9/7113=2 HG2 LYS 31 - QG2 THR 62 lone 4 78 - 6 - QB ALA 43 - QG2 THR 62 lone 4 95 - 4 - QG2 THR 17 - QG2 THR 62 lone 3 87 - 4 - Peak 7117 from cnoeabs.peaks (0.84, 1.11, 22.11 ppm; 3.12 A): 6 out of 10 assignments used, quality = 0.83: QD1 LEU 59 + QG2 THR 62 OK 36 100 - 36 - 3.2/7079=12, 3.2/7078=8...(7) QD2 LEU 55 + QG2 THR 62 OK 34 100 - 34 - 7104/2.1=5, 3.1/7113=4...(13) QD1 LEU 93 + QG2 THR 62 OK 29 92 - 32 - 8378=11, 7607/3.2=4...(8) QD2 LEU 114 + QG2 THR 62 OK 22 99 - 22 - 7960=10, 7104/2.1=2...(4) HG13 ILE 22 + QG2 THR 62 OK 18 99 - 18 - 7104/2.1=2, 7094/4.0=2...(6) QD2 LEU 91 + QG2 THR 62 OK 12 63 - 19 - 8369=3, 2.1/8372=3...(8) QG1 VAL 115 - QG2 THR 62 lone 8 93 - 9 - HB2 ASN 118 - QG2 THR 62 lone 7 78 - 9 - 4.6/8027=2, 4.0/7118=1 QD2 LEU 126 - QG2 THR 62 lone 5 63 - 8 - 3.1/7078=2, 3.1/7078=1 HG13 ILE 80 - QG2 THR 62 lone 2 71 - 3 - Peak 7118 from cnoeabs.peaks (7.72, 1.11, 22.11 ppm; 5.08 A): 5 out of 7 assignments used, quality = 0.95: H SER 90 + QG2 THR 62 OK 74 100 - 74 - 3.8/7578=31, 3.8/7574=30...(8) H LEU 91 + QG2 THR 62 OK 45 68 - 67 - 4.4/7578=27, 4.4/7574=27...(9) H ASN 118 + QG2 THR 62 OK 32 90 - 36 - 3.6/3495=7, 597/3.2=6...(10) H LEU 58 + QG2 THR 62 OK 29 100 - 30 - 4.6/7087=16, 3.9/7114=3...(5) H LEU 126 + QG2 THR 62 OK 21 100 - 20 - 644/4.0=4, 4.0/7078=3...(6) H LEU 111 - QG2 THR 62 poor 9 81 - 12 - 1751/3.2=2, 5.3/7605=1 HE21 GLN 103 - QG2 THR 62 lone 3 97 - 3 - Peak 7119 from cnoeabs.peaks (5.92, 1.11, 22.11 ppm; 5.32 A): 0 out of 0 assignments used, low quality = 0.00: Peak 7120 from cnoeabs.peaks (8.55, 1.11, 22.11 ppm; 4.58 A): 4 out of 4 assignments used, quality = 0.89: H GLY 86 + QG2 THR 62 OK 77 99 - 78 - 7506=32, 3.0/7513=29...(9) H ARG 53 + QG2 THR 62 OK 40 98 - 41 - 4.0/7113=8, 1619/4.0=7...(12) H GLU 94 + QG2 THR 62 OK 12 95 - 12 - 464/8378=2, 7126/7149=1 H LEU 41 + QG2 THR 62 OK 11 97 - 12 - 7126/7149=2 Peak 7122 from cnoeabs.peaks (7.21, 4.14, 58.43 ppm; 4.24 A): 6 out of 6 assignments used, quality = 0.91: H LYS 65 + HA ILE 63 OK 73 99 - 74 - 299/3.6=36, 7125/3.2=17...(12) QD TYR 67 + HA ILE 63 OK 34 99 - 34 - 7125/3.2=7, 4684=6...(7) QD PHE 107 + HA ILE 63 OK 23 85 - 28 - 7125/3.2=5, 1471/3.6=4...(8) QE PHE 40 + HA ILE 63 OK 15 95 - 16 - 7125/3.2=3, 1471/3.6=2...(5) QD TYR 102 + HA ILE 63 OK 14 90 - 16 - 1471/3.6=3, 7125/3.2=3...(5) HE ARG 81 + HA ILE 63 OK 14 71 - 20 - 7130/4.2=3, 4.0/3502=3...(8) Peak 7123 from cnoeabs.peaks (7.96, 0.76, 17.61 ppm; 4.66 A): 4 out of 6 assignments used, quality = 0.80: H VAL 66 + QG2 ILE 63 OK 57 100 - 57 - 4.6/7125=14, 1093=10...(12) H ARG 92 + QG2 ILE 63 OK 25 100 - 25 - 4.2/7138=3, 449=3...(8) H ALA 89 + QG2 ILE 63 OK 21 100 - 21 - 4.6/7554=4, 2.9/7145=3...(6) H LEU 114 + QG2 ILE 63 OK 20 97 - 21 - 4.6/7124=2, 7558/3.2=2...(7) H SER 44 - QG2 ILE 63 lone 8 95 - 9 - 6820/6900=3 HE ARG 85 - QG2 ILE 63 lone 5 81 - 6 - 7.2/417=1 Peak 7124 from cnoeabs.peaks (7.59, 0.76, 17.61 ppm; 4.71 A): 4 out of 6 assignments used, quality = 0.92: H ARG 57 + QG2 ILE 63 OK 69 100 - 69 - 7129/3.2=13, 4.6/7030=10...(22) H CYS 52 + QG2 ILE 63 OK 63 85 - 75 - 4.0/7142=22, 6944=15...(15) H LYS 119 + QG2 ILE 63 OK 18 99 - 18 - 7129/3.2=3, 1387/3.2=1 H SER 113 + QG2 ILE 63 OK 18 96 - 19 - 4.6/7123=4, 7129/3.2=3...(5) H CYS 76 - QG2 ILE 63 poor 8 65 - 12 - 7129/3.2=2 HD21 ASN 12 - QG2 ILE 63 lone 3 68 - 4 - Peak 7125 from cnoeabs.peaks (7.21, 0.76, 17.61 ppm; 3.53 A): 5 out of 5 assignments used, quality = 0.88: H LYS 65 + QG2 ILE 63 OK 72 100 - 72 - 7165=21, 299/4.3=20...(15) QD TYR 67 + QG2 ILE 63 OK 31 95 - 33 - 7122/3.2=4, 7130/3.2=4...(13) QD PHE 107 + QG2 ILE 63 OK 20 71 - 29 - 4809=4, 2.2/4796=3...(9) QD TYR 102 + QG2 ILE 63 OK 13 97 - 13 - 1471/4.3=2, 7122/3.2=2...(5) QE PHE 40 + QG2 ILE 63 OK 13 99 - 13 - ~7131=2, 7122/3.2=2...(5) Peak 7126 from cnoeabs.peaks (8.54, 0.94, 10.87 ppm; 4.44 A): 4 out of 5 assignments used, quality = 0.94: H ARG 53 + QD1 ILE 63 OK 77 100 - 78 - 4.4/7147=15, 3.6/7146=13...(22) H LEU 41 + QD1 ILE 63 OK 39 100 - 39 - 946/2.1=4, 948=4...(11) H GLY 86 + QD1 ILE 63 OK 39 87 - 44 - 3.0/7154=10, 7507=8...(12) H GLU 94 + QD1 ILE 63 OK 25 100 - 25 - 4.6/7131=5, 463/3.2=3...(5) H GLU 38 - QD1 ILE 63 OK 23 81 - 28 - 4.6/7127=4, 3.8/6715=3...(12) Peak 7127 from cnoeabs.peaks (8.11, 0.94, 10.87 ppm; 4.78 A): 3 out of 6 assignments used, quality = 0.73: H LEU 55 + QD1 ILE 63 OK 46 99 - 46 - 4.0/8310=8, 4.0/8309=6...(12) HD22 ASN 79 + QD1 ILE 63 OK 35 99 - 36 - 4.4/7153=5, 7383=4...(12) H GLY 39 + QD1 ILE 63 OK 24 85 - 28 - 4.4/6715=3, 4.6/7126=3...(10) H LEU 24 - QD1 ILE 63 poor 9 65 - 14 - 4.7/7128=2, 3.6/7152=2...(4) H THR 33 - QD1 ILE 63 lone 8 93 - 8 - H GLN 105 - QD1 ILE 63 lone 7 65 - 10 - 1298/2.1=1, ~4765=1 Peak 7128 from cnoeabs.peaks (7.84, 0.94, 10.87 ppm; 4.57 A): 4 out of 5 assignments used, quality = 0.87: H PHE 83 + QD1 ILE 63 OK 70 99 - 71 - 7465=15, 3.6/7153=11...(17) H GLY 88 + QD1 ILE 63 OK 33 83 - 40 - 4.2/7147=13, 3.6/7534=7...(8) H ASN 79 + QD1 ILE 63 OK 28 100 - 28 - 3.0/7153=5, 5.6/7127=5...(8) H GLY 25 + QD1 ILE 63 OK 12 76 - 16 - 3.0/6485=3, 6483=2...(6) HD21 ASN 99 - QD1 ILE 63 lone 6 95 - 6 - Peak 7129 from cnoeabs.peaks (7.58, 0.94, 10.87 ppm; 4.52 A): 4 out of 5 assignments used, quality = 0.92: H ARG 57 + QD1 ILE 63 OK 67 99 - 69 - 7124/3.2=11, 1040/2.1=8...(25) H CYS 52 + QD1 ILE 63 OK 64 93 - 69 - 4.0/7147=17, 3.0/7146=16...(14) H LYS 119 + QD1 ILE 63 OK 17 97 - 18 - 7124/3.2=3, 8027/7149=2...(4) H SER 113 + QD1 ILE 63 OK 16 99 - 16 - 7124/3.2=3, 4.6/7558=1...(5) H CYS 76 - QD1 ILE 63 poor 9 78 - 11 - 7124/3.2=1, 360/2.1=1 Peak 7130 from cnoeabs.peaks (7.20, 0.94, 10.87 ppm; 4.48 A): 6 out of 6 assignments used, quality = 0.95: H LYS 65 + QD1 ILE 63 OK 67 96 - 70 - 4.6/5668=25, 7165/3.2=17...(11) QD TYR 67 + QD1 ILE 63 OK 49 100 - 49 - 7125/3.2=7, 4690=6...(11) QD PHE 107 + QD1 ILE 63 OK 36 93 - 39 - 4809/3.2=5, 2.4/8646=4...(12) HE ARG 81 + QD1 ILE 63 OK 32 83 - 38 - 2.9/8647=9, 2.9/7151=5...(15) QE PHE 40 + QD1 ILE 63 OK 20 87 - 23 - 2.2/7131=7, 7125/3.2=3...(7) QD TYR 102 + QD1 ILE 63 OK 15 81 - 19 - 7125/3.2=3, 7122/4.2=2...(7) Peak 7131 from cnoeabs.peaks (7.11, 0.94, 10.87 ppm; 4.54 A): 4 out of 6 assignments used, quality = 0.73: QD PHE 83 + QD1 ILE 63 OK 31 99 - 31 - 4.6/7128=11, 3.7/8355=9...(4) HE ARG 53 + QD1 ILE 63 OK 31 57 - 54 - 4.7/8310=9, 4.7/8309=7...(14) H LEU 93 + QD1 ILE 63 OK 27 92 - 30 - 453/2.1=3, 3.0/7611=3...(7) QD PHE 40 + QD1 ILE 63 OK 23 95 - 25 - 4.5/7126=5, 2.2/7130=3...(9) HE ARG 92 - QD1 ILE 63 lone 9 100 - 9 - HZ PHE 96 - QD1 ILE 63 lone 5 65 - 7 - 5.8/7150=1 Peak 7132 from cnoeabs.peaks (7.62, 1.82, 25.84 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.81: H GLU 56 + HG13 ILE 63 OK 65 100 - 66 - 7133/1.8=21, 7030/3.2=15...(17) H ARG 57 + HG13 ILE 63 OK 46 68 - 67 - 7133/1.8=15, 3.0/3294=7...(23) H LYS 119 - HG13 ILE 63 poor 9 76 - 12 - 7133/1.8=3, 7124/3.2=1 HD21 ASN 12 - HG13 ILE 63 lone 4 100 - 4 - 7133/1.8=1 Peak 7133 from cnoeabs.peaks (7.62, 1.60, 25.84 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.82: H GLU 56 + HG12 ILE 63 OK 67 100 - 67 - 7132/1.8=21, 7030/3.2=15...(14) H ARG 57 + HG12 ILE 63 OK 47 68 - 69 - 7132/1.8=15, 3.6/7022=7...(25) H LYS 119 - HG12 ILE 63 poor 10 76 - 13 - 7132/1.8=3, 1387=1, 7124/3.2=1 HD21 ASN 12 - HG12 ILE 63 lone 4 100 - 4 - 7132/1.8=1 Peak 7135 from cnoeabs.peaks (2.23, 4.14, 58.43 ppm; 4.89 A): 4 out of 13 assignments used, quality = 0.94: HG3 GLU 64 + HA ILE 63 OK 69 100 - 69 - 5.0/5663=31, 3.0/8684=8...(20) HG2 GLU 56 + HA ILE 63 OK 60 93 - 65 - 7025/3.2=15, ~7026=13...(20) HB3 PRO 37 + HA ILE 63 OK 33 89 - 37 - 2.3/2685=4, 3.0/2650=3...(21) HG2 GLU 38 + HA ILE 63 OK 31 99 - 32 - 1078/3.6=3, 7140/3.2=3...(15) HG3 GLU 38 - HA ILE 63 OK 31 98 - 32 - 1078/3.6=3, 7140/3.2=3...(15) HB2 PRO 70 - HA ILE 63 OK 22 96 - 23 - 7140/3.2=2, 3814/3.0=2...(11) HG3 GLU 28 - HA ILE 63 OK 19 100 - 18 - 3564/3.6=5, 6568/3.2=2...(6) HG2 GLU 28 - HA ILE 63 OK 18 100 - 18 - 3564/3.6=5, 6568/3.2=2...(6) HG3 GLU 15 - HA ILE 63 OK 18 85 - 21 - 5448/3.0=5, ~5447=4...(6) HG2 PRO 37 - HA ILE 63 OK 17 57 - 29 - 2.3/2650=3, 2.3/2657=3...(14) HG2 GLU 94 - HA ILE 63 OK 13 99 - 13 - 3564/3.6=5, 7140/3.2=1 HB3 LEU 117 - HA ILE 63 OK 12 100 - 12 - ~289=2, ~291=1, 8010/3.2=1 HB2 PRO 68 - HA ILE 63 lone 9 100 - 9 - ~7236=2, ~290=2, 7140/3.2=1 Peak 7136 from cnoeabs.peaks (2.51, 4.14, 58.43 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.93: HG2 GLU 82 + HA ILE 63 OK 91 98 - 92 - 8438/3.6=32, 8649/3.2=31...(17) HG3 GLN 103 + HA ILE 63 OK 25 97 - 26 - 8649/3.2=8, 7155/3.6=7...(5) HE3 LYS 46 - HA ILE 63 poor 6 57 - 11 - 8649/3.2=3, 7155/3.6=3...(4) Peak 7138 from cnoeabs.peaks (1.74, 0.76, 17.61 ppm; 3.71 A): 4 out of 16 assignments used, quality = 0.83: HB2 ARG 53 + QG2 ILE 63 OK 52 100 - 53 - 8310/3.2=6, 3134/3.2=5...(25) HB VAL 66 + QG2 ILE 63 OK 43 97 - 45 - 3669=8, 4.0/7123=7...(15) HB3 LEU 55 + QG2 ILE 63 OK 23 85 - 28 - 4.2/7030=6, 8310/3.2=5...(9) HB2 LEU 91 + QG2 ILE 63 OK 19 100 - 19 - 4.2/7123=3, 4385=2...(6) HB2 LYS 31 - QG2 ILE 63 lone 7 96 - 7 - HG3 PRO 30 - QG2 ILE 63 lone 5 65 - 7 - HB3 LYS 46 - QG2 ILE 63 lone 5 92 - 5 - 4.7/8649=1 HG LEU 117 - QG2 ILE 63 lone 4 68 - 6 - HG2 ARG 71 - QG2 ILE 63 lone 3 99 - 3 - HG2 GLN 42 - QG2 ILE 63 lone 3 76 - 5 - HB3 LEU 77 - QG2 ILE 63 lone 3 68 - 4 - HB3 ARG 71 - QG2 ILE 63 lone 3 99 - 3 - HG3 ARG 71 - QG2 ILE 63 lone 2 83 - 3 - HB2 LEU 45 - QG2 ILE 63 lone 1 89 - 2 - HD2 LYS 109 - QG2 ILE 63 lone 1 68 - 2 - HD3 LYS 109 - QG2 ILE 63 lone 1 60 - 2 - Peak 7139 from cnoeabs.peaks (1.94, 0.76, 17.61 ppm; 4.14 A): 2 out of 15 assignments used, quality = 0.97: HB2 GLU 64 + QG2 ILE 63 OK 82 100 - 82 - 4.0/5665=27, 3.0/7145=18...(34) HB3 GLU 64 + QG2 ILE 63 OK 82 100 - 82 - 4.0/5665=27, 3.0/7145=18...(34) HB2 GLU 38 - QG2 ILE 63 OK 34 100 - 34 - 3.0/6709=5, 6715/3.2=3...(16) HB2 LEU 21 - QG2 ILE 63 OK 19 93 - 20 - ~7154=4, 2109/2.1=2...(7) HB3 GLU 69 - QG2 ILE 63 OK 17 100 - 17 - 3773/3.2=2, 1.8/3517=2 HB ILE 80 - QG2 ILE 63 OK 15 87 - 17 - 4.4/7431=5, 2.1/7402=4...(4) HB3 GLU 94 - QG2 ILE 63 OK 13 95 - 14 - 2.9/7145=3, 4.0/463=2...(4) HB3 LYS 119 - QG2 ILE 63 OK 12 100 - 12 - 4.0/7124=2 HB2 ARG 85 - QG2 ILE 63 OK 12 99 - 12 - 4.0/417=2, 6715/3.2=1, ~7152=1 HB3 ARG 85 - QG2 ILE 63 OK 12 99 - 12 - 4.0/417=2, 6715/3.2=1, ~7152=1 HG LEU 58 - QG2 ILE 63 OK 10 99 - 10 - 4.3/7145=3, 1075/4.3=1 HB3 PRO 30 - QG2 ILE 63 lone 10 99 - 10 - 2.3/7138=1 HB3 GLU 73 - QG2 ILE 63 lone 5 60 - 8 - HB2 LYS 109 - QG2 ILE 63 lone 4 100 - 4 - HB3 MET 11 - QG2 ILE 63 lone 2 73 - 2 - Peak 7140 from cnoeabs.peaks (2.22, 0.76, 17.61 ppm; 4.50 A): 5 out of 14 assignments used, quality = 0.95: HG3 GLU 64 + QG2 ILE 63 OK 68 90 - 75 - 5.0/5665=24, 3.9/7145=18...(27) HG2 GLU 56 + QG2 ILE 63 OK 49 71 - 70 - 1.8/7026=18, 7025=13...(30) HB3 PRO 37 + QG2 ILE 63 OK 32 99 - 32 - 2.3/3513=3, 7135/3.2=2...(19) HG2 GLU 38 + QG2 ILE 63 OK 31 85 - 37 - 4.0/6709=5, 3.0/7139=4...(16) HG3 GLU 38 + QG2 ILE 63 OK 30 83 - 37 - 4.0/6709=5, 3.0/7139=4...(16) HB2 PRO 70 - QG2 ILE 63 OK 25 76 - 32 - 2.3/7141=4, 3814/2.1=2...(16) HG2 PRO 37 - QG2 ILE 63 OK 22 85 - 26 - 2685/3.2=2, 3.8/3513=2...(14) HG2 GLU 28 - QG2 ILE 63 OK 18 98 - 19 - 3564/4.3=3, 6568=2...(5) HG3 GLU 28 - QG2 ILE 63 OK 18 97 - 19 - 3564/4.3=3, 6568=2...(5) HG2 GLU 94 - QG2 ILE 63 OK 15 87 - 17 - 3564/4.3=4, 4.2/7145=2...(5) HB2 PRO 68 - QG2 ILE 63 OK 15 95 - 16 - 3.0/7236=3, 3.0/7236=3...(4) HB3 LEU 117 - QG2 ILE 63 OK 11 96 - 11 - 3.0/8004=1, 4.0/8002=1 HB VAL 26 - QG2 ILE 63 poor 9 68 - 13 - ~7146=1, ~8218=1...(5) HG3 GLU 15 - QG2 ILE 63 poor 6 57 - 11 - 5448/4.0=2, 7135/3.2=1 Peak 7141 from cnoeabs.peaks (2.33, 0.76, 17.61 ppm; 3.90 A): 3 out of 9 assignments used, quality = 0.98: HB2 GLU 82 + QG2 ILE 63 OK 77 99 - 78 - 3.0/7143=23, 3.0/8649=21...(22) HB3 GLU 82 + QG2 ILE 63 OK 77 99 - 78 - 3.0/7143=23, 3.0/8649=21...(22) HG3 GLU 56 + QG2 ILE 63 OK 52 87 - 60 - 7026=12, 1.8/7025=12...(23) HB3 PRO 60 - QG2 ILE 63 OK 32 93 - 34 - 7148/3.2=3, 1.8/3517=3...(14) HG2 PRO 70 - QG2 ILE 63 OK 24 92 - 27 - 7148/3.2=2, 2.3/7140=2...(14) HB2 LEU 54 - QG2 ILE 63 lone 7 100 - 7 - 7148/3.2=1 HG2 GLN 16 - QG2 ILE 63 poor 7 60 - 11 - 4.9/3512=2, 1958/4.0=2 HB VAL 18 - QG2 ILE 63 lone 5 73 - 7 - ~8392=1 HB3 ASN 118 - QG2 ILE 63 lone 3 85 - 4 - 4.6/7124=2 Peak 7142 from cnoeabs.peaks (2.46, 0.76, 17.61 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.74: HB2 CYS 52 + QG2 ILE 63 OK 63 97 - 65 - 6950=17, 7147/3.2=13...(20) HB3 CYS 87 + QG2 ILE 63 OK 31 99 - 31 - 7147/3.2=10, 7546=4...(8) HG3 MET 11 - QG2 ILE 63 lone 1 60 - 2 - Peak 7143 from cnoeabs.peaks (2.95, 0.76, 17.61 ppm; 3.91 A): 1 out of 6 assignments used, quality = 0.85: HG3 GLU 82 + QG2 ILE 63 OK 85 100 - 85 - 1.8/8649=27, 7455=24...(17) HB3 PHE 96 - QG2 ILE 63 lone 7 81 - 9 - 3.6/7630=2, 2.4/4713=2 HE2 LYS 31 - QG2 ILE 63 lone 4 85 - 5 - HE3 LYS 31 - QG2 ILE 63 lone 4 85 - 5 - HE3 LYS 32 - QG2 ILE 63 lone 4 63 - 6 - 7150/3.2=1, ~7150=1 HE2 LYS 32 - QG2 ILE 63 lone 4 60 - 6 - 7150/3.2=1, ~7150=1 Peak 7144 from cnoeabs.peaks (3.11, 0.76, 17.61 ppm; 4.22 A): 3 out of 8 assignments used, quality = 0.96: HB3 CYS 52 + QG2 ILE 63 OK 77 99 - 78 - 1.8/7142=29, 6952=17...(19) HD3 ARG 57 + QG2 ILE 63 OK 63 90 - 70 - 3.5/3517=6, 6.0/7124=5...(44) HD3 ARG 53 + QG2 ILE 63 OK 56 95 - 60 - 3.6/7138=9, 3174/3.2=6...(27) HD3 ARG 81 - QG2 ILE 63 OK 45 78 - 57 - 4.7/7433=5, ~8647=5...(34) HB2 PHE 107 - QG2 ILE 63 OK 30 100 - 30 - 2.4/7125=6, 1.8/8650=4...(10) HB3 CYS 76 - QG2 ILE 63 lone 8 99 - 8 - HB3 ASP 100 - QG2 ILE 63 lone 5 99 - 5 - HB3 HIS 10 - QG2 ILE 63 lone 2 76 - 2 - Peak 7145 from cnoeabs.peaks (4.25, 0.76, 17.61 ppm; 3.87 A): 4 out of 9 assignments used, quality = 0.89: HA GLU 64 + QG2 ILE 63 OK 83 100 - 83 - 2.9/5665=31, 3.6/7125=13...(23) HA LEU 58 + QG2 ILE 63 OK 16 100 - 16 - 3540/4.3=3, 7055=3...(7) HA GLU 94 + QG2 ILE 63 OK 12 92 - 13 - 3.0/463=3, 1074/4.3=2...(5) HA ALA 89 + QG2 ILE 63 OK 10 93 - 11 - 2.9/7123=4, 3.6/7569=2 HA GLN 103 - QG2 ILE 63 poor 9 85 - 11 - 4.0/8649=4, 1074/4.3=2...(4) HA THR 17 - QG2 ILE 63 lone 5 78 - 7 - 3.0/6334=1 HB THR 19 - QG2 ILE 63 lone 5 99 - 5 - ~6375=1 HA3 GLY 48 - QG2 ILE 63 lone 3 98 - 3 - HA ALA 122 - QG2 ILE 63 lone 1 92 - 1 - Peak 7146 from cnoeabs.peaks (4.23, 0.94, 10.87 ppm; 3.46 A): 4 out of 11 assignments used, quality = 0.83: HA CYS 52 + QD1 ILE 63 OK 62 99 - 63 - 3.0/7147=13, 6947=13...(18) HA VAL 66 + QD1 ILE 63 OK 33 95 - 35 - 3.2/3536=5, 3664/3.2=4...(14) HA ILE 22 + QD1 ILE 63 OK 20 96 - 21 - 4.9/7154=3, 2143=2...(6) HA VAL 26 + QD1 ILE 63 OK 14 99 - 14 - 8311/2.1=1, 6287=1 HA SER 13 - QD1 ILE 63 lone 8 96 - 9 - HA THR 17 - QD1 ILE 63 lone 7 99 - 7 - HA LEU 126 - QD1 ILE 63 lone 5 85 - 6 - HA LEU 58 - QD1 ILE 63 lone 5 68 - 7 - ~266=2, ~267=1 HA ALA 89 - QD1 ILE 63 lone 4 92 - 5 - ~7123=1, 2.9/7558=1 HB THR 19 - QD1 ILE 63 lone 4 81 - 5 - 2.1/6375=2 HA3 GLY 48 - QD1 ILE 63 lone 3 83 - 4 - Peak 7147 from cnoeabs.peaks (2.47, 0.94, 10.87 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.67: HB2 CYS 52 + QD1 ILE 63 OK 47 76 - 63 - 7142/3.2=16, 3.0/7146=12...(16) HB3 CYS 87 + QD1 ILE 63 OK 37 99 - 37 - 7544=8, 7142/3.2=8...(8) Peak 7148 from cnoeabs.peaks (2.33, 0.94, 10.87 ppm; 3.93 A): 3 out of 9 assignments used, quality = 0.97: HB2 GLU 82 + QD1 ILE 63 OK 75 96 - 78 - 3.0/8648=23, 3.0/7150=22...(17) HB3 GLU 82 + QD1 ILE 63 OK 75 96 - 78 - 3.0/8648=23, 3.0/7150=22...(17) HG3 GLU 56 + QD1 ILE 63 OK 58 96 - 61 - 7026/3.2=11, 8500=8...(26) HB3 PRO 60 - QD1 ILE 63 OK 35 99 - 35 - 2.3/8309=5, 1.8/3538=3...(16) HG2 PRO 70 - QD1 ILE 63 OK 23 81 - 28 - 7462=3, 2.3/7262=2...(10) HB2 LEU 54 - QD1 ILE 63 OK 13 100 - 13 - 4.6/7127=6 HB VAL 120 - QD1 ILE 63 poor 9 57 - 15 - 2.1/7149=7, 7134/5.0=1 HG2 GLN 16 - QD1 ILE 63 poor 8 76 - 11 - 4.9/3533=2, 1958/5.0=2 HB3 ASN 118 - QD1 ILE 63 lone 3 71 - 4 - 4.6/7129=2 Peak 7149 from cnoeabs.peaks (1.10, 0.94, 10.87 ppm; 3.69 A): 0 out of 2 assignments used, low quality = 0.42: QG2 THR 62 - QD1 ILE 63 OK 42 97 - 43 - 4.0/3533=9, 2.1/7103=7...(10) QG2 VAL 120 - QD1 ILE 63 poor 10 73 - 13 - 291/5.0=2, 8053/3.2=1 Peak 7150 from cnoeabs.peaks (2.94, 0.94, 10.87 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.85: HG3 GLU 82 + QD1 ILE 63 OK 85 99 - 86 - 1.8/8648=33, 7454=26...(16) HB3 PHE 96 - QD1 ILE 63 lone 7 98 - 7 - 7143/3.2=2, ~4713=1 HE3 LYS 32 - QD1 ILE 63 lone 6 90 - 7 - 7143/3.2=1 HE2 LYS 32 - QD1 ILE 63 lone 6 89 - 7 - 7143/3.2=1 Peak 7151 from cnoeabs.peaks (3.11, 0.94, 10.87 ppm; 4.82 A): 4 out of 8 assignments used, quality = 0.99: HB3 CYS 52 + QD1 ILE 63 OK 84 99 - 85 - 1.8/7147=27, ~7142=18...(17) HD3 ARG 53 + QD1 ILE 63 OK 74 95 - 78 - 3.6/8310=12, 3.6/8309=11...(30) HD3 ARG 57 + QD1 ILE 63 OK 68 90 - 75 - 7144/3.2=8, 6.0/7129=7...(32) HD3 ARG 81 + QD1 ILE 63 OK 51 78 - 65 - 1.8/8647=12, 7144/3.2=6...(31) HB2 PHE 107 - QD1 ILE 63 OK 35 100 - 35 - 2.4/7130=6, 1.8/8646=5...(10) HB3 CYS 76 - QD1 ILE 63 lone 10 99 - 10 - 4.0/7129=2, 7144/3.2=1 HB3 ASP 100 - QD1 ILE 63 lone 6 99 - 6 - HB3 HIS 10 - QD1 ILE 63 lone 3 76 - 4 - Peak 7152 from cnoeabs.peaks (3.92, 0.94, 10.87 ppm; 4.84 A): 6 out of 13 assignments used, quality = 0.93: HB THR 62 + QD1 ILE 63 OK 74 99 - 75 - 2.1/7149=38, 5661/5.0=16...(10) HD3 PRO 68 + QD1 ILE 63 OK 30 99 - 30 - 4.8/7208=5, 4.8/8646=4...(10) HD2 PRO 68 + QD1 ILE 63 OK 30 97 - 30 - 4.8/7208=5, 4.8/8646=4...(10) HA ARG 85 + QD1 ILE 63 OK 22 98 - 23 - 3.6/7126=6, ~417=2...(9) HA2 GLY 25 + QD1 ILE 63 OK 18 96 - 19 - 6485=4, 6484/2.1=3...(7) HA THR 23 + QD1 ILE 63 OK 13 96 - 13 - 3.6/7127=2, 6453=2...(5) HA ALA 43 - QD1 ILE 63 lone 7 100 - 7 - HA ILE 34 - QD1 ILE 63 lone 5 85 - 6 - 3.2/8251=2 HA3 GLY 125 - QD1 ILE 63 lone 5 57 - 8 - 3.0/640=2 HA2 GLY 125 - QD1 ILE 63 lone 5 57 - 8 - 3.0/640=2 HA SER 74 - QD1 ILE 63 lone 4 68 - 6 - HA3 GLY 2 - QD1 ILE 63 lone 2 85 - 2 - HA2 GLY 2 - QD1 ILE 63 lone 2 85 - 2 - Peak 7153 from cnoeabs.peaks (4.53, 0.94, 10.87 ppm; 5.08 A): 4 out of 8 assignments used, quality = 0.91: HA GLU 82 + QD1 ILE 63 OK 80 95 - 85 - 4.1/8648=27, 4.1/7150=27...(17) HA ASN 79 + QD1 ILE 63 OK 35 92 - 38 - 4.4/7127=8, 3.0/7128=7...(12) HA LEU 27 + QD1 ILE 63 OK 21 100 - 21 - ~8483=3, ~8484=3...(8) HA LEU 91 + QD1 ILE 63 OK 12 68 - 18 - 3.0/8310=4, ~7138=2...(9) HA THR 95 - QD1 ILE 63 lone 8 89 - 9 - ~7627=2, ~7624=1 HA ASN 99 - QD1 ILE 63 poor 7 71 - 10 - 3.0/8646=1, 4.4/7128=1, ~7673=1 HB THR 23 - QD1 ILE 63 lone 7 89 - 8 - 3.0/7152=2, 4.4/7127=2, 4.0/75=2 HB THR 121 - QD1 ILE 63 lone 5 60 - 8 - 4.0/8075=2, ~8085=1 Peak 7154 from cnoeabs.peaks (3.39, 0.94, 10.87 ppm; 5.07 A): 3 out of 3 assignments used, quality = 0.74: HA2 GLY 86 + QD1 ILE 63 OK 40 97 - 42 - 7509/7149=12, 7510=8...(7) HA VAL 50 + QD1 ILE 63 OK 34 99 - 34 - 3.6/3533=5, 5601/5.0=5...(10) HA LEU 21 + QD1 ILE 63 OK 33 90 - 37 - 4.9/7146=4, 6402=4...(17) Peak 7157 from cnoeabs.peaks (0.96, 1.93, 30.87 ppm; 4.66 A): 6 out of 18 assignments used, quality = 0.95: QD1 ILE 63 + HB3 GLU 64 OK 71 92 - 77 - 5668/4.0=29, ~7145=10...(31) QD1 ILE 63 + HB2 GLU 64 OK 71 92 - 77 - 5668/4.0=29, ~7145=10...(31) HG2 LYS 65 + HB3 GLU 64 OK 12 71 - 17 - 4.9/301=9, 3.0/8757=2...(4) HG3 LYS 65 + HB3 GLU 64 OK 12 71 - 17 - 4.9/301=9, 3.0/8757=2...(4) HG2 LYS 65 + HB2 GLU 64 OK 12 71 - 17 - 4.9/301=9, 3.0/8757=2...(4) HG3 LYS 65 + HB2 GLU 64 OK 12 71 - 17 - 4.9/301=9, 3.0/8757=2...(4) QG2 ILE 124 - HB2 GLU 64 lone 9 100 - 9 - 298/4.0=2, 1083/4.6=1 QG2 ILE 124 - HB3 GLU 64 lone 9 100 - 9 - 298/4.0=2, 1083/4.6=1 QD1 LEU 27 - HB3 GLU 64 lone 6 57 - 10 - 298/4.0=2 QD1 LEU 27 - HB2 GLU 64 lone 6 57 - 10 - 298/4.0=2 QD1 LEU 41 - HB3 GLU 64 lone 5 73 - 6 - 298/4.0=2 QD1 LEU 41 - HB2 GLU 64 lone 5 73 - 6 - 298/4.0=2 QD1 LEU 55 - HB3 GLU 64 lone 5 81 - 6 - 298/4.0=2 QD1 LEU 55 - HB2 GLU 64 lone 4 80 - 6 - 298/4.0=2 QG2 THR 95 - HB2 GLU 64 lone 4 85 - 5 - 4.0/468=1 QG2 THR 95 - HB3 GLU 64 lone 4 85 - 5 - 4.0/468=1 QG1 VAL 18 - HB3 GLU 64 lone 4 60 - 7 - 1084/4.6=1 QG1 VAL 18 - HB2 GLU 64 lone 4 60 - 7 - 1084/4.6=1 Peak 7158 from cnoeabs.peaks (0.76, 1.93, 30.87 ppm; 4.74 A): 2 out of 14 assignments used, quality = 0.99: QG2 ILE 63 + HB3 GLU 64 OK 90 100 - 90 - 5665/4.0=34, 7145/3.0=23...(37) QG2 ILE 63 + HB2 GLU 64 OK 90 100 - 90 - 5665/4.0=34, 7145/3.0=23...(37) HG LEU 111 - HB3 GLU 64 OK 25 98 - 26 - 295/4.0=4, 7165/4.6=3...(10) HG LEU 111 - HB2 GLU 64 OK 25 98 - 26 - 295/4.0=4, 7165/4.6=3...(10) QG2 VAL 66 - HB3 GLU 64 OK 19 95 - 20 - 7165/4.6=7, 295/4.0=4...(5) QG2 VAL 66 - HB2 GLU 64 OK 19 94 - 20 - 7165/4.6=7, 295/4.0=4...(5) QD2 LEU 111 - HB3 GLU 64 OK 14 65 - 21 - 2.1/7910=3, ~7910=2...(7) QD2 LEU 111 - HB2 GLU 64 OK 14 65 - 21 - 2.1/7910=3, ~7910=2...(7) QD2 LEU 93 - HB3 GLU 64 OK 12 100 - 12 - 295/4.0=2, 7165/4.6=2 QD2 LEU 93 - HB2 GLU 64 OK 12 100 - 12 - 295/4.0=2, 7165/4.6=2 QD1 LEU 84 - HB3 GLU 64 lone 9 96 - 10 - 7482/4.0=3, 7165/4.6=2 QD1 LEU 84 - HB2 GLU 64 lone 9 95 - 10 - 7482/4.0=3, 7165/4.6=2 QD1 LEU 91 - HB3 GLU 64 lone 6 90 - 7 - 7165/4.6=2, 295/4.0=1 QD1 LEU 91 - HB2 GLU 64 lone 6 90 - 7 - 7165/4.6=2, 295/4.0=1 Peak 7166 from cnoeabs.peaks (0.76, 4.29, 55.54 ppm; 4.11 A): 5 out of 7 assignments used, quality = 0.86: QG2 VAL 66 + HA LYS 65 OK 55 95 - 58 - 4.0/306=20, 7194=19...(9) QG2 ILE 63 + HA LYS 65 OK 48 100 - 48 - 7125/3.0=17, 7123/3.6=10...(10) QD1 LEU 91 + HA LYS 65 OK 16 90 - 18 - 1093/3.6=3, 7165/3.0=3...(7) HG LEU 111 + HA LYS 65 OK 15 98 - 15 - 7165/3.0=4, ~7889=2...(5) QD2 LEU 93 + HA LYS 65 OK 14 100 - 14 - 7165/3.0=3, 1093/3.6=2...(5) QD1 LEU 84 - HA LYS 65 lone 9 96 - 10 - 7165/3.0=2, ~8518=2 QD2 LEU 111 - HA LYS 65 poor 7 65 - 11 - 7165/3.0=2, ~7165=2, ~7889=2 Peak 7167 from cnoeabs.peaks (0.68, 4.29, 55.54 ppm; 4.77 A): 3 out of 6 assignments used, quality = 0.76: QG1 VAL 66 + HA LYS 65 OK 60 92 - 65 - 4.0/306=25, 2.1/7194=18...(10) HG3 GLU 75 + HA LYS 65 OK 29 78 - 38 - 3.6/6094=7, 1092/3.6=6...(14) QD1 LEU 77 + HA LYS 65 OK 15 99 - 15 - 1092/3.6=3, 3663/4.7=2...(5) QD2 LEU 54 - HA LYS 65 poor 9 68 - 13 - 1092/3.6=3, 3663/4.7=3...(4) QD2 LEU 24 - HA LYS 65 poor 9 87 - 10 - 6470/4.0=1, 6470/4.0=1 QD1 LEU 21 - HA LYS 65 lone 2 65 - 4 - Peak 7169 from cnoeabs.peaks (0.77, 1.54, 33.77 ppm; 4.86 A): 5 out of 12 assignments used, quality = 0.92: QG2 VAL 66 + HB2 LYS 65 OK 51 99 - 52 - 7194/3.0=16, 4.0/308=16...(6) QG2 VAL 66 + HB3 LYS 65 OK 51 99 - 52 - 7194/3.0=16, 4.0/308=16...(6) QG2 ILE 63 + HB2 LYS 65 OK 37 100 - 37 - 7125/4.0=17, 7166/3.0=11 QG2 ILE 63 + HB3 LYS 65 OK 37 100 - 37 - 7125/4.0=17, 7166/3.0=11 QD2 LEU 93 + HB2 LYS 65 OK 19 97 - 19 - 7166/3.0=3, 7165/4.0=3...(6) QD2 LEU 93 - HB3 LYS 65 OK 19 97 - 19 - 7166/3.0=3, 7165/4.0=3...(6) QD1 LEU 91 - HB3 LYS 65 OK 15 81 - 19 - 7166/3.0=4, 1093/4.7=3...(6) QD1 LEU 91 - HB2 LYS 65 OK 15 81 - 19 - 7166/3.0=4, 1093/4.7=3...(6) HG LEU 111 - HB3 LYS 65 OK 11 93 - 12 - 7165/4.0=4, 7166/3.0=3...(4) HG LEU 111 - HB2 LYS 65 OK 11 93 - 12 - 7165/4.0=4, 7166/3.0=3...(4) QD1 LEU 84 - HB2 LYS 65 lone 8 89 - 9 - 7165/4.0=2, 7166/3.0=2, ~7486=1 QD1 LEU 84 - HB3 LYS 65 lone 8 89 - 9 - 7165/4.0=2, 7166/3.0=2, ~7486=1 Peak 7173 from cnoeabs.peaks (0.97, 4.21, 59.63 ppm; 4.76 A): 3 out of 8 assignments used, quality = 0.93: HG2 LYS 65 + HA VAL 66 OK 67 93 - 72 - 309/3.0=15, ~310=11...(16) HG3 LYS 65 + HA VAL 66 OK 67 93 - 72 - 309/3.0=15, ~310=11...(16) QD1 ILE 63 + HA VAL 66 OK 37 68 - 54 - 2.1/8311=8, 3.2/3664=8...(15) QG2 THR 95 - HA VAL 66 OK 20 99 - 20 - 7627/3.2=5, 3.2/7176=3...(7) QD1 LEU 101 - HA VAL 66 OK 11 85 - 12 - 310/3.0=3, 3575/4.7=2 QG2 ILE 124 - HA VAL 66 lone 9 98 - 9 - 3574/4.7=2, 310/3.0=2 QD2 LEU 58 - HA VAL 66 lone 5 65 - 8 - 309/3.0=1 QG1 VAL 18 - HA VAL 66 lone 5 87 - 5 - 309/3.0=1 Peak 7174 from cnoeabs.peaks (2.83, 4.21, 59.63 ppm; 4.84 A): 4 out of 10 assignments used, quality = 0.99: HB2 TYR 67 + HA VAL 66 OK 76 99 - 77 - 3.8/5683=39, 2.6/7205=13...(14) HB3 TYR 67 + HA VAL 66 OK 76 99 - 77 - 3.8/5683=39, 2.6/7205=13...(14) HG CYS 52 + HA VAL 66 OK 62 85 - 74 - ~7191=15, ~7182=13...(14) HB2 ASN 79 + HA VAL 66 OK 59 97 - 61 - 3686/3.6=8, ~7196=7...(14) HB3 PHE 107 - HA VAL 66 OK 42 97 - 43 - 2.4/7205=7, ~4809=6...(11) HB2 ASN 99 - HA VAL 66 OK 12 99 - 12 - ~7681=2, ~7683=2...(5) HB2 CYS 76 - HA VAL 66 lone 8 93 - 8 - ~7184=2, ~7189=2 HB2 ASP 36 - HA VAL 66 lone 3 99 - 3 - HE3 LYS 119 - HA VAL 66 lone 2 60 - 4 - HE2 LYS 119 - HA VAL 66 lone 2 57 - 4 - Peak 7175 from cnoeabs.peaks (3.93, 4.21, 59.63 ppm; 5.18 A): 2 out of 13 assignments used, quality = 0.97: HD3 PRO 68 + HA VAL 66 OK 83 95 - 88 - 4.8/5683=36, ~7229=11...(26) HD2 PRO 68 + HA VAL 66 OK 81 92 - 88 - 4.8/5683=36, ~7229=11...(26) HA THR 23 - HA VAL 66 OK 16 99 - 16 - 3.0/73=4, 3.6/1572=3...(5) HA ALA 43 - HA VAL 66 OK 15 99 - 15 - 3.6/3660=3, 5572/3.0=3...(5) HA SER 74 - HA VAL 66 poor 10 81 - 12 - 7298/3.2=4, ~7297=2...(4) HA ARG 85 - HA VAL 66 lone 9 100 - 9 - 6158/3.0=2 HA2 GLY 25 - HA VAL 66 lone 8 99 - 8 - 3.0/6489=2, 3.6/870=2 HB THR 62 - HA VAL 66 lone 6 95 - 6 - 7152/7146=1 HA3 GLY 125 - HA VAL 66 lone 3 71 - 4 - 3.6/1420=1 HA2 GLY 125 - HA VAL 66 lone 3 71 - 4 - 3.6/1420=1 HA ILE 34 - HA VAL 66 lone 2 73 - 3 - HA3 GLY 2 - HA VAL 66 lone 2 73 - 2 - HA2 GLY 2 - HA VAL 66 lone 2 73 - 2 - Peak 7176 from cnoeabs.peaks (4.52, 4.21, 59.63 ppm; 5.14 A): 5 out of 7 assignments used, quality = 0.74: HA LEU 91 + HA VAL 66 OK 45 87 - 52 - 3.0/7583=7, 3.6/3660=7...(20) HA ASN 79 + HA VAL 66 OK 28 76 - 37 - 4.4/7387=7, 4.4/7388=6...(9) HA LEU 27 + HA VAL 66 OK 14 96 - 14 - 6523=3, 3.0/6521=2...(5) HA GLU 82 + HA VAL 66 OK 12 81 - 15 - ~8436=4, ~7456=3...(5) HA THR 95 + HA VAL 66 OK 12 71 - 16 - 3.2/7173=3, ~7627=3...(8) HB THR 23 - HA VAL 66 lone 10 98 - 10 - 4.0/73=3, 4.4/1572=2, 3.0/7175=2 HA PRO 30 - HA VAL 66 lone 5 78 - 6 - Peak 7177 from cnoeabs.peaks (0.92, 1.75, 35.64 ppm; 4.85 A): 4 out of 11 assignments used, quality = 0.97: QG2 VAL 49 + HB VAL 66 OK 83 100 - 83 - ~7185=24, ~8494=21...(17) QG2 ILE 22 + HB VAL 66 OK 46 100 - 46 - 2155/3.0=5, 7192/2.1=5...(19) QD1 ILE 63 + HB VAL 66 OK 43 85 - 51 - 3.2/7138=10, 7146/3.0=7...(13) QD1 LEU 117 + HB VAL 66 OK 43 95 - 46 - ~8012=7, 7192/2.1=6...(17) QD1 LEU 55 - HB VAL 66 OK 23 95 - 25 - ~7233=4, ~7179=4...(10) HB2 GLN 42 - HB VAL 66 OK 15 100 - 15 - 7208/4.5=2, 7192/2.1=2...(4) QD1 LEU 41 - HB VAL 66 OK 14 97 - 14 - ~7180=1, 8412/4.0=1...(8) QD1 LEU 27 - HB VAL 66 OK 14 100 - 14 - ~7192=2, 7192/2.1=1...(8) QD2 LEU 27 - HB VAL 66 OK 14 100 - 14 - 7192/2.1=2, 7178/2.1=1...(7) QD1 LEU 126 - HB VAL 66 OK 10 93 - 11 - 5411/3.0=2, 7178/2.1=1...(4) QG2 VAL 115 - HB VAL 66 lone 9 100 - 9 - 7975/3.0=2, 7208/4.5=1...(4) Peak 7178 from cnoeabs.peaks (0.91, 0.70, 19.30 ppm; 3.34 A): 5 out of 14 assignments used, quality = 0.90: QG2 VAL 49 + QG1 VAL 66 OK 58 93 - 62 - 3.2/7185=19, 2.1/8494=18...(14) QG1 VAL 49 + QG1 VAL 66 OK 45 73 - 62 - 3.2/7185=19, 8494=16...(14) QD1 LEU 117 + QG1 VAL 66 OK 33 100 - 33 - 2.1/8012=6, 7192/2.1=5...(11) QG2 ILE 22 + QG1 VAL 66 OK 25 87 - 29 - 7192/2.1=4, 3.2/7179=3...(11) QD1 LEU 55 + QG1 VAL 66 OK 12 60 - 21 - 4.6/7200=3, 2.1/7179=3...(7) QD2 LEU 27 - QG1 VAL 66 lone 9 89 - 10 - 7192/2.1=1 HB2 GLN 42 - QG1 VAL 66 lone 9 97 - 9 - 7192/2.1=1 QD2 LEU 41 - QG1 VAL 66 lone 8 89 - 9 - 4.3/7202=2, 3.1/7180=1 QD1 LEU 126 - QG1 VAL 66 lone 8 100 - 8 - 7192/2.1=1 QD1 LEU 41 - QG1 VAL 66 poor 8 68 - 11 - 4.3/7202=2, 3.1/7180=1 QD1 LEU 27 - QG1 VAL 66 lone 7 83 - 9 - 7192/2.1=1 QG2 VAL 115 - QG1 VAL 66 lone 7 87 - 8 - QD1 ILE 124 - QG1 VAL 66 lone 3 85 - 3 - QD2 LEU 59 - QG1 VAL 66 lone 1 73 - 2 - Peak 7179 from cnoeabs.peaks (1.86, 0.70, 19.30 ppm; 3.92 A): 4 out of 15 assignments used, quality = 0.85: HG3 PRO 68 + QG1 VAL 66 OK 69 99 - 70 - 7233=15, 2.3/7227=12...(18) HG12 ILE 22 + QG1 VAL 66 OK 29 95 - 31 - 3.2/7178=3, 2162/3.2=3...(16) HG LEU 55 + QG1 VAL 66 OK 21 78 - 27 - 7233=5, 4.7/7200=5...(8) HB2 ARG 92 + QG1 VAL 66 OK 14 93 - 15 - 3.6/3670=4, 4422/4.0=2...(4) HB3 GLU 28 - QG1 VAL 66 lone 7 99 - 8 - 3.0/7181=1 HG LEU 41 - QG1 VAL 66 poor 7 63 - 11 - 5.2/7202=2, 3.0/7180=1...(4) HB2 GLU 69 - QG1 VAL 66 poor 7 65 - 11 - 3.6/7201=8, ~7195=1 HB3 LYS 109 - QG1 VAL 66 lone 5 100 - 5 - HG3 GLU 73 - QG1 VAL 66 lone 5 81 - 6 - 4.9/7297=2 HG2 GLU 73 - QG1 VAL 66 lone 5 78 - 6 - 4.9/7297=2 HB3 LYS 31 - QG1 VAL 66 lone 4 76 - 5 - 4.7/7203=1 HB2 LEU 58 - QG1 VAL 66 lone 4 97 - 4 - 3.1/7064=1 HG LEU 84 - QG1 VAL 66 lone 4 68 - 5 - HB VAL 50 - QG1 VAL 66 lone 2 76 - 3 - HB2 LYS 119 - QG1 VAL 66 lone 2 76 - 3 - Peak 7180 from cnoeabs.peaks (1.99, 0.70, 19.30 ppm; 4.11 A): 3 out of 13 assignments used, quality = 0.95: HB3 PRO 68 + QG1 VAL 66 OK 76 98 - 77 - 2.3/7223=17, 1.8/7227=15...(22) HG2 PRO 68 + QG1 VAL 66 OK 71 96 - 74 - 1.8/7179=15, 2.3/7227=13...(20) HB2 LEU 55 + QG1 VAL 66 OK 27 98 - 28 - 4.0/7200=6, 3.0/7233=4...(9) HG LEU 114 - QG1 VAL 66 OK 24 96 - 26 - 4.3/7193=6, 5.2/3670=4...(9) HB2 LEU 41 - QG1 VAL 66 OK 14 98 - 15 - 4.1/7202=3, 3.1/7178=1...(5) HB2 GLU 94 - QG1 VAL 66 OK 13 99 - 13 - 4.0/7202=3, 2.9/7193=2...(4) HB2 LYS 46 - QG1 VAL 66 lone 10 99 - 10 - 1.8/3672=1 HB2 ARG 71 - QG1 VAL 66 lone 7 87 - 8 - 4.3/7285=2, 3.0/3672=1 HG2 PRO 60 - QG1 VAL 66 lone 6 100 - 6 - HB2 MET 11 - QG1 VAL 66 lone 5 99 - 5 - HB ILE 124 - QG1 VAL 66 lone 5 98 - 5 - HB3 GLN 103 - QG1 VAL 66 lone 5 98 - 5 - 3.0/7193=1 HG LEU 45 - QG1 VAL 66 lone 4 83 - 5 - Peak 7181 from cnoeabs.peaks (2.22, 0.70, 19.30 ppm; 4.21 A): 5 out of 14 assignments used, quality = 0.90: HB2 PRO 68 + QG1 VAL 66 OK 75 95 - 80 - 7227=18, 2.3/7223=17...(22) HB3 LEU 117 + QG1 VAL 66 OK 40 96 - 42 - 3.1/8012=7, 3.1/7178=5...(15) HB2 PRO 70 + QG1 VAL 66 OK 11 76 - 15 - 7254/8494=2, 8509/2.1=2...(4) HG2 GLU 38 + QG1 VAL 66 OK 11 85 - 13 - 4.9/7200=3, 6713/2.1=2...(5) HG3 GLU 38 + QG1 VAL 66 OK 11 83 - 13 - 4.9/7200=3, 6713/2.1=2...(5) HG2 GLU 94 - QG1 VAL 66 poor 9 87 - 10 - 4.9/7202=2, 4.2/7193=2...(4) HG2 GLU 56 - QG1 VAL 66 poor 9 71 - 13 - ~7026=3, ~8436=3, 7025/2.1=2 HB VAL 26 - QG1 VAL 66 poor 9 68 - 13 - 3.0/3671=2, 3033/7185=1, ~8219=1 HG2 GLU 28 - QG1 VAL 66 lone 8 98 - 8 - 3.0/7179=1 HG3 GLU 28 - QG1 VAL 66 lone 8 97 - 8 - 3.0/7179=1 HB3 PRO 37 - QG1 VAL 66 lone 7 99 - 7 - 3.9/7202=2 HG3 GLU 64 - QG1 VAL 66 lone 7 90 - 7 - 8509/2.1=1, 3.9/7193=1 HG2 PRO 37 - QG1 VAL 66 lone 4 85 - 5 - HG3 GLU 15 - QG1 VAL 66 lone 1 57 - 3 - Peak 7182 from cnoeabs.peaks (2.46, 0.70, 19.30 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.88: HB2 CYS 52 + QG1 VAL 66 OK 85 97 - 87 - 7191/2.1=29, 1.8/6953=26...(17) HB3 CYS 87 + QG1 VAL 66 OK 17 99 - 17 - 8654/2.1=5, 7191/2.1=4...(6) HG3 MET 11 - QG1 VAL 66 lone 4 60 - 6 - 7191/2.1=1, 8654/2.1=1 Peak 7183 from cnoeabs.peaks (2.85, 0.70, 19.30 ppm; 4.22 A): 4 out of 9 assignments used, quality = 0.99: HG CYS 52 + QG1 VAL 66 OK 73 100 - 73 - 3.4/7182=21, 3.4/6953=18...(15) HB3 TYR 67 + QG1 VAL 66 OK 69 97 - 71 - 3.8/5685=30, 2.6/4691=13...(15) HB2 TYR 67 + QG1 VAL 66 OK 69 97 - 71 - 3.8/5685=30, 2.6/4691=13...(15) HB2 ASN 79 + QG1 VAL 66 OK 60 99 - 61 - 3.5/7200=11, 3.5/7203=10...(16) HB3 PHE 107 - QG1 VAL 66 OK 44 100 - 44 - 1.8/7184=8, 2.4/7204=8...(13) HB2 ASN 99 - QG1 VAL 66 OK 15 99 - 15 - 3.5/7683=3, 3.5/7681=3 HE3 LYS 119 - QG1 VAL 66 lone 4 95 - 4 - HE2 LYS 119 - QG1 VAL 66 lone 4 93 - 4 - HB2 ASP 36 - QG1 VAL 66 lone 3 99 - 3 - Peak 7184 from cnoeabs.peaks (3.11, 0.70, 19.30 ppm; 4.30 A): 2 out of 8 assignments used, quality = 0.95: HB3 CYS 52 + QG1 VAL 66 OK 91 100 - 91 - 1.8/7182=30, 6953=29...(18) HB2 PHE 107 + QG1 VAL 66 OK 43 100 - 43 - 7189/2.1=8, 2.4/7204=8...(13) HD3 ARG 53 - QG1 VAL 66 OK 28 87 - 33 - 6.3/7202=6, 7189/2.1=5...(12) HD3 ARG 81 - QG1 VAL 66 OK 15 89 - 16 - 7189/2.1=3, 2.9/7204=2...(4) HB3 CYS 76 - QG1 VAL 66 OK 14 100 - 14 - 4.0/361=3, 4.7/1144=3 HD3 ARG 57 - QG1 VAL 66 lone 7 97 - 7 - 7189/2.1=2, 3116/7182=1 HB3 ASP 100 - QG1 VAL 66 lone 4 100 - 4 - HB3 HIS 10 - QG1 VAL 66 lone 1 63 - 2 - Peak 7185 from cnoeabs.peaks (3.27, 0.70, 19.30 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.81: HA VAL 49 + QG1 VAL 66 OK 81 100 - 81 - 6901=33, 7188/2.1=22...(18) Peak 7186 from cnoeabs.peaks (3.91, 0.70, 19.30 ppm; 3.73 A): 3 out of 15 assignments used, quality = 0.96: HD2 PRO 68 + QG1 VAL 66 OK 74 99 - 75 - 4.8/5685=17, 2.3/7179=11...(25) HD3 PRO 68 + QG1 VAL 66 OK 74 98 - 75 - 4.8/5685=17, 2.3/7179=11...(25) HB3 ASN 79 + QG1 VAL 66 OK 35 78 - 45 - 3.5/7200=9, 3.5/7203=7...(12) HA ARG 53 - QG1 VAL 66 OK 28 87 - 32 - 3.0/7202=9, 3.6/1023=4...(11) HB THR 95 - QG1 VAL 66 OK 11 90 - 12 - ~7627=3, 7187/2.1=2...(5) HA ALA 43 - QG1 VAL 66 lone 9 92 - 10 - 3.6/3670=3, 5572/4.0=1 HB THR 62 - QG1 VAL 66 lone 4 98 - 4 - HB2 SER 112 - QG1 VAL 66 lone 4 95 - 4 - 4.5/361=1 HB3 SER 112 - QG1 VAL 66 lone 4 92 - 4 - 4.5/361=1 HA ILE 34 - QG1 VAL 66 lone 4 100 - 4 - HA THR 23 - QG1 VAL 66 lone 4 60 - 6 - HA ARG 85 - QG1 VAL 66 lone 3 68 - 5 - 3.6/7202=1 HA2 GLY 2 - QG1 VAL 66 lone 2 100 - 2 - HA3 GLY 2 - QG1 VAL 66 lone 2 100 - 2 - HA2 GLY 25 - QG1 VAL 66 lone 1 60 - 2 - Peak 7187 from cnoeabs.peaks (3.90, 0.77, 21.33 ppm; 4.25 A): 3 out of 13 assignments used, quality = 0.98: HD2 PRO 68 + QG2 VAL 66 OK 79 95 - 83 - 4.8/5686=23, 7186/2.1=12...(27) HD3 PRO 68 + QG2 VAL 66 OK 76 92 - 83 - 4.8/5686=23, 7186/2.1=12...(27) HB3 ASN 79 + QG2 VAL 66 OK 53 90 - 59 - 3.5/7196=12, 3.5/7198=10...(14) HA ARG 53 - QG2 VAL 66 OK 33 96 - 35 - ~7202=8, 7186/2.1=4...(11) HB THR 95 - QG2 VAL 66 OK 22 97 - 22 - 2.1/7627=5, 3.0/7195=4...(9) HA ALA 43 - QG2 VAL 66 poor 8 81 - 10 - 3.6/3675=3, 7186/2.1=1...(4) HB2 SER 112 - QG2 VAL 66 lone 8 99 - 8 - 4.5/7197=3 HB3 SER 112 - QG2 VAL 66 lone 8 98 - 8 - 4.5/7197=3 HB THR 62 - QG2 VAL 66 lone 7 92 - 8 - 4.4/1069=2 HB2 SER 13 - QG2 VAL 66 lone 5 60 - 9 - 1.8/6290=3, 3.0/3676=1 HA ILE 34 - QG2 VAL 66 lone 4 100 - 4 - 4.1/6652=1 HA2 GLY 2 - QG2 VAL 66 lone 2 100 - 2 - HA3 GLY 2 - QG2 VAL 66 lone 2 100 - 2 - Peak 7188 from cnoeabs.peaks (3.25, 0.77, 21.33 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.75: HA VAL 49 + QG2 VAL 66 OK 75 92 - 82 - 7185/2.1=31, 6900=27...(20) HD2 ARG 71 - QG2 VAL 66 lone 4 65 - 6 - 3.0/3677=1, 3.0/3677=1 HB3 TRP 20 - QG2 VAL 66 lone 4 73 - 5 - 4.2/7197=2 Peak 7189 from cnoeabs.peaks (3.11, 0.77, 21.33 ppm; 3.82 A): 5 out of 8 assignments used, quality = 0.92: HB3 CYS 52 + QG2 VAL 66 OK 81 100 - 82 - 1.8/7191=33, 6953/2.1=19...(15) HB2 PHE 107 + QG2 VAL 66 OK 34 100 - 34 - 2.4/4809=9, 7184/2.1=6...(10) HD3 ARG 53 + QG2 VAL 66 OK 18 85 - 22 - 7184/2.1=4, 3171/2.1=2...(9) HD3 ARG 81 + QG2 VAL 66 OK 13 90 - 14 - 7184/2.1=2, 2.9/7199=2, ~7204=1 HB3 CYS 76 + QG2 VAL 66 OK 10 100 - 10 - 4.0/7197=3, 7184/2.1=2 HD3 ARG 57 - QG2 VAL 66 lone 7 97 - 7 - 3116/7191=1 HB3 ASP 100 - QG2 VAL 66 lone 3 100 - 3 - HB3 HIS 10 - QG2 VAL 66 lone 1 60 - 1 - Peak 7190 from cnoeabs.peaks (2.84, 0.77, 21.33 ppm; 3.96 A): 4 out of 10 assignments used, quality = 0.98: HG CYS 52 + QG2 VAL 66 OK 68 99 - 69 - 3.4/7191=24, 3.4/7189=14...(14) HB3 TYR 67 + QG2 VAL 66 OK 64 100 - 64 - 3.8/5686=26, 2.6/7199=9...(13) HB2 TYR 67 + QG2 VAL 66 OK 64 100 - 64 - 3.8/5686=26, 2.6/7199=9...(13) HB2 ASN 79 + QG2 VAL 66 OK 56 100 - 56 - 3.5/7196=10, 3.5/7198=9...(15) HB3 PHE 107 - QG2 VAL 66 OK 39 100 - 39 - 2.4/4809=9, 1.8/7189=8...(10) HB2 ASN 99 - QG2 VAL 66 OK 12 100 - 12 - ~7683=2, ~7681=2...(4) HB2 CYS 76 - QG2 VAL 66 poor 8 71 - 12 - 4.0/7197=3, 1.8/7189=2, ~7184=2 HE3 LYS 119 - QG2 VAL 66 lone 4 87 - 4 - HE2 LYS 119 - QG2 VAL 66 lone 4 85 - 4 - HB2 ASP 36 - QG2 VAL 66 lone 3 100 - 2 - Peak 7191 from cnoeabs.peaks (2.44, 0.77, 21.33 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.78: HB2 CYS 52 + QG2 VAL 66 OK 75 99 - 76 - 1.8/7189=17, 7182/2.1=16...(16) HB3 CYS 87 + QG2 VAL 66 OK 11 76 - 15 - 7182/2.1=3, 8654/2.1=3...(4) HG3 MET 11 - QG2 VAL 66 lone 3 96 - 3 - Peak 7192 from cnoeabs.peaks (0.91, 0.77, 21.33 ppm; 3.09 A): 4 out of 14 assignments used, quality = 0.78: QG2 VAL 49 + QG2 VAL 66 OK 44 93 - 47 - 3.2/7188=12, ~8494=9...(13) QG1 VAL 49 + QG2 VAL 66 OK 33 73 - 45 - 3.2/7188=12, 8494/2.1=11...(10) QD1 LEU 117 + QG2 VAL 66 OK 25 100 - 25 - 7178/2.1=4, 2.1/3677=3...(10) QG2 ILE 22 + QG2 VAL 66 OK 21 87 - 24 - 7178/2.1=3, 2160=2...(10) QD1 LEU 55 - QG2 VAL 66 poor 9 60 - 14 - 4.6/7196=2, ~7233=2...(4) QD2 LEU 27 - QG2 VAL 66 lone 7 89 - 8 - 7178/2.1=1 HB2 GLN 42 - QG2 VAL 66 lone 7 97 - 7 - 7178/2.1=1 QD1 LEU 27 - QG2 VAL 66 lone 6 83 - 8 - QD1 LEU 126 - QG2 VAL 66 lone 5 100 - 5 - QD2 LEU 41 - QG2 VAL 66 lone 5 89 - 5 - 7178/2.1=1 QG2 VAL 115 - QG2 VAL 66 lone 5 87 - 5 - QD1 LEU 41 - QG2 VAL 66 lone 5 68 - 7 - QD1 ILE 124 - QG2 VAL 66 lone 2 85 - 2 - QD2 LEU 59 - QG2 VAL 66 lone 1 73 - 1 - Peak 7193 from cnoeabs.peaks (4.28, 0.70, 19.30 ppm; 4.14 A): 5 out of 8 assignments used, quality = 0.83: HA LYS 65 + QG1 VAL 66 OK 55 99 - 56 - 306/4.0=20, 7167=14...(10) HA LEU 114 + QG1 VAL 66 OK 42 96 - 44 - 7194/2.1=9, 3.0/3670=7...(13) HB3 SER 113 + QG1 VAL 66 OK 16 90 - 17 - 4.7/3670=5, 7194/2.1=4...(4) HA GLU 94 + QG1 VAL 66 OK 12 96 - 13 - 3.0/7202=3, 7194/2.1=2...(5) HB2 SER 78 + QG1 VAL 66 OK 12 89 - 13 - 3.9/372=3, 7194/2.1=2...(5) HA GLU 64 - QG1 VAL 66 poor 9 73 - 12 - 3.6/7204=5, ~295=2 HA GLN 103 - QG1 VAL 66 lone 5 99 - 5 - HA ALA 122 - QG1 VAL 66 lone 2 96 - 2 - Peak 7194 from cnoeabs.peaks (4.29, 0.77, 21.33 ppm; 4.18 A): 3 out of 7 assignments used, quality = 0.79: HA LYS 65 + QG2 VAL 66 OK 57 100 - 57 - 306/4.0=21, 7166=16...(9) HA LEU 114 + QG2 VAL 66 OK 40 100 - 40 - 7193/2.1=9, 3.0/3675=7...(12) HB3 SER 113 + QG2 VAL 66 OK 18 100 - 18 - 4.7/3675=4, 5891/4.0=4...(4) HB2 SER 78 - QG2 VAL 66 lone 9 99 - 9 - 7193/2.1=3, 7363/7199=2 HA GLU 94 - QG2 VAL 66 poor 9 76 - 11 - 7193/2.1=3, ~7202=2, 3.0/463=2 HA GLN 103 - QG2 VAL 66 lone 4 85 - 5 - 7193/2.1=1 HA ALA 122 - QG2 VAL 66 lone 1 76 - 2 - Peak 7195 from cnoeabs.peaks (4.55, 0.77, 21.33 ppm; 4.74 A): 5 out of 8 assignments used, quality = 0.78: HA ASN 79 + QG2 VAL 66 OK 47 100 - 48 - 4.4/7196=12, 4.4/7198=11...(10) HA GLU 82 + QG2 VAL 66 OK 32 99 - 32 - 3.0/8436=6, 3.0/8436=6...(7) HA THR 95 + QG2 VAL 66 OK 21 100 - 21 - 3.6/7198=5, 3.2/7627=5...(8) HA GLU 69 + QG2 VAL 66 OK 13 65 - 20 - ~7201=9, ~7241=9, ~320=1 HA LEU 27 + QG2 VAL 66 OK 11 90 - 12 - 6523/3.2=2, 4.0/7192=2...(5) HA ASN 99 - QG2 VAL 66 lone 8 100 - 8 - 3.0/7190=1, ~7183=1 HB THR 121 - QG2 VAL 66 lone 3 98 - 3 - HA ASP 47 - QG2 VAL 66 lone 1 63 - 1 - Peak 7196 from cnoeabs.peaks (8.11, 0.77, 21.33 ppm; 4.67 A): 4 out of 6 assignments used, quality = 0.89: HD22 ASN 79 + QG2 VAL 66 OK 74 100 - 74 - 8142/4.3=21, 7200/2.1=17...(16) H LEU 55 + QG2 VAL 66 OK 36 96 - 38 - 7200/2.1=11, 7207/4.3=5...(9) H GLY 39 + QG2 VAL 66 OK 22 95 - 24 - 7200/2.1=6, 8142/4.3=4...(7) H THR 33 + QG2 VAL 66 OK 12 99 - 12 - 7200/2.1=3, 7207/4.3=2...(4) H LEU 24 - QG2 VAL 66 poor 9 81 - 11 - 1572/3.2=2, 7200/2.1=2...(4) H GLN 105 - QG2 VAL 66 lone 4 81 - 5 - 7200/2.1=1 Peak 7197 from cnoeabs.peaks (7.57, 0.77, 21.33 ppm; 4.76 A): 5 out of 6 assignments used, quality = 0.89: H CYS 52 + QG2 VAL 66 OK 73 100 - 74 - 4.0/7191=29, 6944=17...(9) H CYS 76 + QG2 VAL 66 OK 27 100 - 27 - 361/2.1=5, 4.6/7198=5...(10) H SER 113 + QG2 VAL 66 OK 25 97 - 25 - 4.6/3675=6, 4.0/7194=4...(5) HE3 TRP 20 + QG2 VAL 66 OK 12 85 - 14 - 4641/2.1=3, ~4646=3...(5) H ARG 57 + QG2 VAL 66 OK 10 71 - 14 - 4.6/7030=2, 3113/7191=1 H LYS 119 - QG2 VAL 66 lone 4 63 - 6 - Peak 7198 from cnoeabs.peaks (7.39, 0.77, 21.33 ppm; 5.01 A): 4 out of 6 assignments used, quality = 0.91: HD21 ASN 79 + QG2 VAL 66 OK 76 96 - 80 - 8141/4.3=28, 1.7/7196=21...(15) H GLU 75 + QG2 VAL 66 OK 37 100 - 37 - 7203/2.1=10, 7206/4.3=5...(8) H PHE 96 + QG2 VAL 66 OK 32 100 - 32 - 7630=7, 3.6/7195=5...(7) H LYS 32 + QG2 VAL 66 OK 11 87 - 13 - 7203/2.1=3, 4.6/7196=2...(4) H SER 72 - QG2 VAL 66 poor 8 71 - 11 - 7285/2.1=4, 7206/4.3=2 HE21 GLN 16 - QG2 VAL 66 lone 3 78 - 4 - Peak 7199 from cnoeabs.peaks (7.20, 0.77, 21.33 ppm; 4.41 A): 3 out of 6 assignments used, quality = 0.95: QD TYR 67 + QG2 VAL 66 OK 75 100 - 75 - 4829/4.3=30, 4691/2.1=15...(18) H LYS 65 + QG2 VAL 66 OK 61 95 - 65 - 3.0/7194=14, 1472/4.0=14...(15) QD PHE 107 + QG2 VAL 66 OK 50 95 - 53 - 4809=12, 7204/2.1=8...(11) QD TYR 102 - QG2 VAL 66 OK 17 78 - 21 - 4747/2.1=3, 305/4.0=3...(6) HE ARG 81 - QG2 VAL 66 OK 15 85 - 17 - 2.9/7189=3, 7204/2.1=3...(4) QE PHE 40 - QG2 VAL 66 lone 7 85 - 9 - 4830=2, 305/4.0=1, 7205/3.2=1 Peak 7200 from cnoeabs.peaks (8.11, 0.70, 19.30 ppm; 4.44 A): 4 out of 6 assignments used, quality = 0.91: HD22 ASN 79 + QG1 VAL 66 OK 73 100 - 73 - 8142/4.3=19, 7196/2.1=16...(17) H LEU 55 + QG1 VAL 66 OK 48 95 - 51 - 249=10, 7196/2.1=8...(17) H GLY 39 + QG1 VAL 66 OK 24 96 - 26 - 7196/2.1=5, 8142/4.3=4...(9) H THR 33 + QG1 VAL 66 OK 13 99 - 13 - 7196/2.1=3, 7207/4.3=2...(4) H LEU 24 - QG1 VAL 66 lone 8 83 - 10 - 7196/2.1=2, 1572/3.2=2 H GLN 105 - QG1 VAL 66 lone 5 83 - 6 - Peak 7201 from cnoeabs.peaks (8.25, 0.70, 19.30 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.91: H VAL 49 + QG1 VAL 66 OK 78 100 - 78 - 3.0/7185=39, 4.0/8494=22...(12) H GLU 69 + QG1 VAL 66 OK 62 98 - 63 - 7241=18, 3.6/7223=17...(14) H TRP 20 - QG1 VAL 66 poor 9 73 - 11 - 6.0/4641=2 H ASP 100 - QG1 VAL 66 lone 3 57 - 5 - 4.6/7183=1 Peak 7202 from cnoeabs.peaks (8.55, 0.70, 19.30 ppm; 5.19 A): 5 out of 5 assignments used, quality = 0.88: H ARG 53 + QG1 VAL 66 OK 74 100 - 74 - 4.4/7182=26, 4.4/6953=22...(15) H LEU 41 + QG1 VAL 66 OK 22 99 - 22 - 8407/8494=3, 6042/7185=3...(8) H GLU 94 + QG1 VAL 66 OK 22 99 - 22 - 3.0/7193=4, 463/2.1=3...(8) H GLU 38 + QG1 VAL 66 OK 12 65 - 18 - 4.6/7200=4, ~6709=2...(7) H GLY 86 + QG1 VAL 66 OK 12 96 - 12 - 6042/7185=1, 7516/4.0=1...(4) Peak 7203 from cnoeabs.peaks (7.41, 0.70, 19.30 ppm; 4.87 A): 5 out of 6 assignments used, quality = 0.92: HD21 ASN 79 + QG1 VAL 66 OK 75 100 - 75 - 8141/4.3=28, 1.7/7200=19...(13) H GLU 75 + QG1 VAL 66 OK 49 98 - 49 - 1133=10, 7198/2.1=7...(14) H PHE 96 + QG1 VAL 66 OK 19 96 - 19 - 7630/2.1=6, 7206/4.3=5 H SER 72 + QG1 VAL 66 OK 16 93 - 17 - 7285=6, 7206/4.3=2, 7198/2.1=2 H LYS 32 + QG1 VAL 66 OK 15 99 - 15 - 7198/2.1=2, 4.6/7200=2...(4) HE21 GLN 105 - QG1 VAL 66 lone 4 78 - 6 - 7285=2 Peak 7204 from cnoeabs.peaks (7.19, 0.70, 19.30 ppm; 4.76 A): 3 out of 4 assignments used, quality = 0.94: QD TYR 67 + QG1 VAL 66 OK 78 97 - 81 - 4829/4.3=33, 4691=18...(18) QD PHE 107 + QG1 VAL 66 OK 53 100 - 53 - 4809/2.1=12, 2.4/7184=9...(12) H LYS 65 + QG1 VAL 66 OK 44 73 - 60 - 4.6/1092=19, 3.0/7167=14...(8) HE ARG 81 - QG1 VAL 66 OK 17 99 - 17 - 2.9/7184=3, 7199/2.1=3...(5) Peak 7205 from cnoeabs.peaks (7.20, 4.21, 59.63 ppm; 4.68 A): 3 out of 6 assignments used, quality = 0.96: QD TYR 67 + HA VAL 66 OK 79 100 - 79 - 4829/3.6=38, 4691/3.2=13...(16) H LYS 65 + HA VAL 66 OK 67 96 - 70 - 1472/3.0=19, ~306=14...(13) QD PHE 107 + HA VAL 66 OK 44 93 - 47 - 4809/3.2=10, 7204/3.2=8...(11) QD TYR 102 - HA VAL 66 OK 19 81 - 23 - 3570/4.7=4, 305/3.0=4...(7) HE ARG 81 - HA VAL 66 OK 11 83 - 13 - 7204/3.2=2, 7199/3.2=2...(6) QE PHE 40 - HA VAL 66 lone 8 87 - 9 - 305/3.0=2, 4830/3.2=2...(4) Peak 7211 from cnoeabs.peaks (1.43, 2.84, 37.85 ppm; 4.94 A): 6 out of 36 assignments used, quality = 0.99: HB3 GLU 75 + HB2 TYR 67 OK 61 76 - 81 - ~8329=12, ~4686=12...(21) HB3 GLU 75 + HB3 TYR 67 OK 61 76 - 81 - ~8329=12, ~4686=12...(21) HD2 LYS 65 + HB3 TYR 67 OK 46 90 - 51 - 4689/2.6=10, ~8721=9...(12) HD2 LYS 65 + HB2 TYR 67 OK 46 90 - 51 - 4689/2.6=10, ~8721=9...(12) HD3 LYS 65 + HB3 TYR 67 OK 46 90 - 51 - 4689/2.6=10, ~8721=9...(12) HD3 LYS 65 + HB2 TYR 67 OK 46 90 - 51 - 4689/2.6=10, ~8721=9...(12) HB3 GLU 75 - HB2 ASN 79 OK 39 75 - 52 - 4.0/7306=6, 7317=6...(19) QB ALA 98 - HB3 TYR 67 OK 28 100 - 28 - 7663/3.0=4, 3.5/1263=4...(10) QB ALA 98 - HB2 TYR 67 OK 28 100 - 28 - 7663/3.0=4, 3.5/1263=4...(10) QB ALA 98 - HB2 ASN 79 OK 26 99 - 27 - 7406/4.5=6, 3.5/1263=5...(6) HB3 LEU 101 - HB3 TYR 67 OK 24 96 - 25 - ~8152=4, 4689/2.6=3...(10) HB3 LEU 101 - HB2 TYR 67 OK 24 96 - 25 - ~8152=4, 4689/2.6=3...(10) HB2 LEU 51 - HB2 ASN 79 OK 13 98 - 14 - 7406/4.5=4, ~6056=2...(4) HB2 LEU 51 - HB2 TYR 67 OK 13 99 - 13 - ~6939=2, ~4686=2...(6) HB2 LEU 51 - HB3 TYR 67 OK 13 99 - 13 - ~6939=2, ~4686=2...(6) HB3 LEU 101 - HB2 ASN 79 OK 12 95 - 13 - 7406/4.5=5, 7257/7255=1 QB ALA 89 - HB2 ASN 79 poor 10 93 - 10 - 7406/4.5=3, ~7374=1, 8662/3.9=1 HG LEU 24 - HB2 ASN 79 lone 7 75 - 10 - 2215/3.5=1, ~2229=1...(4) HB3 LEU 91 - HB3 TYR 67 lone 7 100 - 7 - ~7484=2 HB3 LEU 91 - HB2 TYR 67 lone 7 100 - 7 - ~7484=2 HB3 LEU 45 - HB2 TYR 67 lone 5 76 - 7 - 4.0/8341=1 HB3 LEU 45 - HB3 TYR 67 lone 5 76 - 7 - 4.0/8341=1 HB3 LEU 91 - HB2 ASN 79 lone 5 100 - 5 - 7406/4.5=2 QB ALA 89 - HB2 TYR 67 lone 5 95 - 5 - QB ALA 89 - HB3 TYR 67 lone 5 95 - 5 - QB ALA 122 - HB2 ASN 79 lone 5 92 - 5 - 7406/4.5=1 HB3 LEU 45 - HB2 ASN 79 lone 4 75 - 5 - HD2 LYS 65 - HB2 ASN 79 lone 4 89 - 4 - HD3 LYS 65 - HB2 ASN 79 lone 4 89 - 4 - HG LEU 24 - HB3 TYR 67 lone 3 76 - 4 - HG LEU 24 - HB2 TYR 67 lone 3 76 - 4 - QB ALA 122 - HB2 TYR 67 lone 3 93 - 3 - QB ALA 122 - HB3 TYR 67 lone 3 93 - 3 - HG LEU 59 - HB2 ASN 79 lone 3 70 - 4 - 7406/4.5=1 HG LEU 59 - HB3 TYR 67 lone 1 71 - 2 - HG LEU 59 - HB2 TYR 67 lone 1 71 - 2 - Peak 7212 from cnoeabs.peaks (0.91, 2.84, 37.85 ppm; 4.98 A): 6 out of 39 assignments used, quality = 0.92: QG2 VAL 49 + HB2 ASN 79 OK 44 91 - 49 - 6912/3.5=12, 3.2/6897=9...(8) QG1 VAL 49 + HB2 ASN 79 OK 41 75 - 55 - 3.2/6897=9, 8406/3.5=9...(14) QG2 VAL 115 + HB2 ASN 79 OK 32 84 - 38 - 5113/4.5=10, 2.1/7968=6...(11) HB2 GLN 42 + HB3 TYR 67 OK 31 96 - 33 - 6774/2.6=8, ~6780=5...(11) HB2 GLN 42 + HB2 TYR 67 OK 31 96 - 33 - 6774/2.6=8, ~6780=5...(11) QD2 LEU 27 + HB2 ASN 79 OK 20 86 - 24 - 7372/3.9=4, 2298/3.0=3...(10) QD1 LEU 27 - HB2 ASN 79 OK 18 79 - 23 - 7372/3.9=3, ~2298=3...(10) QG2 ILE 22 - HB2 ASN 79 OK 16 84 - 19 - 6428/3.5=4, 6427/3.9=3...(6) QG1 VAL 49 - HB3 TYR 67 OK 15 76 - 20 - 8496/4.8=4, 8496/4.8=4...(5) QG1 VAL 49 - HB2 TYR 67 OK 15 76 - 20 - 8496/4.8=4, 8496/4.8=4...(5) QG2 VAL 49 - HB2 TYR 67 OK 15 92 - 16 - 7208/3.8=4, 3.2/6897=2...(5) QG2 VAL 49 - HB3 TYR 67 OK 15 92 - 16 - 7208/3.8=4, 3.2/6897=2...(5) QD1 LEU 117 - HB3 TYR 67 OK 12 100 - 12 - 7208/3.8=2, ~4687=2...(4) QD1 LEU 117 - HB2 TYR 67 OK 12 100 - 12 - 7208/3.8=2, ~4687=2...(4) QD1 LEU 117 - HB2 ASN 79 OK 12 99 - 12 - 7381/3.5=3, 7372/3.9=1 QD2 LEU 41 - HB2 ASN 79 OK 12 89 - 13 - 7372/3.9=3, 1160/4.5=1 HB2 GLN 42 - HB2 ASN 79 poor 10 95 - 10 - 7372/3.9=2, 7381/3.5=1 QD2 LEU 41 - HB3 TYR 67 poor 9 90 - 10 - ~8294=2, 6767/4786=2, ~4690=1 QD2 LEU 41 - HB2 TYR 67 poor 9 90 - 10 - ~8294=2, 6767/4786=2, ~4690=1 QG2 VAL 115 - HB2 TYR 67 poor 9 85 - 11 - 7208/3.8=1 QG2 VAL 115 - HB3 TYR 67 poor 9 85 - 11 - 7208/3.8=1 QD1 ILE 124 - HB2 ASN 79 poor 9 86 - 10 - 8119/3.0=2, 7372/3.9=2 QG2 ILE 22 - HB2 TYR 67 poor 9 85 - 10 - 7208/3.8=3, 6434/4.8=1 QG2 ILE 22 - HB3 TYR 67 poor 9 85 - 10 - 7208/3.8=3, 6434/4.8=1 QD2 LEU 27 - HB2 TYR 67 lone 7 87 - 8 - 6534/2.6=1, 7208/3.8=1 QD2 LEU 27 - HB3 TYR 67 lone 7 87 - 8 - 6534/2.6=1, 7208/3.8=1 QD1 LEU 41 - HB2 ASN 79 poor 7 64 - 10 - 7381/3.5=1, 7383/3.5=1 QD1 LEU 27 - HB3 TYR 67 lone 6 81 - 7 - 7208/3.8=1, ~6534=1 QD1 LEU 27 - HB2 TYR 67 lone 6 81 - 7 - 7208/3.8=1, ~6534=1 QD1 LEU 41 - HB2 TYR 67 lone 6 65 - 8 - ~8294=2, 7208/3.8=1 QD1 LEU 41 - HB3 TYR 67 lone 6 65 - 8 - ~8294=2, 7208/3.8=1 QD1 ILE 124 - HB2 TYR 67 lone 4 87 - 5 - ~4690=1 QD1 ILE 124 - HB3 TYR 67 lone 4 87 - 5 - ~4690=1 QD1 LEU 126 - HB2 ASN 79 lone 4 100 - 4 - QD1 LEU 126 - HB2 TYR 67 lone 3 100 - 3 - QD1 LEU 126 - HB3 TYR 67 lone 3 100 - 3 - QD2 LEU 59 - HB2 ASN 79 lone 3 75 - 4 - QD2 LEU 59 - HB2 TYR 67 lone 2 76 - 2 - QD2 LEU 59 - HB3 TYR 67 lone 2 76 - 2 - Peak 7213 from cnoeabs.peaks (0.69, 2.84, 37.85 ppm; 5.07 A): 5 out of 15 assignments used, quality = 1.00: QG1 VAL 66 + HB2 TYR 67 OK 84 100 - 85 - 5685/3.8=39, 4691/2.6=16...(17) QG1 VAL 66 + HB3 TYR 67 OK 84 100 - 85 - 5685/3.8=39, 4691/2.6=16...(17) QG1 VAL 66 + HB2 ASN 79 OK 74 99 - 75 - 7200/3.5=15, 7203/3.5=14...(18) HG3 GLU 75 + HB2 TYR 67 OK 72 96 - 75 - 8552/2.6=19, 4701/4.5=13...(17) HG3 GLU 75 + HB3 TYR 67 OK 72 96 - 75 - 8552/2.6=19, 4701/4.5=13...(17) HG3 GLU 75 - HB2 ASN 79 OK 40 95 - 42 - 3972/3.5=8, 3.0/7317=6...(10) QD1 LEU 77 - HB2 TYR 67 OK 39 100 - 39 - 4691/2.6=7, ~8295=6...(12) QD1 LEU 77 - HB3 TYR 67 OK 39 100 - 39 - 4691/2.6=7, ~8295=6...(12) QD2 LEU 54 - HB2 ASN 79 OK 25 89 - 28 - 7384/3.5=5, ~5625=5...(6) QD1 LEU 77 - HB2 ASN 79 OK 22 100 - 23 - 2.1/7348=5, ~7352=4...(7) QD2 LEU 54 - HB2 TYR 67 OK 21 90 - 23 - 4691/2.6=5, 4701/4.5=4...(4) QD2 LEU 54 - HB3 TYR 67 OK 21 90 - 23 - 4691/2.6=5, 4701/4.5=4...(4) QD2 LEU 24 - HB2 ASN 79 poor 8 62 - 13 - 5491/3.9=3, ~2229=2...(5) QD2 LEU 24 - HB3 TYR 67 lone 3 63 - 6 - QD2 LEU 24 - HB2 TYR 67 lone 3 63 - 6 - Peak 7214 from cnoeabs.peaks (4.29, 6.79, 117.82 ppm; 4.21 A): 4 out of 7 assignments used, quality = 0.89: HB2 SER 78 + QE TYR 67 OK 65 86 - 76 - 7364=27, 1.8/7362=22...(10) HA LYS 65 + QE TYR 67 OK 49 88 - 56 - 5.9/7217=13, 4682/2.2=11...(12) HA LEU 114 + QE TYR 67 OK 24 88 - 27 - 7954=7, 4682/2.2=4...(7) HB3 SER 113 + QE TYR 67 OK 16 87 - 18 - 4682/2.2=3, 1.8/4692=3...(7) HA GLN 103 - QE TYR 67 lone 6 69 - 9 - 4682/2.2=2, 3.6/7778=1, ~511=1 HA GLU 94 - QE TYR 67 lone 2 61 - 3 - HA ALA 122 - QE TYR 67 lone 1 61 - 2 - Peak 7215 from cnoeabs.peaks (4.13, 6.79, 117.82 ppm; 4.39 A): 6 out of 12 assignments used, quality = 0.88: HB3 SER 78 + QE TYR 67 OK 69 87 - 80 - 7362=27, 1.8/7364=24...(11) HA ASN 108 + QE TYR 67 OK 27 82 - 33 - 3.0/1740=8, 3.6/1512=6...(6) HA ILE 63 + QE TYR 67 OK 23 86 - 27 - 7122/2.2=7, ~7125=4...(7) HA ALA 98 + QE TYR 67 OK 13 87 - 15 - 6197=3, 2.1/7220=2...(5) HB2 SER 113 + QE TYR 67 OK 12 65 - 18 - 1.8/7214=4, ~4682=3...(5) HA PRO 37 + QE TYR 67 OK 10 82 - 12 - 4684/2.2=2, 2.3/4697=2 HA ILE 124 - QE TYR 67 poor 9 84 - 10 - 3.2/4700=1, 4684/2.2=1 HA ARG 57 - QE TYR 67 lone 7 71 - 10 - 3.0/4697=2, ~4688=1 HA PHE 83 - QE TYR 67 lone 5 75 - 7 - 4684/2.2=1 HA3 GLY 25 - QE TYR 67 lone 3 71 - 4 - HB3 SER 72 - QE TYR 67 lone 3 86 - 3 - 6096/4693=1 HA GLU 28 - QE TYR 67 lone 2 54 - 3 - Peak 7216 from cnoeabs.peaks (3.57, 6.79, 117.82 ppm; 4.89 A): 3 out of 5 assignments used, quality = 0.76: HA GLU 75 + QE TYR 67 OK 66 82 - 81 - 8330=27, 4686/2.2=23...(16) HA2 GLY 48 + QE TYR 67 OK 20 85 - 24 - 4686/2.2=9, 6882/4.5=5...(4) HA LEU 51 + QE TYR 67 OK 11 78 - 15 - 4686/2.2=4, 8424/6978=2...(4) HA ASN 118 - QE TYR 67 poor 7 56 - 13 - 3.0/8017=4, 8018=3, 8019/2087=1 HD2 PRO 60 - QE TYR 67 lone 3 58 - 5 - 3.0/4697=1 Peak 7217 from cnoeabs.peaks (2.69, 6.79, 117.82 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.70: HE3 LYS 65 + QE TYR 67 OK 70 83 - 84 - 8652=32, 1.8/4696=31...(14) HB3 ASP 123 - QE TYR 67 lone 1 49 - 2 - Peak 7218 from cnoeabs.peaks (2.55, 6.79, 117.82 ppm; 5.09 A): 2 out of 3 assignments used, quality = 0.75: HE2 LYS 65 + QE TYR 67 OK 69 83 - 83 - 1.8/7217=40, 8653=21...(13) HE3 LYS 46 + QE TYR 67 OK 19 78 - 25 - 8653=4, ~8581=4...(8) HB3 ASP 36 - QE TYR 67 poor 10 87 - 11 - 2648/4.5=2, 2648/4.5=2 Peak 7219 from cnoeabs.peaks (1.78, 6.79, 117.82 ppm; 5.36 A): 5 out of 15 assignments used, quality = 0.95: HB2 GLU 75 + QE TYR 67 OK 78 88 - 88 - 3.0/4693=26, 3.0/8337=18...(15) HB2 LEU 117 + QE TYR 67 OK 38 88 - 43 - 7994=10, 3.1/8000=7...(11) HG LEU 117 + QE TYR 67 OK 31 79 - 39 - 2.1/8000=8, 3.0/7994=8...(9) HB VAL 66 + QE TYR 67 OK 30 49 - 60 - 5684/6.4=14, 2.1/7222=14...(7) HG2 GLN 42 + QE TYR 67 OK 29 75 - 39 - ~6780=7, 6778/2.2=6...(12) HD3 LYS 109 - QE TYR 67 OK 27 83 - 32 - 3.0/5871=7, 3.9/5868=6...(8) HD2 LYS 109 - QE TYR 67 OK 26 79 - 32 - 3.0/5871=7, 3.9/5868=6...(8) HG3 PRO 30 - QE TYR 67 OK 15 81 - 19 - 6592=3, ~6584=3, ~6586=2...(5) HB3 LYS 46 - QE TYR 67 OK 15 58 - 26 - 4.7/7218=5, ~8584=3...(8) HB2 PRO 37 - QE TYR 67 OK 12 82 - 15 - 2.3/7215=3, ~4684=2...(4) HG3 ARG 71 - QE TYR 67 poor 7 69 - 10 - 6592=1, 4687/2.2=1 HB2 LYS 32 - QE TYR 67 lone 6 82 - 7 - 4.7/8313=1 HB2 LEU 45 - QE TYR 67 lone 6 63 - 9 - 4687/2.2=1 HB3 GLU 56 - QE TYR 67 lone 3 73 - 4 - HB2 PRO 60 - QE TYR 67 lone 3 49 - 5 - 3.0/7216=1 Peak 7220 from cnoeabs.peaks (1.43, 6.79, 117.82 ppm; 4.87 A): 3 out of 13 assignments used, quality = 0.97: HD2 LYS 65 + QE TYR 67 OK 72 83 - 87 - 3.0/7217=31, 3.0/4696=25...(20) HD3 LYS 65 + QE TYR 67 OK 72 83 - 87 - 3.0/7217=31, 3.0/4696=25...(20) HB3 GLU 75 + QE TYR 67 OK 61 73 - 83 - 3.0/4693=24, 3.0/4697=17...(14) HB3 LEU 101 - QE TYR 67 OK 23 86 - 27 - ~8152=5, 4689/2.2=3...(7) QB ALA 98 - QE TYR 67 OK 16 83 - 19 - 2.1/7215=3, 4689/2.2=3...(8) HD2 LYS 46 - QE TYR 67 OK 16 56 - 28 - 3.0/4696=6, ~8584=3...(12) HB2 LEU 51 - QE TYR 67 OK 13 79 - 16 - 3.0/7216=4, ~6939=3...(5) HG LEU 24 - QE TYR 67 lone 6 73 - 9 - 5.3/8313=1, 2.1/6477=1 HB3 LEU 45 - QE TYR 67 lone 6 73 - 8 - HB3 LEU 91 - QE TYR 67 lone 6 87 - 7 - QB ALA 89 - QE TYR 67 lone 4 86 - 5 - QB ALA 122 - QE TYR 67 lone 2 67 - 3 - HG2 LYS 119 - QE TYR 67 lone 2 52 - 4 - Peak 7221 from cnoeabs.peaks (0.96, 6.79, 117.82 ppm; 5.03 A): 5 out of 9 assignments used, quality = 0.87: HG2 LYS 65 + QE TYR 67 OK 53 67 - 78 - 3.8/7217=29, 3.8/4696=23...(15) HG3 LYS 65 + QE TYR 67 OK 53 67 - 78 - 3.8/7217=29, 3.8/4696=23...(15) QD1 ILE 63 + QE TYR 67 OK 26 67 - 38 - 7130/2.2=8, 2.1/4697=7...(9) QD1 LEU 101 + QE TYR 67 OK 15 56 - 27 - 8152/2.2=6, 7709/4985=3...(10) QG2 ILE 124 + QE TYR 67 OK 10 88 - 11 - 4690/2.2=2, 3.2/7215=2, ~4684=1 QD1 LEU 41 - QE TYR 67 poor 8 47 - 16 - ~8294=2, 4.9/4817=2...(6) QG1 VAL 18 - QE TYR 67 poor 7 58 - 12 - ~6350=3, 2.1/8394=2, 4690/2.2=2 QG2 THR 95 - QE TYR 67 lone 7 78 - 8 - 4690/2.2=2, 8380/7379=2...(4) QD1 LEU 55 - QE TYR 67 poor 6 54 - 11 - ~8295=3, ~8294=3, 4690/2.2=2 Peak 7222 from cnoeabs.peaks (0.69, 6.79, 117.82 ppm; 4.85 A): 4 out of 5 assignments used, quality = 0.90: HG3 GLU 75 + QE TYR 67 OK 63 81 - 78 - 3.6/4693=21, 1.8/4697=20...(15) QG1 VAL 66 + QE TYR 67 OK 53 87 - 61 - 5685/6.4=19, 4691/2.2=16...(10) QD1 LEU 77 + QE TYR 67 OK 28 88 - 31 - 4691/2.2=7, ~8295=6...(11) QD2 LEU 54 + QE TYR 67 OK 22 75 - 29 - 2.1/6978=7, 4691/2.2=5...(6) QD2 LEU 24 - QE TYR 67 poor 6 49 - 11 - 4.8/8313=2, 372/7360=1, 6477=1 Peak 7223 from cnoeabs.peaks (0.70, 4.18, 63.94 ppm; 3.95 A): 5 out of 5 assignments used, quality = 0.80: QG1 VAL 66 + HA PRO 68 OK 58 99 - 59 - 7227/2.3=13, 7180/2.3=9...(16) QD1 LEU 114 + HA PRO 68 OK 26 81 - 32 - 7227/2.3=7, ~7958=5...(12) HG3 GLU 75 + HA PRO 68 OK 19 100 - 19 - 7227/2.3=4, 7241/3.6=3...(7) QD1 LEU 77 + HA PRO 68 OK 12 93 - 13 - 7227/2.3=3, 7229/2.3=2...(5) QD2 LEU 54 + HA PRO 68 OK 10 100 - 10 - 7227/2.3=2, 7241/3.6=2 Peak 7224 from cnoeabs.peaks (3.59, 4.18, 63.94 ppm; 4.94 A): 3 out of 7 assignments used, quality = 0.69: HD2 PRO 70 + HA PRO 68 OK 55 81 - 68 - 1.8/7225=27, 4.8/320=21...(13) HA2 GLY 48 + HA PRO 68 OK 18 99 - 18 - 3.6/5689=9, 8277/3.6=6 HA GLU 75 + HA PRO 68 OK 16 100 - 16 - 3.6/7223=6, ~7316=2...(5) HA VAL 115 - HA PRO 68 poor 8 65 - 12 - 7244/3.6=4, ~584=2...(4) HA LEU 111 - HA PRO 68 lone 8 89 - 9 - 8418/2.3=2, 7244/3.6=2 HA2 GLY 39 - HA PRO 68 lone 7 93 - 8 - 7244/3.6=2 HA LEU 51 - HA PRO 68 lone 2 57 - 3 - Peak 7225 from cnoeabs.peaks (3.46, 4.18, 63.94 ppm; 5.25 A): 2 out of 3 assignments used, quality = 0.66: HD3 PRO 70 + HA PRO 68 OK 62 100 - 62 - 7243/3.6=26, 1.8/7224=21...(11) HA VAL 18 + HA PRO 68 OK 11 89 - 12 - 7243/3.6=7, 3795/8322=2 HB2 SER 44 - HA PRO 68 lone 10 99 - 10 - 7243/3.6=6, 3795/8322=1 Peak 7226 from cnoeabs.peaks (0.89, 2.23, 32.13 ppm; 4.09 A): 5 out of 11 assignments used, quality = 0.75: QG1 VAL 49 + HB2 PRO 68 OK 42 96 - 44 - 6905/2.3=8, 7228/1.8=7...(12) QG2 VAL 49 + HB2 PRO 68 OK 24 68 - 36 - 4.0/5690=6, ~6905=5...(10) QD1 LEU 117 + HB2 PRO 68 OK 24 92 - 26 - 7228/1.8=4, 2.1/5168=4...(11) QD2 LEU 41 + HB2 PRO 68 OK 15 100 - 15 - 7228/1.8=4, 2807/2.3=2...(4) QD1 ILE 124 + HB2 PRO 68 OK 14 99 - 14 - 7228/1.8=4, 5371/2.3=2...(5) QD1 LEU 126 - HB2 PRO 68 lone 8 93 - 8 - 7228/1.8=2, 5411/2.3=1 QD2 LEU 126 - HB2 PRO 68 lone 5 78 - 7 - ~7228=1, 5418/2.3=1, 7228/1.8=1 QD2 LEU 59 - HB2 PRO 68 lone 5 96 - 5 - 7228/1.8=1 QD2 LEU 27 - HB2 PRO 68 lone 4 60 - 7 - 4.8/886=2, 7240/3.9=1 HB2 GLN 42 - HB2 PRO 68 lone 3 76 - 4 - HG13 ILE 80 - HB2 PRO 68 lone 1 71 - 2 - Peak 7227 from cnoeabs.peaks (0.70, 2.23, 32.13 ppm; 4.41 A): 5 out of 5 assignments used, quality = 0.94: QG1 VAL 66 + HB2 PRO 68 OK 80 99 - 81 - 7223/2.3=19, 7181=17...(22) QD1 LEU 114 + HB2 PRO 68 OK 44 81 - 55 - 2.1/7958=10, 7223/2.3=8...(23) HG3 GLU 75 + HB2 PRO 68 OK 25 100 - 25 - 7223/2.3=6, 7241/3.9=4...(9) QD1 LEU 77 + HB2 PRO 68 OK 18 93 - 19 - 7223/2.3=4, 7233/2.3=3...(7) QD2 LEU 54 + HB2 PRO 68 OK 16 100 - 16 - 7223/2.3=3, 7241/3.9=2...(5) Peak 7228 from cnoeabs.peaks (0.90, 1.98, 32.13 ppm; 4.45 A): 8 out of 13 assignments used, quality = 0.90: QG1 VAL 49 + HB3 PRO 68 OK 47 89 - 53 - 7226/1.8=12, 6905/2.3=8...(13) QG2 VAL 49 + HB3 PRO 68 OK 34 81 - 42 - ~7226=8, 4.0/5691=7...(9) QD1 LEU 117 + HB3 PRO 68 OK 25 97 - 26 - 7226/1.8=7, ~5168=3...(9) QD2 LEU 41 + HB3 PRO 68 OK 25 97 - 26 - 7226/1.8=4, 2807=2...(9) QD1 ILE 124 + HB3 PRO 68 OK 25 96 - 26 - 7226/1.8=4, 5371=3...(10) QG2 ILE 22 + HB3 PRO 68 OK 14 71 - 19 - 7240/3.9=2, 6434/3.0=1...(5) QD1 LEU 126 + HB3 PRO 68 OK 12 98 - 12 - 7226/1.8=2, 4.7/8128=2...(5) QG2 VAL 115 + HB3 PRO 68 OK 10 71 - 14 - 7240/3.9=3, 4.0/584=2...(5) QD2 LEU 59 - HB3 PRO 68 lone 7 89 - 8 - 7226/1.8=2 QD2 LEU 126 - HB3 PRO 68 poor 7 65 - 11 - 4.7/8128=2, 7226/1.8=2...(5) HB2 GLN 42 - HB3 PRO 68 lone 6 87 - 7 - QD2 LEU 27 - HB3 PRO 68 lone 5 73 - 7 - 7240/3.9=2, 7226/1.8=1 QD1 LEU 27 - HB3 PRO 68 lone 4 65 - 6 - 7240/3.9=1 Peak 7229 from cnoeabs.peaks (0.68, 1.98, 32.13 ppm; 4.97 A): 3 out of 6 assignments used, quality = 0.83: QG1 VAL 66 + HB3 PRO 68 OK 74 90 - 82 - 7179/2.3=15, 7181/1.8=15...(22) QD1 LEU 77 + HB3 PRO 68 OK 21 98 - 21 - 7233/2.3=4, 7235/3.0=3...(7) HG3 GLU 75 + HB3 PRO 68 OK 19 76 - 24 - 7223/2.3=4, 7233/2.3=4...(8) QD2 LEU 54 - HB3 PRO 68 poor 10 65 - 15 - 7233/2.3=2, 7227/1.8=2...(7) QD2 LEU 24 - HB3 PRO 68 lone 4 89 - 4 - QD1 LEU 21 - HB3 PRO 68 lone 2 68 - 3 - Peak 7232 from cnoeabs.peaks (0.12, 1.98, 27.06 ppm; 4.51 A): 3 out of 6 assignments used, quality = 0.52: QG1 VAL 110 + HG LEU 114 OK 26 55 - 48 - 7874/2.1=14, 7877=11...(8) QD2 LEU 84 + HG LEU 114 OK 23 55 - 42 - 7947/2.1=5, ~5090=4...(20) QD2 LEU 84 + HG2 PRO 68 OK 15 87 - 17 - 7487/2.3=3, 7487/2.3=3...(6) QG1 VAL 110 - HG2 PRO 68 lone 7 87 - 8 - 7877=2, 7877/2.3=1 QG1 VAL 110 - HG2 PRO 60 lone 5 76 - 6 - 7877=1 QD2 LEU 84 - HG2 PRO 60 lone 1 76 - 2 - Peak 7233 from cnoeabs.peaks (0.69, 1.87, 27.06 ppm; 4.08 A): 7 out of 10 assignments used, quality = 0.94: QG1 VAL 66 + HG3 PRO 68 OK 73 100 - 73 - 7179=18, 7229/2.3=13...(19) QD1 LEU 77 + HG LEU 55 OK 42 92 - 46 - 4028/3.0=8, ~4021=5...(19) QG1 VAL 66 + HG LEU 55 OK 26 91 - 29 - 7179=6, 7200/4.7=5...(8) HG3 GLU 75 + HG3 PRO 68 OK 19 96 - 20 - 7227/2.3=4, 7223/3.8=4...(7) QD1 LEU 77 + HG3 PRO 68 OK 18 100 - 18 - 7229/2.3=4, 7227/2.3=3...(6) QD2 LEU 54 + HG LEU 55 OK 13 79 - 17 - 249/4.7=7, 7007/4.3=3 QD2 LEU 54 + HG3 PRO 68 OK 11 90 - 12 - 7227/2.3=2, 7223/3.8=2...(6) HG3 GLU 75 - HG LEU 55 lone 5 85 - 6 - 249/4.7=2 QD2 LEU 24 - HG3 PRO 68 lone 2 63 - 3 - QD2 LEU 24 - HG LEU 55 lone 2 53 - 3 - Peak 7234 from cnoeabs.peaks (0.70, 1.98, 27.06 ppm; 3.79 A): 5 out of 15 assignments used, quality = 0.93: QG1 VAL 66 + HG2 PRO 68 OK 67 100 - 67 - 7179/1.8=13, 7227/2.3=11...(18) QD1 LEU 114 + HG LEU 114 OK 39 39 - 100 - 2.1=100 QD2 LEU 54 + HG2 PRO 60 OK 33 88 - 38 - 3214/2.3=4, ~6997=4...(16) QD1 LEU 114 + HG2 PRO 68 OK 30 65 - 46 - 7227/2.3=6, ~7958=5...(21) QD2 LEU 54 + HG LEU 114 OK 22 66 - 33 - ~3211=4, ~3217=4...(15) HG3 GLU 75 - HG2 PRO 68 OK 18 99 - 18 - 7227/2.3=4, 7223/3.8=3...(7) QD1 LEU 77 - HG2 PRO 68 OK 16 99 - 16 - 7233/1.8=3, 7229/2.3=3...(6) QG1 VAL 66 - HG LEU 114 OK 15 71 - 21 - 7193/4.3=5, 7180=3...(7) QD2 LEU 54 - HG2 PRO 68 OK 11 97 - 11 - 7227/2.3=2, 7223/3.8=2...(4) HG3 GLU 75 - HG2 PRO 60 poor 10 91 - 11 - 3976/2.3=2 HG3 GLU 75 - HG LEU 114 lone 6 69 - 9 - ~3959=1, ~3965=1, ~7315=1 QG1 VAL 66 - HG2 PRO 60 lone 5 93 - 5 - QD1 LEU 114 - HG2 PRO 60 lone 5 56 - 9 - ~7089=1 QD1 LEU 77 - HG2 PRO 60 lone 3 90 - 3 - QD1 LEU 77 - HG LEU 114 lone 2 67 - 2 - Peak 7235 from cnoeabs.peaks (0.68, 3.91, 51.16 ppm; 4.22 A): 2 out of 12 assignments used, quality = 0.93: QG1 VAL 66 + HD2 PRO 68 OK 74 90 - 82 - 5685/4.8=21, 7229/3.0=14...(25) QG1 VAL 66 + HD3 PRO 68 OK 74 90 - 82 - 5685/4.8=21, 7229/3.0=14...(25) QD1 LEU 77 - HD2 PRO 68 OK 18 98 - 18 - 7229/3.0=4, 7233/2.3=3...(8) HG3 GLU 75 - HD2 PRO 68 OK 18 76 - 24 - 318/4.8=4, 7229/3.0=3...(10) QD1 LEU 77 - HD3 PRO 68 OK 18 98 - 18 - 7229/3.0=4, 7233/2.3=3...(8) HG3 GLU 75 - HD3 PRO 68 OK 18 76 - 24 - 318/4.8=4, 7229/3.0=3...(10) QD2 LEU 54 - HD2 PRO 68 poor 9 65 - 13 - 318/4.8=2, 7229/3.0=2...(6) QD2 LEU 54 - HD3 PRO 68 poor 9 65 - 13 - 318/4.8=2, 7229/3.0=2...(6) QD2 LEU 24 - HD2 PRO 68 lone 3 89 - 4 - QD2 LEU 24 - HD3 PRO 68 lone 3 88 - 3 - QD1 LEU 21 - HD2 PRO 68 lone 1 68 - 2 - QD1 LEU 21 - HD3 PRO 68 lone 1 68 - 2 - Peak 7236 from cnoeabs.peaks (0.77, 3.92, 51.16 ppm; 4.66 A): 2 out of 14 assignments used, quality = 0.99: QG2 VAL 66 + HD2 PRO 68 OK 89 100 - 89 - 5686/4.8=28, 2.1/7186=13...(27) QG2 VAL 66 + HD3 PRO 68 OK 89 100 - 89 - 5686/4.8=28, 2.1/7186=13...(27) QG2 ILE 63 - HD2 PRO 68 OK 28 98 - 29 - 319/4.8=5, 3.2/7152=4...(7) QG2 ILE 63 - HD3 PRO 68 OK 28 98 - 29 - 319/4.8=5, 3.2/7152=4...(7) QD1 LEU 84 - HD2 PRO 68 OK 16 78 - 20 - ~7232=5, 2.1/7487=3...(5) QD1 LEU 84 - HD3 PRO 68 OK 16 78 - 20 - ~7232=5, ~7487=3...(5) QD2 LEU 93 - HD2 PRO 68 lone 5 92 - 6 - 319/4.8=1 QD2 LEU 93 - HD3 PRO 68 lone 5 92 - 6 - 319/4.8=1 HG LEU 111 - HD2 PRO 68 lone 4 85 - 5 - HG LEU 111 - HD3 PRO 68 lone 4 85 - 5 - QD1 LEU 91 - HD3 PRO 68 lone 4 68 - 6 - 7484/3.8=2, 319/4.8=1 QD1 LEU 91 - HD2 PRO 68 lone 4 68 - 6 - 7484/3.8=2, 319/4.8=1 QD1 LEU 111 - HD2 PRO 68 lone 4 65 - 5 - 319/4.8=1 QD1 LEU 111 - HD3 PRO 68 lone 4 65 - 5 - 319/4.8=1 Peak 7237 from cnoeabs.peaks (2.84, 3.92, 51.16 ppm; 4.39 A): 4 out of 20 assignments used, quality = 1.00: HB2 TYR 67 + HD3 PRO 68 OK 92 100 - 92 - 4.8=77, 3.0/8314=16...(13) HB3 TYR 67 + HD3 PRO 68 OK 92 100 - 92 - 4.8=77, 3.0/8314=16...(13) HB2 TYR 67 + HD2 PRO 68 OK 92 100 - 92 - 4.8=77, 3.0/8314=16...(12) HB3 TYR 67 + HD2 PRO 68 OK 92 100 - 92 - 4.8=77, 3.0/8314=16...(12) HB2 ASN 79 - HD2 PRO 68 OK 20 100 - 20 - 3692/4.8=5, 3693/3.8=4 HB2 ASN 79 - HD3 PRO 68 OK 20 100 - 20 - 3686/4.8=5, 3687/3.8=4...(4) HB3 PHE 107 - HD2 PRO 68 OK 14 99 - 14 - 2.4/7239=4, ~7239=3...(4) HB3 PHE 107 - HD3 PRO 68 OK 14 99 - 14 - 2.4/7239=4, ~7239=3...(4) HG CYS 52 - HD2 PRO 68 lone 5 93 - 5 - 1096/4.8=1 HG CYS 52 - HD3 PRO 68 lone 5 93 - 5 - 1096/4.8=1 HB2 ASN 99 - HD2 PRO 68 lone 5 100 - 4 - 3683/3.8=1 HB2 ASN 99 - HD3 PRO 68 lone 4 100 - 4 - 3682/3.8=1 HB2 CYS 76 - HD3 PRO 68 lone 3 85 - 4 - HB2 CYS 76 - HD2 PRO 68 lone 3 85 - 4 - HB2 ASP 36 - HD2 PRO 68 lone 3 100 - 3 - HB2 ASP 36 - HD3 PRO 68 lone 3 100 - 3 - HE3 LYS 119 - HD2 PRO 68 lone 2 73 - 3 - HE3 LYS 119 - HD3 PRO 68 lone 2 73 - 3 - HE2 LYS 119 - HD2 PRO 68 lone 2 71 - 3 - HE2 LYS 119 - HD3 PRO 68 lone 2 71 - 3 - Peak 7238 from cnoeabs.peaks (9.60, 3.91, 51.16 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: H TYR 67 + HD2 PRO 68 OK 100 100 - 100 - 4.8=100 H TYR 67 + HD3 PRO 68 OK 100 100 - 100 - 4.8=100 Peak 7239 from cnoeabs.peaks (7.20, 3.91, 51.16 ppm; 4.53 A): 3 out of 12 assignments used, quality = 0.94: QD TYR 67 + HD3 PRO 68 OK 72 100 - 72 - 4577/3.8=31, 4829/4.8=27...(11) QD TYR 67 + HD2 PRO 68 OK 72 100 - 72 - 4577/3.8=31, 4829/4.8=27...(10) QD PHE 107 + HD2 PRO 68 OK 27 99 - 27 - 1099/4.8=5, 3685/3.8=5...(8) QD PHE 107 - HD3 PRO 68 OK 27 99 - 27 - 1099/4.8=5, 3685/3.8=5...(8) H LYS 65 - HD2 PRO 68 OK 14 85 - 16 - 1099/4.8=4, 3685/3.8=2...(5) H LYS 65 - HD3 PRO 68 OK 14 85 - 16 - 1099/4.8=4, 3685/3.8=2...(5) QD TYR 102 - HD2 PRO 68 lone 6 63 - 10 - 1099/4.8=2, 3685/3.8=1 QD TYR 102 - HD3 PRO 68 lone 6 63 - 9 - 1099/4.8=2, 3685/3.8=1 QE PHE 40 - HD2 PRO 68 lone 4 71 - 6 - QE PHE 40 - HD3 PRO 68 lone 4 71 - 6 - HE ARG 81 - HD2 PRO 68 lone 4 95 - 4 - HE ARG 81 - HD3 PRO 68 lone 4 94 - 4 - Peak 7245 from cnoeabs.peaks (3.47, 4.58, 53.03 ppm; 3.61 A): 2 out of 8 assignments used, quality = 0.97: HD3 PRO 70 + HA GLU 69 OK 95 99 - 96 - 3.8=88, 1.8/7265=21...(14) HD3 PRO 70 + HA ASP 47 OK 44 95 - 47 - 7266=12, ~8328=11...(10) HA VAL 18 - HA GLU 69 OK 24 96 - 25 - 3795/3.8=5, 7243/3.0=4...(8) HB2 SER 44 - HA GLU 69 OK 20 97 - 21 - 7243/3.0=4, 3795/3.8=4...(8) HB2 SER 44 - HA ASP 47 OK 15 91 - 16 - 2869/3.0=4, 4.6/965=3...(6) HB3 SER 44 - HA GLU 69 poor 7 57 - 13 - ~7243=2, ~7251=2...(5) HB3 SER 44 - HA ASP 47 poor 6 52 - 12 - 4.6/965=3, ~2869=2...(6) HA VAL 18 - HA ASP 47 lone 3 90 - 4 - Peak 7246 from cnoeabs.peaks (3.59, 4.58, 53.03 ppm; 3.76 A): 5 out of 14 assignments used, quality = 0.93: HD2 PRO 70 + HA GLU 69 OK 80 81 - 99 - 3.8=99 HD2 PRO 70 + HA ASP 47 OK 35 74 - 47 - ~8328=12, 1.8/7266=10...(10) HA2 GLY 48 + HA ASP 47 OK 24 94 - 25 - ~207=10, ~209=8, ~1456=6 HA2 GLY 48 + HA GLU 69 OK 18 99 - 18 - 3.0/208=4, 8277/3.0=4...(5) HA GLU 75 + HA GLU 69 OK 11 100 - 11 - 3801/3.8=2, 7244/3.0=1...(5) HA VAL 115 - HA GLU 69 poor 10 65 - 15 - 7244/3.0=3, 3801/3.8=2...(8) HA2 GLY 39 - HA GLU 69 lone 8 93 - 8 - 3801/3.8=2, 7244/3.0=1 HA LEU 111 - HA GLU 69 lone 4 89 - 5 - 7244/3.0=1 HA GLU 75 - HA ASP 47 lone 3 96 - 3 - 986/3.6=1 HA VAL 115 - HA ASP 47 lone 3 60 - 5 - ~6870=2, ~6873=1 HA LEU 51 - HA ASP 47 lone 3 52 - 5 - 986/3.6=3 HA LEU 51 - HA GLU 69 lone 2 57 - 3 - ~1612=2 HA2 GLY 39 - HA ASP 47 lone 1 87 - 2 - HA LEU 111 - HA ASP 47 lone 1 82 - 2 - Peak 7247 from cnoeabs.peaks (3.46, 2.15, 36.01 ppm; 4.92 A): 3 out of 4 assignments used, quality = 0.88: HD3 PRO 70 + HG2 GLU 69 OK 80 100 - 81 - 3.8/3778=23, 4.8/3780=19...(16) HB2 SER 44 + HG2 GLU 69 OK 25 100 - 25 - 7251/3.0=6, 7248/1.8=6...(5) HA VAL 18 + HG2 GLU 69 OK 22 76 - 29 - 7248/1.8=6, 7251/3.0=5...(10) HD2 PRO 37 - HG2 GLU 69 lone 2 65 - 2 - Peak 7248 from cnoeabs.peaks (3.46, 2.09, 36.01 ppm; 5.07 A): 5 out of 9 assignments used, quality = 0.94: HD3 PRO 70 + HG3 GLU 69 OK 82 100 - 83 - 7247/1.8=26, 7266/4.0=22...(16) HA VAL 18 + HG3 GLU 69 OK 31 87 - 35 - 7247/1.8=7, 7243/5.0=5...(12) HB2 SER 44 + HG3 GLU 69 OK 27 100 - 27 - 7247/1.8=8, 7251/3.0=6...(5) HD3 PRO 70 + HB ILE 63 OK 17 50 - 34 - 8326/3.0=3, ~7141=3...(19) HD3 PRO 70 + HG2 GLU 64 OK 16 85 - 19 - 3.8/3784=2, 1.8/7249=2...(8) HA VAL 18 - HG2 GLU 64 lone 6 67 - 8 - HA VAL 18 - HB ILE 63 poor 5 38 - 13 - ~8392=1, ~8400=1, 6356=1 HB2 SER 44 - HG2 GLU 64 lone 2 83 - 2 - HB2 SER 44 - HB ILE 63 lone 2 49 - 4 - Peak 7249 from cnoeabs.peaks (3.61, 2.09, 36.01 ppm; 5.40 A): 3 out of 18 assignments used, quality = 0.93: HD2 PRO 70 + HG3 GLU 69 OK 87 100 - 87 - 7265/4.0=23, ~7247=22...(18) HA VAL 115 + HG3 GLU 69 OK 28 97 - 29 - 7250/1.8=6, 7244/5.0=4...(11) HA2 GLY 48 + HG3 GLU 69 OK 21 73 - 29 - 6883/1.8=8, ~6889=5...(7) HD2 PRO 70 - HB ILE 63 OK 19 49 - 38 - 1.8/7248=4, 7262/3.2=4...(20) HA GLU 75 - HG3 GLU 69 OK 19 81 - 23 - 7250/1.8=4, 3.0/7315=2...(11) HD2 PRO 70 - HG2 GLU 64 OK 16 83 - 19 - 1.8/7248=4, 3.8/3784=3...(8) HA LEU 111 - HB ILE 63 OK 16 50 - 32 - 6220=5, 4.0/7909=4...(14) HA2 GLY 39 - HG3 GLU 69 OK 12 100 - 12 - 7250/1.8=2, 7244/5.0=2...(5) HA LEU 111 - HG3 GLU 69 OK 12 100 - 11 - 7250/1.8=2, 6220=2, 7244/5.0=2 HA2 GLY 39 - HB ILE 63 poor 7 50 - 14 - ~7127=4, ~6734=2...(5) HA VAL 115 - HB ILE 63 poor 6 45 - 13 - 3.0/582=1, 5102/3.2=1, ~3518=1 HA2 GLY 39 - HG2 GLU 64 lone 6 84 - 7 - ~154=1 HA LEU 111 - HG2 GLU 64 lone 5 85 - 6 - 4.0/7909=2, 6220=1 HA GLU 75 - HB ILE 63 poor 5 34 - 14 - 6096/3.0=2, 7310=2...(6) HA GLU 75 - HG2 GLU 64 lone 4 62 - 6 - HA VAL 115 - HG2 GLU 64 lone 4 78 - 4 - HA2 GLY 48 - HG2 GLU 64 lone 2 55 - 4 - HA2 GLY 48 - HB ILE 63 lone 2 30 - 6 - 3.6/3783=1 Peak 7250 from cnoeabs.peaks (3.60, 2.15, 36.01 ppm; 5.35 A): 5 out of 6 assignments used, quality = 0.94: HD2 PRO 70 + HG2 GLU 69 OK 85 97 - 87 - 1.8/7247=28, 3.8/3778=25...(17) HA2 GLY 48 + HG2 GLU 69 OK 31 85 - 36 - 6883=10, 3.6/3777=6...(8) HA VAL 115 + HG2 GLU 69 OK 27 90 - 30 - 7249/1.8=4, 7244/5.0=4...(13) HA GLU 75 + HG2 GLU 69 OK 18 90 - 20 - 7249/1.8=3, 7246/4.0=2...(11) HA2 GLY 39 + HG2 GLU 69 OK 11 100 - 11 - 7244/5.0=2, 7249/1.8=2...(6) HA LEU 111 - HG2 GLU 69 lone 10 99 - 10 - 6220/1.8=2, 7244/5.0=2 Peak 7251 from cnoeabs.peaks (3.45, 1.94, 30.00 ppm; 5.21 A): 1 out of 4 assignments used, quality = 0.97: HD3 PRO 70 + HB3 GLU 69 OK 97 97 - 100 - 4.8=100 HB2 SER 44 - HB3 GLU 69 OK 32 99 - 32 - 7247/3.0=7, 7252/1.8=7...(7) HA VAL 18 - HB3 GLU 69 OK 24 60 - 41 - 3795/4.8=7, 7243/3.6=6...(13) HD2 PRO 37 - HB3 GLU 69 lone 3 81 - 3 - Peak 7252 from cnoeabs.peaks (3.45, 1.83, 30.00 ppm; 5.09 A): 1 out of 8 assignments used, quality = 0.97: HD3 PRO 70 + HB2 GLU 69 OK 97 97 - 100 - 4.8=100 HD3 PRO 70 - HB3 GLN 105 OK 35 87 - 40 - ~8320=6, 3.8/3766=5...(17) HB2 SER 44 - HB2 GLU 69 OK 32 99 - 32 - 7251/1.8=8, 7247/3.0=7...(7) HA VAL 18 - HB2 GLU 69 OK 23 60 - 39 - 3795/4.8=7, 7251/1.8=6...(11) HB2 SER 44 - HB3 GLN 105 lone 3 90 - 3 - HA VAL 18 - HB3 GLN 105 lone 3 50 - 6 - HD2 PRO 37 - HB2 GLU 69 lone 2 81 - 3 - HD2 PRO 37 - HB3 GLN 105 lone 2 69 - 3 - Peak 7253 from cnoeabs.peaks (1.44, 2.24, 33.65 ppm; 4.65 A): 2 out of 16 assignments used, quality = 0.94: HB3 GLU 75 + HB2 PRO 70 OK 78 99 - 79 - 8334/3.9=26, 4.3/8318=12...(19) HB3 LEU 101 + HB2 PRO 70 OK 72 100 - 72 - 7257/1.8=12, 1.8/3812=8...(27) QB ALA 14 - HB2 PRO 70 OK 15 78 - 19 - 3.7/809=6, 2.1/6302=2...(6) HB3 LEU 91 - HB2 PRO 70 OK 14 93 - 15 - 7257/1.8=2, 7279/3.9=2...(4) HB2 LEU 93 - HB2 PRO 70 OK 14 78 - 18 - 3.0/8320=4, 3.1/8524=2...(5) HD2 LYS 46 - HB2 PRO 70 OK 12 92 - 13 - 7257/1.8=2, 7279/3.9=1 HB3 LEU 45 - HB2 PRO 70 OK 11 99 - 11 - 7279/3.9=3, 7257/1.8=2...(4) HG3 ARG 57 - HB2 PRO 70 poor 7 73 - 10 - 5.1/8318=3 HG2 LYS 119 - HB2 PRO 70 lone 7 89 - 8 - 4.9/8318=2 HD2 LYS 65 - HB2 PRO 70 lone 7 100 - 7 - HD3 LYS 65 - HB2 PRO 70 lone 7 100 - 7 - HB2 LEU 51 - HB2 PRO 70 lone 6 76 - 8 - ~6935=2, 4.6/8318=1 HG3 LYS 31 - HB2 PRO 70 lone 5 83 - 6 - 7279/3.9=2 QB ALA 89 - HB2 PRO 70 lone 5 100 - 5 - HG LEU 24 - HB2 PRO 70 lone 5 99 - 5 - QB ALA 98 - HB2 PRO 70 lone 5 83 - 6 - 7659/3.9=1, 7257/1.8=1 Peak 7254 from cnoeabs.peaks (0.89, 2.24, 33.65 ppm; 5.26 A): 4 out of 8 assignments used, quality = 0.87: QG1 VAL 49 + HB2 PRO 70 OK 59 100 - 59 - 7264/2.3=17, 8495/3.0=10...(14) QD1 LEU 117 + HB2 PRO 70 OK 39 78 - 50 - 7264/2.3=9, 2.1/5168=6...(18) QD2 LEU 41 + HB2 PRO 70 OK 35 100 - 35 - 7264/2.3=9, 6753/3.0=5...(10) HG13 ILE 80 + HB2 PRO 70 OK 23 87 - 26 - 7264/2.3=6, ~8514=3...(12) QD2 LEU 126 - HB2 PRO 70 lone 6 92 - 6 - 7264/2.3=2 QD2 LEU 59 - HB2 PRO 70 lone 5 100 - 5 - 7264/2.3=2 QD1 ILE 124 - HB2 PRO 70 lone 5 100 - 5 - 7264/2.3=1 QD1 LEU 126 - HB2 PRO 70 lone 4 81 - 5 - ~7264=1, 7264/2.3=1 Peak 7255 from cnoeabs.peaks (2.82, 2.10, 33.65 ppm; 4.20 A): 5 out of 9 assignments used, quality = 0.90: HB2 ASN 79 + HB3 PRO 70 OK 60 76 - 79 - 3.5/7267=11, 3.5/7268=9...(33) HB2 CYS 76 + HB3 PRO 70 OK 41 100 - 41 - 3.0/8319=9, ~8320=9...(12) HB2 TYR 67 + HB3 PRO 70 OK 31 85 - 37 - ~7259=4, 8312/2.3=4...(15) HB3 TYR 67 + HB3 PRO 70 OK 31 85 - 37 - ~7259=4, 8312/2.3=4...(15) HB3 PHE 107 + HB3 PRO 70 OK 10 73 - 14 - ~4772=3, ~4800=2...(5) HB2 ASN 99 - HB3 PRO 70 lone 7 81 - 9 - HB2 ASP 36 - HB3 PRO 70 lone 3 81 - 4 - HB2 ASN 108 - HB3 PRO 70 lone 1 68 - 1 - HB2 ASP 97 - HB3 PRO 70 lone 1 60 - 2 - Peak 7256 from cnoeabs.peaks (1.77, 2.10, 33.65 ppm; 4.34 A): 4 out of 15 assignments used, quality = 0.96: HB2 GLU 75 + HB3 PRO 70 OK 72 100 - 72 - 8335/3.9=22, 7319/2.3=11...(18) HB2 PRO 37 + HB3 PRO 70 OK 54 96 - 56 - 8255/2.3=7, 2.3/3821=6...(29) HB3 GLU 56 + HB3 PRO 70 OK 46 87 - 53 - 1.8/3821=6, ~7024=5...(24) HB2 PRO 60 + HB3 PRO 70 OK 46 60 - 76 - 2.3/3821=9, 2.3/3817=7...(44) HB2 LEU 117 - HB3 PRO 70 OK 44 100 - 44 - 5140/1.8=6, 1.8/3818=4...(21) HG LEU 117 - HB3 PRO 70 OK 43 96 - 45 - ~7264=5, 5154/1.8=5...(20) HG3 ARG 71 - HB3 PRO 70 OK 33 87 - 38 - 5.0/329=13, 4.0/3817=6...(10) HG3 PRO 30 - HB3 PRO 70 OK 13 97 - 14 - 3870/3.9=3, 3.8/3817=1, ~8325=1 HG2 GLN 42 - HB3 PRO 70 lone 9 92 - 10 - ~6013=2, 3.0/7258=1 HB3 LYS 46 - HB3 PRO 70 poor 8 76 - 11 - 3.5/7257=1 HB2 LYS 32 - HB3 PRO 70 lone 8 96 - 8 - 4.0/7268=2, 4.7/7267=1 HB2 LEU 45 - HB3 PRO 70 lone 7 81 - 9 - 1.8/7257=2, 1111/3.9=1, ~7253=1 HB VAL 66 - HB3 PRO 70 lone 5 65 - 7 - ~8436=2, ~7181=1, ~8509=1 HD3 LYS 109 - HB3 PRO 70 lone 2 98 - 2 - HD2 LYS 109 - HB3 PRO 70 lone 2 96 - 2 - Peak 7257 from cnoeabs.peaks (1.44, 2.10, 33.65 ppm; 4.56 A): 2 out of 17 assignments used, quality = 0.93: HB3 LEU 101 + HB3 PRO 70 OK 75 100 - 75 - 4660=11, 7253/1.8=10...(29) HB3 GLU 75 + HB3 PRO 70 OK 73 96 - 76 - 8334/3.9=24, 7315=12...(18) HB3 LEU 91 - HB3 PRO 70 OK 14 98 - 15 - 7253/1.8=2, 4387/2.3=2...(5) HB3 LEU 45 - HB3 PRO 70 OK 11 96 - 12 - 7279/3.9=3, 7253/1.8=2...(4) HD2 LYS 46 - HB3 PRO 70 OK 11 83 - 13 - 7253/1.8=2, 7279/3.9=1 HB2 LEU 93 - HB3 PRO 70 poor 10 65 - 14 - ~8320=3, 7253/1.8=2...(5) QB ALA 14 - HB3 PRO 70 poor 9 65 - 15 - 3.7/806=3, 7253/1.8=2...(4) QB ALA 98 - HB3 PRO 70 lone 6 92 - 7 - 7659/3.9=1 HB2 LEU 51 - HB3 PRO 70 lone 6 87 - 7 - ~6935=2 HD2 LYS 65 - HB3 PRO 70 lone 6 100 - 6 - HD3 LYS 65 - HB3 PRO 70 lone 6 100 - 6 - HG LEU 24 - HB3 PRO 70 lone 5 96 - 5 - HG3 ARG 57 - HB3 PRO 70 lone 5 60 - 8 - 7253/1.8=1 QB ALA 89 - HB3 PRO 70 lone 4 100 - 4 - HG3 LYS 31 - HB3 PRO 70 lone 4 71 - 6 - 7279/3.9=2 HG2 LYS 119 - HB3 PRO 70 lone 4 78 - 5 - QB ALA 122 - HB3 PRO 70 lone 1 71 - 2 - Peak 7258 from cnoeabs.peaks (0.92, 2.10, 33.65 ppm; 4.98 A): 5 out of 11 assignments used, quality = 0.94: QG2 VAL 49 + HB3 PRO 70 OK 54 100 - 54 - ~7264=12, 6906/3.0=11...(13) QG2 VAL 115 + HB3 PRO 70 OK 46 100 - 47 - 7262/3.0=7, ~6246=6...(13) QD1 LEU 117 + HB3 PRO 70 OK 46 96 - 48 - 6906/3.0=6, 7262/3.0=5...(16) QD1 LEU 41 + HB3 PRO 70 OK 34 97 - 35 - ~7264=6, ~7254=5...(9) QD1 ILE 63 + HB3 PRO 70 OK 30 83 - 36 - 7262/3.0=4, 7148/2.3=3...(18) QD2 LEU 27 - HB3 PRO 70 OK 28 100 - 28 - 6532/3.0=10, 7262/3.0=4...(7) QD1 LEU 27 - HB3 PRO 70 OK 26 100 - 26 - ~6532=7, 7263/3.0=3...(7) QD1 LEU 55 - HB3 PRO 70 OK 24 93 - 26 - 6906/3.0=5, 7262/3.0=4...(6) QG2 ILE 22 - HB3 PRO 70 OK 21 100 - 21 - ~6440=4, 7263/3.0=3...(8) HB2 GLN 42 - HB3 PRO 70 OK 16 100 - 16 - 6013/3.0=4, ~6015=2, 7263/3.0=2 QD1 LEU 126 - HB3 PRO 70 lone 6 95 - 7 - ~7264=1 Peak 7259 from cnoeabs.peaks (2.84, 2.24, 33.65 ppm; 4.40 A): 3 out of 10 assignments used, quality = 0.95: HB2 ASN 79 + HB2 PRO 70 OK 84 100 - 84 - 3.5/7269=12, 7461/2.3=12...(32) HB2 TYR 67 + HB2 PRO 70 OK 45 100 - 45 - 7461/2.3=5, ~7255=5...(16) HB3 TYR 67 + HB2 PRO 70 OK 45 100 - 45 - 7461/2.3=5, ~7255=5...(16) HB2 CYS 76 - HB2 PRO 70 OK 37 76 - 49 - 3.0/8320=14, 4.0/8318=11...(11) HB3 PHE 107 - HB2 PRO 70 OK 20 100 - 20 - 2.4/4800=3, ~4772=3...(9) HB2 ASN 99 - HB2 PRO 70 OK 12 100 - 11 - 7461/2.3=2, 8323/3.0=1 HB2 ASP 36 - HB2 PRO 70 lone 8 100 - 7 - 7461/2.3=2 HE3 LYS 119 - HB2 PRO 70 lone 5 83 - 7 - HE2 LYS 119 - HB2 PRO 70 lone 5 81 - 7 - HG CYS 52 - HB2 PRO 70 lone 4 97 - 4 - Peak 7260 from cnoeabs.peaks (0.92, 2.35, 28.63 ppm; 3.78 A): 5 out of 52 assignments used, quality = 0.92: QG2 VAL 49 + HG2 PRO 70 OK 44 100 - 45 - 6906/2.3=9, 8280=8...(10) QD1 ILE 63 + HB3 GLU 82 OK 43 64 - 67 - 8648/3.0=15, 7150/3.0=14...(17) QD1 ILE 63 + HB2 GLU 82 OK 43 64 - 67 - 8648/3.0=15, 7150/3.0=14...(17) QD1 LEU 117 + HG2 PRO 70 OK 34 99 - 34 - 6906/2.3=5, 8280=5...(15) QG2 VAL 115 + HG2 PRO 70 OK 31 98 - 32 - 3.2/6246=6, 7262/2.3=5...(10) QD1 LEU 41 - HG2 PRO 70 OK 22 89 - 24 - ~7264=4, 7262/2.3=4...(9) QD2 LEU 27 - HG2 PRO 70 OK 20 99 - 20 - 6532/2.3=7, 7262/2.3=3...(7) QD1 LEU 27 - HG2 PRO 70 OK 19 97 - 19 - ~6532=4, 7263/2.3=3...(7) QD1 ILE 63 - HG2 PRO 70 OK 17 68 - 26 - 7262/2.3=3, 7263/2.3=2...(8) QD2 LEU 27 - HB3 GLU 82 OK 17 96 - 18 - 2298/3.0=3, ~7452=2...(11) QD2 LEU 27 - HB2 GLU 82 OK 17 96 - 18 - 2298/3.0=3, ~7452=2...(11) QD1 LEU 27 - HB3 GLU 82 OK 16 93 - 17 - 2291/3.0=3, ~2298=2...(11) QD1 LEU 27 - HB2 GLU 82 OK 16 93 - 17 - 2291/3.0=3, ~2298=2...(11) QD1 LEU 55 - HG2 PRO 70 OK 16 83 - 19 - 6906/2.3=4, 8280=3...(7) QG2 ILE 22 - HG2 PRO 70 OK 13 98 - 14 - ~6440=2, 7263/2.3=2...(5) QD2 LEU 41 - HG2 PRO 70 OK 13 68 - 19 - 6753/2.3=3, 7264/1.8=3...(9) HB2 GLN 42 - HG2 PRO 70 lone 10 100 - 10 - 6013/2.3=3, 7263/2.3=1, ~6015=1 QD1 LEU 55 - HB2 GLU 82 lone 7 78 - 9 - 8280=1, 7465/4.3=1, 8280/1.8=1 QD1 LEU 55 - HB3 GLU 82 lone 7 78 - 9 - 8280=1, 7465/4.3=1, 8280/1.8=1 QG2 ILE 22 - HB3 GLU 82 lone 7 95 - 7 - 6427/4.3=3 QG2 ILE 22 - HB2 GLU 82 lone 7 95 - 7 - 6427/4.3=3 QG2 VAL 49 - HB3 GLU 82 lone 7 97 - 7 - 8280=1 QG2 VAL 49 - HB2 GLU 82 lone 7 97 - 7 - 8280=1 QG2 VAL 115 - HB2 GLU 82 lone 7 95 - 7 - 3.2/6246=1 QG2 VAL 115 - HB3 GLU 82 lone 7 95 - 7 - 3.2/6246=1 HB2 GLN 42 - HB2 GLN 103 lone 5 75 - 7 - 5568/4.4=4 QD1 LEU 41 - HB2 GLU 82 lone 5 84 - 6 - 7465/4.3=1 QD1 LEU 41 - HB3 GLU 82 lone 5 84 - 6 - 7465/4.3=1 QD1 LEU 126 - HG2 PRO 70 lone 5 99 - 4 - QD1 LEU 117 - HB3 GLU 82 lone 4 97 - 4 - QD1 LEU 117 - HB2 GLU 82 lone 4 97 - 4 - QD1 ILE 63 - HB2 GLN 103 lone 4 44 - 9 - 8648/3.0=3, ~8649=2 HB2 GLN 42 - HB2 GLU 82 lone 3 98 - 3 - HB2 GLN 42 - HB3 GLU 82 lone 3 98 - 3 - QD1 LEU 41 - HB2 GLN 103 lone 2 60 - 4 - QD1 LEU 117 - HB2 GLN 103 lone 2 73 - 3 - QD2 LEU 41 - HB2 GLU 82 lone 2 64 - 4 - QD2 LEU 41 - HB3 GLU 82 lone 2 64 - 4 - QG2 VAL 115 - HB2 GLN 103 lone 2 71 - 3 - QD1 LEU 55 - HB2 GLN 103 lone 2 55 - 3 - QD2 LEU 41 - HB2 GLN 103 lone 2 44 - 4 - QD2 LEU 27 - HB2 GLN 103 lone 2 72 - 2 - QD1 ILE 124 - HB2 GLU 82 lone 1 59 - 2 - QD1 ILE 124 - HB3 GLU 82 lone 1 59 - 2 - QD1 LEU 27 - HB2 GLN 103 lone 1 69 - 2 - QG2 VAL 49 - HB2 GLN 103 lone 1 74 - 2 - QD1 ILE 124 - HB2 GLN 103 lone 1 40 - 3 - QD1 ILE 124 - HG2 PRO 70 lone 1 63 - 2 - QD1 LEU 126 - HB2 GLU 82 lone 1 96 - 1 - QD1 LEU 126 - HB3 GLU 82 lone 1 96 - 1 - QG2 ILE 22 - HB2 GLN 103 lone 1 71 - 1 - QD1 LEU 126 - HB2 GLN 103 lone 1 72 - 1 - Peak 7261 from cnoeabs.peaks (0.75, 2.35, 28.63 ppm; 4.76 A): 2 out of 32 assignments used, quality = 0.98: QG2 ILE 63 + HB3 GLU 82 OK 86 95 - 91 - 7143/3.0=30, 8649/3.0=29...(22) QG2 ILE 63 + HB2 GLU 82 OK 86 95 - 91 - 7143/3.0=30, 8649/3.0=29...(22) QG2 ILE 63 - HG2 PRO 70 OK 37 98 - 37 - 7141=4, 7140/2.3=3...(22) QG2 VAL 66 - HB2 GLU 82 OK 28 76 - 37 - 8436/1.8=6, 8436=6...(10) QG2 VAL 66 - HB3 GLU 82 OK 28 76 - 37 - 8436/1.8=6, 8436=6...(10) QD1 LEU 84 - HB3 GLU 82 OK 25 97 - 25 - 7466/4.3=8, 7456/3.7=6...(5) QD1 LEU 84 - HB2 GLU 82 OK 25 97 - 25 - 7466/4.3=8, 7456/3.7=6...(5) QD1 LEU 114 - HG2 PRO 70 OK 21 63 - 33 - ~7958=4, ~7945=4...(14) HG LEU 111 - HG2 PRO 70 OK 20 100 - 20 - ~5019=3, ~4998=2...(8) QD2 LEU 111 - HG2 PRO 70 OK 17 85 - 19 - ~5019=3, ~4998=2...(10) HG LEU 111 - HB2 GLU 82 OK 15 98 - 15 - 7455/3.0=3, 7453/3.0=3...(4) HG LEU 111 - HB3 GLU 82 OK 15 98 - 15 - 7455/3.0=3, 7453/3.0=3...(4) QG2 ILE 63 - HB2 GLN 103 OK 14 71 - 20 - 8649/3.0=7, ~7136=3...(5) QG2 VAL 66 - HG2 PRO 70 OK 12 81 - 14 - 8436=2, 8509/2.3=2...(4) QD2 LEU 93 - HG2 PRO 70 OK 11 100 - 11 - ~8524=1, 3.8/8321=1, ~7253=1 QD2 LEU 93 - HB2 GLU 82 OK 11 98 - 11 - 7466/4.3=3, 7456/3.7=2...(4) QD2 LEU 93 - HB3 GLU 82 OK 11 98 - 11 - 7466/4.3=3, 7456/3.7=2...(4) QD2 LEU 111 - HB3 GLU 82 lone 8 80 - 10 - ~7453=2, ~7455=2...(5) QD2 LEU 111 - HB2 GLU 82 lone 8 80 - 10 - ~7453=2, ~7455=2...(5) QD1 LEU 114 - HB2 GLN 103 poor 8 40 - 20 - ~5088=2, ~5085=2...(11) QD1 LEU 91 - HG2 PRO 70 lone 7 99 - 7 - ~7257=1, ~7253=1 QD1 LEU 91 - HB2 GLU 82 lone 7 96 - 7 - 7466/4.3=1, 7455/3.0=1...(4) QD1 LEU 91 - HB3 GLU 82 lone 7 96 - 7 - 7466/4.3=1, 7455/3.0=1...(4) QD1 LEU 84 - HG2 PRO 70 lone 3 100 - 3 - QG2 VAL 66 - HB2 GLN 103 lone 3 53 - 6 - HG LEU 111 - HB2 GLN 103 lone 2 75 - 3 - QD2 LEU 93 - HB2 GLN 103 lone 2 75 - 2 - QD2 LEU 111 - HB2 GLN 103 lone 1 57 - 3 - QD1 LEU 91 - HB2 GLN 103 lone 1 72 - 2 - QD1 LEU 84 - HB2 GLN 103 lone 1 74 - 2 - QD1 LEU 114 - HB3 GLU 82 lone 1 59 - 1 - QD1 LEU 114 - HB2 GLU 82 lone 1 59 - 1 - Peak 7262 from cnoeabs.peaks (0.92, 3.61, 49.41 ppm; 3.56 A): 10 out of 11 assignments used, quality = 0.93: QG2 VAL 49 + HD2 PRO 70 OK 42 100 - 43 - 6906/1.8=9, ~7264=6...(12) QG2 VAL 115 + HD2 PRO 70 OK 35 100 - 35 - 5114=6, 7263/1.8=4...(15) QD1 LEU 117 + HD2 PRO 70 OK 29 96 - 31 - 6906/1.8=5, 8280/2.3=3...(15) QD1 LEU 41 + HD2 PRO 70 OK 24 97 - 25 - ~7264=3, 7263/1.8=3...(12) QD2 LEU 27 + HD2 PRO 70 OK 20 100 - 20 - 6532/1.8=7, ~7263=2...(6) QD1 LEU 55 + HD2 PRO 70 OK 19 93 - 20 - 6906/1.8=4, 4.6/7275=2...(8) QD1 ILE 63 + HD2 PRO 70 OK 18 83 - 22 - 7263/1.8=2, 7148/2.3=2...(8) QD1 LEU 27 + HD2 PRO 70 OK 18 100 - 18 - ~6532=5, 7263/1.8=3...(5) QG2 ILE 22 + HD2 PRO 70 OK 15 100 - 15 - ~6440=2, 7263/1.8=2...(6) HB2 GLN 42 + HD2 PRO 70 OK 12 100 - 12 - 6013=3, 4.0/1591=1...(5) QD1 LEU 126 - HD2 PRO 70 lone 4 95 - 4 - Peak 7263 from cnoeabs.peaks (0.92, 3.46, 49.41 ppm; 3.62 A): 10 out of 13 assignments used, quality = 0.93: QG2 VAL 49 + HD3 PRO 70 OK 45 100 - 45 - 6906=12, 7262/1.8=7...(12) QD1 LEU 117 + HD3 PRO 70 OK 31 99 - 31 - 6906=7, 7262/1.8=4...(14) QG2 VAL 115 + HD3 PRO 70 OK 29 98 - 29 - 7262/1.8=5, 3.2/3801=4...(12) QD2 LEU 27 + HD3 PRO 70 OK 23 99 - 24 - 6532=9, 7262/1.8=3...(6) QD1 LEU 41 + HD3 PRO 70 OK 22 89 - 24 - 7262/1.8=4, ~7264=3...(10) QD1 LEU 27 + HD3 PRO 70 OK 19 97 - 20 - 2.1/6532=7, 7262/1.8=3...(5) QD1 LEU 55 + HD3 PRO 70 OK 18 83 - 21 - 6906=5, 4.6/7278=3...(8) QG2 ILE 22 + HD3 PRO 70 OK 16 98 - 17 - 3.0/6440=3, 7262/1.8=2...(7) QD1 ILE 63 + HD3 PRO 70 OK 14 68 - 21 - 7262/1.8=3, 2.1/8326=2...(8) QD2 LEU 41 + HD3 PRO 70 OK 14 68 - 20 - 4.1/6024=3, 2.1/8326=2...(8) HB2 GLN 42 - HD3 PRO 70 lone 9 100 - 9 - 6013/1.8=3, ~6015=1 QD1 LEU 126 - HD3 PRO 70 lone 4 99 - 4 - QD1 ILE 124 - HD3 PRO 70 lone 1 63 - 2 - Peak 7264 from cnoeabs.peaks (0.89, 2.04, 28.63 ppm; 4.07 A): 4 out of 8 assignments used, quality = 0.72: QG1 VAL 49 + HG3 PRO 70 OK 44 100 - 45 - 7254/2.3=7, 8495/2.3=7...(13) QD2 LEU 41 + HG3 PRO 70 OK 24 100 - 24 - 7254/2.3=4, 6753/2.3=4...(9) QD1 LEU 117 + HG3 PRO 70 OK 23 78 - 30 - 7254/2.3=5, ~5168=3...(14) HG13 ILE 80 + HG3 PRO 70 OK 15 87 - 17 - 7254/2.3=3, 4091/2.3=2...(10) QD2 LEU 59 - HG3 PRO 70 lone 4 100 - 4 - 4.6/7074=1 QD2 LEU 126 - HG3 PRO 70 lone 4 92 - 4 - QD1 ILE 124 - HG3 PRO 70 lone 3 100 - 3 - QD1 LEU 126 - HG3 PRO 70 lone 3 81 - 3 - Peak 7265 from cnoeabs.peaks (4.58, 3.61, 49.41 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.94: HA GLU 69 + HD2 PRO 70 OK 90 100 - 91 - 3.8=78, 7266/1.8=20...(13) HA ASP 47 + HD2 PRO 70 OK 42 100 - 42 - ~8328=10, 7266/1.8=9...(10) HA TRP 20 - HD2 PRO 70 OK 18 96 - 19 - 7266/1.8=4, 3.0/7274=4...(6) HA LEU 45 - HD2 PRO 70 lone 9 97 - 10 - ~188=2, 7266/1.8=2, 3772/4.8=1 HA ASN 99 - HD2 PRO 70 lone 3 65 - 5 - HB THR 121 - HD2 PRO 70 lone 2 76 - 2 - Peak 7266 from cnoeabs.peaks (4.58, 3.46, 49.41 ppm; 3.33 A): 3 out of 7 assignments used, quality = 0.93: HA GLU 69 + HD3 PRO 70 OK 87 100 - 87 - 3.8=69, 7265/1.8=18...(13) HA ASP 47 + HD3 PRO 70 OK 39 100 - 39 - ~8328=9, 7265/1.8=8...(10) HA TRP 20 + HD3 PRO 70 OK 18 87 - 21 - 3.0/7277=4, 7265/1.8=4...(7) HA LEU 45 - HD3 PRO 70 lone 8 90 - 9 - 3.0/188=3, 7265/1.8=2 HA ASN 99 - HD3 PRO 70 lone 3 81 - 4 - HB THR 121 - HD3 PRO 70 lone 2 89 - 2 - HA THR 95 - HD3 PRO 70 lone 1 60 - 1 - Peak 7267 from cnoeabs.peaks (8.11, 2.10, 33.65 ppm; 4.83 A): 2 out of 6 assignments used, quality = 0.93: HD22 ASN 79 + HB3 PRO 70 OK 87 99 - 88 - 7272/2.3=22, 1.7/7268=16...(20) H GLY 39 + HB3 PRO 70 OK 44 89 - 50 - 7272/2.3=11, 2.9/3822=6...(15) H LEU 55 - HB3 PRO 70 OK 24 99 - 25 - 7275/3.0=6, 7272/2.3=5...(5) H GLN 105 - HB3 PRO 70 OK 20 71 - 28 - ~8320=7, 2.9/8319=6...(9) H THR 33 - HB3 PRO 70 OK 12 96 - 12 - 7272/2.3=2, 4.6/7268=2...(5) H LEU 24 - HB3 PRO 70 lone 4 71 - 5 - Peak 7268 from cnoeabs.peaks (7.40, 2.10, 33.65 ppm; 4.34 A): 3 out of 6 assignments used, quality = 0.97: HD21 ASN 79 + HB3 PRO 70 OK 84 100 - 84 - 7273/2.3=16, 1.7/7267=15...(25) H GLU 75 + HB3 PRO 70 OK 70 99 - 71 - 8336/3.9=23, 7304=16...(16) H SER 72 + HB3 PRO 70 OK 48 92 - 52 - 334/3.9=25, 7269/1.8=8...(9) HE21 GLN 105 - HB3 PRO 70 OK 18 76 - 23 - 334/3.9=5, 7269/1.8=3...(9) H LYS 32 - HB3 PRO 70 OK 15 99 - 15 - 1474/3.9=3, 7273/2.3=2...(6) H PHE 96 - HB3 PRO 70 lone 6 97 - 7 - Peak 7269 from cnoeabs.peaks (7.42, 2.24, 33.65 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.91: HD21 ASN 79 + HB2 PRO 70 OK 68 92 - 74 - ~7272=11, 7380/2.3=11...(25) H SER 72 + HB2 PRO 70 OK 43 100 - 43 - 334/3.9=22, 335/2.3=7...(7) H GLU 75 + HB2 PRO 70 OK 38 71 - 54 - 8336/3.9=13, 7304/1.8=9...(15) HE21 GLN 105 + HB2 PRO 70 OK 18 99 - 17 - 334/3.9=5, 5.9/8320=3...(6) H LYS 32 - HB2 PRO 70 poor 10 98 - 10 - 1474/3.9=2, 7268/1.8=2 H PHE 96 - HB2 PRO 70 lone 3 63 - 5 - Peak 7270 from cnoeabs.peaks (7.41, 2.35, 28.63 ppm; 4.42 A): 3 out of 24 assignments used, quality = 0.95: HD21 ASN 79 + HG2 PRO 70 OK 86 100 - 86 - 7273/1.8=17, ~7272=16...(25) H GLU 75 + HG2 PRO 70 OK 48 95 - 50 - 7304/2.3=15, 7305/2.3=11...(10) H SER 72 + HG2 PRO 70 OK 33 97 - 34 - 7269/2.3=9, 7268/2.3=7...(6) HD21 ASN 79 - HB3 GLU 82 OK 30 98 - 31 - 4.4/6122=8, 659/4.3=4...(10) HD21 ASN 79 - HB2 GLU 82 OK 30 98 - 31 - 4.4/6122=8, 659/4.3=4...(10) HE21 GLN 105 - HG2 PRO 70 OK 15 87 - 17 - 7269/2.3=4, 7287/2.3=3...(6) H LYS 32 - HG2 PRO 70 OK 12 100 - 12 - 7268/2.3=2, 7269/2.3=2...(4) H PHE 96 - HB2 GLU 82 poor 10 86 - 11 - 472/3.0=2, 1250/3.0=2 H PHE 96 - HB3 GLU 82 poor 10 86 - 11 - 472/3.0=2, 1250/3.0=2 H PHE 96 - HG2 PRO 70 lone 6 90 - 7 - H GLU 75 - HB3 GLU 82 lone 5 91 - 6 - H GLU 75 - HB2 GLU 82 lone 5 91 - 6 - HD21 ASN 79 - HB2 GLN 103 lone 4 75 - 6 - 4.4/7773=1 H LYS 32 - HB3 GLU 82 lone 3 98 - 3 - H LYS 32 - HB2 GLU 82 lone 3 98 - 3 - H SER 72 - HB2 GLU 82 lone 3 94 - 3 - H SER 72 - HB3 GLU 82 lone 3 94 - 3 - HE21 GLN 105 - HB2 GLN 103 lone 2 59 - 4 - 5.9/8321=1 H PHE 96 - HB2 GLN 103 lone 2 62 - 4 - 7642/3.0=1 HE21 GLN 105 - HB3 GLU 82 lone 2 82 - 2 - HE21 GLN 105 - HB2 GLU 82 lone 2 82 - 2 - H SER 72 - HB2 GLN 103 lone 2 70 - 2 - H GLU 75 - HB2 GLN 103 lone 1 66 - 2 - H LYS 32 - HB2 GLN 103 lone 1 75 - 2 - Peak 7271 from cnoeabs.peaks (8.11, 2.35, 28.63 ppm; 4.55 A): 3 out of 24 assignments used, quality = 0.95: HD22 ASN 79 + HG2 PRO 70 OK 86 100 - 86 - 7272/1.8=22, 7267/2.3=15...(22) H GLY 39 + HG2 PRO 70 OK 44 96 - 46 - 7272/1.8=12, 7267/2.3=8...(14) HD22 ASN 79 + HB2 GLU 82 OK 32 98 - 32 - 4.4/6122=9, 1.7/7270=4...(10) HD22 ASN 79 - HB3 GLU 82 OK 32 98 - 32 - 4.4/6122=9, 1.7/7270=4...(10) H LEU 55 - HG2 PRO 70 OK 27 95 - 28 - 7272/1.8=6, 7275/2.3=5...(9) H GLN 105 - HB2 GLN 103 OK 24 55 - 44 - 520/4.4=20, 7781/1.8=14...(6) H GLN 105 - HG2 PRO 70 OK 21 83 - 25 - ~8320=5, 7272/1.8=4...(7) H LEU 55 - HB3 GLU 82 OK 13 91 - 14 - 245/1.8=2, 245=2...(5) H LEU 55 - HB2 GLU 82 OK 13 91 - 14 - 245/1.8=2, 245=2...(5) H THR 33 - HG2 PRO 70 OK 11 99 - 11 - 7272/1.8=2, 7267/2.3=2 HD22 ASN 79 - HB2 GLN 103 lone 7 75 - 10 - 7765/4.0=2, 1507/4.4=1 H THR 33 - HB2 GLN 103 lone 7 72 - 9 - 7765/4.0=3, 1507/4.4=3, ~7771=1 H GLY 39 - HB2 GLU 82 lone 6 92 - 7 - H GLY 39 - HB3 GLU 82 lone 6 92 - 7 - H GLY 39 - HB2 GLN 103 lone 6 67 - 8 - 1507/4.4=3, 7765/4.0=3 H THR 33 - HB3 GLU 82 lone 4 96 - 4 - H THR 33 - HB2 GLU 82 lone 4 96 - 4 - H LEU 55 - HB2 GLN 103 lone 4 66 - 5 - ~7772=1, 7765/4.0=1 H LEU 24 - HG2 PRO 70 lone 3 83 - 4 - H GLN 105 - HB2 GLU 82 lone 2 78 - 3 - H GLN 105 - HB3 GLU 82 lone 2 78 - 3 - H LEU 24 - HB3 GLU 82 lone 2 78 - 3 - H LEU 24 - HB2 GLU 82 lone 2 78 - 3 - H LEU 24 - HB2 GLN 103 lone 2 55 - 4 - 7765/4.0=1, 1507/4.4=1 Peak 7272 from cnoeabs.peaks (8.11, 2.04, 28.63 ppm; 3.79 A): 4 out of 6 assignments used, quality = 0.86: HD22 ASN 79 + HG3 PRO 70 OK 69 100 - 69 - 1.7/7273=14, 7267/2.3=10...(20) H GLY 39 + HG3 PRO 70 OK 36 96 - 38 - 7267/2.3=5, 2.9/3836=4...(16) H LEU 55 + HG3 PRO 70 OK 17 95 - 18 - 245/1.8=4, 7275/2.3=3...(6) H GLN 105 + HG3 PRO 70 OK 13 83 - 16 - ~8320=4, ~8319=2...(5) H THR 33 - HG3 PRO 70 lone 7 99 - 7 - 7267/2.3=1 H LEU 24 - HG3 PRO 70 lone 2 83 - 2 - Peak 7273 from cnoeabs.peaks (7.40, 2.04, 28.63 ppm; 4.14 A): 3 out of 7 assignments used, quality = 0.93: HD21 ASN 79 + HG3 PRO 70 OK 81 99 - 82 - 1.7/7272=20, 7380=17...(23) H GLU 75 + HG3 PRO 70 OK 49 100 - 49 - 7304/2.3=14, 7305/2.3=10...(11) H SER 72 + HG3 PRO 70 OK 28 81 - 35 - 4.6/5700=16, 7268/2.3=6...(6) H LYS 32 - HG3 PRO 70 poor 9 93 - 10 - 7268/2.3=2, 7270/1.8=1...(5) HE21 GLN 105 - HG3 PRO 70 poor 8 60 - 14 - 7268/2.3=2, 7287/2.3=2...(7) H PHE 96 - HG3 PRO 70 lone 5 100 - 5 - HE21 GLN 16 - HG3 PRO 70 lone 2 68 - 2 - Peak 7274 from cnoeabs.peaks (8.26, 3.61, 49.41 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.94: H GLU 69 + HD2 PRO 70 OK 94 100 - 94 - 4.8=68, 7243/1.8=26...(16) H VAL 49 - HD2 PRO 70 OK 30 96 - 31 - 7277/1.8=6, 4.0/7262=5...(10) H TRP 20 - HD2 PRO 70 OK 30 93 - 32 - 7277/1.8=8, 832/3.8=6...(8) Peak 7275 from cnoeabs.peaks (8.12, 3.61, 49.41 ppm; 5.09 A): 3 out of 4 assignments used, quality = 0.90: HD22 ASN 79 + HD2 PRO 70 OK 78 87 - 90 - 7278/1.8=25, 7272/2.3=18...(22) H GLY 39 + HD2 PRO 70 OK 32 60 - 53 - 7272/2.3=9, 7267/3.0=8...(17) H LEU 55 + HD2 PRO 70 OK 30 100 - 30 - 7278/1.8=10, 245/2.3=5...(6) H THR 33 - HD2 PRO 70 poor 8 73 - 11 - 7267/3.0=2, 4.6/7276=2 Peak 7276 from cnoeabs.peaks (7.42, 3.61, 49.41 ppm; 5.20 A): 3 out of 6 assignments used, quality = 0.96: HD21 ASN 79 + HD2 PRO 70 OK 86 93 - 92 - 1.7/7275=22, ~7278=22...(26) H GLU 75 + HD2 PRO 70 OK 45 73 - 61 - 7304/3.0=14, 7305/3.0=10...(17) H SER 72 + HD2 PRO 70 OK 43 100 - 44 - 7269/3.0=10, 7287=9...(8) HE21 GLN 105 - HD2 PRO 70 OK 23 99 - 24 - 7269/3.0=4, 7287=4...(9) H LYS 32 - HD2 PRO 70 OK 17 99 - 17 - 7269/3.0=2, 7268/3.0=2...(8) H PHE 96 - HD2 PRO 70 lone 5 65 - 8 - Peak 7277 from cnoeabs.peaks (8.26, 3.46, 49.41 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.95: H GLU 69 + HD3 PRO 70 OK 95 100 - 95 - 4.8=71, 7244/1.8=25...(15) H TRP 20 - HD3 PRO 70 OK 35 93 - 37 - 7274/1.8=8, 832/3.8=6...(11) H VAL 49 - HD3 PRO 70 OK 27 96 - 28 - 7274/1.8=8, 4.0/6906=7...(8) Peak 7278 from cnoeabs.peaks (8.13, 3.46, 49.41 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.62: HD22 ASN 79 + HD3 PRO 70 OK 51 60 - 85 - 7275/1.8=20, ~7273=16...(21) H LEU 55 + HD3 PRO 70 OK 21 92 - 23 - 7275/1.8=8, 245/2.3=4...(6) H ASP 123 - HD3 PRO 70 lone 2 60 - 3 - Peak 7281 from cnoeabs.peaks (8.35, 4.14, 66.71 ppm; 4.49 A): 2 out of 5 assignments used, quality = 0.60: H SER 74 + HB3 SER 72 OK 54 99 - 55 - 7282/1.8=24, 346/4.5=21...(9) H ILE 80 + HB3 SER 72 OK 13 83 - 16 - 7282/1.8=7, 1476/4.5=2...(5) H VAL 115 - HB3 SER 72 lone 7 93 - 7 - 7282/1.8=4, 1476/4.5=1 H THR 62 - HB3 SER 72 lone 4 68 - 6 - 1476/4.5=2, 4.0/7109=1 H GLY 125 - HB3 SER 72 lone 4 57 - 7 - 346/4.5=2 Peak 7282 from cnoeabs.peaks (8.36, 3.77, 66.71 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.50: H SER 74 + HB2 SER 72 OK 43 85 - 51 - 7281/1.8=25, 346/4.5=19...(6) H ILE 80 + HB2 SER 72 OK 12 98 - 12 - 7281/1.8=6, 1476/4.5=2 H VAL 115 - HB2 SER 72 lone 6 100 - 6 - 7281/1.8=3, 1476/4.5=1 Peak 7286 from cnoeabs.peaks (1.77, 3.77, 66.71 ppm; 4.79 A): 3 out of 15 assignments used, quality = 0.45: HG3 PRO 30 + HB2 SER 72 OK 24 97 - 25 - 2.3/2372=4, 3.8/2365=3...(9) HB2 GLU 75 + HB2 SER 72 OK 20 100 - 20 - 4.0/3898=6, 3954/3.9=5...(4) HB2 PRO 37 + HB2 SER 72 OK 11 96 - 11 - 2.3/3901=2, ~3897=1...(4) HG3 ARG 71 - HB2 SER 72 poor 9 87 - 10 - 339/3.9=7 HB2 LYS 32 - HB2 SER 72 lone 5 96 - 6 - 2495/3.9=2, 4.0/3898=2 HB2 LEU 117 - HB2 SER 72 lone 3 100 - 3 - HG LEU 117 - HB2 SER 72 lone 3 96 - 3 - HG2 GLN 42 - HB2 SER 72 lone 2 92 - 2 - HB2 LEU 45 - HB2 SER 72 lone 2 81 - 2 - HD3 LYS 109 - HB2 SER 72 lone 2 98 - 2 - HD2 LYS 109 - HB2 SER 72 lone 2 96 - 2 - HB3 GLU 56 - HB2 SER 72 lone 2 87 - 2 - HB VAL 66 - HB2 SER 72 lone 1 65 - 2 - HB3 LYS 46 - HB2 SER 72 lone 1 76 - 2 - HB2 PRO 60 - HB2 SER 72 lone 1 60 - 2 - Peak 7290 from cnoeabs.peaks (1.23, 1.84, 35.91 ppm; 4.50 A): 3 out of 21 assignments used, quality = 0.92: HG LEU 77 + HG3 GLU 73 OK 67 100 - 68 - 2.1/8740=11, 2.1/8741=11...(17) HG LEU 77 + HG2 GLU 73 OK 67 100 - 67 - 2.1/8740=11, 2.1/8741=11...(17) HG LEU 77 + HG2 GLU 75 OK 23 65 - 36 - 4017/1.8=7, 7344=7...(9) HB3 LEU 24 - HG3 GLU 73 OK 19 97 - 20 - 3.1/8741=4, 1.8/8479=3...(6) HB3 LEU 24 - HG2 GLU 73 OK 19 97 - 20 - 3.1/8741=4, 1.8/8479=3...(6) HG2 LYS 32 - HG2 GLU 75 OK 11 58 - 19 - 2517/3.0=4, 2515/5.1=2...(7) HB3 LEU 24 - HG2 GLU 75 poor 6 62 - 10 - 1.8/8479=1, 2212/3.0=1...(4) HG13 ILE 124 - HG3 GLU 73 lone 6 97 - 6 - 5939/4.9=3 HG13 ILE 124 - HG2 GLU 73 lone 6 97 - 6 - 5939/4.9=3 HB3 LEU 111 - HG2 GLU 75 lone 5 56 - 9 - 5005/3.6=1, ~3973=1, ~3961=1 QG2 VAL 18 - HG3 GLU 73 lone 4 76 - 6 - QG2 VAL 18 - HG2 GLU 73 lone 4 76 - 6 - HB3 LEU 111 - HG3 GLU 73 lone 4 92 - 4 - HB3 LEU 111 - HG2 GLU 73 lone 4 92 - 4 - HG2 LYS 32 - HG2 GLU 73 lone 4 94 - 4 - HG2 LYS 32 - HG3 GLU 73 lone 4 95 - 4 - QG2 VAL 18 - HG2 GLU 75 lone 2 43 - 5 - 8398/3.0=1 QG2 THR 19 - HG3 GLU 73 lone 2 60 - 3 - QG2 THR 19 - HG2 GLU 73 lone 2 60 - 3 - HG13 ILE 124 - HG2 GLU 75 lone 1 61 - 2 - QG2 THR 19 - HG2 GLU 75 lone 0 33 - 1 - Peak 7291 from cnoeabs.peaks (6.88, 3.74, 59.68 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.60: QE TYR 102 + HA GLU 73 OK 54 99 - 55 - 4749=26, 4756/3.0=13...(8) HZ3 TRP 20 + HA GLU 73 OK 12 87 - 14 - 2.5/6079=4, 7292/3.0=2 HE22 GLN 105 - HA GLU 73 lone 3 65 - 4 - H LYS 46 - HA GLU 73 lone 2 78 - 3 - HE22 GLN 103 - HA GLU 73 lone 2 81 - 2 - Peak 7292 from cnoeabs.peaks (6.87, 2.19, 29.69 ppm; 4.87 A): 4 out of 10 assignments used, quality = 0.81: QE TYR 102 + HB2 GLU 73 OK 60 100 - 61 - 7291/3.0=27, 4756=18...(8) QE TYR 102 + HG12 ILE 80 OK 38 64 - 60 - 4756=18, ~7397=14...(10) H LYS 46 + HG12 ILE 80 OK 14 40 - 34 - 7399/2.1=10, ~8585=7...(8) HZ3 TRP 20 + HB2 GLU 73 OK 11 83 - 14 - 7291/3.0=6, ~6079=3...(4) HZ3 TRP 20 - HG12 ILE 80 poor 6 47 - 12 - 7399/2.1=5, 4645/1.8=4, ~4660=2 HE22 GLN 105 - HB2 GLU 73 lone 3 71 - 5 - 7291/3.0=1 H LYS 46 - HB2 GLU 73 lone 3 73 - 4 - 7291/3.0=1 HE22 GLN 103 - HG12 ILE 80 lone 3 42 - 6 - 7399/2.1=4 HE22 GLN 103 - HB2 GLU 73 lone 2 76 - 3 - HE22 GLN 105 - HG12 ILE 80 lone 0 39 - 1 - Peak 7293 from cnoeabs.peaks (6.86, 1.84, 35.91 ppm; 4.50 A): 3 out of 9 assignments used, quality = 0.84: QE TYR 102 + HG3 GLU 73 OK 55 100 - 55 - 7291/4.1=18, 7752=14...(10) QE TYR 102 + HG2 GLU 73 OK 54 100 - 55 - 7291/4.1=18, 7752=14...(10) QE TYR 102 + HG2 GLU 75 OK 21 65 - 33 - 4758=7, 4761/1.8=6...(9) HZ3 TRP 20 - HG2 GLU 75 poor 9 33 - 27 - ~4664=4, ~8553=4...(9) HE22 GLN 105 - HG2 GLU 75 poor 6 54 - 10 - ~7285=3, 1.7/770=2, ~7284=2 HZ3 TRP 20 - HG3 GLU 73 lone 5 60 - 9 - 7291/4.1=4, 7292/2.9=2 HZ3 TRP 20 - HG2 GLU 73 lone 5 60 - 9 - 7291/4.1=4, 7292/2.9=2 HE22 GLN 105 - HG2 GLU 73 lone 4 90 - 4 - HE22 GLN 105 - HG3 GLU 73 lone 4 90 - 4 - Peak 7295 from cnoeabs.peaks (7.56, 3.78, 62.01 ppm; 4.96 A): 4 out of 8 assignments used, quality = 0.82: H CYS 76 + HB3 SER 74 OK 48 100 - 48 - 1478/4.6=21, 1646/3.0=16...(6) H CYS 76 + HB2 SER 74 OK 48 100 - 48 - 1478/4.6=21, 1646/3.0=16...(6) H SER 113 + HB3 SER 74 OK 18 89 - 20 - 1478/4.6=7, 1646/3.0=7 H SER 113 + HB2 SER 74 OK 18 89 - 20 - 1478/4.6=7, 1646/3.0=7 HE3 TRP 20 - HB3 SER 74 lone 5 96 - 6 - 1478/4.6=3 HE3 TRP 20 - HB2 SER 74 lone 5 96 - 6 - 1478/4.6=3 H CYS 52 - HB3 SER 74 lone 4 97 - 4 - 1478/4.6=3 H CYS 52 - HB2 SER 74 lone 4 97 - 4 - 1478/4.6=3 Peak 7296 from cnoeabs.peaks (8.07, 3.78, 62.01 ppm; 5.05 A): 6 out of 12 assignments used, quality = 0.74: H SER 78 + HB3 SER 74 OK 36 100 - 36 - 1658/3.0=16, 4.3/7300=11...(6) H SER 78 + HB2 SER 74 OK 36 100 - 36 - 1658/3.0=16, 4.3/7300=11...(6) H GLN 42 + HB3 SER 74 OK 11 83 - 13 - 6091/3.0=3, 1592/1.8=2...(4) H GLN 42 + HB2 SER 74 OK 11 83 - 13 - 6091/3.0=3, 1592/1.8=2...(4) H GLY 39 + HB3 SER 74 OK 11 78 - 14 - 6091/3.0=4 H GLY 39 + HB2 SER 74 OK 10 78 - 13 - 6091/3.0=4 H LEU 24 - HB3 SER 74 lone 8 93 - 9 - 6091/3.0=4 H LEU 24 - HB2 SER 74 lone 8 93 - 9 - 6091/3.0=4 H THR 33 - HB3 SER 74 poor 7 65 - 11 - 6091/3.0=3, 128/4.6=2...(4) H THR 33 - HB2 SER 74 poor 7 65 - 11 - 6091/3.0=3, 128/4.6=2...(4) H GLN 105 - HB3 SER 74 lone 5 93 - 5 - 6091/3.0=2 H GLN 105 - HB2 SER 74 lone 5 93 - 5 - 6091/3.0=2 Peak 7298 from cnoeabs.peaks (0.69, 3.95, 61.57 ppm; 3.89 A): 4 out of 5 assignments used, quality = 0.85: QD1 LEU 77 + HA SER 74 OK 71 100 - 71 - 7353=21, 3.1/6089=17...(13) HG3 GLU 75 + HA SER 74 OK 31 87 - 35 - 3972/3.6=10, 7297/2.9=5...(10) QG1 VAL 66 + HA SER 74 OK 16 97 - 16 - 7203/3.6=5, 7297/2.9=2...(5) QD2 LEU 54 + HA SER 74 OK 10 78 - 13 - 1133/3.6=3, 7353=3...(4) QD2 LEU 24 - HA SER 74 lone 8 78 - 10 - 4.8/6091=2, 3.1/8510=2 Peak 7299 from cnoeabs.peaks (1.80, 3.78, 62.01 ppm; 4.81 A): 6 out of 24 assignments used, quality = 0.85: HG2 GLU 75 + HB3 SER 74 OK 36 97 - 37 - 1132/4.6=9, 7302/3.0=7...(8) HG2 GLU 75 + HB2 SER 74 OK 36 97 - 37 - 1132/4.6=9, 7302/3.0=7...(8) HB2 GLU 75 + HB3 SER 74 OK 29 65 - 45 - 4.0/355=12, 4.3/7295=8...(9) HB2 GLU 75 + HB2 SER 74 OK 29 65 - 45 - 4.0/355=12, 4.3/7295=8...(9) HB2 LYS 32 + HB3 SER 74 OK 14 90 - 16 - 7302/3.0=5, 2495/4.6=3...(6) HB2 LYS 32 + HB2 SER 74 OK 14 90 - 16 - 7302/3.0=5, 2495/4.6=3...(6) HB3 ARG 57 - HB3 SER 74 lone 8 97 - 8 - 1132/4.6=3, 7302/3.0=2 HB3 ARG 57 - HB2 SER 74 lone 8 97 - 8 - 1132/4.6=3, 7302/3.0=2 HB2 PRO 37 - HB3 SER 74 lone 7 90 - 8 - 7302/3.0=3, 1132/4.6=2 HB2 PRO 37 - HB2 SER 74 lone 7 90 - 8 - 7302/3.0=3, 1132/4.6=2 HB2 PRO 60 - HB2 SER 74 lone 5 100 - 5 - 1132/4.6=1, 7302/3.0=1 HB2 PRO 60 - HB3 SER 74 lone 5 100 - 5 - 1132/4.6=1, 7302/3.0=1 HB3 GLN 105 - HB3 SER 74 lone 5 90 - 5 - 1132/4.6=1, 7302/3.0=1 HB3 GLN 105 - HB2 SER 74 lone 5 90 - 5 - 1132/4.6=1, 7302/3.0=1 HG13 ILE 63 - HB3 SER 74 lone 4 87 - 4 - 1132/4.6=1 HG13 ILE 63 - HB2 SER 74 lone 4 87 - 4 - 1132/4.6=1 HB3 GLU 56 - HB3 SER 74 lone 3 97 - 3 - 7302/3.0=1 HB3 GLU 56 - HB2 SER 74 lone 3 97 - 3 - 7302/3.0=1 HB3 ARG 92 - HB2 SER 74 lone 3 100 - 3 - HB3 ARG 92 - HB3 SER 74 lone 3 100 - 3 - HB2 LEU 117 - HB3 SER 74 lone 2 60 - 4 - 1130/4.6=1 HB2 LEU 117 - HB2 SER 74 lone 2 60 - 4 - 1130/4.6=1 HG3 ARG 53 - HB3 SER 74 lone 2 71 - 3 - HG3 ARG 53 - HB2 SER 74 lone 2 71 - 3 - Peak 7300 from cnoeabs.peaks (1.69, 3.78, 62.01 ppm; 5.19 A): 2 out of 6 assignments used, quality = 0.72: HB3 LEU 77 + HB3 SER 74 OK 47 68 - 70 - ~6087=20, 6089/3.0=13...(10) HB3 LEU 77 + HB2 SER 74 OK 47 68 - 70 - ~6087=20, 6089/3.0=13...(10) HG3 GLN 42 - HB3 SER 74 lone 5 100 - 5 - 5.2/7296=2 HG3 GLN 42 - HB2 SER 74 lone 5 100 - 5 - 5.2/7296=2 HB3 LEU 41 - HB3 SER 74 lone 4 60 - 7 - 4.2/7296=2 HB3 LEU 41 - HB2 SER 74 lone 4 60 - 7 - 4.2/7296=2 Peak 7301 from cnoeabs.peaks (0.67, 3.78, 62.01 ppm; 4.52 A): 6 out of 12 assignments used, quality = 0.92: QD1 LEU 77 + HB3 SER 74 OK 60 92 - 65 - 7298/3.0=18, ~6089=11...(11) QD1 LEU 77 + HB2 SER 74 OK 60 92 - 65 - 7298/3.0=18, ~6089=11...(11) HG3 GLU 75 + HB3 SER 74 OK 22 60 - 38 - 5.1/355=8, 7298/3.0=8...(8) HG3 GLU 75 + HB2 SER 74 OK 22 60 - 37 - 5.1/355=8, 7298/3.0=8...(8) QG1 VAL 66 + HB3 SER 74 OK 10 78 - 13 - 7203/4.6=5, 7298/3.0=4 QG1 VAL 66 + HB2 SER 74 OK 10 78 - 13 - 7203/4.6=5, 7298/3.0=4 QD2 LEU 24 - HB3 SER 74 lone 7 97 - 7 - 7298/3.0=2, ~8510=1...(4) QD2 LEU 24 - HB2 SER 74 lone 7 97 - 7 - 7298/3.0=2, ~8510=1...(4) QD1 LEU 21 - HB3 SER 74 lone 1 83 - 1 - QD1 LEU 21 - HB2 SER 74 lone 1 83 - 1 - QD1 LEU 45 - HB3 SER 74 lone 1 60 - 1 - QD1 LEU 45 - HB2 SER 74 lone 1 60 - 1 - Peak 7302 from cnoeabs.peaks (1.80, 3.95, 61.57 ppm; 5.01 A): 5 out of 11 assignments used, quality = 0.80: HB2 GLU 75 + HA SER 74 OK 41 81 - 51 - 4.3/1646=13, 1130/3.6=13...(12) HG2 GLU 75 + HA SER 74 OK 36 89 - 40 - 1132/3.6=11, 1.8/7298=11...(8) HB2 LYS 32 + HA SER 74 OK 27 97 - 28 - 3.0/6087=5, 2495/3.6=5...(8) HB2 PRO 37 + HA SER 74 OK 18 97 - 19 - 3.9/6086=5, 1130/3.6=3...(8) HB3 ARG 57 + HA SER 74 OK 11 90 - 12 - 1132/3.6=4, 3952/4.7=3...(4) HB2 PRO 60 - HA SER 74 lone 7 99 - 7 - 1132/3.6=2, 3952/4.7=1 HB3 GLN 105 - HA SER 74 lone 6 78 - 8 - 4.0/6091=2, 1132/3.6=1 HB3 GLU 56 - HA SER 74 lone 6 100 - 6 - ~8299=1, 1132/3.6=1 HB2 LEU 117 - HA SER 74 lone 5 76 - 6 - 1130/3.6=2, 3950/4.7=1 HG13 ILE 63 - HA SER 74 lone 5 73 - 6 - 1132/3.6=1 HB3 ARG 92 - HA SER 74 lone 3 97 - 3 - Peak 7308 from cnoeabs.peaks (3.77, 3.58, 59.35 ppm; 4.52 A): 4 out of 12 assignments used, quality = 0.93: HB3 SER 74 + HA GLU 75 OK 59 97 - 61 - 355/2.9=13, 3945/4.7=13...(13) HB2 SER 74 + HA GLU 75 OK 58 96 - 61 - 355/2.9=13, 3945/4.7=13...(13) HA GLU 38 + HA GLU 75 OK 39 96 - 41 - 3.0/6092=7, 6707/3.0=5...(13) HB2 SER 72 + HA GLU 75 OK 35 99 - 36 - 3.9/7287=7, 7286/3.0=7...(8) HD2 PRO 30 - HA GLU 75 OK 25 100 - 25 - ~7304=4, 2.3/3950=3...(8) HA LEU 54 - HA GLU 75 OK 18 76 - 23 - 4.0/3953=4, 1643/2.9=3...(9) HA GLU 73 - HA GLU 75 OK 17 65 - 27 - 6079/3.6=11, 1643/2.9=7...(6) HA CYS 87 - HA GLU 75 lone 9 95 - 9 - 1643/2.9=1, 3.6/6098=1 HB3 SER 13 - HA GLU 75 lone 5 99 - 5 - HB3 SER 35 - HA GLU 75 lone 3 96 - 3 - HB2 SER 90 - HA GLU 75 lone 3 60 - 5 - HA2 GLY 61 - HA GLU 75 lone 1 73 - 2 - Peak 7309 from cnoeabs.peaks (2.81, 3.58, 59.35 ppm; 5.31 A): 6 out of 9 assignments used, quality = 0.95: HB3 TYR 67 + HA GLU 75 OK 56 71 - 79 - 2.6/8329=24, 4.5/4693=22...(18) HB2 TYR 67 + HA GLU 75 OK 56 71 - 79 - 2.6/8329=24, 4.5/4693=22...(18) HB2 CYS 76 + HA GLU 75 OK 40 100 - 40 - 1136/3.6=18, 4.7/6092=8...(6) HB2 ASN 79 + HA GLU 75 OK 36 60 - 60 - 3.9/6098=15, 1.8/7373=10...(17) HB3 PHE 107 + HA GLU 75 OK 18 57 - 32 - 2.4/8329=11, ~8332=5...(10) HB2 ASN 99 + HA GLU 75 OK 14 65 - 21 - 3.5/6098=6, ~7679=3...(7) HB2 ASP 36 - HA GLU 75 lone 4 65 - 6 - 7312/3.0=1 HB2 ASN 108 - HA GLU 75 lone 4 83 - 5 - 3.0/6096=1 HB2 ASP 97 - HA GLU 75 lone 1 76 - 2 - Peak 7310 from cnoeabs.peaks (2.08, 3.58, 59.35 ppm; 5.17 A): 6 out of 15 assignments used, quality = 0.94: HB3 PRO 70 + HA GLU 75 OK 52 68 - 76 - 7315/3.0=10, ~7305=10...(22) HB2 ARG 57 + HA GLU 75 OK 41 99 - 41 - 1.8/3952=5, 3.0/6096=5...(16) HB2 LEU 114 + HA GLU 75 OK 38 100 - 38 - 3.0/6094=8, 3.1/3953=4...(15) HB3 GLU 38 + HA GLU 75 OK 33 87 - 38 - 3.8/6092=8, 3.0/7308=6...(13) HG3 PRO 37 + HA GLU 75 OK 29 63 - 47 - 3.8/6096=6, 2.3/3950=6...(17) HB2 GLU 15 + HA GLU 75 OK 26 98 - 27 - 7315/3.0=4, ~6321=3...(10) HB2 LEU 101 - HA GLU 75 OK 20 78 - 25 - 7315/3.0=4, 1.8/3951=4...(9) HB2 GLN 105 - HA GLU 75 OK 19 100 - 19 - 4.5/7287=3, 4.0/6093=3...(8) HG3 GLU 69 - HA GLU 75 OK 19 95 - 20 - 1.8/7250=3, 7249=2...(9) HB ILE 63 - HA GLU 75 OK 14 93 - 15 - 3.0/6096=2, 3.0/3952=2...(5) HB2 GLN 16 - HA GLU 75 lone 8 100 - 8 - HB3 GLN 16 - HA GLU 75 lone 8 100 - 8 - HG LEU 21 - HA GLU 75 lone 7 100 - 7 - 7321/3.6=1 HG2 GLU 64 - HA GLU 75 lone 6 99 - 6 - HB3 ARG 81 - HA GLU 75 lone 5 68 - 7 - 5.0/8329=1 Peak 7312 from cnoeabs.peaks (2.83, 1.78, 30.37 ppm; 4.93 A): 3 out of 8 assignments used, quality = 0.96: HB2 TYR 67 + HB2 GLU 75 OK 74 95 - 79 - 2.6/8333=14, ~8329=12...(21) HB3 TYR 67 + HB2 GLU 75 OK 74 95 - 79 - 2.6/8333=14, ~8329=12...(21) HB2 ASN 79 + HB2 GLU 75 OK 44 89 - 50 - 3.5/3954=7, 7317/1.8=7...(16) HB3 PHE 107 - HB2 GLU 75 OK 31 87 - 35 - ~8332=6, ~8329=6...(10) HB2 CYS 76 - HB2 GLU 75 OK 29 99 - 29 - 1136/4.3=14, 7309/3.0=5...(7) HB2 ASN 99 - HB2 GLU 75 OK 22 92 - 24 - ~7683=3, ~7681=3...(10) HB2 ASP 36 - HB2 GLU 75 lone 9 92 - 10 - 4.8/2651=3, 4.8/2658=2 HG CYS 52 - HB2 GLU 75 lone 5 68 - 7 - 5.4/5720=2, ~6953=1 Peak 7315 from cnoeabs.peaks (2.09, 1.45, 30.37 ppm; 4.44 A): 8 out of 13 assignments used, quality = 0.95: HB3 PRO 70 + HB3 GLU 75 OK 69 93 - 74 - 3.9/8334=24, 7257=12...(18) HB2 ARG 57 + HB3 GLU 75 OK 33 87 - 38 - 1.8/3964=5, ~3958=4...(18) HB2 LEU 114 + HB3 GLU 75 OK 27 99 - 28 - ~6094=3, 7310/3.0=3...(11) HB2 LEU 101 + HB3 GLU 75 OK 27 97 - 27 - 3.0/7318=3, ~3957=3...(13) HB2 GLU 15 + HB3 GLU 75 OK 25 100 - 25 - 3.0/6321=5, 3.0/8187=4...(9) HB3 GLU 38 + HB3 GLU 75 OK 14 57 - 25 - 3.0/6707=5, 3.8/6704=4...(9) HG3 GLU 69 + HB3 GLU 75 OK 14 100 - 14 - ~7250=2, 3.0/3964=2...(4) HB2 GLN 105 + HB3 GLU 75 OK 13 95 - 13 - 1.8/3964=2, 4.5/7284=2...(6) HB ILE 63 - HB3 GLU 75 poor 7 68 - 10 - 3.0/3964=1, 7310/3.0=1 HG LEU 21 - HB3 GLU 75 lone 6 99 - 6 - 7321/4.3=1 HB3 GLN 16 - HB3 GLU 75 lone 5 97 - 6 - HB2 GLN 16 - HB3 GLU 75 lone 5 97 - 5 - HG2 GLU 64 - HB3 GLU 75 lone 3 87 - 4 - Peak 7316 from cnoeabs.peaks (2.24, 1.45, 30.37 ppm; 4.86 A): 4 out of 14 assignments used, quality = 0.94: HB2 PRO 70 + HB3 GLU 75 OK 82 100 - 82 - 3.9/8334=28, 7253=14...(20) HB3 PRO 37 + HB3 GLU 75 OK 36 65 - 55 - 1.8/6678=7, 2.3/6682=7...(22) HG3 GLU 15 + HB3 GLU 75 OK 34 98 - 35 - 6321=8, 6322/1.8=6...(11) HG3 GLU 38 + HB3 GLU 75 OK 28 100 - 28 - 4.0/6707=5, 5.0/6704=4...(9) HG2 GLU 38 - HB3 GLU 75 OK 28 100 - 28 - 4.0/6707=5, 5.0/6704=4...(9) HB3 LEU 117 - HB3 GLU 75 OK 28 98 - 28 - 1.8/3962=3, 3.0/3962=2...(12) HB2 PRO 68 - HB3 GLU 75 OK 26 99 - 27 - 7227/3.0=5, ~7223=4...(10) HG2 GLU 56 - HB3 GLU 75 OK 14 100 - 14 - 7305/4.0=1, 3282/1.8=1 HG3 GLU 64 - HB3 GLU 75 lone 6 100 - 6 - HB2 CYS 87 - HB3 GLU 75 lone 5 65 - 8 - 3.0/7531=1 HG2 GLU 94 - HB3 GLU 75 lone 4 100 - 4 - HG3 GLU 28 - HB3 GLU 75 lone 4 97 - 4 - HG2 GLU 28 - HB3 GLU 75 lone 3 96 - 4 - HG3 GLU 94 - HB3 GLU 75 lone 2 65 - 3 - Peak 7317 from cnoeabs.peaks (2.84, 1.45, 30.37 ppm; 4.55 A): 3 out of 10 assignments used, quality = 0.96: HB2 TYR 67 + HB3 GLU 75 OK 74 100 - 74 - 2.6/8332=14, ~8329=10...(21) HB3 TYR 67 + HB3 GLU 75 OK 74 100 - 74 - 2.6/8332=14, ~8329=10...(21) HB2 ASN 79 + HB3 GLU 75 OK 46 99 - 46 - 3.5/3960=6, 7306/4.0=5...(17) HB3 PHE 107 - HB3 GLU 75 OK 33 99 - 33 - 2.4/8332=7, ~8329=5...(13) HB2 ASN 99 - HB3 GLU 75 OK 21 100 - 21 - ~7683=3, ~7681=3...(8) HB2 CYS 76 - HB3 GLU 75 OK 21 87 - 24 - 1136/4.3=11, 7306/4.0=4...(4) HG CYS 52 - HB3 GLU 75 lone 6 92 - 6 - 5.4/5721=2 HB2 ASP 36 - HB3 GLU 75 lone 5 100 - 5 - 7312/1.8=1 HE3 LYS 119 - HB3 GLU 75 lone 3 71 - 4 - HE2 LYS 119 - HB3 GLU 75 lone 3 68 - 4 - Peak 7318 from cnoeabs.peaks (4.48, 1.45, 30.37 ppm; 5.15 A): 3 out of 7 assignments used, quality = 0.94: HA ARG 71 + HB3 GLU 75 OK 73 100 - 73 - 3.0/8334=37, ~8335=27...(11) HA PRO 70 + HB3 GLU 75 OK 70 100 - 70 - 3.5/8334=33, 2.3/7315=12...(11) HA LEU 101 + HB3 GLU 75 OK 29 98 - 29 - 3.0/7315=4, 7319/1.8=4...(14) HA PRO 30 - HB3 GLU 75 OK 21 85 - 25 - 6581/4.0=5, 7319/1.8=5...(9) HA PRO 60 - HB3 GLU 75 OK 17 92 - 19 - 2.3/3964=3, ~3958=2...(7) HA LEU 91 - HB3 GLU 75 lone 8 76 - 10 - 7319/1.8=1 HA SER 90 - HB3 GLU 75 lone 6 85 - 7 - 3.0/7577=1, 3.0/7573=1 Peak 7319 from cnoeabs.peaks (4.50, 1.78, 30.37 ppm; 4.74 A): 4 out of 6 assignments used, quality = 0.90: HA ARG 71 + HB2 GLU 75 OK 60 90 - 67 - 3.0/8335=31, ~8334=23...(10) HA PRO 70 + HB2 GLU 75 OK 60 90 - 66 - 3.5/8335=28, 7318/1.8=8...(12) HA PRO 30 + HB2 GLU 75 OK 24 100 - 24 - 6581/4.0=5, 8245/1.8=4...(6) HA LEU 101 + HB2 GLU 75 OK 21 99 - 21 - 7318/1.8=3, 3.0/3957=3...(8) HA LEU 91 - HB2 GLU 75 lone 6 99 - 6 - HB THR 23 - HB2 GLU 75 lone 1 92 - 1 - Peak 7325 from cnoeabs.peaks (2.21, 4.36, 62.51 ppm; 5.19 A): 6 out of 14 assignments used, quality = 0.83: HB2 GLU 73 + HA CYS 76 OK 38 73 - 52 - ~6080=14, ~6079=14...(9) HB2 PRO 70 + HA CYS 76 OK 36 57 - 63 - 1.8/8319=17, 2.3/7326=12...(14) HB3 PRO 37 + HA CYS 76 OK 26 100 - 27 - 3.9/5724=6, 2.3/7326=5...(9) HG2 PRO 37 + HA CYS 76 OK 23 96 - 24 - 5546/3.6=7, 1.8/7326=5...(8) HG2 GLU 38 + HA CYS 76 OK 14 68 - 21 - 3.0/7326=5, 5.0/5724=5...(6) HG3 GLU 38 + HA CYS 76 OK 13 65 - 21 - 3.0/7326=5, 5.0/5724=5...(6) HB2 PRO 68 - HA CYS 76 lone 5 83 - 6 - 3.0/6103=1 HB3 LEU 117 - HA CYS 76 lone 5 85 - 6 - 4.0/594=2, ~358=1 HB VAL 49 - HA CYS 76 lone 5 65 - 7 - ~6037=2, ~6040=1 HG2 GLU 28 - HA CYS 76 lone 4 90 - 5 - 5.1/5724=1 HG3 GLU 28 - HA CYS 76 lone 4 87 - 5 - 5.1/5724=1 HB VAL 26 - HA CYS 76 lone 4 85 - 5 - HG2 GLU 94 - HA CYS 76 lone 4 71 - 5 - 5.0/6105=2 HG3 GLU 64 - HA CYS 76 lone 2 76 - 3 - Peak 7326 from cnoeabs.peaks (2.06, 4.36, 62.51 ppm; 4.83 A): 6 out of 14 assignments used, quality = 0.85: HG3 PRO 70 + HA CYS 76 OK 57 92 - 62 - 2.3/8320=17, 2.3/8319=14...(17) HB3 GLU 38 + HA CYS 76 OK 28 100 - 28 - 3.8/5724=5, 4.4/6099=4...(10) HG3 PRO 37 + HA CYS 76 OK 23 99 - 24 - 2.3/7325=5, 1.8/7325=4...(8) HB2 GLN 105 + HA CYS 76 OK 16 81 - 20 - 4.0/6099=4, 4.5/7330=2...(9) HB2 ARG 57 + HA CYS 76 OK 13 90 - 15 - 3.5/3981=2, ~360=2...(5) HB2 LEU 114 + HA CYS 76 OK 13 68 - 19 - 4.6/6105=5, ~7957=3...(9) HB ILE 63 - HA CYS 76 lone 8 99 - 8 - ~7124=1 HB3 ARG 81 - HA CYS 76 lone 7 100 - 7 - 3.5/3981=1 HG3 PRO 60 - HA CYS 76 lone 7 97 - 7 - 3814/8320=1 HB2 GLU 56 - HA CYS 76 lone 6 90 - 7 - HG LEU 21 - HA CYS 76 lone 5 65 - 7 - ~6394=3, ~6399=2 HB2 GLN 16 - HA CYS 76 lone 3 76 - 4 - HB3 GLN 16 - HA CYS 76 lone 3 73 - 4 - HG2 GLU 64 - HA CYS 76 lone 2 90 - 2 - Peak 7327 from cnoeabs.peaks (2.98, 2.82, 27.90 ppm; 4.20 A): 0 out of 5 assignments used, low quality = 0.39: HB3 TYR 102 - HB2 CYS 76 OK 39 95 - 41 - 4.4/7329=15, 2.5/7328=14...(5) HA VAL 110 - HB2 CYS 76 lone 8 100 - 8 - 6212/4.0=3 HB2 ASN 12 - HB2 CYS 76 lone 6 100 - 6 - 4.6/5725=1 HE2 LYS 31 - HB2 CYS 76 lone 3 93 - 3 - HE3 LYS 31 - HB2 CYS 76 lone 3 93 - 3 - Peak 7328 from cnoeabs.peaks (7.22, 2.82, 27.90 ppm; 5.08 A): 4 out of 6 assignments used, quality = 0.91: QD TYR 102 + HB2 CYS 76 OK 84 99 - 85 - 2.2/7329=32, 2.5/7327=29...(9) QD PHE 107 + HB2 CYS 76 OK 20 60 - 33 - 2.4/3985=7, ~3981=4...(13) QE PHE 40 + HB2 CYS 76 OK 17 100 - 17 - 7333/1.8=5, 5.6/3983=2...(7) QD TYR 67 + HB2 CYS 76 OK 15 89 - 16 - ~6102=2, ~6101=2...(7) H LYS 65 - HB2 CYS 76 lone 7 100 - 7 - 4709/7329=2, 4703/7327=2 QE PHE 96 - HB2 CYS 76 lone 6 63 - 10 - 7333/1.8=2, ~4819=2 Peak 7329 from cnoeabs.peaks (6.86, 2.82, 27.90 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.82: QE TYR 102 + HB2 CYS 76 OK 79 100 - 79 - 4750/1.8=31, 7749=28...(9) HZ3 TRP 20 + HB2 CYS 76 OK 16 60 - 26 - 7334/1.8=7, 2.5/3982=5...(8) HE22 GLN 105 - HB2 CYS 76 lone 9 90 - 10 - 7334/1.8=3, ~7330=2...(5) Peak 7330 from cnoeabs.peaks (7.40, 4.36, 62.51 ppm; 4.36 A): 3 out of 6 assignments used, quality = 0.76: HD21 ASN 79 + HA CYS 76 OK 49 100 - 49 - 5.6/6100=10, 3.5/6104=9...(17) H GLU 75 + HA CYS 76 OK 43 99 - 44 - 1478/2.9=24, 1651/3.6=9...(8) H LYS 32 + HA CYS 76 OK 16 99 - 17 - 1651/3.6=6, 356/2.9=3...(4) H PHE 96 - HA CYS 76 lone 10 97 - 10 - 356/2.9=2, 4.6/6105=1...(5) HE21 GLN 105 - HA CYS 76 poor 9 76 - 12 - 6.3/6099=2, ~7329=2...(5) H SER 72 - HA CYS 76 lone 8 92 - 9 - 356/2.9=2, 1651/3.6=1 Peak 7331 from cnoeabs.peaks (4.58, 2.82, 27.90 ppm; 4.48 A): 0 out of 6 assignments used, low quality = 0.45: HA ASN 99 - HB2 CYS 76 OK 28 68 - 41 - 7332/1.8=16, 6182/7327=4...(15) HA LEU 45 - HB2 CYS 76 OK 13 97 - 14 - 7332/1.8=7, ~8338=4, 7760/7329=2 HA TRP 20 - HB2 CYS 76 OK 11 95 - 12 - 7332/1.8=6, 5.1/3982=3 HA GLU 69 - HB2 CYS 76 lone 10 100 - 10 - 7332/1.8=4, 3.8/8323=2 HA ASP 47 - HB2 CYS 76 lone 5 100 - 5 - 7332/1.8=3 HB THR 121 - HB2 CYS 76 lone 4 78 - 5 - 7332/1.8=2 Peak 7332 from cnoeabs.peaks (4.58, 3.11, 27.90 ppm; 4.43 A): 0 out of 7 assignments used, low quality = 0.44: HA ASN 99 - HB3 CYS 76 OK 29 81 - 36 - 7331/1.8=15, 3.0/7676=5...(10) HA LEU 45 - HB3 CYS 76 OK 13 90 - 14 - 7331/1.8=7, ~8338=4...(4) HA TRP 20 - HB3 CYS 76 OK 10 87 - 12 - 7331/1.8=6, 5.1/3986=3 HA GLU 69 - HB3 CYS 76 lone 8 100 - 8 - 7331/1.8=5, 7760/4750=1 HA ASP 47 - HB3 CYS 76 lone 5 100 - 5 - 7331/1.8=3 HB THR 121 - HB3 CYS 76 lone 4 89 - 4 - 7331/1.8=2 HA THR 95 - HB3 CYS 76 lone 3 60 - 4 - ~6105=1 Peak 7333 from cnoeabs.peaks (7.23, 3.11, 27.90 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.83: QD TYR 102 + HB3 CYS 76 OK 80 99 - 81 - 2.2/4750=32, ~7329=25...(8) QE PHE 40 + HB3 CYS 76 OK 16 97 - 16 - 7328/1.8=4, 5.6/3987=2...(7) QE PHE 96 - HB3 CYS 76 lone 8 93 - 9 - 2.2/4819=3, 7328/1.8=1 H LYS 65 - HB3 CYS 76 lone 5 89 - 6 - 4709/4750=2, 7328/1.8=2 H VAL 26 - HB3 CYS 76 lone 4 87 - 4 - HE ARG 71 - HB3 CYS 76 lone 1 76 - 2 - Peak 7334 from cnoeabs.peaks (6.87, 3.11, 27.90 ppm; 4.65 A): 2 out of 5 assignments used, quality = 0.79: QE TYR 102 + HB3 CYS 76 OK 75 100 - 75 - 4750=33, 7329/1.8=29...(7) HZ3 TRP 20 + HB3 CYS 76 OK 19 73 - 25 - 7329/1.8=6, 2.5/3986=5...(7) HE22 GLN 105 - HB3 CYS 76 poor 8 81 - 10 - 7329/1.8=3, ~7330=2...(5) H LYS 46 - HB3 CYS 76 poor 6 63 - 10 - 3.6/7332=6, 7335/4.7=1 HE22 GLN 103 - HB3 CYS 76 lone 4 65 - 5 - 7764/7333=3, 7335/4.7=2 Peak 7336 from cnoeabs.peaks (7.88, 0.57, 22.68 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.81: H GLN 103 + QD2 LEU 77 OK 76 93 - 81 - 7768=26, 4.6/7350=25...(11) H ASP 36 + QD2 LEU 77 OK 22 100 - 22 - 4.8/7351=3, 5839/7350=3...(11) H GLY 88 - QD2 LEU 77 lone 7 83 - 8 - 4.8/7667=1, 3.0/4019=1 Peak 7337 from cnoeabs.peaks (7.23, 0.57, 22.68 ppm; 3.66 A): 5 out of 7 assignments used, quality = 0.94: QD TYR 102 + QD2 LEU 77 OK 87 100 - 87 - 4748=26, 2.5/7350=25...(21) QE PHE 40 + QD2 LEU 77 OK 26 99 - 26 - 4831/2.1=6, 7339/2.1=3...(8) QD TYR 67 + QD2 LEU 77 OK 13 68 - 19 - 4691/2.1=3, 2.6/7348=3...(6) H LYS 65 + QD2 LEU 77 OK 12 96 - 12 - 7339/2.1=2, ~7167=1...(5) QE PHE 96 + QD2 LEU 77 OK 10 85 - 12 - 7397/7419=2 H VAL 26 - QD2 LEU 77 poor 8 76 - 11 - 6494/2.1=2, 7339/2.1=1 HE ARG 71 - QD2 LEU 77 lone 1 63 - 2 - Peak 7338 from cnoeabs.peaks (6.88, 0.57, 22.68 ppm; 4.72 A): 2 out of 4 assignments used, quality = 0.93: QE TYR 102 + QD2 LEU 77 OK 89 97 - 91 - 2.2/7337=26, 4.4/7350=25...(20) HE22 GLN 103 + QD2 LEU 77 OK 38 89 - 43 - 1.7/7776=25, 6.8/7336=10...(6) H LYS 46 - QD2 LEU 77 OK 23 87 - 27 - 195=5, 4.5/969=2...(12) HZ3 TRP 20 - QD2 LEU 77 OK 18 93 - 19 - 7340/2.1=4, 7335/4.7=4...(4) Peak 7339 from cnoeabs.peaks (7.22, 0.69, 25.71 ppm; 4.53 A): 2 out of 12 assignments used, quality = 0.94: QD TYR 102 + QD1 LEU 77 OK 91 100 - 91 - 4747=25, 7337/2.1=25...(17) QE PHE 40 + QD1 LEU 77 OK 30 100 - 30 - 4831/2.1=8, 7337/2.1=7...(6) QD TYR 67 - QD1 LEU 77 OK 25 81 - 31 - 2.2/4701=6, 4691=6...(9) QD TYR 102 - QD2 LEU 54 OK 20 56 - 35 - 8497/2.1=8, 4747=6...(10) H LYS 65 - QD1 LEU 77 OK 15 99 - 15 - 3.0/7167=4, 7337/2.1=3...(4) QD TYR 67 - QD2 LEU 54 OK 11 39 - 27 - 2.2/4701=6, 4691=4...(7) H VAL 26 - QD1 LEU 77 OK 11 63 - 17 - 3.6/7353=3, 6494/2.1=2...(6) H LYS 65 - QD2 LEU 54 poor 7 54 - 13 - 8497/2.1=3, 4.6/1092=2...(4) QE PHE 96 - QD1 LEU 77 lone 6 73 - 9 - 7337/2.1=3, 7397/7420=2 QE PHE 96 - QD2 LEU 54 poor 6 35 - 16 - 8497/2.1=4, 4721/2.1=2...(6) QE PHE 40 - QD2 LEU 54 lone 5 57 - 8 - 8497/2.1=3, 6939/6928=1 H VAL 26 - QD2 LEU 54 poor 4 29 - 13 - 6490/2.1=10 Peak 7340 from cnoeabs.peaks (6.88, 0.69, 25.71 ppm; 4.59 A): 6 out of 8 assignments used, quality = 0.95: QE TYR 102 + QD1 LEU 77 OK 77 97 - 79 - 4761=23, 4762/2.1=21...(10) HZ3 TRP 20 + QD2 LEU 54 OK 40 48 - 83 - 4647/2.1=21, ~4665=19...(12) HE22 GLN 103 + QD1 LEU 77 OK 27 89 - 31 - ~7776=19, 7338/2.1=8...(5) HZ3 TRP 20 + QD1 LEU 77 OK 23 93 - 24 - 4646=5, 2.5/4641=4...(6) QE TYR 102 + QD2 LEU 54 OK 20 52 - 37 - 6979/2.1=8, 7755=6...(9) H LYS 46 + QD1 LEU 77 OK 12 87 - 14 - 7338/2.1=5, ~8585=2...(5) H LYS 46 - QD2 LEU 54 poor 5 43 - 11 - 6979/2.1=4, 7399/7420=1 HE22 GLN 103 - QD2 LEU 54 lone 3 44 - 7 - 6979/2.1=2, ~6975=2 Peak 7341 from cnoeabs.peaks (8.78, 0.57, 22.68 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.84: H ASN 99 + QD2 LEU 77 OK 79 100 - 79 - 7674=27, 3.0/7677=23...(11) H GLU 15 + QD2 LEU 77 OK 25 96 - 26 - 3.0/4019=4, ~6319=4...(12) Peak 7342 from cnoeabs.peaks (9.07, 0.57, 22.68 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.62: H ARG 81 + QD2 LEU 77 OK 62 96 - 65 - 7432=26, 6110/4.0=24...(8) H ARG 71 - QD2 LEU 77 lone 5 83 - 6 - 4.0/4021=1 Peak 7343 from cnoeabs.peaks (1.41, 3.84, 57.64 ppm; 4.55 A): 4 out of 12 assignments used, quality = 0.66: QB ALA 98 + HA LEU 77 OK 33 98 - 34 - 7667/4.0=16, 7659/6110=5...(8) HB2 LEU 111 + HA LEU 77 OK 27 73 - 38 - 1.8/3992=6, 7345/4.0=5...(16) HB2 LEU 27 + HA LEU 77 OK 22 89 - 25 - 7345/4.0=6, 4.3/3990=3...(9) HB3 LEU 91 + HA LEU 77 OK 11 92 - 12 - 7345/4.0=2, 1.8/3993=2 QB ALA 122 - HA LEU 77 lone 10 100 - 10 - 2.9/1805=2, 3.6/1810=2...(4) HB2 LEU 51 - HA LEU 77 lone 7 99 - 7 - 7345/4.0=3, 7436/6110=1 HB3 LEU 101 - HA LEU 77 lone 6 71 - 9 - 7345/4.0=3 QB ALA 89 - HA LEU 77 lone 5 68 - 7 - 7659/6110=2, 7667/4.0=1 HG LEU 59 - HA LEU 77 lone 4 96 - 4 - HB VAL 110 - HA LEU 77 lone 3 83 - 4 - 7345/4.0=1 HD3 LYS 65 - HA LEU 77 lone 1 60 - 2 - HD2 LYS 65 - HA LEU 77 lone 1 60 - 2 - Peak 7344 from cnoeabs.peaks (1.82, 1.23, 26.67 ppm; 4.46 A): 4 out of 13 assignments used, quality = 0.92: HG2 GLU 73 + HG LEU 77 OK 58 89 - 65 - 7290=11, 1.8/7290=10...(16) HG3 GLU 73 + HG LEU 77 OK 57 87 - 66 - 7290=11, 1.8/7290=10...(16) HG2 GLU 75 + HG LEU 77 OK 35 99 - 36 - 1.8/4017=7, 7354/2.1=6...(10) HG LEU 41 + HG LEU 77 OK 34 97 - 35 - 6751/3.0=6, 7346/2.1=5...(11) HG12 ILE 22 - HG LEU 77 poor 9 68 - 13 - 2.1/6443=4, 7346/2.1=2, ~7347=1 HB3 ARG 57 - HG LEU 77 lone 7 98 - 7 - HG13 ILE 63 - HG LEU 77 lone 6 100 - 6 - 7346/2.1=1, ~8310=1 HB3 GLN 105 - HG LEU 77 lone 5 100 - 5 - 4.0/5730=2 HB2 GLU 69 - HG LEU 77 lone 5 96 - 5 - HG3 ARG 53 - HG LEU 77 lone 4 99 - 4 - HB2 PRO 60 - HG LEU 77 lone 3 87 - 4 - HB3 ARG 92 - HG LEU 77 lone 2 92 - 2 - HB3 GLU 56 - HG LEU 77 lone 1 60 - 2 - Peak 7345 from cnoeabs.peaks (1.41, 0.57, 22.68 ppm; 3.20 A): 5 out of 12 assignments used, quality = 0.75: QB ALA 98 + QD2 LEU 77 OK 47 98 - 48 - 7667=21, 3.5/7341=9...(10) HB2 LEU 27 + QD2 LEU 77 OK 26 89 - 29 - 1.8/8241=4, 3.0/7352=4...(9) HB2 LEU 111 + QD2 LEU 77 OK 20 73 - 27 - 1.8/4020=4, 5000/2.1=3...(12) HB2 LEU 51 + QD2 LEU 77 OK 11 99 - 11 - 3.0/8426=2, 3.9/222=2...(4) HB3 LEU 101 + QD2 LEU 77 OK 10 71 - 15 - 4.6/7735=5, 3.1/8154=3...(4) HB3 LEU 91 - QD2 LEU 77 lone 8 92 - 8 - 1.8/4021=1, ~8368=1, 7343/4.0=1 HB VAL 110 - QD2 LEU 77 lone 5 83 - 6 - 3.0/7349=2 QB ALA 122 - QD2 LEU 77 lone 5 100 - 5 - 7667=1 QB ALA 89 - QD2 LEU 77 lone 4 68 - 6 - 7667=2 HG LEU 59 - QD2 LEU 77 lone 3 96 - 3 - HD2 LYS 65 - QD2 LEU 77 lone 1 60 - 2 - HD3 LYS 65 - QD2 LEU 77 lone 1 60 - 2 - Peak 7346 from cnoeabs.peaks (1.82, 0.57, 22.68 ppm; 4.39 A): 4 out of 13 assignments used, quality = 0.92: HG2 GLU 73 + QD2 LEU 77 OK 58 89 - 66 - 8740=12, 1.8/8740=11...(15) HG3 GLU 73 + QD2 LEU 77 OK 57 87 - 66 - 8740=12, 1.8/8740=11...(15) HG2 GLU 75 + QD2 LEU 77 OK 34 99 - 35 - 7354/2.1=6, 1.8/4024=6...(10) HG LEU 41 + QD2 LEU 77 OK 32 97 - 33 - 6751/3.1=6, 7344/2.1=5...(9) HG12 ILE 22 - QD2 LEU 77 poor 10 68 - 14 - ~6443=2, 2.9/7347=2, 7344/2.1=1 HG13 ILE 63 - QD2 LEU 77 lone 7 100 - 6 - HB3 ARG 57 - QD2 LEU 77 lone 6 98 - 6 - 7344/2.1=1 HB2 GLU 69 - QD2 LEU 77 lone 6 96 - 6 - 3.0/7352=1 HB3 GLN 105 - QD2 LEU 77 lone 6 100 - 6 - 4.0/5731=2 HG3 ARG 53 - QD2 LEU 77 lone 5 99 - 5 - HB2 PRO 60 - QD2 LEU 77 lone 3 87 - 4 - HB3 ARG 92 - QD2 LEU 77 lone 2 92 - 2 - HB3 GLU 56 - QD2 LEU 77 lone 1 60 - 2 - Peak 7347 from cnoeabs.peaks (1.91, 0.57, 22.68 ppm; 4.14 A): 5 out of 18 assignments used, quality = 0.93: HB ILE 80 + QD2 LEU 77 OK 64 97 - 65 - 7424=20, 3.2/7419=17...(13) HB3 GLU 73 + QD2 LEU 77 OK 52 100 - 52 - 2.9/8740=8, 2.9/8740=8...(14) HG LEU 55 + QD2 LEU 77 OK 29 63 - 47 - 3.0/4021=9, ~4014=5...(18) HB2 ARG 81 + QD2 LEU 77 OK 26 100 - 26 - 4.0/7342=18, 6108/4.0=3...(5) HB VAL 50 + QD2 LEU 77 OK 20 65 - 30 - 2.1/3065=5, ~4016=5...(10) HB3 LYS 31 - QD2 LEU 77 OK 19 65 - 30 - 1.8/4021=6, ~4014=4...(12) HB ILE 22 - QD2 LEU 77 OK 16 100 - 16 - 5982/4.0=2, ~6443=2...(4) HB2 GLU 28 - QD2 LEU 77 OK 13 99 - 13 - 3.8/6542=7, 2310/4.7=1 HB2 LEU 84 - QD2 LEU 77 OK 12 98 - 12 - 4.0/4018=2, 1164/7342=1...(4) HB2 LEU 21 - QD2 LEU 77 lone 8 93 - 9 - HB2 LYS 119 - QD2 LEU 77 poor 8 65 - 12 - 3.0/4019=2, ~4012=1 HB2 LYS 109 - QD2 LEU 77 poor 8 71 - 11 - 2.9/7351=2, 4.7/7350=2...(4) HG LEU 84 - QD2 LEU 77 lone 7 73 - 10 - 8359/7419=2, 5.2/4018=1 HG LEU 58 - QD2 LEU 77 lone 6 83 - 7 - ~7064=1 HB2 GLU 38 - QD2 LEU 77 lone 5 60 - 8 - 3.8/4018=2, 4.4/5731=2 HB3 GLU 64 - QD2 LEU 77 lone 3 76 - 4 - 4.6/7337=2 HB2 GLU 64 - QD2 LEU 77 lone 3 71 - 4 - 4.6/7337=2 HB3 MET 11 - QD2 LEU 77 lone 2 100 - 2 - Peak 7348 from cnoeabs.peaks (2.85, 0.57, 22.68 ppm; 4.60 A): 7 out of 10 assignments used, quality = 0.94: HB2 ASN 99 + QD2 LEU 77 OK 71 100 - 71 - 3.0/7677=21, 4.1/7341=18...(10) HB2 TYR 67 + QD2 LEU 77 OK 27 99 - 27 - ~8295=5, ~4691=4...(10) HB3 TYR 67 + QD2 LEU 77 OK 27 99 - 27 - ~8295=5, ~4691=4...(10) HB2 CYS 76 + QD2 LEU 77 OK 24 68 - 36 - 4.7/1143=17, 8339/2.1=6...(7) HB2 ASN 79 + QD2 LEU 77 OK 24 100 - 24 - 4.5/7405=6, 3.0/7352=5...(9) HB2 ASP 36 + QD2 LEU 77 OK 18 100 - 18 - 4.0/7336=5, 6660/4.7=3...(6) HB3 PHE 107 + QD2 LEU 77 OK 18 100 - 18 - ~8295=4, ~4806=2...(7) HE3 LYS 119 - QD2 LEU 77 lone 5 89 - 5 - 6.3/4019=1 HE2 LYS 119 - QD2 LEU 77 lone 5 87 - 5 - 6.3/4019=1 HG CYS 52 - QD2 LEU 77 lone 3 99 - 3 - ~6953=1 Peak 7349 from cnoeabs.peaks (2.98, 0.57, 22.68 ppm; 3.60 A): 2 out of 5 assignments used, quality = 0.74: HB3 TYR 102 + QD2 LEU 77 OK 71 95 - 75 - 1.8/7350=29, 2.5/7337=17...(16) HA VAL 110 + QD2 LEU 77 OK 10 100 - 10 - ~7884=1, 3.0/7345=1, 4695/7350=1 HE3 LYS 31 - QD2 LEU 77 lone 8 93 - 8 - 4.6/4021=2 HE2 LYS 31 - QD2 LEU 77 lone 8 93 - 8 - 4.6/4021=2 HB2 ASN 12 - QD2 LEU 77 lone 6 100 - 6 - Peak 7350 from cnoeabs.peaks (3.04, 0.57, 22.68 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.76: HB2 TYR 102 + QD2 LEU 77 OK 76 100 - 76 - 1.8/7349=25, 2.5/7337=17...(16) HE3 LYS 109 - QD2 LEU 77 lone 8 95 - 8 - 4609/7337=1 HE2 LYS 109 - QD2 LEU 77 lone 8 95 - 8 - 4609/7337=1 HD2 ARG 85 - QD2 LEU 77 lone 4 100 - 3 - Peak 7351 from cnoeabs.peaks (4.05, 0.57, 22.68 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.95: HA TYR 102 + QD2 LEU 77 OK 88 100 - 88 - 3.0/7350=33, 3.0/7349=29...(12) HA LEU 55 + QD2 LEU 77 OK 58 98 - 59 - 3.0/4021=11, 3222/3.1=7...(18) HD3 PRO 37 - QD2 LEU 77 OK 31 100 - 31 - 5542/4.7=5, 4.8/7336=5...(13) HA LYS 109 - QD2 LEU 77 OK 18 100 - 18 - 4693/7350=3, 4699/7349=2...(9) HA SER 44 - QD2 LEU 77 OK 15 83 - 18 - 6828=5, 3.6/969=3...(4) HA ALA 14 - QD2 LEU 77 OK 10 68 - 15 - 3.6/7341=7, ~6303=2...(4) HA SER 112 - QD2 LEU 77 lone 9 97 - 9 - ~568=2, 6226/7405=1 HA GLN 16 - QD2 LEU 77 lone 7 92 - 7 - Peak 7352 from cnoeabs.peaks (4.56, 0.57, 22.68 ppm; 3.80 A): 3 out of 8 assignments used, quality = 0.82: HA ASN 99 + QD2 LEU 77 OK 71 100 - 71 - 7677=26, 3.0/7341=15...(14) HA LEU 27 + QD2 LEU 77 OK 26 78 - 33 - 3.6/6542=6, 3.0/7345=6...(8) HA ASN 79 + QD2 LEU 77 OK 18 97 - 19 - 3.5/7405=5, 3.0/7348=2...(4) HA GLU 82 - QD2 LEU 77 lone 9 95 - 9 - 1670/7342=2 HB THR 121 - QD2 LEU 77 lone 7 100 - 7 - HA GLU 69 - QD2 LEU 77 lone 5 81 - 7 - ~7241=1 HA THR 95 - QD2 LEU 77 lone 5 98 - 5 - HA ASP 47 - QD2 LEU 77 lone 2 78 - 3 - Peak 7353 from cnoeabs.peaks (3.96, 0.69, 25.71 ppm; 4.02 A): 5 out of 12 assignments used, quality = 0.87: HA SER 74 + QD1 LEU 77 OK 74 99 - 75 - 7298=26, 6089/3.1=18...(13) HA3 GLY 125 + QD1 LEU 77 OK 19 100 - 19 - 8511/2.1=3, 6088/3.1=3...(9) HA2 GLY 125 + QD1 LEU 77 OK 19 100 - 19 - 8511/2.1=3, 6088/3.1=3...(9) HA2 GLY 25 + QD1 LEU 77 OK 13 78 - 17 - 8511/2.1=3, ~86=2...(7) HA THR 23 + QD1 LEU 77 OK 13 78 - 16 - 3.6/5732=4, 8511/2.1=2...(5) HA SER 74 - QD2 LEU 54 poor 9 54 - 16 - 7298=4, 3.6/1133=3...(4) HA ARG 85 - QD1 LEU 77 lone 4 71 - 5 - 1652/4.7=1 HA2 GLY 125 - QD2 LEU 54 lone 1 56 - 2 - HA3 GLY 125 - QD2 LEU 54 lone 1 56 - 2 - HA2 GLY 25 - QD2 LEU 54 lone 1 38 - 2 - HA THR 23 - QD2 LEU 54 lone 1 38 - 2 - HA ARG 85 - QD2 LEU 54 lone 0 33 - 1 - Peak 7354 from cnoeabs.peaks (1.82, 0.69, 25.71 ppm; 3.53 A): 7 out of 26 assignments used, quality = 0.88: HG2 GLU 73 + QD1 LEU 77 OK 44 89 - 50 - 8741=8, 1.8/8741=7...(14) HG3 GLU 73 + QD1 LEU 77 OK 43 87 - 50 - 8741=8, 1.8/8741=7...(14) HG2 GLU 75 + QD1 LEU 77 OK 30 99 - 31 - 3971=4, 7346/2.1=4...(11) HG LEU 41 + QD1 LEU 77 OK 20 97 - 21 - 6751/3.1=4, 7344/2.1=3...(8) HG2 GLU 75 + QD2 LEU 54 OK 14 54 - 26 - 3971=4, 3.6/3953=3...(12) HB2 PRO 60 + QD2 LEU 54 OK 14 43 - 33 - ~3207=4, 2.3/7234=3...(17) HB3 ARG 57 + QD2 LEU 54 OK 11 53 - 20 - ~8502=5, ~8503=5...(6) HG3 ARG 53 - QD2 LEU 54 lone 5 55 - 10 - 5618/4.8=6, 6075/4.0=2 HG2 GLU 73 - QD2 LEU 54 poor 5 44 - 12 - 2.9/7439=2, 4.9/7297=1...(4) HG12 ILE 22 - QD1 LEU 77 lone 5 68 - 7 - ~6443=2, 7346/2.1=1 HG3 GLU 73 - QD2 LEU 54 poor 5 43 - 12 - 2.9/7439=2, 4.9/7297=1...(4) HB3 ARG 57 - QD1 LEU 77 lone 4 98 - 4 - HG13 ILE 63 - QD1 LEU 77 lone 4 100 - 4 - HB2 GLU 69 - QD1 LEU 77 lone 4 96 - 4 - 3.6/7241=1 HB3 GLN 105 - QD1 LEU 77 lone 4 100 - 4 - 4.0/5732=1 HG3 ARG 53 - QD1 LEU 77 lone 3 99 - 3 - HB3 GLU 56 - QD2 LEU 54 poor 3 27 - 11 - 6075/4.0=2, ~6990=1...(4) HG13 ILE 63 - QD2 LEU 54 lone 3 57 - 5 - 240/4.8=1 HG LEU 41 - QD2 LEU 54 lone 3 51 - 5 - ~6985=1, 240/4.8=1 HB2 PRO 60 - QD1 LEU 77 lone 3 87 - 3 - HB3 ARG 92 - QD1 LEU 77 lone 2 92 - 2 - HB2 GLU 69 - QD2 LEU 54 lone 1 50 - 3 - 3.6/7241=1 HB3 ARG 92 - QD2 LEU 54 lone 1 47 - 3 - 5618/4.8=1 HB3 GLN 105 - QD2 LEU 54 lone 1 56 - 2 - HG12 ILE 22 - QD2 LEU 54 lone 1 32 - 3 - HB3 GLU 56 - QD1 LEU 77 lone 1 60 - 1 - Peak 7355 from cnoeabs.peaks (1.90, 1.19, 41.21 ppm; 4.91 A): 5 out of 28 assignments used, quality = 0.95: HG LEU 55 + HB2 LEU 77 OK 54 87 - 63 - 3.0/4000=10, 3243/1.8=6...(19) HB3 GLU 73 + HB2 LEU 77 OK 50 98 - 52 - 7439/3.1=8, ~8738=7...(14) HB ILE 80 + HB2 LEU 77 OK 47 83 - 57 - 7424/3.1=15, ~7419=10...(13) HB3 LYS 31 + HB2 LEU 77 OK 36 89 - 41 - 1.8/4000=6, ~3993=5...(17) HB VAL 50 + HB2 LEU 77 OK 31 89 - 34 - 2.1/4002=8, ~3995=5...(9) HB ILE 22 - HB3 LEU 111 OK 27 53 - 51 - 2153/3.1=8, ~5002=6...(16) HB2 LEU 84 - HB3 LEU 111 OK 24 55 - 43 - ~8164=6, ~7916=5...(16) HG LEU 84 - HB3 LEU 111 OK 21 47 - 45 - ~8164=8, ~7916=7...(15) HB ILE 22 - HB2 LEU 77 OK 19 99 - 19 - 5982/3.0=3, ~6443=2...(4) HB2 LYS 119 - HB2 LEU 77 OK 17 89 - 19 - 3.0/3998=2, 5201/3.0=2...(9) HB2 GLU 28 - HB2 LEU 77 OK 12 100 - 12 - 3.8/3997=3, 2310/4.0=2...(4) HB2 LEU 84 - HB2 LEU 77 OK 10 100 - 10 - 4239/4.0=2, 4.0/3997=1...(4) HB2 ARG 81 - HB2 LEU 77 OK 10 99 - 10 - 7347/3.1=3, 6108/3.0=3 HG LEU 84 - HB2 LEU 77 poor 10 93 - 10 - 4253/4.0=2, ~6108=1...(4) HB ILE 80 - HB3 LEU 111 poor 8 39 - 21 - ~7402=4, ~8379=2...(7) HB2 LYS 119 - HB3 LEU 111 poor 8 43 - 19 - ~6272=3, ~8033=2...(7) HB2 ARG 81 - HB3 LEU 111 poor 7 53 - 13 - 7439/3.1=3, ~7433=2...(4) HB3 LYS 31 - HB3 LEU 111 poor 7 43 - 15 - 2419/1.8=2, ~2409=2...(4) HB2 GLU 28 - HB3 LEU 111 poor 6 55 - 11 - ~6563=3, ~6200=1, ~7903=1 HB2 LEU 21 - HB2 LEU 77 lone 6 73 - 8 - ~5993=1 HG LEU 55 - HB3 LEU 111 poor 5 42 - 11 - ~8418=2, ~7914=1...(5) HB2 LEU 21 - HB3 LEU 111 poor 4 33 - 11 - ~6405=3, 6409/1.8=2, 3.0/5993=1 HB3 GLU 73 - HB3 LEU 111 lone 2 51 - 4 - HB3 MET 11 - HB2 LEU 77 lone 2 93 - 2 - HB2 ARG 92 - HB2 LEU 77 lone 2 68 - 3 - HB VAL 50 - HB3 LEU 111 lone 1 43 - 3 - HB3 MET 11 - HB3 LEU 111 lone 1 47 - 2 - HB2 ARG 92 - HB3 LEU 111 lone 1 31 - 2 - Peak 7361 from cnoeabs.peaks (7.20, 4.13, 62.60 ppm; 4.65 A): 5 out of 6 assignments used, quality = 0.91: QD TYR 67 + HB3 SER 78 OK 79 100 - 79 - 2.2/7362=24, 7363/1.8=23...(11) H LYS 65 + HB3 SER 78 OK 32 95 - 34 - 7363/1.8=9, 7172=5...(9) QD PHE 107 + HB3 SER 78 OK 17 95 - 18 - 7363/1.8=4, 4766/3.9=3...(7) QD TYR 102 + HB3 SER 78 OK 12 78 - 16 - 7378/4.5=4, 7359/3.9=4 QE PHE 40 + HB3 SER 78 OK 12 85 - 14 - 7359/3.9=3, 7363/1.8=3...(4) HE ARG 81 - HB3 SER 78 lone 5 85 - 6 - 7363/1.8=2, ~7443=1 Peak 7362 from cnoeabs.peaks (6.79, 4.13, 62.60 ppm; 4.01 A): 3 out of 5 assignments used, quality = 0.82: QE TYR 67 + HB3 SER 78 OK 69 100 - 70 - 7364/1.8=21, 4692=20...(10) H VAL 110 + HB3 SER 78 OK 32 100 - 32 - 7364/1.8=9, 7360/3.9=5...(10) HH2 TRP 20 + HB3 SER 78 OK 14 100 - 14 - 7364/1.8=5, 7360/3.9=4 HD22 ASN 99 - HB3 SER 78 poor 8 60 - 13 - 1.7/5735=3, ~5734=3...(5) HE21 GLN 42 - HB3 SER 78 lone 3 65 - 4 - Peak 7363 from cnoeabs.peaks (7.20, 4.30, 62.60 ppm; 4.28 A): 4 out of 6 assignments used, quality = 0.87: QD TYR 67 + HB2 SER 78 OK 76 100 - 76 - 2.2/7364=21, 4682=19...(11) H LYS 65 + HB2 SER 78 OK 29 95 - 31 - 7361/1.8=7, 1080=4...(9) QD PHE 107 + HB2 SER 78 OK 14 95 - 14 - 7361/1.8=4, 4766/3.9=2...(6) QD TYR 102 + HB2 SER 78 OK 12 78 - 15 - 7378/4.5=4, 7359/3.9=3...(5) QE PHE 40 - HB2 SER 78 poor 9 85 - 10 - 7361/1.8=3, 7359/3.9=2...(4) HE ARG 81 - HB2 SER 78 lone 5 85 - 6 - 7366/3.0=2, ~7443=1, 7361/1.8=1 Peak 7364 from cnoeabs.peaks (6.79, 4.30, 62.60 ppm; 3.99 A): 3 out of 5 assignments used, quality = 0.83: QE TYR 67 + HB2 SER 78 OK 71 100 - 71 - 4683=21, 7362/1.8=21...(10) H VAL 110 + HB2 SER 78 OK 30 100 - 30 - 7362/1.8=10, 7367/3.0=5...(6) HH2 TRP 20 + HB2 SER 78 OK 18 100 - 18 - 7362/1.8=4, 7360/3.9=4...(5) HD22 ASN 99 - HB2 SER 78 poor 8 60 - 14 - 1.7/5734=3, 7362/1.8=2...(6) HE21 GLN 42 - HB2 SER 78 lone 3 65 - 4 - Peak 7366 from cnoeabs.peaks (7.21, 4.17, 62.18 ppm; 5.04 A): 3 out of 12 assignments used, quality = 0.92: QD TYR 67 + HA SER 78 OK 85 97 - 88 - 7363/3.0=20, 2.2/7367=19...(15) H LYS 65 + HA SER 78 OK 38 100 - 38 - 7363/3.0=8, 7378/3.6=7...(10) H LYS 65 + HA ILE 124 OK 19 62 - 32 - 7172=5, ~8111=4...(12) QD TYR 102 - HA SER 78 OK 18 96 - 19 - 7378/3.6=6, 7359/2.9=6 HE ARG 81 - HA SER 78 OK 18 60 - 30 - 7.1/8658=13, 5.0/7450=6...(8) QE PHE 40 - HA SER 78 OK 16 98 - 16 - 7359/2.9=5, 7378/3.6=4...(5) QD PHE 107 - HA SER 78 OK 14 76 - 19 - ~4767=4, 7363/3.0=4...(5) QD TYR 67 - HA ILE 124 poor 8 57 - 14 - 4684=2, 4690/3.2=2...(5) QD PHE 107 - HA ILE 124 poor 7 40 - 18 - ~4794=3, 7827/3.2=3...(8) QD TYR 102 - HA ILE 124 poor 6 56 - 11 - 4742/3.0=2, 4825/4.0=2...(4) QE PHE 40 - HA ILE 124 lone 6 59 - 10 - 4831/4.0=1 HE ARG 81 - HA ILE 124 lone 2 30 - 8 - 7.1/8658=2, 5.0/7450=1 Peak 7367 from cnoeabs.peaks (6.79, 4.17, 62.18 ppm; 4.67 A): 3 out of 10 assignments used, quality = 0.87: QE TYR 67 + HA SER 78 OK 75 100 - 76 - 7364/3.0=21, 7360/2.9=18...(11) H VAL 110 + HA SER 78 OK 36 100 - 36 - 7364/3.0=9, 7360/2.9=8...(8) HH2 TRP 20 + HA SER 78 OK 17 100 - 16 - 7360/2.9=6, 7364/3.0=5 HD22 ASN 99 - HA SER 78 poor 10 60 - 16 - 1.7/5733=3, ~1481=3...(6) H VAL 110 - HA ILE 124 poor 9 62 - 15 - 555/4.0=3, 7884/4.0=2...(5) QE TYR 67 - HA ILE 124 poor 7 62 - 11 - 4700/3.2=2, 2.2/4684=2...(4) HE21 GLN 42 - HA SER 78 lone 3 65 - 4 - HH2 TRP 20 - HA ILE 124 lone 2 62 - 3 - HE21 GLN 42 - HA ILE 124 lone 1 34 - 3 - HD22 ASN 99 - HA ILE 124 lone 1 30 - 3 - Peak 7373 from cnoeabs.peaks (3.58, 3.88, 37.82 ppm; 5.04 A): 3 out of 6 assignments used, quality = 0.95: HA2 GLY 48 + HB3 ASN 79 OK 73 100 - 73 - 1.8/7374=27, 6882/1.8=15...(12) HD2 PRO 70 + HB3 ASN 79 OK 59 68 - 87 - ~7278=15, ~7272=12...(29) HA GLU 75 + HB3 ASN 79 OK 57 100 - 57 - 6098/3.9=14, 3948/3.5=9...(17) HA2 GLY 39 - HB3 ASN 79 OK 33 85 - 39 - 1663/3.9=6, 2.9/4061=6...(14) HA LEU 111 - HB3 ASN 79 OK 16 78 - 21 - 6224/4.5=6, 1663/3.9=3...(9) HA LEU 51 - HB3 ASN 79 poor 8 71 - 12 - 6056/3.5=3, ~6119=2...(4) Peak 7374 from cnoeabs.peaks (4.25, 3.88, 37.82 ppm; 4.53 A): 2 out of 9 assignments used, quality = 0.71: HA3 GLY 48 + HB3 ASN 79 OK 67 100 - 67 - 6887=26, 6888/1.8=14...(12) HB THR 19 + HB3 ASN 79 OK 10 100 - 10 - 7407/4.5=4, ~8421=3, 7375/1.8=2 HA GLU 94 - HB3 ASN 79 poor 9 83 - 11 - 3.6/1245=7, 5807/4.5=1 HA GLN 103 - HB3 ASN 79 lone 7 73 - 9 - ~1738=2, ~7765=1, 7771=1 HA THR 17 - HB3 ASN 79 lone 6 89 - 7 - 7407/4.5=2, 7375/1.8=1 HA ALA 89 - HB3 ASN 79 lone 5 98 - 5 - 7407/4.5=2 HA LEU 58 - HB3 ASN 79 lone 4 100 - 4 - 7407/4.5=2 HA GLU 64 - HB3 ASN 79 lone 3 99 - 3 - HA ALA 122 - HB3 ASN 79 lone 2 83 - 2 - Peak 7375 from cnoeabs.peaks (4.25, 2.84, 37.82 ppm; 4.34 A): 8 out of 33 assignments used, quality = 0.95: HA3 GLY 48 + HB2 ASN 79 OK 68 100 - 68 - 7374/1.8=21, 6888=16...(13) HA3 GLY 48 + HB3 TYR 67 OK 42 100 - 42 - 6888=10, 6888/1.8=8...(10) HA3 GLY 48 + HB2 TYR 67 OK 42 100 - 42 - 6888=10, 6888/1.8=8...(10) HA CYS 52 + HB2 ASN 79 OK 15 71 - 22 - 6058/3.5=5, 3.0/6954=3...(6) HA CYS 52 + HB3 TYR 67 OK 14 70 - 20 - 6956=2, 3.0/6954=2...(9) HA CYS 52 + HB2 TYR 67 OK 14 70 - 20 - 6956=2, 3.0/6954=2...(9) HB THR 19 + HB2 ASN 79 OK 13 100 - 13 - 7407/4.5=3, 7374/1.8=3, ~8421=2 HA VAL 26 + HB2 ASN 79 OK 11 68 - 16 - ~6505=2, ~8234=2...(7) HA GLU 64 - HB2 TYR 67 poor 9 93 - 10 - ~1471=2, 5669/2.6=2...(4) HA GLU 64 - HB3 TYR 67 poor 9 93 - 10 - ~1471=2, 5669/2.6=2...(4) HA THR 17 - HB2 ASN 79 lone 8 96 - 8 - 7374/1.8=2, 7407/4.5=2 HA GLU 94 - HB2 ASN 79 lone 6 71 - 9 - 7374/1.8=3, 3.6/5737=3 HA ALA 89 - HB2 ASN 79 lone 6 100 - 6 - 7407/4.5=2, 7374/1.8=2 HA LEU 58 - HB2 ASN 79 lone 5 99 - 5 - 7407/4.5=1, 7374/1.8=1 HA GLN 103 - HB2 ASN 79 lone 5 60 - 8 - 7374/1.8=2, ~1738=2...(4) HA GLU 64 - HB2 ASN 79 lone 4 95 - 5 - 7374/1.8=1 HB THR 19 - HB3 TYR 67 lone 3 100 - 3 - HB THR 19 - HB2 TYR 67 lone 3 100 - 3 - HA ALA 89 - HB3 TYR 67 lone 3 99 - 3 - HA ALA 89 - HB2 TYR 67 lone 3 99 - 3 - HA THR 17 - HB2 TYR 67 lone 3 95 - 3 - HA THR 17 - HB3 TYR 67 lone 3 95 - 3 - HA VAL 26 - HB2 TYR 67 lone 2 67 - 3 - HA VAL 26 - HB3 TYR 67 lone 2 67 - 3 - HA LEU 58 - HB3 TYR 67 lone 2 98 - 2 - HA LEU 58 - HB2 TYR 67 lone 2 98 - 2 - HA ALA 122 - HB2 ASN 79 lone 2 71 - 3 - HA GLN 103 - HB3 TYR 67 lone 2 59 - 3 - HA GLN 103 - HB2 TYR 67 lone 2 59 - 3 - HA GLU 94 - HB2 TYR 67 lone 1 70 - 2 - HA GLU 94 - HB3 TYR 67 lone 1 70 - 2 - HA ALA 122 - HB3 TYR 67 lone 1 70 - 2 - HA ALA 122 - HB2 TYR 67 lone 1 70 - 2 - Peak 7376 from cnoeabs.peaks (3.60, 2.84, 37.82 ppm; 4.96 A): 9 out of 18 assignments used, quality = 1.00: HD2 PRO 70 + HB2 ASN 79 OK 82 90 - 91 - ~7278=15, 2.3/7461=14...(31) HA GLU 75 + HB2 TYR 67 OK 75 97 - 78 - 8329/2.6=22, 4693/4.5=17...(19) HA GLU 75 + HB3 TYR 67 OK 75 97 - 78 - 8329/2.6=22, 4693/4.5=17...(19) HA2 GLY 48 + HB2 ASN 79 OK 72 95 - 76 - ~7374=20, ~6887=19...(12) HA GLU 75 + HB2 ASN 79 OK 58 97 - 60 - 6098/3.9=13, 7373/1.8=8...(18) HA2 GLY 48 + HB2 TYR 67 OK 49 93 - 53 - 6882=9, 1.8/6888=9...(10) HA2 GLY 48 + HB3 TYR 67 OK 49 93 - 53 - 6882=9, 1.8/6888=9...(10) HD2 PRO 70 + HB3 TYR 67 OK 48 89 - 54 - 4.8/7242=8, 8323=7...(14) HD2 PRO 70 + HB2 TYR 67 OK 48 89 - 54 - 4.8/7242=8, 8323=7...(14) HA2 GLY 39 - HB2 ASN 79 OK 40 98 - 41 - 2729/3.5=6, 1663/3.9=6...(13) HA VAL 115 - HB2 ASN 79 OK 31 78 - 40 - 5098/4.5=9, 3.2/7968=5...(13) HA2 GLY 39 - HB2 TYR 67 OK 20 97 - 21 - ~4816=4, 4686/2.6=4...(6) HA2 GLY 39 - HB3 TYR 67 OK 20 97 - 21 - ~4816=4, 4686/2.6=4...(6) HA LEU 111 - HB2 ASN 79 OK 19 96 - 20 - 6224/4.5=8, 1663/3.9=3...(5) HA LEU 111 - HB2 TYR 67 OK 14 95 - 15 - 4686/2.6=4, ~8158=3, 7897/4.5=3 HA LEU 111 - HB3 TYR 67 OK 14 95 - 15 - 4686/2.6=4, ~8158=3, 7897/4.5=3 HA VAL 115 - HB3 TYR 67 lone 6 77 - 8 - HA VAL 115 - HB2 TYR 67 lone 6 77 - 8 - Peak 7377 from cnoeabs.peaks (2.08, 2.84, 37.82 ppm; 4.91 A): 4 out of 39 assignments used, quality = 0.96: HB3 PRO 70 + HB2 ASN 79 OK 78 85 - 92 - 1.8/7259=14, 2.3/7461=14...(34) HB3 PRO 70 + HB2 TYR 67 OK 47 84 - 56 - 1.8/7259=8, 7255/1.8=7...(16) HB3 PRO 70 + HB3 TYR 67 OK 47 84 - 56 - 1.8/7259=8, 7255/1.8=7...(16) HB2 GLN 105 + HB2 ASN 79 OK 42 99 - 43 - 4770/3.5=6, 8674/3.9=5...(16) HB ILE 63 - HB2 TYR 67 OK 33 79 - 41 - 4688/2.6=7, ~7125=7...(10) HB ILE 63 - HB3 TYR 67 OK 33 79 - 41 - 4688/2.6=7, ~7125=7...(10) HB2 LEU 101 - HB3 TYR 67 OK 21 91 - 23 - ~8152=4, 4688/2.6=3...(9) HB2 LEU 101 - HB2 TYR 67 OK 21 91 - 23 - ~8152=4, 4688/2.6=3...(9) HB ILE 63 - HB2 ASN 79 OK 18 81 - 22 - ~7127=4, 3.2/8646=4...(8) HB2 LEU 114 - HB2 ASN 79 OK 18 100 - 18 - 5893/4.5=10, 4.6/5737=3 HB2 LEU 114 - HB2 TYR 67 OK 16 100 - 17 - 4688/2.6=4, ~4682=3...(5) HB2 LEU 114 - HB3 TYR 67 OK 16 100 - 17 - 4688/2.6=4, ~4682=3...(5) HB3 GLU 38 - HB2 ASN 79 OK 13 71 - 18 - 4.4/6729=3, ~5548=2...(8) HB3 GLU 38 - HB3 TYR 67 OK 12 70 - 18 - 4688/2.6=5, ~6720=4...(5) HB3 GLU 38 - HB2 TYR 67 OK 12 70 - 18 - 4688/2.6=5, ~6720=4...(5) HG3 GLU 69 - HB2 ASN 79 OK 12 99 - 12 - 5.0/7242=4, ~4784=1, 7249/8323=1 HG3 GLU 69 - HB2 TYR 67 OK 11 99 - 11 - 5.0/7242=8 HG3 GLU 69 - HB3 TYR 67 OK 11 99 - 11 - 5.0/7242=8 HG2 GLU 64 - HB2 TYR 67 lone 9 93 - 9 - 4688/2.6=2, ~5673=2, ~5671=1 HG2 GLU 64 - HB3 TYR 67 lone 9 93 - 9 - 4688/2.6=2, ~5673=2, ~5671=1 HB2 GLN 105 - HB2 TYR 67 lone 8 98 - 8 - 4688/2.6=1 HB2 GLN 105 - HB3 TYR 67 lone 8 98 - 8 - 4688/2.6=1 HB2 LEU 101 - HB2 ASN 79 lone 7 92 - 8 - HB2 GLU 15 - HB2 ASN 79 lone 7 100 - 7 - 1915/7259=1 HB2 ARG 57 - HB2 TYR 67 lone 5 93 - 6 - 4688/2.6=2 HB2 ARG 57 - HB3 TYR 67 lone 5 93 - 6 - 4688/2.6=2 HB2 GLU 15 - HB2 TYR 67 lone 5 100 - 5 - HB2 GLU 15 - HB3 TYR 67 lone 5 100 - 5 - HB2 ARG 57 - HB2 ASN 79 lone 5 95 - 5 - HB3 GLN 16 - HB2 ASN 79 lone 5 100 - 5 - HB2 GLN 16 - HB2 ASN 79 lone 5 99 - 5 - HG LEU 21 - HB2 ASN 79 lone 4 100 - 4 - HG LEU 21 - HB3 TYR 67 lone 4 100 - 4 - HG LEU 21 - HB2 TYR 67 lone 4 100 - 4 - HG2 GLU 64 - HB2 ASN 79 lone 4 95 - 4 - HB3 GLN 16 - HB3 TYR 67 lone 3 99 - 3 - HB3 GLN 16 - HB2 TYR 67 lone 3 99 - 3 - HB2 GLN 16 - HB2 TYR 67 lone 3 99 - 3 - HB2 GLN 16 - HB3 TYR 67 lone 3 99 - 3 - Peak 7389 from cnoeabs.peaks (7.08, 3.64, 66.48 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.70: HZ PHE 96 + HA ILE 80 OK 65 100 - 65 - 4728/3.2=16, 4728/4.1=12...(18) H LEU 93 + HA ILE 80 OK 15 98 - 16 - 7392/3.2=3, 7726/7422=1...(4) HE ARG 92 - HA ILE 80 lone 4 73 - 5 - HD2 HIS 10 - HA ILE 80 lone 1 65 - 1 - Peak 7390 from cnoeabs.peaks (8.47, 1.27, 19.03 ppm; 4.48 A): 4 out of 8 assignments used, quality = 0.94: H TYR 102 + QG2 ILE 80 OK 74 99 - 75 - 7736=15, 7736/3.2=13...(18) H GLU 82 + QG2 ILE 80 OK 46 73 - 63 - 390/4.4=21, 3.6/7409=14...(12) H LEU 84 + QG2 ILE 80 OK 45 71 - 64 - 4.6/7402=11, 4.6/7404=11...(14) H GLN 16 + QG2 ILE 80 OK 26 81 - 32 - 3.6/7408=4, 1669/4.0=4...(12) H PHE 40 - QG2 ILE 80 OK 14 87 - 17 - 4.5/7392=3, 1504/7393=1...(5) H GLU 28 - QG2 ILE 80 OK 14 63 - 22 - 4.3/7401=3, 4.3/7400=2...(7) H LYS 31 - QG2 ILE 80 OK 12 68 - 18 - 4.6/906=3, 3.9/4080=2...(5) H GLY 2 - QG2 ILE 80 lone 2 89 - 3 - Peak 7391 from cnoeabs.peaks (7.26, 1.27, 19.03 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.84: QD PHE 96 + QG2 ILE 80 OK 58 97 - 60 - 4711=12, 2.2/4721=11...(22) QE PHE 96 + QG2 ILE 80 OK 53 90 - 59 - 4721=15, 2.2/4711=10...(16) H VAL 26 + QG2 ILE 80 OK 21 96 - 22 - 4.0/7403=6, 4.0/7403=5...(4) HE ARG 57 - QG2 ILE 80 lone 5 100 - 5 - HE ARG 71 - QG2 ILE 80 lone 2 99 - 2 - HD1 TRP 20 - QG2 ILE 80 lone 1 73 - 2 - Peak 7392 from cnoeabs.peaks (7.11, 1.27, 19.03 ppm; 3.98 A): 4 out of 6 assignments used, quality = 0.79: QD PHE 83 + QG2 ILE 80 OK 43 99 - 44 - 2.5/7428=8, 3.7/7410=7...(9) HZ PHE 96 + QG2 ILE 80 OK 41 63 - 65 - 2.2/7391=16, 4728=12...(20) H LEU 93 + QG2 ILE 80 OK 24 90 - 26 - 4.7/8377=4, 4.7/7402=4...(7) QD PHE 40 + QG2 ILE 80 OK 18 96 - 19 - 2.2/4831=3, ~7397=2...(5) HE ARG 92 - QG2 ILE 80 lone 5 100 - 5 - HE ARG 53 - QG2 ILE 80 lone 3 60 - 5 - Peak 7393 from cnoeabs.peaks (6.98, 1.27, 19.03 ppm; 4.74 A): 3 out of 4 assignments used, quality = 0.83: H LEU 101 + QG2 ILE 80 OK 64 97 - 66 - 7398/3.2=16, 7729=16...(14) QE PHE 107 + QG2 ILE 80 OK 45 99 - 45 - 7398/3.2=10, 4795/3.2=5...(16) HD22 ASN 108 + QG2 ILE 80 OK 12 99 - 12 - 7398/3.2=3, 4.3/7671=2 HD22 ASN 12 - QG2 ILE 80 poor 9 76 - 11 - 7398/3.2=3, ~7415=1 Peak 7394 from cnoeabs.peaks (8.49, 1.27, 14.08 ppm; 3.79 A): 6 out of 9 assignments used, quality = 0.92: H TYR 102 + QD1 ILE 80 OK 64 89 - 72 - 4.0/7414=17, 7736=15...(16) H LEU 84 + QD1 ILE 80 OK 38 100 - 39 - 4.6/8356=7, 1688/4.1=6...(9) H LEU 77 + QD1 ILE 80 OK 38 93 - 41 - 4.7/7419=9, 4.7/7420=8...(10) H GLU 28 + QD1 ILE 80 OK 21 100 - 21 - 4.3/7418=2, 6131/4.1=2...(6) H LYS 31 + QD1 ILE 80 OK 18 100 - 18 - 4.6/906=2, 112/2.1=2...(5) H PHE 40 + QD1 ILE 80 OK 12 99 - 13 - 6131/4.1=1, 6.5/7397=1 H SER 13 - QD1 ILE 80 lone 7 100 - 7 - 4.6/7415=1 H GLU 38 - QD1 ILE 80 lone 5 71 - 8 - 3.6/7413=1 H GLY 2 - QD1 ILE 80 lone 2 99 - 2 - Peak 7395 from cnoeabs.peaks (7.79, 1.27, 14.08 ppm; 4.70 A): 3 out of 5 assignments used, quality = 0.86: H GLY 48 + QD1 ILE 80 OK 63 81 - 78 - 6878=15, ~6883=11...(20) H LEU 45 + QD1 ILE 80 OK 40 100 - 40 - 4.7/8344=10, 4.5/7399=8...(10) H ILE 124 + QD1 ILE 80 OK 36 99 - 36 - 1415/2.1=5, 3.0/7413=5...(15) H GLY 25 - QD1 ILE 80 lone 5 65 - 7 - 4.6/6494=2 HD21 ASN 106 - QD1 ILE 80 lone 3 83 - 4 - Peak 7396 from cnoeabs.peaks (7.88, 1.27, 14.08 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.77: H GLN 103 + QD1 ILE 80 OK 72 98 - 73 - 4.6/7414=24, 7767=18...(12) H ASP 36 + QD1 ILE 80 OK 18 99 - 18 - 5839/7414=3, 4.0/7416=3...(7) H GLY 88 - QD1 ILE 80 poor 9 71 - 12 - 4.8/8342=2, 7553/2.1=1...(4) Peak 7397 from cnoeabs.peaks (7.23, 1.27, 14.08 ppm; 3.49 A): 4 out of 6 assignments used, quality = 0.91: QD TYR 102 + QD1 ILE 80 OK 69 99 - 70 - 2.5/7414=21, 4745=15...(17) QE PHE 96 + QD1 ILE 80 OK 59 93 - 63 - 4721=16, 2.2/4711=10...(16) QE PHE 40 + QD1 ILE 80 OK 18 97 - 18 - 4831=3, 4831/3.2=2...(5) H VAL 26 + QD1 ILE 80 OK 11 87 - 12 - 6494/3.2=3, 6494=2, ~8349=1 H LYS 65 - QD1 ILE 80 poor 10 89 - 11 - HE ARG 71 - QD1 ILE 80 lone 1 76 - 2 - Peak 7398 from cnoeabs.peaks (6.97, 1.27, 14.08 ppm; 4.62 A): 4 out of 4 assignments used, quality = 0.86: H LEU 101 + QD1 ILE 80 OK 68 100 - 68 - 7729=17, 7393/3.2=15...(15) QE PHE 107 + QD1 ILE 80 OK 43 96 - 45 - 7393/3.2=10, 4795/2.1=5...(17) HD22 ASN 108 + QD1 ILE 80 OK 13 100 - 13 - 7393/3.2=3, 4.3/7671=2 HD22 ASN 12 + QD1 ILE 80 OK 11 87 - 13 - 3.5/7415=3, 7393/3.2=2 Peak 7399 from cnoeabs.peaks (6.89, 1.27, 14.08 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.86: QE TYR 102 + QD1 ILE 80 OK 61 83 - 74 - 4.4/7414=22, 2.2/7397=19...(16) H LYS 46 + QD1 ILE 80 OK 45 99 - 46 - 2.9/8585=8, 4.5/7395=7...(15) HZ3 TRP 20 + QD1 ILE 80 OK 20 100 - 21 - 4645/2.1=4, 2.4/4660=2...(8) HE22 GLN 103 + QD1 ILE 80 OK 19 99 - 19 - 6.8/7396=9, 7764/7397=3 Peak 7400 from cnoeabs.peaks (1.42, 1.27, 19.03 ppm; 2.92 A): 8 out of 12 assignments used, quality = 0.90: QB ALA 98 + QG2 ILE 80 OK 51 100 - 52 - 7665=14, 2.1/7671=8...(16) HB3 LEU 101 + QG2 ILE 80 OK 41 83 - 50 - 3.1/7401=7, 3.1/7706=6...(23) HB2 LEU 51 + QG2 ILE 80 OK 29 100 - 29 - 3.1/7403=7, 3.1/7404=4...(12) HG LEU 59 + QG2 ILE 80 OK 14 89 - 16 - 2.1/4081=2, 8342/3.2=2...(6) HB3 LEU 91 + QG2 ILE 80 OK 12 97 - 13 - 3.1/7402=2, 3.1/8368=2 HB VAL 110 + QG2 ILE 80 OK 12 71 - 18 - 2.1/7404=5, ~8345=2...(8) HB2 LEU 27 + QG2 ILE 80 OK 12 78 - 16 - 1.8/7401=3, 7425/2.1=1...(5) QB ALA 89 + QG2 ILE 80 OK 11 81 - 14 - 7665=2, 7659/4.4=2...(4) QB ALA 122 - QG2 ILE 80 lone 8 99 - 8 - 7665=1 HB2 LEU 111 - QG2 ILE 80 poor 7 60 - 12 - 3.0/7402=3, 3.1/7402=2 HD3 LYS 65 - QG2 ILE 80 lone 2 73 - 3 - HD2 LYS 65 - QG2 ILE 80 lone 2 73 - 3 - Peak 7401 from cnoeabs.peaks (1.03, 1.27, 19.03 ppm; 3.40 A): 5 out of 6 assignments used, quality = 0.93: QD2 LEU 101 + QG2 ILE 80 OK 73 100 - 73 - 7714=16, 2.1/7706=10...(27) QG1 VAL 120 + QG2 ILE 80 OK 47 100 - 47 - 8048=12, 2.1/8054=8...(13) QD1 LEU 58 + QG2 ILE 80 OK 25 71 - 36 - 7063=5, 7418/3.2=4...(16) HB3 LEU 21 + QG2 ILE 80 OK 21 76 - 28 - ~8344=3, 1.8/4078=3...(12) HB3 LEU 27 + QG2 ILE 80 OK 20 83 - 24 - 7418/3.2=3, 1.8/7400=3...(7) QG2 THR 33 - QG2 ILE 80 lone 3 71 - 5 - 4.0/133=1 Peak 7402 from cnoeabs.peaks (0.75, 1.27, 19.03 ppm; 3.31 A): 6 out of 7 assignments used, quality = 0.85: QD1 LEU 84 + QG2 ILE 80 OK 58 99 - 58 - 8357=15, 2.1/7404=11...(17) QD2 LEU 93 + QG2 ILE 80 OK 27 100 - 27 - 2.1/8377=6, 8379=5...(8) HG LEU 111 + QG2 ILE 80 OK 20 100 - 20 - 8379=3, 2.1/8379=2...(4) QD1 LEU 91 + QG2 ILE 80 OK 15 97 - 16 - 2.1/8368=3, 3.1/7400=2, ~8368=1 QD2 LEU 111 + QG2 ILE 80 OK 14 81 - 18 - 8379=2, 2.1/8379=2 QG2 ILE 63 + QG2 ILE 80 OK 13 99 - 13 - 7431/4.4=3, 3.2/7410=1 QG2 VAL 66 - QG2 ILE 80 lone 4 85 - 5 - Peak 7403 from cnoeabs.peaks (0.61, 1.27, 19.03 ppm; 3.73 A): 3 out of 3 assignments used, quality = 0.76: QD1 LEU 51 + QG2 ILE 80 OK 47 96 - 50 - 7423/3.2=10, 2.1/7404=9...(16) QG1 VAL 26 + QG2 ILE 80 OK 35 100 - 35 - 7423/3.2=7, 7405/4.0=4...(12) QG2 VAL 26 + QG2 ILE 80 OK 31 92 - 33 - 7423/3.2=6, ~7423=4...(11) Peak 7404 from cnoeabs.peaks (0.14, 1.27, 19.03 ppm; 3.95 A): 3 out of 3 assignments used, quality = 0.92: QD2 LEU 84 + QG2 ILE 80 OK 71 100 - 72 - 8356=20, 2.1/7402=16...(23) QD2 LEU 51 + QG2 ILE 80 OK 50 87 - 58 - 2.1/7403=16, 6932=8...(14) QG1 VAL 110 + QG2 ILE 80 OK 46 100 - 46 - 8345/3.2=6, 7426/3.2=5...(18) Peak 7408 from cnoeabs.peaks (3.84, 1.27, 19.03 ppm; 4.58 A): 5 out of 12 assignments used, quality = 0.98: HA LEU 77 + QG2 ILE 80 OK 59 100 - 59 - 6110/4.4=21, 6107/4.0=13...(11) HA THR 116 + QG2 ILE 80 OK 56 95 - 60 - 6109/2.1=7, 7411/3.2=7...(25) HA THR 19 + QG2 ILE 80 OK 52 100 - 52 - 3.0/8351=7, 6109/2.1=7...(23) HA LYS 119 + QG2 ILE 80 OK 48 97 - 49 - 3.0/8457=7, 6109/2.1=6...(19) HA GLU 15 + QG2 ILE 80 OK 44 99 - 45 - 6109/2.1=5, 7411/3.2=4...(17) HA THR 33 - QG2 ILE 80 OK 12 87 - 14 - 2.9/133=3, ~133=2, 6109/2.1=1 HB THR 33 - QG2 ILE 80 poor 9 85 - 11 - 4.0/133=3 HA3 GLY 88 - QG2 ILE 80 poor 8 60 - 13 - 4.3/7400=2, ~6126=1...(6) HA3 GLY 104 - QG2 ILE 80 lone 5 95 - 5 - HB2 SER 35 - QG2 ILE 80 lone 5 93 - 5 - HB3 SER 29 - QG2 ILE 80 lone 3 57 - 5 - HB2 SER 13 - QG2 ILE 80 lone 2 63 - 3 - Peak 7409 from cnoeabs.peaks (4.00, 1.27, 19.03 ppm; 4.54 A): 4 out of 5 assignments used, quality = 0.88: HA ARG 81 + QG2 ILE 80 OK 74 97 - 76 - ~5740=23, 2.9/389=16...(24) HA LEU 117 + QG2 ILE 80 OK 32 92 - 35 - 8005=8, 3.0/595=6...(10) HA PHE 107 + QG2 ILE 80 OK 23 100 - 23 - 5.6/7393=6, 1163/4.4=4...(7) HA THR 62 + QG2 ILE 80 OK 13 99 - 13 - 1163/4.4=4, 8060/8054=1 HA ALA 14 - QG2 ILE 80 lone 8 85 - 9 - Peak 7410 from cnoeabs.peaks (4.14, 1.27, 19.03 ppm; 3.21 A): 4 out of 12 assignments used, quality = 0.80: HA ALA 98 + QG2 ILE 80 OK 51 100 - 52 - 7671=15, 2.1/7665=10...(13) HA PHE 83 + QG2 ILE 80 OK 42 97 - 44 - 3.0/7464=6, 3.7/7392=5...(17) HA ILE 124 + QG2 ILE 80 OK 21 100 - 21 - 5340/3.2=2, 5339=2...(9) HA ASN 108 + QG2 ILE 80 OK 10 100 - 10 - 7671=3, 7671/3.2=1, 4.3/7393=1 HB3 SER 78 - QG2 ILE 80 lone 9 97 - 10 - 4.5/7371=3, ~7450=1 HA ILE 63 - QG2 ILE 80 lone 9 100 - 9 - 3.2/7402=2, ~6125=1 HB2 SER 113 - QG2 ILE 80 lone 8 92 - 9 - 7927/7391=2, 7927/7391=1 HA GLU 28 - QG2 ILE 80 lone 7 83 - 9 - HA PRO 37 - QG2 ILE 80 lone 7 100 - 7 - HB3 SER 72 - QG2 ILE 80 lone 5 100 - 5 - 7281/4.0=2, 4.5/7429=1 HA ARG 57 - QG2 ILE 80 lone 5 73 - 7 - 7671=1 HA3 GLY 25 - QG2 ILE 80 lone 4 73 - 5 - 3.6/7391=3 Peak 7411 from cnoeabs.peaks (3.83, 1.27, 14.08 ppm; 3.53 A): 5 out of 14 assignments used, quality = 0.88: HA LEU 77 + QD1 ILE 80 OK 45 100 - 45 - 4.0/7419=10, 4.0/7420=8...(9) HA THR 116 + QD1 ILE 80 OK 38 100 - 38 - 5121=4, 6109/3.2=4...(16) HA THR 19 + QD1 ILE 80 OK 33 97 - 34 - 3.0/2013=4, 5121=3...(15) HA LYS 119 + QD1 ILE 80 OK 30 100 - 30 - 3.0/8457=4, 3.6/8440=3...(9) HA GLU 15 + QD1 ILE 80 OK 24 89 - 27 - 1907/2.1=3, 6109/3.2=3...(11) HA3 GLY 88 - QD1 ILE 80 lone 6 85 - 6 - 3.0/7396=1, 4.3/8342=1 HA THR 33 - QD1 ILE 80 lone 5 63 - 8 - 2.9/133=2 HA2 GLY 88 - QD1 ILE 80 lone 5 76 - 6 - 3.0/7396=1, 4.3/8342=1 HB THR 33 - QD1 ILE 80 lone 4 60 - 6 - 4.0/133=2 HB2 SER 35 - QD1 ILE 80 lone 4 73 - 5 - 4.5/7396=2 HA3 GLY 104 - QD1 ILE 80 lone 3 76 - 4 - 7770/7396=1 HB3 SER 29 - QD1 ILE 80 lone 3 83 - 3 - HB2 SER 29 - QD1 ILE 80 lone 2 81 - 3 - HA3 GLY 39 - QD1 ILE 80 lone 2 68 - 3 - 3.6/7394=1 Peak 7412 from cnoeabs.peaks (4.05, 1.27, 14.08 ppm; 4.25 A): 7 out of 8 assignments used, quality = 0.94: HA TYR 102 + QD1 ILE 80 OK 76 100 - 76 - 3.0/7414=26, 3.6/7396=16...(15) HA LEU 55 + QD1 ILE 80 OK 32 98 - 33 - 7010=7, 3.0/247=5...(9) HA LYS 109 + QD1 ILE 80 OK 20 100 - 20 - 4693/7414=2, 6323=2...(7) HA GLN 16 + QD1 ILE 80 OK 20 92 - 22 - 6323=5, 6323/3.2=3...(7) HA SER 112 + QD1 ILE 80 OK 17 97 - 18 - 6226/4.9=6, 6227/2.1=3...(4) HD3 PRO 37 + QD1 ILE 80 OK 15 100 - 15 - 4.8/7396=3, 4.8/7416=2...(4) HA SER 44 + QD1 ILE 80 OK 14 83 - 17 - 3.6/7395=7, 6835/4.1=2 HA ALA 14 - QD1 ILE 80 lone 3 68 - 5 - Peak 7413 from cnoeabs.peaks (4.15, 1.27, 14.08 ppm; 4.53 A): 4 out of 12 assignments used, quality = 0.93: HA ALA 98 + QD1 ILE 80 OK 68 97 - 70 - 2.1/7665=13, 7671=12...(18) HA PHE 83 + QD1 ILE 80 OK 52 100 - 52 - 3.0/7464=10, 8354/2.1=10...(10) HA ILE 124 + QD1 ILE 80 OK 40 99 - 41 - 3.0/7395=7, 7410/3.2=4...(17) HA SER 78 + QD1 ILE 80 OK 23 83 - 28 - 3.6/7371=8, 8658/5744=7...(4) HB2 SER 113 - QD1 ILE 80 OK 18 100 - 18 - 7927/4711=2, 7927/4721=2...(7) HA ASN 108 - QD1 ILE 80 OK 17 100 - 17 - 7671=2, 7671/3.2=2...(4) HA GLU 28 - QD1 ILE 80 OK 17 97 - 17 - 3.0/7394=4, 7410/3.2=2...(4) HA PRO 37 - QD1 ILE 80 OK 17 100 - 17 - 3.6/7412=2, 7410/3.2=2 HA ILE 63 - QD1 ILE 80 OK 16 97 - 16 - 7410/3.2=2, 8513/3.2=2...(4) HB3 SER 78 - QD1 ILE 80 OK 15 81 - 18 - 4.5/7371=7, ~7450=2...(4) HB3 SER 72 - QD1 ILE 80 lone 8 98 - 8 - 7281/4.9=3, 7410/3.2=1 HA GLU 56 - QD1 ILE 80 lone 6 81 - 7 - 7437/5744=1, 1665/4.9=1 Peak 7414 from cnoeabs.peaks (3.04, 1.27, 14.08 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.58: HB2 TYR 102 + QD1 ILE 80 OK 58 100 - 58 - 2.5/7397=14, 4.6/7396=9...(14) HE3 LYS 109 - QD1 ILE 80 lone 8 95 - 9 - 4609/7397=1 HE2 LYS 109 - QD1 ILE 80 lone 8 95 - 9 - 4609/7397=1 HD2 ARG 85 - QD1 ILE 80 lone 3 100 - 3 - Peak 7415 from cnoeabs.peaks (2.96, 1.27, 14.08 ppm; 3.95 A): 0 out of 6 assignments used, low quality = 0.37: HB3 PHE 96 - QD1 ILE 80 OK 24 60 - 40 - 2.4/4711=12, 4.4/7397=8...(8) HA VAL 110 - QD1 ILE 80 OK 17 76 - 23 - 3.2/8345=6, ~7404=3...(6) HG3 GLU 82 - QD1 ILE 80 lone 8 96 - 8 - 4.1/8686=2, 8516/3.2=1, ~8515=1 HB2 ASN 12 - QD1 ILE 80 lone 5 73 - 7 - 3.5/7398=2 HE2 LYS 31 - QD1 ILE 80 lone 4 97 - 4 - HE3 LYS 31 - QD1 ILE 80 lone 4 97 - 4 - Peak 7416 from cnoeabs.peaks (2.83, 1.27, 14.08 ppm; 4.53 A): 7 out of 8 assignments used, quality = 0.74: HB2 ASN 79 + QD1 ILE 80 OK 31 95 - 33 - 4.5/4097=15, 3.9/7371=8...(5) HB2 CYS 76 + QD1 ILE 80 OK 23 97 - 24 - 4.7/7394=5, 8339=5...(7) HB2 ASN 99 + QD1 ILE 80 OK 19 97 - 20 - 4.1/7672=6, 3.0/8686=6...(4) HB3 PHE 107 + QD1 ILE 80 OK 16 93 - 17 - 4.4/7398=7, ~7409=2, ~4802=1 HB2 ASP 36 + QD1 ILE 80 OK 12 97 - 12 - 4.0/7396=4, 4.8/7412=2 HB2 TYR 67 + QD1 ILE 80 OK 10 98 - 11 - 379/4.9=3 HB3 TYR 67 + QD1 ILE 80 OK 10 98 - 11 - 379/4.9=3 HG CYS 52 - QD1 ILE 80 lone 2 78 - 3 - Peak 7417 from cnoeabs.peaks (1.60, 1.27, 14.08 ppm; 3.79 A): 7 out of 17 assignments used, quality = 0.93: HG LEU 101 + QD1 ILE 80 OK 56 81 - 70 - 2.1/7418=14, 2.1/7706=12...(19) HG3 ARG 81 + QD1 ILE 80 OK 29 87 - 34 - 4.9/5744=14, 2.9/7438=4...(13) HG2 ARG 81 + QD1 ILE 80 OK 29 87 - 34 - 4.9/5744=14, 2.9/7438=4...(13) HD3 LYS 32 + QD1 ILE 80 OK 25 96 - 26 - 3.5/2510=3, 3.5/2500=3...(9) HD2 LYS 32 + QD1 ILE 80 OK 25 96 - 26 - 3.5/2510=3, 3.5/2500=3...(9) HD3 LYS 119 + QD1 ILE 80 OK 24 100 - 24 - 3.7/8457=4, 3.7/8456=3...(7) HD2 LYS 119 + QD1 ILE 80 OK 24 100 - 24 - 3.7/8457=4, 3.7/8456=3...(7) HG2 PRO 30 - QD1 ILE 80 OK 23 92 - 25 - 2.3/4101=3, 2.3/8456=2...(7) HB2 LEU 59 - QD1 ILE 80 OK 16 68 - 23 - 3.2/4102=3, 3.0/8342=3...(12) HG12 ILE 63 - QD1 ILE 80 lone 7 100 - 7 - 3.7/7413=1 HG LEU 126 - QD1 ILE 80 lone 7 100 - 7 - 2.1/4102=1 HB2 LEU 126 - QD1 ILE 80 lone 7 100 - 7 - HB3 LEU 126 - QD1 ILE 80 lone 7 100 - 7 - HG2 ARG 53 - QD1 ILE 80 lone 7 96 - 7 - HD3 LYS 31 - QD1 ILE 80 lone 6 76 - 7 - 3.0/7415=2, 3.0/7415=2 HD2 LYS 31 - QD1 ILE 80 lone 6 76 - 7 - 3.0/7415=2, 3.0/7415=2 HG2 ARG 57 - QD1 ILE 80 lone 5 87 - 6 - Peak 7418 from cnoeabs.peaks (1.02, 1.27, 14.08 ppm; 3.19 A): 6 out of 6 assignments used, quality = 0.92: QD2 LEU 101 + QD1 ILE 80 OK 65 97 - 67 - 7714=16, 8444/2.1=10...(20) QG1 VAL 120 + QD1 ILE 80 OK 41 98 - 41 - 8048=12, 2.1/8054=7...(11) QD1 LEU 58 + QD1 ILE 80 OK 26 83 - 32 - 7063=5, 8347/2.1=4...(13) HB3 LEU 27 + QD1 ILE 80 OK 19 92 - 21 - 8347/2.1=2, 7401/3.2=2...(7) QD2 LEU 58 + QD1 ILE 80 OK 18 63 - 29 - 2.1/7063=5, 8347/2.1=3...(12) HB3 LEU 21 + QD1 ILE 80 OK 18 63 - 28 - 3.1/8344=7, 1.8/4099=3...(8) Peak 7419 from cnoeabs.peaks (0.57, 1.27, 14.08 ppm; 3.28 A): 3 out of 4 assignments used, quality = 0.71: QD2 LEU 77 + QD1 ILE 80 OK 49 100 - 49 - 2.1/7420=10, 7424/3.2=8...(17) QD2 LEU 45 + QD1 ILE 80 OK 25 90 - 28 - 2.1/8344=8, 4.7/7395=3...(10) QG1 VAL 50 + QD1 ILE 80 OK 24 100 - 25 - 7424/3.2=4, 8535/2.1=3...(5) HG12 ILE 34 - QD1 ILE 80 lone 8 83 - 10 - Peak 7420 from cnoeabs.peaks (0.69, 1.27, 14.08 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.76: QD1 LEU 77 + QD1 ILE 80 OK 55 100 - 55 - 2.1/7419=21, ~7424=9...(14) QD2 LEU 54 + QD1 ILE 80 OK 45 87 - 52 - 2.1/3209=8, 3.1/3195=6...(18) QG1 VAL 66 - QD1 ILE 80 lone 9 99 - 9 - HG3 GLU 75 - QD1 ILE 80 lone 7 93 - 8 - 4024/7419=1 QD2 LEU 24 - QD1 ILE 80 poor 7 68 - 10 - 7064/7063=1, 6463/3209=1 Peak 7421 from cnoeabs.peaks (1.43, 3.64, 66.48 ppm; 4.77 A): 3 out of 13 assignments used, quality = 0.96: QB ALA 98 + HA ILE 80 OK 71 99 - 71 - 7659/3.6=19, 7665/3.2=13...(15) HB3 LEU 101 + HA ILE 80 OK 68 97 - 70 - 3.1/7702=13, 3.1/7422=12...(16) HB2 LEU 51 + HA ILE 80 OK 61 98 - 62 - 3.1/7423=16, 3.1/7426=10...(14) QB ALA 89 - HA ILE 80 OK 29 97 - 30 - 7659/3.6=5, 7406/3.0=4...(11) HB3 LEU 91 - HA ILE 80 OK 23 100 - 23 - 7400/3.2=3, ~8368=3...(9) HG LEU 59 - HA ILE 80 OK 18 65 - 28 - 2.1/4067=4, 7425/3.0=3...(12) HD2 LYS 46 - HA ILE 80 OK 17 60 - 28 - 1.8/2980=4, 3.5/2930=4...(9) HB3 LEU 45 - HA ILE 80 OK 15 81 - 19 - 4.0/1608=5, 4.3/972=4...(4) QB ALA 122 - HA ILE 80 OK 12 90 - 13 - 7659/3.6=3, 7400/3.2=2...(5) HD2 LYS 65 - HA ILE 80 lone 8 93 - 8 - HD3 LYS 65 - HA ILE 80 lone 8 93 - 8 - HG LEU 24 - HA ILE 80 lone 5 81 - 7 - ~8204=1, ~8208=1 HB3 GLU 75 - HA ILE 80 lone 5 81 - 6 - 7406/3.0=2 Peak 7422 from cnoeabs.peaks (1.02, 3.64, 66.48 ppm; 4.51 A): 4 out of 6 assignments used, quality = 0.94: QD2 LEU 101 + HA ILE 80 OK 79 97 - 81 - 7716=15, 7401/3.2=15...(23) QG1 VAL 120 + HA ILE 80 OK 42 98 - 43 - 8048/3.2=10, 8048/4.1=8...(10) HB3 LEU 27 + HA ILE 80 OK 32 92 - 34 - 7401/3.2=4, 8347/4.0=4...(17) QD1 LEU 58 + HA ILE 80 OK 30 83 - 36 - 7063/3.2=6, 7063/4.1=5...(12) QD2 LEU 58 - HA ILE 80 OK 20 63 - 31 - ~7063=5, 8347/4.0=4...(12) HB3 LEU 21 - HA ILE 80 OK 15 63 - 24 - 7401/3.2=4, 7418/4.1=3...(10) Peak 7423 from cnoeabs.peaks (0.61, 3.64, 66.48 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.75: QD1 LEU 51 + HA ILE 80 OK 48 96 - 50 - 7403/3.2=13, 2.1/7426=9...(16) QG1 VAL 26 + HA ILE 80 OK 34 100 - 34 - 7403/3.2=10, 7405/3.0=6...(10) QG2 VAL 26 + HA ILE 80 OK 29 92 - 31 - 7403/3.2=9, ~7403=6...(9) Peak 7424 from cnoeabs.peaks (0.57, 1.92, 39.17 ppm; 4.48 A): 3 out of 4 assignments used, quality = 0.83: QD2 LEU 77 + HB ILE 80 OK 67 100 - 67 - 7342/4.4=19, 7419/3.2=18...(13) QG1 VAL 50 + HB ILE 80 OK 33 98 - 33 - 7419/3.2=9, 8346/3.0=6...(8) QD2 LEU 45 + HB ILE 80 OK 23 81 - 29 - 7419/3.2=9, ~8344=8...(6) HG12 ILE 34 - HB ILE 80 poor 7 71 - 11 - 7419/3.2=3, ~8489=1...(4) Peak 7425 from cnoeabs.peaks (1.42, 1.92, 39.17 ppm; 4.17 A): 4 out of 12 assignments used, quality = 0.95: QB ALA 98 + HB ILE 80 OK 69 100 - 70 - 7665/2.1=14, 7659/4.4=13...(16) HB3 LEU 101 + HB ILE 80 OK 59 83 - 71 - 7400/2.1=10, ~8514=8...(23) HB2 LEU 51 + HB ILE 80 OK 48 100 - 48 - ~7403=8, 7400/2.1=7...(13) HG LEU 59 + HB ILE 80 OK 30 89 - 33 - 2.1/4074=4, 7400/2.1=3...(16) HB2 LEU 27 - HB ILE 80 OK 24 78 - 30 - ~7401=3, 7400/2.1=3...(14) HB VAL 110 - HB ILE 80 OK 21 71 - 29 - ~7404=7, ~8345=4...(9) QB ALA 89 - HB ILE 80 OK 20 81 - 24 - 7659/4.4=3, 7563=3...(10) HB3 LEU 91 - HB ILE 80 OK 16 97 - 17 - 7400/2.1=3, ~8368=3...(7) QB ALA 122 - HB ILE 80 OK 13 99 - 13 - 7400/2.1=2, 7659/4.4=2...(4) HB2 LEU 111 - HB ILE 80 OK 11 60 - 18 - ~7402=3, 7400/2.1=2...(7) HD3 LYS 65 - HB ILE 80 lone 5 73 - 6 - HD2 LYS 65 - HB ILE 80 lone 5 73 - 6 - Peak 7426 from cnoeabs.peaks (0.14, 3.64, 66.48 ppm; 5.06 A): 3 out of 3 assignments used, quality = 0.95: QD2 LEU 84 + HA ILE 80 OK 71 99 - 72 - 7404/3.2=17, 8356/4.1=12...(21) QD2 LEU 51 + HA ILE 80 OK 64 95 - 68 - 2.1/7423=20, 7404/3.2=12...(16) QG1 VAL 110 + HA ILE 80 OK 50 99 - 50 - 7404/3.2=11, 8345/4.1=8...(16) Peak 7427 from cnoeabs.peaks (2.86, 3.64, 66.48 ppm; 4.98 A): 7 out of 10 assignments used, quality = 0.83: HB2 ASN 79 + HA ILE 80 OK 41 89 - 46 - 379/3.0=14, ~380=13...(9) HE3 LYS 119 + HA ILE 80 OK 26 100 - 26 - 8606/3.2=4, 8606/4.1=3...(12) HE2 LYS 119 + HA ILE 80 OK 26 100 - 26 - 8606/3.2=4, 8606/4.1=3...(12) HB2 ASN 99 + HA ILE 80 OK 17 85 - 20 - 4621/4.9=5, 379/3.0=4...(6) HB3 TYR 67 + HA ILE 80 OK 15 81 - 19 - 379/3.0=4, 4046/4.9=4...(5) HB2 TYR 67 + HA ILE 80 OK 15 81 - 19 - 379/3.0=4, 4046/4.9=4...(5) HB3 PHE 107 + HA ILE 80 OK 13 90 - 14 - 4.4/4783=3, ~7409=3...(6) HB2 ASP 36 - HA ILE 80 lone 5 85 - 6 - HG CYS 52 - HA ILE 80 lone 4 99 - 4 - HB3 ASN 12 - HA ILE 80 lone 3 73 - 4 - ~7393=1 Peak 7428 from cnoeabs.peaks (3.54, 1.27, 19.03 ppm; 4.58 A): 5 out of 6 assignments used, quality = 0.85: HB2 PHE 96 + QG2 ILE 80 OK 49 81 - 61 - 2.4/7391=19, 4.4/7391=12...(12) HB2 PHE 83 + QG2 ILE 80 OK 48 83 - 58 - 2.5/7392=13, 6128/3.2=11...(10) HA LEU 51 + QG2 ILE 80 OK 29 71 - 41 - 4.0/7403=13, 4.0/7404=9...(9) HB2 ASP 47 + QG2 ILE 80 OK 14 99 - 14 - 4.2/6878=9, ~8686=1 HA ASN 118 + QG2 ILE 80 OK 10 93 - 11 - ~1785=1, ~6245=1 HD2 PRO 60 - QG2 ILE 80 lone 7 92 - 8 - 7091/3.2=1, ~7089=1 Peak 7429 from cnoeabs.peaks (9.20, 1.27, 19.03 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.82: H ALA 98 + QG2 ILE 80 OK 68 98 - 70 - 7660=16, 2.9/7665=14...(19) H ASP 97 + QG2 ILE 80 OK 34 99 - 34 - 4.4/7391=13, 4.6/7660=8...(8) H GLU 73 + QG2 ILE 80 OK 14 60 - 24 - 4.1/7438=4, ~3909=3...(9) Peak 7433 from cnoeabs.peaks (0.75, 3.99, 60.41 ppm; 3.54 A): 6 out of 8 assignments used, quality = 0.91: QD1 LEU 84 + HA ARG 81 OK 67 100 - 68 - 7489=16, 3.1/6136=13...(22) QG2 ILE 63 + HA ARG 81 OK 43 96 - 45 - 3512/3.6=7, 4.0/289=5...(15) HG LEU 111 + HA ARG 81 OK 20 100 - 20 - 7602=3, 7431/2.9=2...(5) QD2 LEU 93 + HA ARG 81 OK 17 99 - 17 - 2.1/7607=4, 7602=3...(4) QD2 LEU 111 + HA ARG 81 OK 15 90 - 17 - 7602=2, 2.1/7602=2...(4) QD1 LEU 91 + HA ARG 81 OK 11 100 - 11 - 3.1/7435=2 QG2 VAL 66 - HA ARG 81 poor 9 73 - 12 - 7456/3.6=3, 7195/4.9=2 QD1 LEU 114 - HA ARG 81 lone 6 71 - 8 - 7489=1 Peak 7434 from cnoeabs.peaks (0.14, 3.99, 60.41 ppm; 4.70 A): 3 out of 3 assignments used, quality = 0.93: QD2 LEU 84 + HA ARG 81 OK 84 100 - 84 - 3.1/6136=21, 7490=17...(23) QG1 VAL 110 + HA ARG 81 OK 44 100 - 44 - 7880=11, 2.1/7868=6...(17) QD2 LEU 51 + HA ARG 81 OK 23 87 - 26 - 3.1/7435=6, 3095/3.6=3...(9) Peak 7435 from cnoeabs.peaks (1.42, 3.99, 60.41 ppm; 4.48 A): 5 out of 13 assignments used, quality = 0.69: QB ALA 98 + HA ARG 81 OK 42 100 - 42 - 7659/2.9=19, 8536/3.0=7...(8) HB2 LEU 51 + HA ARG 81 OK 23 100 - 23 - 3.1/7434=4, 7436/2.9=4...(7) QB ALA 89 + HA ARG 81 OK 12 90 - 14 - 7659/2.9=5, 8536/3.0=2 HB3 LEU 91 + HA ARG 81 OK 12 100 - 12 - 3.1/7433=2, 7436/2.9=2 HB3 LEU 101 + HA ARG 81 OK 11 92 - 12 - 7436/2.9=4, 8536/3.0=2...(5) QB ALA 122 - HA ARG 81 lone 8 97 - 8 - 7659/2.9=3, 8536/3.0=1 HB2 LEU 27 - HA ARG 81 poor 8 65 - 12 - 4.3/6133=3, 2270/4.9=1 HG LEU 59 - HA ARG 81 lone 3 78 - 4 - HB3 GLU 75 - HA ARG 81 lone 3 68 - 5 - HD2 LYS 65 - HA ARG 81 lone 3 85 - 4 - HD3 LYS 65 - HA ARG 81 lone 3 85 - 4 - HB3 LEU 45 - HA ARG 81 lone 3 68 - 5 - ~7432=1 HG LEU 24 - HA ARG 81 lone 3 68 - 4 - Peak 7438 from cnoeabs.peaks (1.26, 1.91, 29.62 ppm; 4.68 A): 4 out of 14 assignments used, quality = 0.97: QG2 ILE 80 + HB2 ARG 81 OK 68 100 - 68 - 4.4/4112=24, 7409/3.0=17...(21) QD1 ILE 80 + HB2 ARG 81 OK 64 100 - 64 - 5744/4.0=27, ~7409=8...(20) QG2 ILE 80 + HB3 GLU 73 OK 52 99 - 53 - 4.4/4112=7, 4080/1.8=5...(27) QD1 ILE 80 + HB3 GLU 73 OK 48 99 - 49 - 4101/1.8=4, 2.1/3920=4...(25) QG2 THR 116 - HB2 ARG 81 OK 26 100 - 26 - 8605/3.0=7, 7990=4...(6) HG LEU 54 - HB3 GLU 73 OK 24 85 - 28 - 2.1/7439=7, 3.7/3919=4...(9) HG LEU 54 - HB2 ARG 81 lone 8 87 - 9 - 2.1/7439=2, 2.1/6989=1 QG2 THR 19 - HB2 ARG 81 lone 7 99 - 7 - 386/4.0=2, 6376=2 HG13 ILE 124 - HB2 ARG 81 lone 6 71 - 8 - 4.0/7450=1 QG2 THR 116 - HB3 GLU 73 lone 5 99 - 5 - HG13 ILE 124 - HB3 GLU 73 lone 4 69 - 6 - 5939/4.2=3 QG2 THR 19 - HB3 GLU 73 lone 4 98 - 4 - 6376=1 HG3 LYS 32 - HB2 ARG 81 lone 4 100 - 4 - HG3 LYS 32 - HB3 GLU 73 lone 3 99 - 3 - Peak 7439 from cnoeabs.peaks (0.71, 1.91, 29.62 ppm; 4.55 A): 5 out of 12 assignments used, quality = 0.71: QD1 LEU 77 + HB3 GLU 73 OK 35 69 - 52 - 7297/4.2=9, ~8739=8...(13) QD2 LEU 54 + HB3 GLU 73 OK 26 98 - 26 - 2.1/6989=3, ~3206=3...(10) HG3 GLU 75 + HB3 GLU 73 OK 25 95 - 27 - 7297/4.2=5, 3.0/8536=3...(15) QD2 LEU 111 + HB2 ARG 81 OK 11 85 - 13 - ~7433=3, ~7602=1...(4) QG1 VAL 66 + HB2 ARG 81 OK 11 87 - 12 - 7184/3.5=2, ~7189=2...(4) QD1 LEU 114 - HB2 ARG 81 lone 7 97 - 8 - QD2 LEU 54 - HB2 ARG 81 lone 7 99 - 7 - 2.1/6989=1 QD1 LEU 77 - HB2 ARG 81 poor 7 71 - 10 - 2.1/7347=4, 4.0/6108=3 QG1 VAL 66 - HB3 GLU 73 lone 6 85 - 7 - 7297/4.2=2 QD1 LEU 114 - HB3 GLU 73 lone 6 96 - 6 - 5897/4.2=1 HG3 GLU 75 - HB2 ARG 81 lone 5 97 - 5 - QD2 LEU 111 - HB3 GLU 73 lone 2 83 - 3 - Peak 7440 from cnoeabs.peaks (0.75, 1.58, 29.66 ppm; 4.73 A): 4 out of 16 assignments used, quality = 0.98: QG2 ILE 63 + HG3 ARG 81 OK 69 96 - 73 - 7433/4.0=8, 7144/3.0=6...(41) QG2 ILE 63 + HG2 ARG 81 OK 69 96 - 73 - 7433/4.0=8, 7144/3.0=6...(41) QD1 LEU 84 + HG2 ARG 81 OK 54 100 - 54 - 7433/4.0=13, 8517/1.8=7...(17) QD1 LEU 84 + HG3 ARG 81 OK 54 100 - 54 - 7433/4.0=13, 8517/1.8=7...(17) HG LEU 111 - HG3 ARG 81 OK 14 100 - 14 - 7433/4.0=4, 7431/4.9=2...(4) HG LEU 111 - HG2 ARG 81 OK 14 100 - 14 - 7433/4.0=4, 7431/4.9=2...(4) QG2 VAL 66 - HG3 ARG 81 OK 12 73 - 16 - 7189/3.0=2, ~7184=2...(7) QG2 VAL 66 - HG2 ARG 81 OK 12 73 - 16 - 7189/3.0=2, ~7184=2...(7) QD2 LEU 93 - HG3 ARG 81 lone 10 99 - 10 - 7433/4.0=3, 7431/4.9=2 QD2 LEU 93 - HG2 ARG 81 lone 10 99 - 10 - 7433/4.0=3, 7431/4.9=2 QD2 LEU 111 - HG3 ARG 81 poor 9 90 - 10 - 7433/4.0=3 QD2 LEU 111 - HG2 ARG 81 poor 9 90 - 10 - 7433/4.0=3 QD1 LEU 91 - HG2 ARG 81 lone 7 100 - 7 - 7433/4.0=2, 7431/4.9=1 QD1 LEU 91 - HG3 ARG 81 lone 7 100 - 7 - 7433/4.0=2, 7431/4.9=1 QD1 LEU 114 - HG3 ARG 81 lone 5 71 - 7 - 7433/4.0=1 QD1 LEU 114 - HG2 ARG 81 lone 5 71 - 7 - 7433/4.0=1 Peak 7441 from cnoeabs.peaks (3.50, 3.99, 60.41 ppm; 5.07 A): 3 out of 5 assignments used, quality = 0.92: HA LEU 84 + HA ARG 81 OK 83 100 - 83 - 3.0/6136=24, 2.9/6133=22...(16) HB2 PHE 83 + HA ARG 81 OK 46 92 - 51 - 4.5/6133=17, 1.8/4110=9...(16) HB2 PHE 96 + HA ARG 81 OK 18 93 - 19 - 4261/7434=3, 4247/6136=2...(11) HA VAL 18 - HA ARG 81 lone 7 78 - 9 - 6357/6136=1, 3.2/6362=1 HB3 SER 44 - HA ARG 81 lone 5 100 - 5 - Peak 7442 from cnoeabs.peaks (4.16, 1.58, 29.66 ppm; 5.03 A): 5 out of 26 assignments used, quality = 0.97: HA GLU 56 + HG2 ARG 81 OK 51 97 - 53 - 6114/2.9=8, 3263/2.9=5...(27) HA GLU 56 + HG3 ARG 81 OK 51 97 - 53 - 6114/2.9=8, 3263/2.9=5...(27) HA ILE 63 + HG2 ARG 81 OK 51 83 - 62 - 3.2/7440=7, ~5746=5...(25) HA ILE 63 + HG3 ARG 81 OK 51 83 - 62 - 3.2/7440=7, ~5746=5...(25) HA PHE 83 + HG3 ARG 81 OK 43 97 - 45 - 4193/3.0=8, 6114/2.9=7...(14) HA PHE 83 - HG2 ARG 81 OK 43 97 - 45 - 4193/3.0=8, 6114/2.9=7...(14) HA SER 78 - HG3 ARG 81 OK 36 97 - 37 - 8658/4.9=20, 7450/2.9=9...(4) HA SER 78 - HG2 ARG 81 OK 36 97 - 37 - 8658/4.9=20, 7450/2.9=9...(4) HA ALA 98 - HG3 ARG 81 OK 17 81 - 21 - ~8361=7, ~8536=6...(5) HA ALA 98 - HG2 ARG 81 OK 17 81 - 21 - ~8361=7, ~8536=6...(5) HA GLU 28 - HG2 ARG 81 OK 14 100 - 14 - 6114/2.9=4, 7437/4.9=2...(4) HA GLU 28 - HG3 ARG 81 OK 14 100 - 14 - 6114/2.9=4, 7437/4.9=2...(4) HA ILE 124 - HG2 ARG 81 OK 12 89 - 14 - 8658/4.9=3, 7450/2.9=2 HA ILE 124 - HG3 ARG 81 OK 12 89 - 14 - 8658/4.9=3, 7450/2.9=2 HA ARG 92 - HG3 ARG 81 OK 10 63 - 16 - 6114/2.9=2, 7437/4.9=1...(6) HA ARG 92 - HG2 ARG 81 OK 10 63 - 16 - 6114/2.9=2, 7437/4.9=1...(6) HA PRO 37 - HG3 ARG 81 lone 8 92 - 8 - 6114/2.9=1, 2668/2.9=1 HA PRO 37 - HG2 ARG 81 lone 8 92 - 8 - 6114/2.9=1, 2668/2.9=1 HA ASN 108 - HG2 ARG 81 lone 5 92 - 5 - ~539=2 HA ASN 108 - HG3 ARG 81 lone 5 92 - 5 - ~539=2 HB2 SER 113 - HG2 ARG 81 lone 5 100 - 5 - HB2 SER 113 - HG3 ARG 81 lone 5 100 - 5 - HA PRO 68 - HG3 ARG 81 lone 2 60 - 3 - HA PRO 68 - HG2 ARG 81 lone 2 60 - 3 - HB3 SER 72 - HG3 ARG 81 lone 2 85 - 2 - HB3 SER 72 - HG2 ARG 81 lone 2 85 - 2 - Peak 7443 from cnoeabs.peaks (4.19, 3.20, 43.31 ppm; 4.23 A): 6 out of 44 assignments used, quality = 0.66: HA GLU 56 + HD2 ARG 81 OK 23 73 - 32 - 6114/3.5=3, 3.0/4126=3...(15) HA ARG 92 + HD2 ARG 53 OK 18 55 - 34 - 8430/3.0=6, 8429/1.8=5...(15) HA VAL 26 + HD2 ARG 53 OK 16 29 - 56 - ~6972=12, 8690=11...(15) HA SER 78 + HD2 ARG 81 OK 14 71 - 20 - 8658/5.9=8, 7450/3.5=4...(5) HA ARG 92 + HD2 ARG 81 OK 13 99 - 13 - 4420/1.8=2 HA CYS 52 + HD2 ARG 53 OK 12 28 - 42 - 3.6/1015=9, 8429/1.8=7...(15) HA GLU 56 - HD2 ARG 53 poor 8 35 - 24 - 8430/3.0=5, 7022/3.0=3...(10) HA LEU 126 - HD2 ARG 53 poor 8 47 - 17 - 8429/1.8=4, ~3173=2...(8) HA VAL 66 - HD2 ARG 81 lone 8 78 - 10 - ~7189=2, ~7184=1...(4) HA VAL 26 - HD2 ARG 81 poor 7 63 - 11 - ~6507=2, 8690=2, ~8220=1 HA VAL 66 - HD2 ARG 53 poor 7 38 - 19 - 8429/1.8=3, ~7184=3...(7) HA CYS 52 - HD2 ARG 81 lone 6 60 - 10 - 3.6/1015=1, 3112/1.8=1, ~3116=1 HA SER 13 - HD2 ARG 53 poor 6 37 - 16 - 8690=3, 8689/1.8=3...(5) HA ILE 22 - HD2 ARG 53 poor 4 37 - 12 - 8429/1.8=3, 8427/3.6=2...(5) HA LEU 126 - HD2 ARG 81 lone 4 90 - 4 - HA ILE 22 - HD2 ARG 81 lone 4 76 - 5 - HA PRO 68 - HD2 ARG 53 lone 3 56 - 6 - 8430/3.0=1, 8429/1.8=1 HA VAL 26 - HD3 ARG 71 poor 3 28 - 11 - 8690=2 HA VAL 26 - HD2 ARG 71 poor 2 24 - 10 - 8690/1.8=2 HA VAL 66 - HD3 ARG 71 lone 2 37 - 6 - HA3 GLY 61 - HD2 ARG 81 lone 2 100 - 2 - HA PRO 68 - HD2 ARG 81 lone 2 99 - 2 - HA SER 13 - HD2 ARG 81 lone 2 76 - 2 - HA VAL 66 - HD2 ARG 71 lone 2 32 - 5 - HA3 GLY 61 - HD2 ARG 53 lone 2 57 - 3 - HA CYS 52 - HD3 ARG 71 lone 2 27 - 6 - 3.6/1015=3 HA GLU 56 - HD3 ARG 71 lone 1 34 - 4 - HA ARG 92 - HD3 ARG 71 lone 1 54 - 2 - HA PRO 68 - HD3 ARG 71 lone 1 54 - 2 - HA GLU 56 - HD2 ARG 71 lone 1 29 - 4 - HA PRO 68 - HD2 ARG 71 lone 1 47 - 2 - HA SER 13 - HD3 ARG 71 lone 1 36 - 3 - HA ARG 92 - HD2 ARG 71 lone 1 46 - 2 - HA SER 78 - HD3 ARG 71 lone 1 33 - 2 - HA SER 13 - HD2 ARG 71 lone 1 30 - 2 - HA ILE 22 - HD3 ARG 71 lone 1 36 - 2 - HA SER 78 - HD2 ARG 71 lone 1 28 - 2 - HA LEU 126 - HD3 ARG 71 lone 1 45 - 1 - HA ILE 22 - HD2 ARG 71 lone 1 30 - 2 - HA3 GLY 61 - HD3 ARG 71 lone 0 56 - 1 - HA CYS 52 - HD2 ARG 71 lone 0 23 - 2 - HA SER 78 - HD2 ARG 53 lone 0 34 - 1 - HA3 GLY 61 - HD2 ARG 71 lone 0 48 - 1 - HA LEU 126 - HD2 ARG 71 lone 0 39 - 1 - Peak 7444 from cnoeabs.peaks (7.21, 2.52, 35.00 ppm; 4.77 A): 4 out of 6 assignments used, quality = 0.90: H LYS 65 + HG2 GLU 82 OK 80 100 - 80 - 7162/1.8=41, 7163=23...(12) QD TYR 102 + HG2 GLU 82 OK 33 96 - 34 - 7445/1.8=7, 4741=5...(11) QD TYR 67 + HG2 GLU 82 OK 17 97 - 18 - 7445/1.8=4, 7125/8649=3...(7) QE PHE 40 + HG2 GLU 82 OK 12 98 - 12 - 7445/1.8=3, 7125/8649=1 QD PHE 107 - HG2 GLU 82 poor 10 76 - 13 - 7445/1.8=3, 7125/8649=2...(5) HE ARG 81 - HG2 GLU 82 lone 4 60 - 7 - 5.0/8515=2, 7130/8648=2 Peak 7445 from cnoeabs.peaks (7.21, 2.95, 35.00 ppm; 4.71 A): 4 out of 6 assignments used, quality = 0.88: H LYS 65 + HG3 GLU 82 OK 79 100 - 79 - 7162=42, 4.6/8437=21...(13) QD TYR 102 + HG3 GLU 82 OK 25 96 - 26 - 7444/1.8=8, 4739/4.1=3...(9) QD TYR 67 + HG3 GLU 82 OK 16 97 - 17 - 7444/1.8=4, 7125/7143=3...(6) QE PHE 40 + HG3 GLU 82 OK 11 98 - 11 - 7444/1.8=3, 7125/7143=1 QD PHE 107 - HG3 GLU 82 poor 9 76 - 12 - 7444/1.8=2, 7125/7143=2...(4) HE ARG 81 - HG3 GLU 82 lone 4 60 - 7 - 5.0/8516=2, 7130/7150=2 Peak 7446 from cnoeabs.peaks (7.21, 2.34, 28.65 ppm; 5.21 A): 3 out of 18 assignments used, quality = 0.93: H LYS 65 + HB2 GLU 82 OK 69 99 - 70 - 7162/3.0=38, 7444/3.0=19...(7) H LYS 65 + HB3 GLU 82 OK 69 99 - 70 - 7162/3.0=38, 7444/3.0=19...(7) QD TYR 67 + HG2 PRO 70 OK 30 97 - 32 - ~7461=5, ~7255=5...(9) QD TYR 102 - HB3 GLU 82 OK 27 89 - 30 - 7444/3.0=8, 7445/3.0=7...(8) QD TYR 102 - HB2 GLU 82 OK 27 89 - 30 - 7444/3.0=8, 7445/3.0=7...(8) QD PHE 107 - HG2 PRO 70 OK 24 82 - 29 - 4772/3.8=5, 4800/2.3=3...(11) QD TYR 67 - HB3 GLU 82 OK 17 99 - 17 - 7445/3.0=4, 7444/3.0=4 QD TYR 67 - HB2 GLU 82 OK 17 99 - 17 - 7445/3.0=4, 7444/3.0=4 H LYS 65 - HG2 PRO 70 OK 14 96 - 15 - 7164=3, 304/2.3=2, 7162/4177=2 QD PHE 107 - HB2 GLU 82 OK 10 87 - 12 - 7445/3.0=2, 7444/3.0=2 QD PHE 107 - HB3 GLU 82 OK 10 87 - 12 - 7445/3.0=2, 7444/3.0=2 QE PHE 40 - HB3 GLU 82 lone 9 93 - 10 - 7445/3.0=3, 7444/3.0=3 QE PHE 40 - HB2 GLU 82 lone 9 93 - 10 - 7445/3.0=3, 7444/3.0=3 QD TYR 102 - HG2 PRO 70 lone 7 84 - 9 - 4.7/1286=1 QE PHE 40 - HG2 PRO 70 lone 6 89 - 7 - 6350/1998=2 HE ARG 81 - HB2 GLU 82 lone 3 73 - 5 - 7445/3.0=1 HE ARG 81 - HB3 GLU 82 lone 3 73 - 5 - 7445/3.0=1 HE ARG 81 - HG2 PRO 70 lone 3 69 - 4 - Peak 7449 from cnoeabs.peaks (2.06, 4.17, 62.18 ppm; 4.67 A): 8 out of 30 assignments used, quality = 0.80: HB3 ARG 81 + HA SER 78 OK 44 99 - 44 - 4.0/8658=22, 1.8/7450=9...(9) HB ILE 63 + HA ILE 124 OK 20 62 - 32 - 3511/3.2=3, 3.2/3534=3...(19) HB3 GLU 38 + HA SER 78 OK 15 100 - 15 - 4.4/4032=3, ~6009=3...(6) HB2 LEU 114 + HA SER 78 OK 14 78 - 18 - 3.0/4034=3, ~1147=2...(7) HB2 GLN 105 + HA SER 78 OK 13 89 - 14 - 8674/3.6=4, 4770/2.9=2...(6) HG3 PRO 37 + HA SER 78 OK 12 97 - 12 - 3.8/4035=1 HB ILE 63 + HA SER 78 OK 12 100 - 12 - 1165/8658=2, 3.0/4035=1 HB2 ARG 57 + HA SER 78 OK 12 96 - 12 - 3.7/258=1, 1165/8658=1 HB2 GLU 56 - HA SER 78 poor 9 83 - 11 - 4120/8658=2, 6116=1, 1.8/3274=1 HG3 PRO 70 - HA SER 78 lone 8 85 - 9 - 2.3/8322=2, ~6095=1...(4) HB3 ARG 81 - HA ILE 124 poor 7 59 - 12 - 4.0/8658=3, 1.8/7450=2 HB2 ARG 57 - HA ILE 124 poor 6 56 - 11 - ~7037=2 HG3 PRO 60 - HA ILE 124 poor 6 53 - 11 - ~3434=1, ~3441=1...(4) HG2 GLU 64 - HA SER 78 lone 4 96 - 5 - HG3 PRO 37 - HA ILE 124 lone 4 58 - 7 - HB2 LEU 114 - HA ILE 124 lone 4 42 - 10 - 4.0/578=2 HB2 GLU 56 - HA ILE 124 lone 4 45 - 9 - HG3 PRO 60 - HA SER 78 lone 3 93 - 3 - HG2 GLU 64 - HA ILE 124 lone 3 56 - 5 - 5.0/293=1 HB3 GLU 38 - HA ILE 124 lone 3 62 - 4 - HB2 GLU 15 - HA SER 78 lone 2 65 - 3 - ~367=1 HG LEU 21 - HA SER 78 lone 2 76 - 2 - HB2 GLN 16 - HA SER 78 lone 2 85 - 2 - HB3 GLN 16 - HA SER 78 lone 1 83 - 2 - HG3 PRO 70 - HA ILE 124 lone 1 46 - 3 - HB2 GLN 105 - HA ILE 124 lone 1 49 - 2 - HG LEU 21 - HA ILE 124 lone 1 40 - 2 - HB2 GLN 16 - HA ILE 124 lone 1 46 - 2 - HB3 GLN 16 - HA ILE 124 lone 1 45 - 2 - HB2 GLU 15 - HA ILE 124 lone 1 34 - 2 - Peak 7450 from cnoeabs.peaks (1.91, 4.17, 62.18 ppm; 4.43 A): 3 out of 30 assignments used, quality = 0.67: HB2 ARG 81 + HA SER 78 OK 43 100 - 43 - 4.0/8658=19, 6114=8...(9) HB ILE 80 + HA SER 78 OK 31 92 - 33 - 4.4/8658=18, 3.9/1665=6...(7) HB ILE 80 + HA ILE 124 OK 16 52 - 30 - ~7395=3, 3.2/7413=3...(15) HB2 GLU 28 - HA SER 78 lone 8 100 - 8 - 3.8/882=1, 2311=1 HB2 LEU 84 - HA SER 78 lone 8 100 - 8 - 1164/8658=2, 4.0/405=1 HB2 ARG 81 - HA ILE 124 poor 8 62 - 13 - 4.0/8658=3, 6114=2...(4) HG LEU 55 - HA SER 78 lone 7 76 - 9 - ~369=3, ~5729=2 HB3 GLU 73 - HA SER 78 lone 7 100 - 7 - 4112/8658=2, 6114=1 HG LEU 84 - HA SER 78 lone 6 85 - 7 - 1164/8658=1 HB3 GLU 64 - HA SER 78 lone 5 63 - 8 - 4.6/7366=3 HG LEU 55 - HA ILE 124 poor 5 40 - 12 - 2.1/7017=3 HB ILE 22 - HA SER 78 lone 4 100 - 4 - ~5995=1 HB3 GLU 73 - HA ILE 124 lone 4 62 - 7 - 4.2/638=2 HB2 LEU 84 - HA ILE 124 lone 4 62 - 7 - HB VAL 50 - HA SER 78 lone 4 78 - 5 - ~371=3 HB ILE 22 - HA ILE 124 lone 4 62 - 6 - 2147/3.6=1 HB2 LEU 21 - HA SER 78 lone 3 85 - 4 - ~5990=1 HB3 LYS 31 - HA SER 78 lone 3 78 - 4 - ~369=2 HG LEU 84 - HA ILE 124 lone 3 46 - 6 - ~7486=1 HB3 MET 11 - HA ILE 124 lone 3 59 - 5 - HB2 GLU 28 - HA ILE 124 lone 3 62 - 4 - HB3 GLU 64 - HA ILE 124 lone 3 32 - 8 - 4.6/7172=2, 4.0/293=1 HG LEU 58 - HA SER 78 lone 2 71 - 3 - HB3 MET 11 - HA SER 78 lone 2 98 - 2 - HB2 LYS 119 - HA SER 78 lone 2 78 - 3 - HB2 LEU 21 - HA ILE 124 lone 1 46 - 3 - HB3 LYS 31 - HA ILE 124 lone 1 42 - 3 - HG LEU 58 - HA ILE 124 lone 1 37 - 3 - HB2 LYS 119 - HA ILE 124 lone 1 42 - 2 - HB VAL 50 - HA ILE 124 lone 1 42 - 2 - Peak 7452 from cnoeabs.peaks (0.94, 2.52, 35.00 ppm; 4.20 A): 3 out of 11 assignments used, quality = 0.92: QD1 ILE 63 + HG2 GLU 82 OK 88 100 - 89 - 8648=38, 7150/1.8=31...(17) QD1 LEU 27 + HG2 GLU 82 OK 18 95 - 19 - 7454/1.8=4, ~7454=3...(7) QD2 LEU 27 + HG2 GLU 82 OK 18 90 - 20 - 7454/1.8=4, ~7454=3...(7) QD1 LEU 55 - HG2 GLU 82 lone 9 100 - 10 - 7454/1.8=2, 3518/8649=1 QD1 LEU 41 - HG2 GLU 82 lone 9 99 - 9 - 7454/1.8=2, 3518/8649=1 QG2 ILE 124 - HG2 GLU 82 poor 9 85 - 10 - 7454/1.8=2, 3.2/7458=1 QG2 ILE 22 - HG2 GLU 82 lone 8 92 - 8 - 7454/1.8=2 QG2 VAL 115 - HG2 GLU 82 lone 6 92 - 7 - 7454/1.8=1, 7457/5.2=1 QG2 VAL 49 - HG2 GLU 82 lone 5 85 - 6 - HB2 GLN 42 - HG2 GLU 82 lone 3 78 - 4 - QD1 LEU 117 - HG2 GLU 82 lone 2 57 - 3 - Peak 7453 from cnoeabs.peaks (0.76, 2.52, 35.00 ppm; 4.23 A): 4 out of 7 assignments used, quality = 0.95: QG2 ILE 63 + HG2 GLU 82 OK 90 100 - 90 - 8649=37, 7143/1.8=33...(18) QG2 VAL 66 + HG2 GLU 82 OK 26 95 - 28 - 7455/1.8=6, 8436/3.0=5...(8) QD1 LEU 84 + HG2 GLU 82 OK 15 96 - 16 - 7456/5.2=4, 7455/1.8=4...(5) HG LEU 111 + HG2 GLU 82 OK 13 98 - 13 - 7455/1.8=3, 3536/8648=2...(4) QD2 LEU 93 - HG2 GLU 82 lone 9 100 - 9 - 7455/1.8=2, 7456/5.2=1 QD2 LEU 111 - HG2 GLU 82 lone 6 65 - 8 - ~7455=2, 7455/1.8=1 QD1 LEU 91 - HG2 GLU 82 lone 5 90 - 6 - 7455/1.8=1 Peak 7454 from cnoeabs.peaks (0.94, 2.95, 35.00 ppm; 4.20 A): 3 out of 10 assignments used, quality = 0.92: QD1 ILE 63 + HG3 GLU 82 OK 88 100 - 89 - 7150=39, 8648/1.8=33...(16) QD1 LEU 27 + HG3 GLU 82 OK 17 90 - 19 - 7452/1.8=4, ~7452=3...(7) QD2 LEU 27 + HG3 GLU 82 OK 17 85 - 20 - 7452/1.8=4, ~7452=3...(7) QG2 ILE 124 - HG3 GLU 82 lone 9 90 - 10 - 7452/1.8=2, 3.2/7459=1...(4) QD1 LEU 41 - HG3 GLU 82 lone 9 97 - 9 - 7452/1.8=2, 3518/7143=1 QD1 LEU 55 - HG3 GLU 82 lone 9 99 - 9 - 7452/1.8=2, 3518/7143=1 QG2 ILE 22 - HG3 GLU 82 lone 7 87 - 8 - 7452/1.8=2 QG2 VAL 115 - HG3 GLU 82 lone 5 87 - 6 - 7452/1.8=1, 7457/5.2=1 QG2 VAL 49 - HG3 GLU 82 lone 4 78 - 5 - 7452/1.8=1 HB2 GLN 42 - HG3 GLU 82 lone 3 71 - 4 - Peak 7455 from cnoeabs.peaks (0.76, 2.95, 35.00 ppm; 4.09 A): 4 out of 7 assignments used, quality = 0.94: QG2 ILE 63 + HG3 GLU 82 OK 90 100 - 90 - 7143=39, 8649/1.8=29...(18) QG2 VAL 66 + HG3 GLU 82 OK 24 90 - 26 - 7453/1.8=6, 8436/3.0=4...(8) QD1 LEU 84 + HG3 GLU 82 OK 15 98 - 15 - 7456/5.2=4, 7453/1.8=3...(4) HG LEU 111 + HG3 GLU 82 OK 12 99 - 12 - 7453/1.8=3, 7456/5.2=1...(5) QD2 LEU 93 - HG3 GLU 82 lone 9 100 - 9 - 7453/1.8=2, 7456/5.2=1 QD2 LEU 111 - HG3 GLU 82 lone 6 73 - 8 - ~7453=2, 7453/1.8=1 QD1 LEU 91 - HG3 GLU 82 lone 5 95 - 6 - 7453/1.8=1 Peak 7458 from cnoeabs.peaks (4.15, 2.52, 35.00 ppm; 4.93 A): 2 out of 12 assignments used, quality = 0.94: HA ILE 63 + HG2 GLU 82 OK 88 97 - 91 - 3.2/8649=30, 3.6/8438=27...(17) HA PHE 83 + HG2 GLU 82 OK 48 100 - 48 - 3.0/402=20, ~401=9...(7) HA GLU 56 - HG2 GLU 82 OK 17 81 - 21 - 8302/5.2=6, 7459/1.8=4...(7) HA ILE 124 - HG2 GLU 82 OK 13 99 - 13 - 7459/1.8=2, 3.2/7452=2...(5) HA PRO 37 - HG2 GLU 82 lone 9 100 - 9 - 7459/1.8=1 HA SER 78 - HG2 GLU 82 poor 9 83 - 10 - 1678/5.2=4, 7459/1.8=2 HA GLU 28 - HG2 GLU 82 lone 8 97 - 8 - 1678/5.2=2, 7459/1.8=1 HA ALA 98 - HG2 GLU 82 lone 7 97 - 7 - ~8437=1, 7459/1.8=1 HB2 SER 113 - HG2 GLU 82 lone 6 100 - 6 - 7459/1.8=1 HB3 SER 78 - HG2 GLU 82 lone 6 81 - 7 - ~7459=1, 5735/402=1, 7361/7444=1 HA ASN 108 - HG2 GLU 82 lone 4 100 - 4 - HB3 SER 72 - HG2 GLU 82 lone 3 98 - 3 - Peak 7459 from cnoeabs.peaks (4.16, 2.95, 35.00 ppm; 5.15 A): 5 out of 13 assignments used, quality = 0.92: HA ILE 63 + HG3 GLU 82 OK 75 83 - 91 - 3.2/7143=33, 3.6/8437=30...(15) HA PHE 83 + HG3 GLU 82 OK 47 97 - 49 - ~402=16, ~401=10...(7) HA GLU 56 + HG3 GLU 82 OK 24 97 - 24 - 8302/5.2=8, 7029/7150=3...(7) HA ILE 124 + HG3 GLU 82 OK 12 89 - 14 - 7458/1.8=2, 3.2/7454=2...(6) HA SER 78 + HG3 GLU 82 OK 12 97 - 12 - 1678/5.2=6, 7366/7162=2 HA GLU 28 - HG3 GLU 82 lone 9 100 - 9 - 1678/5.2=2, 7458/1.8=1 HA PRO 37 - HG3 GLU 82 lone 9 92 - 9 - 7458/1.8=2, 7172/7162=1 HB2 SER 113 - HG3 GLU 82 lone 8 100 - 8 - 7172/7162=2, 7458/1.8=1 HA ALA 98 - HG3 GLU 82 lone 7 81 - 8 - 3.0/8437=2, 7458/1.8=1 HA ASN 108 - HG3 GLU 82 lone 4 92 - 5 - HB3 SER 72 - HG3 GLU 82 lone 2 85 - 3 - HA PRO 68 - HG3 GLU 82 lone 1 60 - 2 - HA ARG 92 - HG3 GLU 82 lone 1 63 - 2 - Peak 7460 from cnoeabs.peaks (2.84, 2.35, 28.63 ppm; 4.61 A): 3 out of 40 assignments used, quality = 0.97: HB2 ASN 79 + HG2 PRO 70 OK 86 100 - 86 - 7461/1.8=14, 7259/2.3=12...(26) HB2 ASN 79 + HB3 GLU 82 OK 56 98 - 58 - 3.0/6120=12, ~6122=8...(18) HB2 ASN 79 + HB2 GLU 82 OK 56 98 - 58 - 3.0/6120=12, ~6122=8...(18) HB3 TYR 67 - HG2 PRO 70 OK 44 100 - 44 - 7461/1.8=6, 7259/2.3=6...(12) HB2 TYR 67 - HG2 PRO 70 OK 44 100 - 44 - 7461/1.8=6, 7259/2.3=6...(12) HB2 CYS 76 - HG2 PRO 70 OK 35 81 - 43 - ~8320=9, ~8319=7...(9) HB2 ASN 99 - HB3 GLU 82 OK 17 98 - 17 - 7470/4.3=2, 4621/3.0=2...(5) HB2 ASN 99 - HB2 GLU 82 OK 17 98 - 17 - 7470/4.3=2, 4621/3.0=2...(5) HB3 PHE 107 - HG2 PRO 70 OK 15 100 - 15 - 7259/2.3=3, 7461/1.8=2...(7) HB2 ASN 99 - HB2 GLN 103 OK 14 75 - 19 - ~7678=5, ~7774=5...(4) HB3 TYR 67 - HB3 GLU 82 OK 13 98 - 14 - ~7445=2, ~7444=2...(5) HB3 TYR 67 - HB2 GLU 82 OK 13 98 - 14 - ~7445=2, ~7444=2...(5) HB2 TYR 67 - HB2 GLU 82 OK 13 98 - 14 - ~7445=2, ~7444=2...(5) HB2 TYR 67 - HB3 GLU 82 OK 13 98 - 14 - ~7445=2, ~7444=2...(5) HB2 ASN 99 - HG2 PRO 70 OK 11 100 - 11 - 7461/1.8=2, 7259/2.3=2...(4) HB2 ASN 79 - HB2 GLN 103 poor 8 75 - 11 - ~7775=2, ~7774=2...(5) HB3 PHE 107 - HB2 GLU 82 lone 8 97 - 8 - ~7444=1, ~7445=1, 7470/4.3=1 HB3 PHE 107 - HB3 GLU 82 lone 8 97 - 8 - ~7444=1, ~7445=1, 7470/4.3=1 HB2 ASP 36 - HB2 GLN 103 lone 7 75 - 9 - 2642/4.0=5, 4.0/4724=3 HB2 ASP 36 - HG2 PRO 70 lone 6 100 - 6 - 7461/1.8=2, 7259/2.3=1 HE3 LYS 119 - HG2 PRO 70 lone 5 78 - 7 - 7.3/606=1 HE2 LYS 119 - HG2 PRO 70 lone 5 76 - 7 - 7.3/606=1 HB2 CYS 76 - HB2 GLU 82 lone 4 76 - 5 - HB2 CYS 76 - HB3 GLU 82 lone 4 76 - 5 - HG CYS 52 - HG2 PRO 70 lone 4 96 - 4 - HB2 TYR 67 - HB2 GLN 103 lone 4 75 - 5 - HB3 TYR 67 - HB2 GLN 103 lone 4 75 - 5 - HG CYS 52 - HB2 GLU 82 lone 3 92 - 4 - HG CYS 52 - HB3 GLU 82 lone 3 92 - 4 - HE3 LYS 119 - HB2 GLU 82 lone 2 74 - 3 - HE3 LYS 119 - HB3 GLU 82 lone 2 74 - 3 - HB2 ASP 36 - HB2 GLU 82 lone 2 98 - 2 - HB2 ASP 36 - HB3 GLU 82 lone 2 98 - 2 - HE2 LYS 119 - HB3 GLU 82 lone 2 72 - 3 - HE2 LYS 119 - HB2 GLU 82 lone 2 72 - 3 - HB2 CYS 76 - HB2 GLN 103 lone 1 53 - 2 - HB3 PHE 107 - HB2 GLN 103 lone 1 74 - 2 - HG CYS 52 - HB2 GLN 103 lone 1 67 - 1 - HE3 LYS 119 - HB2 GLN 103 lone 1 51 - 1 - HE2 LYS 119 - HB2 GLN 103 lone 1 50 - 1 - Peak 7461 from cnoeabs.peaks (2.85, 2.04, 28.63 ppm; 4.55 A): 3 out of 10 assignments used, quality = 0.95: HB2 ASN 79 + HG3 PRO 70 OK 85 100 - 85 - 3.5/7272=17, 3.5/7273=14...(29) HB2 TYR 67 + HG3 PRO 70 OK 40 99 - 40 - 7259/2.3=6, 8323/2.3=5...(15) HB3 TYR 67 + HG3 PRO 70 OK 40 99 - 40 - 7259/2.3=6, 8323/2.3=5...(15) HB2 CYS 76 - HG3 PRO 70 OK 30 68 - 43 - ~8320=9, 3.0/7326=8...(10) HB3 PHE 107 - HG3 PRO 70 OK 14 100 - 14 - 7259/2.3=3, ~4800=2...(7) HB2 ASN 99 - HG3 PRO 70 OK 11 100 - 11 - 7259/2.3=2, 8323/2.3=2 HB2 ASP 36 - HG3 PRO 70 OK 11 100 - 11 - 4.8/2654=3, 4.8/2661=3 HE3 LYS 119 - HG3 PRO 70 lone 5 89 - 5 - HE2 LYS 119 - HG3 PRO 70 lone 4 87 - 5 - HG CYS 52 - HG3 PRO 70 lone 3 99 - 3 - Peak 7462 from cnoeabs.peaks (0.95, 2.34, 28.65 ppm; 3.83 A): 2 out of 27 assignments used, quality = 0.94: QD1 ILE 63 + HB2 GLU 82 OK 75 97 - 77 - 8648/3.0=21, 7150/3.0=20...(17) QD1 ILE 63 + HB3 GLU 82 OK 75 97 - 77 - 8648/3.0=21, 7150/3.0=20...(17) QD1 ILE 63 - HG2 PRO 70 OK 23 94 - 25 - 7148=3, 3.2/7141=2...(6) QG2 VAL 115 - HG2 PRO 70 OK 15 61 - 25 - 3.2/6246=6, 5114/2.3=3...(8) QD1 LEU 41 - HG2 PRO 70 OK 15 80 - 18 - ~7264=4, ~7254=3...(7) QD1 LEU 27 - HB3 GLU 82 OK 14 71 - 20 - 7454/3.0=3, 7452/3.0=2...(11) QD1 LEU 27 - HB2 GLU 82 OK 14 71 - 20 - 7454/3.0=3, 7452/3.0=2...(11) QD2 LEU 27 - HB3 GLU 82 OK 12 63 - 20 - 7454/3.0=2, 7452/3.0=2...(11) QD2 LEU 27 - HB2 GLU 82 OK 12 63 - 20 - 7454/3.0=2, 7452/3.0=2...(11) QD1 LEU 55 - HG2 PRO 70 OK 11 86 - 13 - 6906/2.3=2, 4.6/245=2...(6) QD1 LEU 27 - HG2 PRO 70 poor 9 67 - 14 - ~6532=5, ~7263=2...(4) QD1 LEU 55 - HB2 GLU 82 lone 9 90 - 10 - 7465/4.3=2, 7454/3.0=1...(4) QD1 LEU 55 - HB3 GLU 82 lone 9 90 - 10 - 7465/4.3=2, 7454/3.0=1...(4) QD2 LEU 27 - HG2 PRO 70 poor 8 59 - 13 - 6532/2.3=5, ~7263=2...(4) QG2 THR 95 - HB2 GLU 82 poor 8 73 - 10 - 8380/4.3=2, 4551/3.0=2 QG2 THR 95 - HB3 GLU 82 poor 8 73 - 10 - 8380/4.3=2, 4551/3.0=2 QG2 ILE 124 - HB2 GLU 82 lone 7 99 - 7 - 7454/3.0=1, 7452/3.0=1 QG2 ILE 124 - HB3 GLU 82 lone 7 99 - 7 - 7454/3.0=1, 7452/3.0=1 QD1 LEU 41 - HB2 GLU 82 lone 6 85 - 7 - 7465/4.3=2, 7454/3.0=1 QD1 LEU 41 - HB3 GLU 82 lone 6 85 - 7 - 7465/4.3=2, 7454/3.0=1 QG2 ILE 22 - HG2 PRO 70 lone 5 61 - 9 - ~6440=2, ~8326=1 QG2 VAL 115 - HB3 GLU 82 lone 5 65 - 8 - 3.2/6246=1, 7457/3.7=1 QG2 VAL 115 - HB2 GLU 82 lone 5 65 - 8 - 3.2/6246=1, 7457/3.7=1 QG2 ILE 22 - HB2 GLU 82 lone 5 65 - 7 - 6427/4.3=2, 7452/3.0=1 QG2 ILE 22 - HB3 GLU 82 lone 5 65 - 7 - 6427/4.3=2, 7452/3.0=1 QG2 THR 95 - HG2 PRO 70 lone 2 69 - 4 - QG2 ILE 124 - HG2 PRO 70 lone 2 96 - 2 - Peak 7471 from cnoeabs.peaks (2.85, 3.21, 38.12 ppm; 4.92 A): 0 out of 9 assignments used, low quality = 0.26: HB2 ASN 79 - HB3 PHE 83 OK 17 99 - 17 - 7470/4.0=8, 3.9/4204=6 HB3 PHE 107 - HB3 PHE 83 OK 12 99 - 12 - 2.4/4813=3, 4.4/4784=3...(4) HB2 ASN 99 - HB3 PHE 83 lone 9 98 - 9 - 7470/4.0=3, 3.5/4204=2 HB3 TYR 67 - HB3 PHE 83 lone 6 97 - 6 - 7470/4.0=2 HB2 TYR 67 - HB3 PHE 83 lone 6 97 - 6 - 7470/4.0=2 HB2 ASP 36 - HB3 PHE 83 lone 4 98 - 4 - 6660/4.5=1 HE3 LYS 119 - HB3 PHE 83 lone 3 96 - 3 - 7470/4.0=1 HE2 LYS 119 - HB3 PHE 83 lone 3 95 - 3 - 7470/4.0=1 HG CYS 52 - HB3 PHE 83 lone 3 100 - 3 - 7470/4.0=1 Peak 7472 from cnoeabs.peaks (0.94, 3.21, 38.12 ppm; 4.98 A): 6 out of 12 assignments used, quality = 0.93: QD1 ILE 63 + HB3 PHE 83 OK 52 100 - 52 - 7128/4.0=14, 8355/3.0=12...(10) QD1 LEU 55 + HB3 PHE 83 OK 40 100 - 40 - ~8354=8, ~7004=7...(9) QD1 LEU 41 + HB3 PHE 83 OK 39 100 - 39 - 4.1/6130=10, ~6769=5...(10) QD2 LEU 27 + HB3 PHE 83 OK 28 93 - 30 - 6533/2.5=7, 8355/3.0=5...(8) QD1 LEU 27 + HB3 PHE 83 OK 28 97 - 29 - ~6533=5, 8355/3.0=4...(8) HB2 GLN 42 + HB3 PHE 83 OK 23 83 - 28 - 4.0/950=4, 4.6/176=3...(11) QG2 VAL 115 - HB3 PHE 83 OK 15 95 - 15 - 8355/3.0=3, 3.2/6130=3...(5) QG2 ILE 22 - HB3 PHE 83 OK 14 95 - 15 - 6427/4.0=5, 8355/3.0=4, ~8354=3 QG2 ILE 124 - HB3 PHE 83 OK 12 81 - 15 - 8355/3.0=4, 7465/4.0=2...(7) QG2 VAL 49 - HB3 PHE 83 lone 4 89 - 5 - QD1 LEU 117 - HB3 PHE 83 lone 2 63 - 4 - QD1 LEU 126 - HB3 PHE 83 lone 1 60 - 2 - Peak 7473 from cnoeabs.peaks (0.62, 3.21, 38.12 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.66: QD1 LEU 51 + HB3 PHE 83 OK 62 100 - 62 - 3.1/7474=34, 6942/2.5=13...(6) QD1 LEU 45 + HB3 PHE 83 OK 10 71 - 15 - 4.7/1607=3, 3087/7474=3...(5) QG2 VAL 26 - HB3 PHE 83 lone 9 100 - 9 - 3087/7474=3, 7423/6130=2 QG1 VAL 26 - HB3 PHE 83 lone 9 99 - 9 - 3087/7474=3, 7423/6130=2 Peak 7474 from cnoeabs.peaks (0.45, 3.21, 38.12 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.68: HB3 LEU 51 + HB3 PHE 83 OK 68 100 - 68 - 6936=28, 3.1/7473=22...(7) Peak 7475 from cnoeabs.peaks (7.10, 3.50, 57.68 ppm; 4.54 A): 5 out of 5 assignments used, quality = 0.93: QD PHE 83 + HA LEU 84 OK 70 97 - 72 - 410/2.9=16, 7479/3.9=13...(17) H LEU 93 + HA LEU 84 OK 36 97 - 37 - 7479/3.9=6, 7481/3.9=4...(12) QD PHE 40 + HA LEU 84 OK 34 89 - 39 - 410/2.9=10, 7479/3.9=8...(8) HZ PHE 96 + HA LEU 84 OK 33 76 - 44 - 3.8/4597=9, 4733/3.9=8...(13) HE ARG 92 + HA LEU 84 OK 16 100 - 15 - 7479/3.9=3, 410/2.9=3...(5) Peak 7476 from cnoeabs.peaks (7.11, 1.89, 26.06 ppm; 4.79 A): 5 out of 6 assignments used, quality = 0.91: QD PHE 83 + HG LEU 84 OK 58 99 - 59 - 7479/2.1=21, 4.6/4253=12...(11) HZ PHE 96 + HG LEU 84 OK 42 63 - 66 - ~7478=13, ~4726=10...(18) QD PHE 40 + HG LEU 84 OK 36 96 - 38 - 7479/2.1=12, 410/5.2=7...(9) H LEU 93 + HG LEU 84 OK 32 90 - 35 - 7479/2.1=9, 7475/4.3=5...(10) HE ARG 92 + HG LEU 84 OK 17 100 - 17 - 7479/2.1=4, 7475/4.3=2...(4) HE ARG 53 - HG LEU 84 lone 2 60 - 4 - Peak 7477 from cnoeabs.peaks (7.39, 0.14, 20.83 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.72: H PHE 96 + QD2 LEU 84 OK 72 99 - 73 - 7631=29, 7630/2.1=13...(13) HD21 ASN 79 - QD2 LEU 84 poor 9 83 - 11 - 5813/7625=2, 3.5/7487=2...(5) H LYS 32 - QD2 LEU 84 lone 5 68 - 7 - 4.6/4260=1, 121/2.1=1 H GLU 75 - QD2 LEU 84 lone 3 97 - 4 - HE21 GLN 16 - QD2 LEU 84 lone 1 93 - 1 - Peak 7478 from cnoeabs.peaks (7.26, 0.14, 20.83 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.91: QD PHE 96 + QD2 LEU 84 OK 76 97 - 78 - 4714=18, 4.5/7477=16...(26) QE PHE 96 + QD2 LEU 84 OK 64 90 - 71 - 2.2/4714=14, 4726=13...(19) H VAL 26 - QD2 LEU 84 lone 8 96 - 9 - 7480/2.1=1 HE ARG 57 - QD2 LEU 84 lone 7 100 - 7 - 1253/7477=1 HE ARG 71 - QD2 LEU 84 lone 3 99 - 3 - HD1 TRP 20 - QD2 LEU 84 lone 3 73 - 4 - Peak 7479 from cnoeabs.peaks (7.11, 0.14, 20.83 ppm; 3.75 A): 4 out of 5 assignments used, quality = 0.73: QD PHE 83 + QD2 LEU 84 OK 48 100 - 48 - 4.6/1188=10, 2.5/4261=8...(13) QD PHE 40 + QD2 LEU 84 OK 27 99 - 27 - 410/4.6=5, 7476/2.1=4...(7) H LEU 93 + QD2 LEU 84 OK 21 81 - 25 - 7476/2.1=4, 7475/3.9=3...(12) HE ARG 92 + QD2 LEU 84 OK 10 99 - 10 - 7476/2.1=2, 7475/3.9=1 HE ARG 53 - QD2 LEU 84 lone 2 73 - 3 - Peak 7480 from cnoeabs.peaks (7.25, 0.75, 25.87 ppm; 4.03 A): 4 out of 12 assignments used, quality = 0.94: QE PHE 96 + QD1 LEU 84 OK 69 99 - 69 - 7478/2.1=14, 2.2/4713=12...(18) QD PHE 96 + QD1 LEU 84 OK 64 81 - 79 - 7478/2.1=17, 4713=12...(26) QE PHE 96 + QD1 LEU 114 OK 31 64 - 49 - ~7948=12, 4723/2.1=9...(9) QD PHE 96 + QD1 LEU 114 OK 17 46 - 38 - ~7956=8, 2.2/4724=7...(11) H VAL 26 - QD1 LEU 84 lone 7 100 - 7 - 7478/2.1=2 HE ARG 57 - QD1 LEU 84 lone 7 96 - 7 - 7478/2.1=1 QD TYR 102 - QD1 LEU 84 lone 5 63 - 8 - 4.5/4267=1, 7397/8357=1 H VAL 26 - QD1 LEU 114 lone 3 65 - 5 - 6496/3.1=1 HE ARG 71 - QD1 LEU 84 lone 3 100 - 3 - QD TYR 102 - QD1 LEU 114 lone 2 34 - 6 - 7956/2.1=2, 4827/4.0=1 HE ARG 57 - QD1 LEU 114 lone 2 59 - 3 - HE ARG 71 - QD1 LEU 114 lone 1 65 - 2 - Peak 7481 from cnoeabs.peaks (7.09, 0.75, 25.87 ppm; 4.12 A): 6 out of 8 assignments used, quality = 0.92: HZ PHE 96 + QD1 LEU 84 OK 62 99 - 63 - 4733/2.1=12, 2.2/7480=12...(18) H LEU 93 + QD1 LEU 84 OK 35 100 - 35 - 1235=6, 7479/2.1=4...(14) QD PHE 83 + QD1 LEU 84 OK 34 68 - 50 - 4.6/1189=10, 7479/2.1=9...(12) HZ PHE 96 + QD1 LEU 114 OK 32 62 - 51 - 7948/2.1=20, 4731=10...(10) H LEU 93 + QD1 LEU 114 OK 23 65 - 35 - 7948/2.1=17, 450/4.4=4...(6) HE ARG 92 + QD1 LEU 84 OK 10 85 - 12 - 7479/2.1=2, 7476/2.1=2...(4) HE ARG 92 - QD1 LEU 114 lone 4 49 - 9 - 7948/2.1=4, 6.9/449=1 QD PHE 83 - QD1 LEU 114 lone 2 37 - 5 - 4.6/1189=1 Peak 7482 from cnoeabs.peaks (9.21, 0.75, 25.87 ppm; 4.11 A): 3 out of 6 assignments used, quality = 0.74: H ALA 98 + QD1 LEU 84 OK 55 99 - 56 - 7661=20, ~7668=8...(17) H ASP 97 + QD1 LEU 84 OK 35 98 - 35 - 4.4/7630=10, 4.6/7661=9...(7) H GLU 64 + QD1 LEU 84 OK 11 71 - 15 - 3.6/3501=3, 295=3...(5) H ALA 98 - QD1 LEU 114 poor 7 64 - 10 - 7661=3, 2.9/7666=1, 4.6/7673=1 H ASP 97 - QD1 LEU 114 lone 5 62 - 7 - 4.4/4713=3, 4.6/7661=1 H GLU 64 - QD1 LEU 114 lone 1 39 - 2 - Peak 7483 from cnoeabs.peaks (4.54, 0.14, 20.83 ppm; 4.79 A): 3 out of 7 assignments used, quality = 0.94: HA THR 95 + QD2 LEU 84 OK 85 98 - 86 - 3.6/7477=31, 3.0/7625=27...(11) HA GLU 82 + QD2 LEU 84 OK 43 100 - 43 - 3.6/7467=14, 4.9/7434=13...(8) HA ASN 79 + QD2 LEU 84 OK 30 99 - 31 - 4.9/7426=8, 1685/4.6=4...(9) HA ASN 99 - QD2 LEU 84 OK 24 89 - 27 - 4.5/7668=11, ~7673=7...(4) HB THR 23 - QD2 LEU 84 OK 24 71 - 34 - 4.0/5767=9, 2.1/4263=5...(10) HA LEU 27 - QD2 LEU 84 OK 20 100 - 20 - 3.6/4260=5, 1685/4.6=3...(4) HB THR 121 - QD2 LEU 84 lone 6 81 - 8 - ~8085=2, ~8090=2 Peak 7484 from cnoeabs.peaks (4.83, 0.74, 26.35 ppm; 6.20 A): 0 out of 6 assignments used, low quality = 0.25: HA PHE 96 - QD1 LEU 91 OK 17 73 - 23 - 3.7/4713=6, 5.6/4724=4...(6) HA ASP 97 - QD1 LEU 91 OK 11 97 - 11 - 3.6/7661=6, 8699/7673=2 HA TYR 67 - QD1 LEU 91 lone 8 97 - 9 - ~317=2, 3.0/319=1 HA PHE 96 - QD1 LEU 114 poor 8 33 - 24 - 5.6/4724=7, 3.7/4713=7...(4) HA TYR 67 - QD1 LEU 114 lone 4 50 - 9 - 4.8/7223=2 HA ASP 97 - QD1 LEU 114 lone 4 49 - 7 - 3.6/7661=3 Peak 7485 from cnoeabs.peaks (0.97, 3.50, 57.68 ppm; 4.38 A): 5 out of 8 assignments used, quality = 0.86: QG2 THR 95 + HA LEU 84 OK 68 99 - 69 - 7628=19, 7626/3.9=18...(13) QG1 VAL 18 + HA LEU 84 OK 25 87 - 28 - 7486/3.9=3, 2.1/1997=3...(13) QD1 LEU 101 + HA LEU 84 OK 23 85 - 27 - 7486/3.9=7, 5836/2.9=3...(8) QD1 ILE 63 + HA LEU 84 OK 15 68 - 23 - 7147/6153=4, 3.2/4238=3...(9) QG2 ILE 124 + HA LEU 84 OK 10 98 - 10 - 7486/3.9=2, 7544/6153=1 QD2 LEU 58 - HA LEU 84 lone 6 65 - 10 - 7486/3.9=2 HG2 LYS 65 - HA LEU 84 lone 5 93 - 6 - 7486/3.9=1 HG3 LYS 65 - HA LEU 84 lone 5 93 - 6 - 7486/3.9=1 Peak 7486 from cnoeabs.peaks (0.97, 0.14, 20.83 ppm; 3.69 A): 3 out of 7 assignments used, quality = 0.90: QG2 THR 95 + QD2 LEU 84 OK 80 100 - 80 - 7626=29, 2.1/7625=23...(15) QD1 LEU 101 + QD2 LEU 84 OK 39 93 - 42 - 7708=10, 2.1/7711=6...(17) QG1 VAL 18 + QD2 LEU 84 OK 17 95 - 18 - 7485/3.9=3, 3.2/4261=2...(4) QG2 ILE 124 - QD2 LEU 84 lone 9 93 - 9 - 7485/3.9=1 QD2 LEU 58 - QD2 LEU 84 poor 9 78 - 11 - HG2 LYS 65 - QD2 LEU 84 lone 8 98 - 8 - 4.9/8518=1 HG3 LYS 65 - QD2 LEU 84 lone 8 98 - 8 - 4.9/8518=1 Peak 7487 from cnoeabs.peaks (3.89, 0.14, 20.83 ppm; 3.64 A): 5 out of 13 assignments used, quality = 0.87: HB THR 95 + QD2 LEU 84 OK 78 100 - 78 - 7625=31, 2.1/7626=20...(14) HD2 PRO 68 + QD2 LEU 84 OK 12 83 - 14 - 2.3/7232=4, 473/7477=1 HB3 ASN 79 + QD2 LEU 84 OK 12 98 - 12 - 3.5/7477=2, 3.0/7483=2...(5) HD3 PRO 68 + QD2 LEU 84 OK 11 78 - 14 - 2.3/7232=4, 2.3/4264=1 HB THR 62 + QD2 LEU 84 OK 11 78 - 14 - 3.0/7490=3, ~7492=2...(7) HA ARG 53 - QD2 LEU 84 lone 3 100 - 3 - ~6962=1 HB3 SER 112 - QD2 LEU 84 lone 3 100 - 3 - HB2 SER 112 - QD2 LEU 84 lone 3 100 - 3 - HA3 GLY 2 - QD2 LEU 84 lone 3 97 - 3 - HA2 GLY 2 - QD2 LEU 84 lone 3 97 - 3 - HB2 SER 13 - QD2 LEU 84 lone 3 78 - 3 - HA ALA 43 - QD2 LEU 84 lone 2 63 - 3 - HA ILE 34 - QD2 LEU 84 lone 1 97 - 1 - Peak 7488 from cnoeabs.peaks (4.14, 0.75, 25.87 ppm; 3.91 A): 6 out of 28 assignments used, quality = 0.94: HA ALA 98 + QD1 LEU 84 OK 55 99 - 56 - 3.0/7482=14, ~7668=9...(16) HA PHE 83 + QD1 LEU 84 OK 50 100 - 51 - 3.6/1189=11, ~7467=7...(14) HB2 SER 113 + QD1 LEU 114 OK 33 61 - 54 - 5890/4.4=10, 7932/2.1=8...(14) HA ILE 63 + QD1 LEU 84 OK 29 100 - 29 - 3501=5, 3.0/1069=3...(13) HA GLU 28 + QD1 LEU 84 OK 29 92 - 31 - 3.0/4267=4, ~4253=3...(13) HB2 SER 113 + QD1 LEU 84 OK 22 97 - 22 - 7934/2.1=7, ~7938=4...(6) HA PRO 37 - QD1 LEU 84 lone 10 100 - 10 - 5997/4.6=2, 7491/2.1=1 HA ASN 108 - QD1 LEU 84 lone 10 100 - 10 - 7670/2.1=1, 7662=1 HA ILE 124 - QD1 LEU 84 lone 8 100 - 8 - 7491/2.1=1 HA ALA 98 - QD1 LEU 114 poor 8 64 - 12 - 3.0/7661=2, 2.1/7666=2...(4) HB3 SER 78 - QD1 LEU 114 poor 6 53 - 11 - 4042/4.0=2, ~5085=2...(4) HA PHE 83 - QD1 LEU 114 lone 6 64 - 9 - 8354/2.1=3, 3.6/1189=2 HA SER 78 - QD1 LEU 84 lone 5 71 - 8 - 8658/7431=1, 405/4.6=1 HB3 SER 78 - QD1 LEU 84 lone 5 90 - 6 - HA GLU 56 - QD1 LEU 84 lone 5 68 - 8 - 2.9/7030=2 HA ILE 124 - QD1 LEU 114 lone 4 65 - 7 - 578/4.4=1 HA SER 78 - QD1 LEU 114 lone 4 39 - 9 - 578/4.4=1, 4034/4.0=1...(4) HA ARG 57 - QD1 LEU 84 lone 3 60 - 6 - HA ILE 63 - QD1 LEU 114 lone 3 64 - 5 - HA ASN 108 - QD1 LEU 114 lone 3 66 - 5 - HA PRO 37 - QD1 LEU 114 lone 3 66 - 4 - HA ARG 57 - QD1 LEU 114 lone 2 32 - 8 - ~7957=2 HA GLU 56 - QD1 LEU 114 lone 2 37 - 6 - ~256=2, 2.9/7030=2 HB3 SER 72 - QD1 LEU 84 lone 2 100 - 2 - HA3 GLY 25 - QD1 LEU 84 lone 2 60 - 3 - HA GLU 28 - QD1 LEU 114 lone 2 55 - 3 - HB3 SER 72 - QD1 LEU 114 lone 1 65 - 2 - HA3 GLY 25 - QD1 LEU 114 lone 1 32 - 2 - Peak 7489 from cnoeabs.peaks (3.99, 0.75, 25.87 ppm; 3.68 A): 6 out of 10 assignments used, quality = 0.91: HA ARG 81 + QD1 LEU 84 OK 71 100 - 71 - 7433=18, 6136/3.1=14...(22) HA LEU 117 + QD1 LEU 84 OK 24 100 - 24 - 8004=5, 7490/2.1=3...(8) HA THR 62 + QD1 LEU 84 OK 23 100 - 23 - 6137/3.1=3, 6135/3.1=3...(8) HA PHE 107 + QD1 LEU 84 OK 22 93 - 24 - 7810/2.1=8, 6137/3.1=3...(7) HA LEU 117 + QD1 LEU 114 OK 21 64 - 33 - ~7955=6, 8004=5, ~7958=4...(11) HA ALA 14 + QD1 LEU 84 OK 15 60 - 25 - 2.1/6305=4, 6298=4...(11) HA THR 62 - QD1 LEU 114 poor 9 65 - 14 - ~7960=4, 7101/2.1=2...(5) HA ARG 81 - QD1 LEU 114 lone 6 66 - 9 - 7433=2 HA PHE 107 - QD1 LEU 114 lone 3 56 - 5 - HA ALA 14 - QD1 LEU 114 lone 2 32 - 5 - Peak 7490 from cnoeabs.peaks (3.99, 0.14, 20.83 ppm; 4.85 A): 3 out of 5 assignments used, quality = 0.96: HA ARG 81 + QD2 LEU 84 OK 87 100 - 87 - 7434=28, 6136/3.1=22...(24) HA PHE 107 + QD2 LEU 84 OK 54 93 - 58 - 7810=16, 3.7/8518=15...(13) HA THR 62 + QD2 LEU 84 OK 35 100 - 35 - 6137/3.1=6, 7489/2.1=6...(9) HA LEU 117 - QD2 LEU 84 OK 34 100 - 34 - 7489/2.1=6, 6137/3.1=5...(9) HA ALA 14 - QD2 LEU 84 OK 22 60 - 36 - 7492/2.1=5, ~6305=4...(12) Peak 7491 from cnoeabs.peaks (4.13, 0.14, 20.83 ppm; 4.98 A): 3 out of 12 assignments used, quality = 0.94: HA ALA 98 + QD2 LEU 84 OK 71 100 - 72 - 2.1/7668=18, 7670=14...(18) HA PHE 83 + QD2 LEU 84 OK 68 92 - 75 - 3.6/1188=22, 3.7/7479=17...(16) HB2 SER 113 + QD2 LEU 84 OK 35 83 - 43 - 7934=12, 1.8/7938=9...(10) HA GLU 28 - QD2 LEU 84 OK 31 71 - 44 - 3.0/4260=6, ~4253=5...(19) HA ILE 63 - QD2 LEU 84 OK 30 100 - 30 - 3501/2.1=5, 3.2/4266=4...(9) HA PRO 37 - QD2 LEU 84 OK 18 97 - 18 - 5997/4.6=4, 6699/7479=2...(4) HA ASN 108 - QD2 LEU 84 OK 16 97 - 16 - 7670=3, 7488/2.1=1...(4) HA ILE 124 - QD2 LEU 84 OK 15 99 - 15 - 3.2/7486=2, 7488/2.1=1 HB3 SER 78 - QD2 LEU 84 OK 13 99 - 13 - 405/4.6=1, 5735/7467=1 HA ARG 57 - QD2 LEU 84 lone 7 85 - 8 - 7670=1 HA3 GLY 25 - QD2 LEU 84 lone 5 85 - 6 - 3.6/7478=2 HB3 SER 72 - QD2 LEU 84 lone 3 99 - 3 - Peak 7492 from cnoeabs.peaks (4.00, 1.89, 26.06 ppm; 5.07 A): 4 out of 5 assignments used, quality = 0.96: HA ARG 81 + HG LEU 84 OK 85 97 - 87 - 6136/3.0=24, 7434/2.1=23...(30) HA PHE 107 + HG LEU 84 OK 35 100 - 35 - 7810/2.1=15, 6137/3.0=5...(6) HA THR 62 + HG LEU 84 OK 35 99 - 35 - 6137/3.0=6, 7490/2.1=6...(9) HA LEU 117 + HG LEU 84 OK 31 92 - 33 - 7489/2.1=6, 7490/2.1=6...(9) HA ALA 14 - HG LEU 84 OK 30 85 - 36 - 6295/3.0=5, 6298/2.1=5...(10) Peak 7494 from cnoeabs.peaks (3.48, 3.93, 58.86 ppm; 4.91 A): 1 out of 6 assignments used, quality = 0.93: HA LEU 84 + HA ARG 85 OK 93 93 - 100 - 4.8=100 HA VAL 18 - HA ARG 85 OK 22 99 - 22 - 1695/3.6=4, 412/3.0=4...(8) HB3 SER 44 - HA ARG 85 OK 13 97 - 13 - 4.0/6158=4, 1695/3.6=2...(4) HB2 SER 44 - HA ARG 85 poor 6 57 - 10 - 4.0/6158=4, 4.6/1605=2...(4) HB2 PHE 96 - HA ARG 85 lone 5 60 - 9 - 412/3.0=4, 1695/3.6=2 HD3 PRO 70 - HA ARG 85 lone 3 68 - 4 - Peak 7497 from cnoeabs.peaks (7.96, 1.50, 25.37 ppm; 5.12 A): 6 out of 12 assignments used, quality = 0.94: HE ARG 85 + HG2 ARG 85 OK 83 83 - 100 - 4.0=100 H LEU 114 + HG2 ARG 85 OK 26 97 - 26 - 7499/1.8=4, 6158/4.1=4...(10) HE ARG 85 + HG2 LYS 109 OK 24 33 - 74 - 2.9/4326=10, 4.0/4310=8...(32) H ARG 92 + HG2 ARG 85 OK 21 100 - 21 - 7499/1.8=3, 6158/4.1=3...(8) H ALA 89 + HG2 ARG 85 OK 19 100 - 19 - 6158/4.1=7, 7516/5.0=5...(4) H SER 44 + HG2 ARG 85 OK 11 93 - 11 - 6158/4.1=4, 6823/1.8=3 H SER 44 - HG2 LYS 109 poor 9 40 - 23 - 961/3.7=4, 183/4.7=4...(9) H VAL 66 - HG2 ARG 85 lone 7 100 - 7 - 6158/4.1=1, 7499/1.8=1 H ARG 92 - HG2 LYS 109 poor 5 47 - 10 - 1224/2.9=1 H LEU 114 - HG2 LYS 109 poor 4 43 - 10 - 1763/3.7=2 H VAL 66 - HG2 LYS 109 lone 4 47 - 8 - 308/1.8=1, 1091/3.0=1 H ALA 89 - HG2 LYS 109 lone 2 46 - 5 - Peak 7498 from cnoeabs.peaks (6.97, 1.50, 25.37 ppm; 4.60 A): 4 out of 8 assignments used, quality = 0.81: HD22 ASN 108 + HG2 ARG 85 OK 48 100 - 49 - 7832=16, 7503/3.0=13...(8) QE PHE 107 + HG2 ARG 85 OK 37 89 - 41 - 7503/3.0=11, 7500/1.8=9...(12) H LEU 101 + HG2 ARG 85 OK 24 100 - 24 - 7503/3.0=8, 8708/4.0=7...(5) HD22 ASN 108 + HG2 LYS 109 OK 21 47 - 46 - 7832=11, 1.7/7831=8...(13) HD22 ASN 12 - HG2 ARG 85 lone 7 95 - 7 - 7503/3.0=2, 8708/4.0=2 H LEU 101 - HG2 LYS 109 poor 6 47 - 13 - 549/4.7=6, 7833/1.8=2...(4) QE PHE 107 - HG2 LYS 109 poor 5 37 - 15 - 549/4.7=6, ~4802=1...(5) HD22 ASN 12 - HG2 LYS 109 lone 3 41 - 8 - 7833/1.8=2, 549/4.7=2 Peak 7499 from cnoeabs.peaks (7.97, 1.65, 25.37 ppm; 5.02 A): 1 out of 14 assignments used, quality = 0.92: HE ARG 85 + HG3 ARG 85 OK 92 92 - 100 - 4.0=100 H LEU 114 - HG3 ARG 85 OK 21 100 - 21 - 7497/1.8=5, 6158/4.1=4...(7) H ALA 89 - HG3 ARG 85 OK 17 97 - 17 - 6158/4.1=6, 7516/5.0=6...(4) H ARG 92 - HG3 ARG 85 OK 17 100 - 17 - 7497/1.8=4, 6158/4.1=3...(6) H SER 44 - HG3 ARG 85 OK 12 85 - 14 - 6158/4.1=4, 6823=3...(5) HE ARG 85 - HG LEU 51 OK 11 54 - 21 - 2.9/4327=4, 8713=4...(8) H LEU 114 - HG LEU 51 poor 8 63 - 12 - 7557/2.1=7, 4.0/4310=2 H THR 17 - HG3 ARG 85 lone 7 65 - 10 - 7516/5.0=3, 1539/5.0=1 H VAL 66 - HG3 ARG 85 lone 6 100 - 6 - 6158/4.1=1, 7497/1.8=1 H ALA 89 - HG LEU 51 lone 4 59 - 7 - 7557/2.1=2 H SER 44 - HG LEU 51 lone 2 48 - 5 - H ARG 92 - HG LEU 51 lone 2 63 - 4 - H VAL 66 - HG LEU 51 lone 2 63 - 2 - H THR 17 - HG LEU 51 lone 1 35 - 3 - Peak 7500 from cnoeabs.peaks (6.98, 1.65, 25.37 ppm; 4.98 A): 5 out of 8 assignments used, quality = 0.90: QE PHE 107 + HG3 ARG 85 OK 51 99 - 51 - 7503/3.0=12, 7498/1.8=10...(13) HD22 ASN 108 + HG3 ARG 85 OK 47 99 - 48 - 7832/1.8=16, 7503/3.0=14...(6) QE PHE 107 + HG LEU 51 OK 37 62 - 60 - 4797/2.1=10, 7824/2.1=8...(14) H LEU 101 + HG3 ARG 85 OK 30 97 - 31 - 7503/3.0=9, 8708/4.0=8...(6) H LEU 101 + HG LEU 51 OK 16 59 - 28 - 7699/2.1=7, 4.7/4676=3...(10) HD22 ASN 12 - HG3 ARG 85 lone 6 76 - 8 - 7503/3.0=2, 8708/4.0=2 HD22 ASN 108 - HG LEU 51 lone 3 62 - 5 - HD22 ASN 12 - HG LEU 51 lone 1 42 - 3 - Peak 7501 from cnoeabs.peaks (7.99, 3.04, 42.24 ppm; 4.03 A): 1 out of 21 assignments used, quality = 0.99: HE ARG 85 + HD2 ARG 85 OK 99 99 - 100 - 2.9=100 HE ARG 85 - HE2 LYS 109 OK 27 53 - 51 - 8711=11, 8711/1.8=9...(13) HE ARG 85 - HE3 LYS 109 OK 27 53 - 51 - 8711=11, 8711/1.8=9...(13) H LEU 114 - HD2 ARG 85 OK 10 89 - 11 - 7504/1.8=3, 1355/3.0=2 H THR 17 - HD2 ARG 85 lone 6 100 - 6 - 7504/1.8=1, 1539/6.2=1 H ARG 92 - HD2 ARG 85 lone 5 65 - 8 - 7504/1.8=2, 7499/3.0=1 H VAL 66 - HD2 ARG 85 lone 2 65 - 3 - H LEU 114 - HE2 LYS 109 lone 1 43 - 3 - H LEU 114 - HE3 LYS 109 lone 1 43 - 3 - H VAL 66 - HE2 LYS 109 lone 1 29 - 4 - H VAL 66 - HE3 LYS 109 lone 1 29 - 4 - H THR 17 - HE3 LYS 109 lone 1 54 - 2 - H THR 17 - HE2 LYS 109 lone 1 54 - 2 - H THR 116 - HD2 ARG 85 lone 1 60 - 1 - H THR 19 - HD2 ARG 85 lone 1 60 - 1 - H ARG 92 - HE2 LYS 109 lone 1 29 - 2 - H ARG 92 - HE3 LYS 109 lone 1 29 - 2 - H THR 116 - HE2 LYS 109 lone 0 27 - 2 - H THR 116 - HE3 LYS 109 lone 0 27 - 2 - H THR 19 - HE3 LYS 109 lone 0 27 - 1 - H THR 19 - HE2 LYS 109 lone 0 27 - 1 - Peak 7503 from cnoeabs.peaks (6.97, 3.33, 42.24 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.65: HD22 ASN 108 + HD3 ARG 85 OK 36 100 - 36 - 8708/2.9=11, 7832/3.0=11...(7) QE PHE 107 + HD3 ARG 85 OK 30 93 - 32 - 8708/2.9=8, 7498/3.0=7...(8) H LEU 101 + HD3 ARG 85 OK 22 100 - 22 - 8708/2.9=8, 7498/3.0=5...(5) HD22 ASN 12 - HD3 ARG 85 lone 6 90 - 6 - 8708/2.9=2, 7498/3.0=1 Peak 7504 from cnoeabs.peaks (7.98, 3.33, 42.24 ppm; 4.22 A): 1 out of 6 assignments used, quality = 1.00: * HE ARG 85 + HD3 ARG 85 OK 100 100 - 100 - 2.9=100 H LEU 114 - HD3 ARG 85 OK 13 97 - 13 - 7501/1.8=2, 7499/3.0=2...(6) H ARG 92 - HD3 ARG 85 lone 8 83 - 10 - 7499/3.0=2, 7497/3.0=2...(5) H THR 17 - HD3 ARG 85 lone 6 96 - 6 - 7501/1.8=1, 1539/6.2=1 H ALA 89 - HD3 ARG 85 lone 4 71 - 6 - 1715/5.4=2, 7499/3.0=2 H VAL 66 - HD3 ARG 85 lone 3 83 - 3 - Peak 7509 from cnoeabs.peaks (1.10, 3.40, 47.05 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.75: QG2 THR 62 + HA2 GLY 86 OK 70 97 - 73 - 7112=32, 7513/1.8=31...(9) QG2 VAL 120 + HA2 GLY 86 OK 16 71 - 22 - 7513/1.8=8, 7526/3.6=5...(4) Peak 7510 from cnoeabs.peaks (0.94, 3.40, 47.05 ppm; 4.61 A): 8 out of 12 assignments used, quality = 0.94: QD1 LEU 55 + HA2 GLY 86 OK 50 100 - 50 - 2.1/7511=12, 7514/1.8=9...(8) QD1 ILE 63 + HA2 GLY 86 OK 41 100 - 41 - 7154=14, 7149/7509=10...(6) QG2 ILE 22 + HA2 GLY 86 OK 38 95 - 40 - 2154/3.6=9, 3.2/7511=7...(8) QD2 LEU 27 + HA2 GLY 86 OK 25 93 - 26 - 6537/3.6=6, 7514/1.8=3...(9) QD1 LEU 41 + HA2 GLY 86 OK 23 100 - 23 - 7514/1.8=4, 7507/3.0=4...(9) QD1 LEU 27 + HA2 GLY 86 OK 21 97 - 22 - 6538/3.6=4, 7507/3.0=3...(7) QG2 VAL 115 + HA2 GLY 86 OK 16 95 - 17 - 2.1/7511=4, 7514/1.8=3...(6) QG2 VAL 49 + HA2 GLY 86 OK 15 89 - 17 - 2.1/8279=3, 4.3/994=3...(7) QG2 ILE 124 - HA2 GLY 86 poor 10 81 - 12 - 5937/3.6=4, 7507/3.0=2...(5) HB2 GLN 42 - HA2 GLY 86 lone 4 83 - 5 - ~423=1 QD1 LEU 117 - HA2 GLY 86 lone 3 63 - 5 - ~7506=1 QD1 LEU 126 - HA2 GLY 86 lone 1 60 - 2 - Peak 7511 from cnoeabs.peaks (0.85, 3.40, 47.05 ppm; 4.11 A): 6 out of 9 assignments used, quality = 0.85: QD2 LEU 55 + HA2 GLY 86 OK 48 100 - 48 - 7015=12, 7014/1.8=11...(8) HG13 ILE 22 + HA2 GLY 86 OK 34 97 - 35 - 2168/3.6=8, 7515/1.8=6...(9) QD1 LEU 93 + HA2 GLY 86 OK 28 85 - 34 - 7515/1.8=6, 7508/3.0=6...(12) QD2 LEU 114 + HA2 GLY 86 OK 16 100 - 16 - 7508/3.0=4, 7515/1.8=3...(5) QD1 LEU 59 + HA2 GLY 86 OK 16 99 - 16 - 7508/3.0=3, 7515/1.8=3...(5) QG1 VAL 115 + HA2 GLY 86 OK 14 87 - 16 - 7515/1.8=3, 7508/3.0=3...(6) HG13 ILE 80 - HA2 GLY 86 lone 3 81 - 3 - HB2 ASN 118 - HA2 GLY 86 lone 3 68 - 4 - QD2 LEU 126 - HA2 GLY 86 lone 2 73 - 2 - Peak 7512 from cnoeabs.peaks (1.43, 3.72, 47.05 ppm; 4.35 A): 4 out of 14 assignments used, quality = 0.78: QB ALA 89 + HA3 GLY 86 OK 62 99 - 63 - 6162/1.8=19, 7561=17...(10) HB3 LEU 91 + HA3 GLY 86 OK 27 100 - 27 - 7524/3.6=5, 6161/1.8=4...(10) HG LEU 24 + HA3 GLY 86 OK 12 90 - 13 - 6161/1.8=2, 2.1/6467=2...(7) HB2 LEU 51 + HA3 GLY 86 OK 10 93 - 11 - 6161/1.8=2, ~6050=2...(4) QB ALA 98 - HA3 GLY 86 lone 9 97 - 9 - 6162/1.8=2, 7561=2...(5) HD3 LYS 65 - HA3 GLY 86 lone 8 98 - 8 - 6161/1.8=1, 7505/3.0=1...(4) HD2 LYS 65 - HA3 GLY 86 lone 8 98 - 8 - 6161/1.8=1, 7505/3.0=1...(4) HB3 LEU 101 - HA3 GLY 86 lone 7 100 - 7 - 6161/1.8=1, 7505/3.0=1 HB3 LEU 45 - HA3 GLY 86 lone 5 90 - 5 - HB3 GLU 75 - HA3 GLY 86 lone 4 90 - 4 - HG2 LYS 119 - HA3 GLY 86 lone 4 68 - 6 - 7524/3.6=1 HD2 LYS 46 - HA3 GLY 86 lone 3 73 - 5 - 7524/3.6=1 QB ALA 122 - HA3 GLY 86 lone 3 81 - 4 - HG3 LYS 31 - HA3 GLY 86 lone 2 60 - 3 - Peak 7513 from cnoeabs.peaks (1.10, 3.72, 47.05 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.74: QG2 THR 62 + HA3 GLY 86 OK 68 99 - 69 - 7509/1.8=30, 7110=26...(9) QG2 VAL 120 + HA3 GLY 86 OK 17 83 - 21 - 7509/1.8=7, 7526/3.6=5...(4) Peak 7514 from cnoeabs.peaks (0.94, 3.72, 47.05 ppm; 4.61 A): 9 out of 10 assignments used, quality = 0.93: QD1 LEU 55 + HA3 GLY 86 OK 50 99 - 51 - 2.1/7014=11, ~7015=10...(8) QD1 ILE 63 + HA3 GLY 86 OK 35 100 - 35 - 7154/1.8=13...(5) QG2 ILE 22 + HA3 GLY 86 OK 34 87 - 40 - 2154/3.6=9, 3.2/7515=6...(8) QD1 LEU 41 + HA3 GLY 86 OK 22 97 - 23 - 7507/3.0=4, 7510/1.8=4...(9) QD2 LEU 27 + HA3 GLY 86 OK 20 85 - 24 - 6537/3.6=6, 7510/1.8=4...(7) QD1 LEU 27 + HA3 GLY 86 OK 18 90 - 20 - 6538/3.6=4, 7507/3.0=3...(6) QG2 VAL 115 + HA3 GLY 86 OK 16 87 - 19 - 2.1/7515=4, ~7511=3...(7) QG2 VAL 49 + HA3 GLY 86 OK 11 78 - 14 - ~8279=3, ~8407=2...(6) QG2 ILE 124 + HA3 GLY 86 OK 11 90 - 12 - 5937/3.6=5, 7507/3.0=2...(5) HB2 GLN 42 - HA3 GLY 86 lone 4 71 - 6 - ~423=1 Peak 7515 from cnoeabs.peaks (0.84, 3.72, 47.05 ppm; 4.27 A): 7 out of 8 assignments used, quality = 0.91: QD2 LEU 55 + HA3 GLY 86 OK 49 97 - 50 - 7015/1.8=12, 7014=11...(8) HG13 ILE 22 + HA3 GLY 86 OK 38 100 - 38 - 2168/3.6=8, 7511/1.8=8...(9) QD1 LEU 93 + HA3 GLY 86 OK 36 98 - 37 - 7511/1.8=7, 7528/3.6=6...(13) QD2 LEU 114 + HA3 GLY 86 OK 19 93 - 21 - 7508/3.0=4, 7511/1.8=4...(6) QD2 LEU 91 + HA3 GLY 86 OK 19 78 - 24 - 3.1/7512=5, 7528/3.6=4...(7) QD1 LEU 59 + HA3 GLY 86 OK 17 100 - 17 - 7511/1.8=4, 7508/3.0=3...(5) QG1 VAL 115 + HA3 GLY 86 OK 17 99 - 17 - 7511/1.8=3, 7508/3.0=3...(6) HB2 ASN 118 - HA3 GLY 86 lone 4 90 - 4 - Peak 7518 from cnoeabs.peaks (7.08, 3.76, 63.81 ppm; 5.04 A): 3 out of 4 assignments used, quality = 0.83: H LEU 93 + HA CYS 87 OK 69 98 - 70 - 7520/3.0=20, 7549/3.6=12...(19) HZ PHE 96 + HA CYS 87 OK 32 100 - 32 - 7520/3.0=10, 7521/3.0=5...(5) HE ARG 92 + HA CYS 87 OK 19 73 - 26 - 6.9/6164=5, 7520/3.0=4...(5) HD2 HIS 10 - HA CYS 87 lone 1 65 - 1 - Peak 7519 from cnoeabs.peaks (7.74, 2.27, 26.74 ppm; 5.19 A): 3 out of 6 assignments used, quality = 0.72: H LEU 91 + HB2 CYS 87 OK 50 100 - 50 - 4.5/8374=13, 4.5/8375=10...(9) H SER 90 + HB2 CYS 87 OK 36 78 - 47 - 1718/4.2=22, 1719/3.0=12...(7) H ASN 118 + HB2 CYS 87 OK 12 99 - 12 - 4400/8374=2, 1710/4.2=2...(4) H LEU 58 - HB2 CYS 87 poor 10 78 - 13 - 7069/3.0=4, 1710/4.2=2 H LEU 126 - HB2 CYS 87 poor 10 83 - 12 - 644/3.6=3, 1710/4.2=3...(4) H GLY 48 - HB2 CYS 87 lone 2 76 - 2 - Peak 7520 from cnoeabs.peaks (7.08, 2.27, 26.74 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.86: H LEU 93 + HB2 CYS 87 OK 74 98 - 75 - 7518/3.0=19, 7596=17...(17) HZ PHE 96 + HB2 CYS 87 OK 37 100 - 37 - 7518/3.0=9, 7521/1.8=6...(12) HE ARG 92 + HB2 CYS 87 OK 16 73 - 22 - 7518/3.0=5, 7521/1.8=4...(4) HD2 HIS 10 - HB2 CYS 87 lone 1 65 - 1 - Peak 7521 from cnoeabs.peaks (7.10, 2.46, 26.74 ppm; 5.16 A): 5 out of 5 assignments used, quality = 0.93: H LEU 93 + HB3 CYS 87 OK 74 99 - 74 - 4.7/8523=21, 7520/1.8=20...(13) QD PHE 83 + HB3 CYS 87 OK 39 90 - 43 - 2.5/6154=8, 7517/3.6=8...(9) HZ PHE 96 + HB3 CYS 87 OK 36 87 - 42 - 7520/1.8=10, 7518/3.0=8...(11) HE ARG 92 + HB3 CYS 87 OK 24 98 - 24 - 7518/3.0=5, 7520/1.8=4...(6) QD PHE 40 + HB3 CYS 87 OK 13 78 - 17 - 7517/3.6=3, 7475/6153=3...(6) Peak 7530 from cnoeabs.peaks (1.74, 3.76, 63.81 ppm; 4.81 A): 5 out of 16 assignments used, quality = 0.91: HB2 LEU 91 + HA CYS 87 OK 75 100 - 76 - 7584=15, 1.8/7585=11...(22) HB3 LEU 55 + HA CYS 87 OK 39 85 - 46 - 3.1/7533=9, 3.1/7534=8...(12) HB VAL 66 + HA CYS 87 OK 23 97 - 23 - 8654/3.0=5, ~7182=4...(7) HB3 LYS 46 + HA CYS 87 OK 13 92 - 14 - 2.9/7532=2, 2.9/7532=2...(6) HG3 PRO 30 + HA CYS 87 OK 11 65 - 17 - 2.3/2372=2, 2.3/2358=2...(8) HB2 ARG 53 - HA CYS 87 lone 8 100 - 8 - 4.4/1018=2 HB2 LYS 31 - HA CYS 87 lone 7 96 - 7 - HG LEU 117 - HA CYS 87 lone 6 68 - 9 - ~7526=2, 2.1/7086=1 HB2 LEU 45 - HA CYS 87 lone 5 89 - 6 - HB3 ARG 71 - HA CYS 87 lone 5 99 - 5 - HG2 GLN 42 - HA CYS 87 lone 5 76 - 6 - 5.2/1593=2 HG2 ARG 71 - HA CYS 87 lone 4 99 - 4 - HB3 LEU 77 - HA CYS 87 lone 3 68 - 5 - HG3 ARG 71 - HA CYS 87 lone 3 83 - 4 - HD2 LYS 109 - HA CYS 87 lone 2 68 - 2 - HD3 LYS 109 - HA CYS 87 lone 1 60 - 2 - Peak 7531 from cnoeabs.peaks (1.45, 3.76, 63.81 ppm; 4.16 A): 3 out of 15 assignments used, quality = 0.92: HB2 LEU 93 + HA CYS 87 OK 63 97 - 65 - 3.8/7518=11, ~8523=10...(21) QB ALA 89 + HA CYS 87 OK 59 93 - 63 - 4.8/430=15, 3.6/1719=11...(14) HB3 LEU 91 + HA CYS 87 OK 47 71 - 66 - 1.8/7530=11, 3.1/7588=9...(22) QB ALA 14 - HA CYS 87 OK 15 97 - 16 - 6311=4, 2.9/24=2...(4) HG2 LYS 119 - HA CYS 87 OK 15 99 - 15 - 1.8/7532=2, 7537/3.0=2...(7) HD2 LYS 46 - HA CYS 87 OK 14 100 - 14 - 7537/3.0=2, 2.9/7532=2...(6) HD3 LYS 65 - HA CYS 87 OK 12 97 - 13 - 7550/3.6=2, 7537/3.0=2...(5) HD2 LYS 65 - HA CYS 87 OK 12 97 - 13 - 7550/3.6=2, 7537/3.0=2...(5) HB3 LEU 101 - HA CYS 87 lone 8 92 - 9 - 7550/3.6=1, 7537/3.0=1 HG3 ARG 57 - HA CYS 87 lone 8 95 - 8 - 3.0/6076=2, 5.1/1639=1 HG LEU 24 - HA CYS 87 lone 8 100 - 8 - 2.1/6467=1, 7524/3.0=1 HB3 GLU 75 - HA CYS 87 lone 8 100 - 8 - 4.0/1643=1 HG3 LYS 31 - HA CYS 87 lone 5 98 - 6 - HB3 LEU 45 - HA CYS 87 lone 5 100 - 5 - HG2 LYS 109 - HA CYS 87 lone 2 68 - 2 - Peak 7532 from cnoeabs.peaks (1.31, 3.76, 63.81 ppm; 4.59 A): 2 out of 9 assignments used, quality = 1.00: HG CYS 87 + HA CYS 87 OK 100 100 - 100 - 4.6=100 HB3 LEU 84 + HA CYS 87 OK 81 100 - 81 - ~6153=16, ~6151=12...(19) QG2 THR 23 - HA CYS 87 OK 20 98 - 21 - 6450/3.0=8, ~1700=3...(5) HG3 LYS 119 - HA CYS 87 OK 18 96 - 18 - 7525/3.0=3, 1.8/7531=2...(7) HG3 LYS 46 - HA CYS 87 OK 16 81 - 19 - 7525/3.0=2, 2.9/7530=2...(9) HG2 LYS 46 - HA CYS 87 OK 16 81 - 19 - 7525/3.0=2, 2.9/7530=2...(9) QG2 THR 17 - HA CYS 87 OK 12 81 - 15 - 7525/3.0=4, 7551/3.6=2...(6) HG LEU 54 - HA CYS 87 poor 9 65 - 13 - 2.1/3206=2, 3.0/3185=2...(6) QB ALA 43 - HA CYS 87 poor 7 68 - 10 - 7551/3.6=2, 3.6/6164=2...(4) Peak 7533 from cnoeabs.peaks (0.85, 3.76, 63.81 ppm; 3.66 A): 6 out of 9 assignments used, quality = 0.89: QD1 LEU 93 + HA CYS 87 OK 50 85 - 59 - 8523/3.0=12, 2.1/7535=7...(20) QD2 LEU 55 + HA CYS 87 OK 41 100 - 41 - 7083=8, 7005/3.0=8...(12) HG13 ILE 22 + HA CYS 87 OK 35 97 - 36 - 2168/3.0=7, 3.2/7534=5...(12) QD2 LEU 114 + HA CYS 87 OK 20 100 - 20 - 7528/3.0=3, 7553/3.6=2...(6) QD1 LEU 59 + HA CYS 87 OK 19 99 - 19 - 7083=7, 2.1/7086=4...(5) QG1 VAL 115 + HA CYS 87 OK 12 87 - 14 - 2.1/7972=4, 7528/3.0=2 HB2 ASN 118 - HA CYS 87 lone 3 68 - 5 - 4.0/6165=1 HG13 ILE 80 - HA CYS 87 lone 3 81 - 3 - QD2 LEU 126 - HA CYS 87 lone 2 73 - 3 - 4.7/6165=1 Peak 7534 from cnoeabs.peaks (0.94, 3.76, 63.81 ppm; 3.85 A): 8 out of 10 assignments used, quality = 0.87: QD1 LEU 55 + HA CYS 87 OK 38 99 - 38 - 2.1/7533=8, ~7005=5...(13) QD1 ILE 63 + HA CYS 87 OK 36 100 - 36 - 7147/3.0=13, 7527/3.0=5...(9) QG2 ILE 22 + HA CYS 87 OK 33 87 - 38 - 2154/3.0=7, 3.2/7533=5...(13) QG2 ILE 124 + HA CYS 87 OK 17 90 - 19 - 5937/3.0=4, 7539/3.0=2...(11) QG2 VAL 115 + HA CYS 87 OK 14 87 - 16 - 7972=5, 2.1/7533=3...(4) QD1 LEU 41 + HA CYS 87 OK 13 97 - 14 - 4.3/1586=2, 7527/3.0=2...(5) QD1 LEU 27 + HA CYS 87 OK 10 90 - 11 - ~6537=3, 6538/3.0=3, ~7527=1 QD2 LEU 27 + HA CYS 87 OK 10 85 - 12 - 6537/3.0=4, ~6538=2, ~7527=1 HB2 GLN 42 - HA CYS 87 lone 3 71 - 5 - 4.0/1593=2 QG2 VAL 49 - HA CYS 87 lone 3 78 - 4 - ~6038=1 Peak 7535 from cnoeabs.peaks (0.74, 3.76, 63.81 ppm; 3.69 A): 5 out of 7 assignments used, quality = 0.95: QD1 LEU 91 + HA CYS 87 OK 59 100 - 59 - 7588=12, 2.1/7587=8...(19) QD2 LEU 93 + HA CYS 87 OK 55 90 - 61 - ~8523=10, 2.1/7533=9...(22) QD1 LEU 84 + HA CYS 87 OK 45 98 - 46 - ~7548=7, ~7547=7...(14) QD2 LEU 111 + HA CYS 87 OK 27 99 - 27 - 2.1/7900=4, 7904=3...(10) HG LEU 111 + HA CYS 87 OK 26 96 - 27 - 2.1/7900=4, 8522/3.0=3...(10) QG2 ILE 63 - HA CYS 87 OK 24 78 - 31 - 7142/3.0=7, 3.2/7534=5...(10) QD1 LEU 114 - HA CYS 87 OK 16 92 - 18 - 2.1/7533=4, 4.4/6164=2...(6) Peak 7537 from cnoeabs.peaks (1.45, 2.27, 26.74 ppm; 4.25 A): 8 out of 15 assignments used, quality = 0.95: HB2 LEU 93 + HB2 CYS 87 OK 68 97 - 70 - ~8523=14, 3.8/7520=12...(19) HB3 LEU 91 + HB2 CYS 87 OK 43 71 - 61 - 3.1/8374=12, 3.1/8375=9...(17) QB ALA 89 + HB2 CYS 87 OK 42 93 - 45 - 4.8/431=16, 7531/3.0=7...(9) HG2 LYS 119 + HB2 CYS 87 OK 15 99 - 15 - 1.8/7538=2, ~7543=2...(5) HD2 LYS 65 + HB2 CYS 87 OK 14 97 - 14 - 2.9/7539=2, 2.9/7539=2...(7) HD3 LYS 65 + HB2 CYS 87 OK 14 97 - 14 - 2.9/7539=2, 2.9/7539=2...(7) HD2 LYS 46 + HB2 CYS 87 OK 14 100 - 14 - 7542/1.8=2, 2.9/7538=2...(5) QB ALA 14 + HB2 CYS 87 OK 13 97 - 13 - 6311/3.0=3, 7542/1.8=1 HB3 LEU 101 - HB2 CYS 87 lone 9 92 - 10 - 3.1/7539=2, 7542/1.8=1 HG LEU 24 - HB2 CYS 87 lone 7 100 - 7 - 7524/3.6=1, ~6467=1 HB3 GLU 75 - HB2 CYS 87 lone 6 100 - 6 - HG3 ARG 57 - HB2 CYS 87 lone 6 95 - 6 - HG3 LYS 31 - HB2 CYS 87 lone 5 98 - 5 - HB3 LEU 45 - HB2 CYS 87 lone 4 100 - 4 - HG2 LYS 109 - HB2 CYS 87 lone 1 68 - 2 - Peak 7538 from cnoeabs.peaks (1.31, 2.27, 26.74 ppm; 4.05 A): 2 out of 9 assignments used, quality = 1.00: HG CYS 87 + HB2 CYS 87 OK 100 100 - 100 - 3.4=100 HB3 LEU 84 + HB2 CYS 87 OK 74 100 - 74 - 3.0/6151=18, ~6153=17...(17) QG2 THR 23 - HB2 CYS 87 OK 14 98 - 15 - 6450/3.6=6, 7543/1.8=2...(5) HG3 LYS 119 - HB2 CYS 87 OK 14 96 - 15 - 7543/1.8=2, 1.8/7537=2...(7) HG3 LYS 46 - HB2 CYS 87 OK 12 81 - 14 - 7543/1.8=2, 7525/3.6=2...(6) HG2 LYS 46 - HB2 CYS 87 OK 12 81 - 14 - 7543/1.8=2, 7525/3.6=2...(6) QG2 THR 17 - HB2 CYS 87 poor 8 81 - 10 - 7525/3.6=3, 7543/1.8=2...(5) HG LEU 54 - HB2 CYS 87 lone 4 65 - 6 - ~3206=1 QB ALA 43 - HB2 CYS 87 lone 4 68 - 5 - 7551/4.2=1, 7525/3.6=1 Peak 7539 from cnoeabs.peaks (0.96, 2.27, 26.74 ppm; 3.83 A): 4 out of 9 assignments used, quality = 0.77: QG2 THR 95 + HB2 CYS 87 OK 54 95 - 57 - 8529/1.8=29, 8530=22...(8) QD1 ILE 63 + HB2 CYS 87 OK 28 81 - 34 - 7147/1.8=13, ~7142=6...(8) QD1 LEU 55 + HB2 CYS 87 OK 21 65 - 32 - 2.1/7016=7, 7544/1.8=5...(10) QG2 ILE 124 + HB2 CYS 87 OK 15 100 - 15 - 5937/3.6=4, 7544/1.8=3...(5) HG3 LYS 65 - HB2 CYS 87 poor 10 85 - 11 - 7552/4.2=2, 7544/1.8=2...(5) HG2 LYS 65 - HB2 CYS 87 poor 10 85 - 11 - 7552/4.2=2, 7544/1.8=2...(5) QG1 VAL 18 - HB2 CYS 87 poor 9 76 - 11 - 3.2/6152=2, 7544/1.8=2...(4) QD1 LEU 101 - HB2 CYS 87 poor 8 73 - 11 - 7544/1.8=2, 7552/4.2=2 QD1 LEU 41 - HB2 CYS 87 lone 4 57 - 7 - 7527/3.6=2, 7534/3.0=1, ~6008=1 Peak 7540 from cnoeabs.peaks (0.83, 2.27, 26.74 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.94: QD1 LEU 93 + HB2 CYS 87 OK 75 100 - 75 - 8523/1.8=23, 8524=13...(19) QD2 LEU 91 + HB2 CYS 87 OK 65 96 - 68 - 8374=18, 2.1/8375=10...(18) QD2 LEU 55 + HB2 CYS 87 OK 33 83 - 40 - 7016=8, 7005/3.6=7...(10) HG13 ILE 22 - HB2 CYS 87 OK 27 97 - 28 - 2168/3.6=8, 7533/3.0=4...(7) QD2 LEU 114 - HB2 CYS 87 OK 17 73 - 23 - 7528/3.6=3, 7533/3.0=3...(9) QG1 VAL 115 - HB2 CYS 87 OK 17 100 - 17 - 7545/1.8=2, 7528/3.6=2...(7) QD1 LEU 59 - HB2 CYS 87 OK 17 93 - 18 - 7083/3.0=5, 7528/3.6=3...(6) QD1 ILE 22 - HB2 CYS 87 OK 15 65 - 23 - 2175/3.6=5, ~7533=4...(7) HB2 ASN 118 - HB2 CYS 87 lone 7 99 - 7 - 4.0/7519=2 Peak 7541 from cnoeabs.peaks (0.75, 2.27, 26.74 ppm; 3.98 A): 3 out of 8 assignments used, quality = 0.95: QD2 LEU 93 + HB2 CYS 87 OK 68 99 - 68 - ~8523=15, 2.1/8524=10...(19) QD1 LEU 84 + HB2 CYS 87 OK 64 100 - 64 - 3.9/6151=15, 2.1/7547=14...(15) QD1 LEU 91 + HB2 CYS 87 OK 61 100 - 61 - 2.1/8374=13, 8375=10...(17) QG2 ILE 63 - HB2 CYS 87 OK 38 96 - 39 - 7142/1.8=13, ~7147=8...(8) HG LEU 111 - HB2 CYS 87 OK 31 100 - 31 - 8522/1.8=4, 7535/3.0=3...(12) QD2 LEU 111 - HB2 CYS 87 OK 26 90 - 29 - 8522/1.8=4, ~8522=3...(11) QG2 VAL 66 - HB2 CYS 87 OK 13 73 - 17 - 7191/1.8=4, ~7182=4...(5) QD1 LEU 114 - HB2 CYS 87 OK 12 71 - 17 - 2.1/7540=2, ~7533=2...(7) Peak 7542 from cnoeabs.peaks (1.45, 2.46, 26.74 ppm; 4.73 A): 3 out of 16 assignments used, quality = 0.93: HB2 LEU 93 + HB3 CYS 87 OK 67 90 - 75 - 3.1/8523=24, 3.1/8522=12...(19) HB3 LEU 91 + HB3 CYS 87 OK 57 83 - 69 - ~8374=10, 3.1/7545=8...(19) QB ALA 89 + HB3 CYS 87 OK 49 98 - 50 - 4.8/432=25, 7531/3.0=8...(7) HD2 LYS 65 - HB3 CYS 87 OK 17 99 - 17 - 7537/1.8=2, 2.9/7544=2...(9) HD3 LYS 65 - HB3 CYS 87 OK 17 99 - 17 - 7537/1.8=2, 2.9/7544=2...(9) HD2 LYS 46 - HB3 CYS 87 OK 17 98 - 17 - 7537/1.8=2, 2.9/7543=2...(8) HG2 LYS 119 - HB3 CYS 87 OK 16 97 - 17 - 1.8/7543=3, 7537/1.8=2...(7) QB ALA 14 - HB3 CYS 87 OK 14 90 - 15 - 6311/3.0=3, 7537/1.8=2...(4) HB3 LEU 101 - HB3 CYS 87 OK 11 97 - 11 - 3.1/7544=2, 7537/1.8=2...(6) HG LEU 24 - HB3 CYS 87 lone 8 100 - 8 - 7524/3.6=2, ~6467=1...(4) HB2 LEU 51 - HB3 CYS 87 poor 8 60 - 13 - 3.1/7548=4, ~7547=3...(4) HB3 GLU 75 - HB3 CYS 87 lone 6 100 - 6 - 7531/3.0=1, 7537/1.8=1 HG3 ARG 57 - HB3 CYS 87 lone 6 87 - 7 - ~6076=1, 7531/3.0=1 HG3 LYS 31 - HB3 CYS 87 lone 5 93 - 6 - HB3 LEU 45 - HB3 CYS 87 lone 5 100 - 5 - QB ALA 98 - HB3 CYS 87 lone 5 68 - 7 - 7668/7548=2, 7524/3.6=1 Peak 7543 from cnoeabs.peaks (1.31, 2.46, 26.74 ppm; 3.72 A): 2 out of 8 assignments used, quality = 1.00: * HG CYS 87 + HB3 CYS 87 OK 100 100 - 100 - 3.4=100 HB3 LEU 84 + HB3 CYS 87 OK 68 100 - 68 - 3.0/6153=22, 3.1/7548=11...(17) QG2 THR 23 - HB3 CYS 87 OK 13 100 - 13 - 6450/3.6=5, 7538/1.8=2...(5) HG3 LYS 119 - HB3 CYS 87 OK 12 99 - 13 - 7538/1.8=2, 7525/3.6=2...(6) HG3 LYS 46 - HB3 CYS 87 OK 11 90 - 12 - 7538/1.8=2, 7525/3.6=1...(5) HG2 LYS 46 - HB3 CYS 87 OK 11 90 - 12 - 7538/1.8=2, 7525/3.6=1...(5) QG2 THR 17 - HB3 CYS 87 lone 9 90 - 9 - 7525/3.6=2, 6340/6153=1...(4) QB ALA 43 - HB3 CYS 87 lone 4 81 - 5 - 7551/4.2=1 Peak 7544 from cnoeabs.peaks (0.96, 2.46, 26.74 ppm; 3.81 A): 4 out of 9 assignments used, quality = 0.79: QG2 THR 95 + HB3 CYS 87 OK 54 95 - 57 - 8529=35, 8530/1.8=17...(6) QD1 ILE 63 + HB3 CYS 87 OK 34 81 - 42 - 7147=17, 3.2/7142=9...(8) QD1 LEU 55 + HB3 CYS 87 OK 21 65 - 33 - ~7016=5, 7539/1.8=5...(11) QG2 ILE 124 + HB3 CYS 87 OK 14 100 - 14 - 5937/3.6=4, 7539/1.8=4...(5) HG3 LYS 65 - HB3 CYS 87 poor 9 85 - 11 - 7539/1.8=2, 7552/4.2=2...(5) HG2 LYS 65 - HB3 CYS 87 poor 9 85 - 11 - 7539/1.8=2, 7552/4.2=2...(5) QG1 VAL 18 - HB3 CYS 87 poor 9 76 - 12 - 3.2/6154=2, 7539/1.8=2...(5) QD1 LEU 101 - HB3 CYS 87 poor 7 73 - 10 - 7539/1.8=2, 7552/4.2=2...(4) QD1 LEU 41 - HB3 CYS 87 lone 4 57 - 7 - 7527/3.6=2, 7534/3.0=1, ~6008=1 Peak 7545 from cnoeabs.peaks (0.83, 2.46, 26.74 ppm; 4.20 A): 4 out of 9 assignments used, quality = 0.94: QD1 LEU 93 + HB3 CYS 87 OK 72 100 - 72 - 8523=25, 8524/1.8=12...(19) QD2 LEU 91 + HB3 CYS 87 OK 58 96 - 61 - 8374/1.8=15, 7587/3.0=8...(17) QD2 LEU 55 + HB3 CYS 87 OK 30 83 - 36 - 7016/1.8=7, 7005/3.6=7...(9) HG13 ILE 22 + HB3 CYS 87 OK 26 97 - 26 - 2168/3.6=8, 7533/3.0=4...(8) QD2 LEU 114 - HB3 CYS 87 OK 16 73 - 22 - 7528/3.6=3, 7533/3.0=3...(10) QG1 VAL 115 - HB3 CYS 87 OK 16 100 - 16 - 7540/1.8=2, 7528/3.6=2...(7) QD1 ILE 22 - HB3 CYS 87 OK 14 65 - 22 - 2175/3.6=5, ~7533=4...(8) QD1 LEU 59 - HB3 CYS 87 OK 14 93 - 15 - 7083/3.0=5, 7528/3.6=3...(5) HB2 ASN 118 - HB3 CYS 87 lone 4 99 - 4 - Peak 7546 from cnoeabs.peaks (0.75, 2.46, 26.74 ppm; 4.26 A): 3 out of 8 assignments used, quality = 0.97: QD2 LEU 93 + HB3 CYS 87 OK 73 99 - 74 - 2.1/8523=23, 8522=12...(20) QD1 LEU 84 + HB3 CYS 87 OK 72 100 - 72 - 3.9/6153=24, 2.1/7548=17...(15) QD1 LEU 91 + HB3 CYS 87 OK 62 100 - 62 - 8375/1.8=11, ~8374=11...(16) QG2 ILE 63 - HB3 CYS 87 OK 45 96 - 47 - 7142=16, 3.2/7147=14...(9) HG LEU 111 - HB3 CYS 87 OK 37 100 - 37 - 8522=5, 7541/1.8=4...(15) QD2 LEU 111 - HB3 CYS 87 OK 31 90 - 34 - 2.1/8522=5, 8522=4...(13) QG2 VAL 66 - HB3 CYS 87 OK 17 73 - 24 - 2.1/7182=6, 2.1/8654=4...(8) QD1 LEU 114 - HB3 CYS 87 OK 12 71 - 17 - 2.1/7545=2, ~7533=2...(6) Peak 7547 from cnoeabs.peaks (0.14, 2.27, 26.74 ppm; 5.12 A): 3 out of 3 assignments used, quality = 0.89: QD2 LEU 84 + HB2 CYS 87 OK 80 99 - 81 - 7548/1.8=26, 3.9/6151=24...(16) QG1 VAL 110 + HB2 CYS 87 OK 32 99 - 32 - 7548/1.8=10, 7529/3.6=8...(7) QD2 LEU 51 + HB2 CYS 87 OK 20 95 - 21 - 7548/1.8=6, 7529/3.6=5...(5) Peak 7548 from cnoeabs.peaks (0.14, 2.46, 26.74 ppm; 4.97 A): 3 out of 3 assignments used, quality = 0.90: QD2 LEU 84 + HB3 CYS 87 OK 82 100 - 82 - 3.9/6153=31, 7547/1.8=23...(16) QG1 VAL 110 + HB3 CYS 87 OK 32 100 - 32 - 7547/1.8=9, 7529/3.6=7...(8) QD2 LEU 51 + HB3 CYS 87 OK 19 87 - 21 - 7547/1.8=6, 7529/3.6=5...(5) Peak 7555 from cnoeabs.peaks (4.18, 3.81, 46.68 ppm; 4.47 A): 3 out of 21 assignments used, quality = 0.75: HA ARG 92 + HA2 GLY 88 OK 45 99 - 46 - 7592=12, 7592/1.8=11...(10) HA ARG 92 + HA3 GLY 88 OK 45 98 - 46 - 7592=12, 7592/1.8=11...(9) HA SER 78 + HA3 GLY 39 OK 17 54 - 31 - ~6011=6, ~1657=5...(10) HA GLU 28 - HA2 GLY 88 poor 9 83 - 11 - 6544=2, 6544/1.8=2...(4) HA GLU 28 - HA3 GLY 88 poor 9 82 - 11 - 6544=2, 6544/1.8=2...(4) HA GLU 28 - HA3 GLY 39 poor 8 42 - 19 - 6544=4, 2304/3.6=3...(8) HA SER 78 - HA3 GLY 88 lone 6 97 - 6 - 5733/3.0=1 HA SER 78 - HA2 GLY 88 lone 6 97 - 6 - 5733/3.0=1 HA3 GLY 61 - HA2 GLY 88 lone 5 90 - 6 - 3.6/286=1 HA3 GLY 61 - HA3 GLY 88 lone 5 90 - 6 - 3484/1.8=1 HB2 SER 113 - HA2 GLY 88 lone 3 71 - 5 - 5890/3.6=2 HB2 SER 113 - HA3 GLY 88 lone 3 70 - 5 - 5890/3.6=2 HA GLU 56 - HA3 GLY 39 lone 3 55 - 5 - ~250=2 HA ARG 92 - HA3 GLY 39 lone 3 56 - 4 - 7592=1, 3.6/7593=1 HA PRO 68 - HA3 GLY 39 lone 3 55 - 5 - 7224/1.8=2 HA GLU 56 - HA2 GLY 88 lone 2 98 - 3 - HA GLU 56 - HA3 GLY 88 lone 2 98 - 3 - HA PRO 68 - HA2 GLY 88 lone 2 98 - 2 - HA PRO 68 - HA3 GLY 88 lone 2 98 - 2 - HA3 GLY 61 - HA3 GLY 39 lone 1 48 - 2 - HB2 SER 113 - HA3 GLY 39 lone 1 35 - 2 - Peak 7556 from cnoeabs.peaks (1.44, 3.81, 46.68 ppm; 4.94 A): 2 out of 51 assignments used, quality = 1.00: QB ALA 89 + HA2 GLY 88 OK 100 100 - 100 - 4.3=100 QB ALA 89 + HA3 GLY 88 OK 100 100 - 100 - 4.3=100 HB3 LEU 91 - HA2 GLY 88 OK 30 97 - 31 - 5790/3.6=7, 4.2/7591=7...(8) HB3 LEU 91 - HA3 GLY 88 OK 30 97 - 31 - 5790/3.6=7, 4.2/7591=7...(8) HB2 LEU 93 - HA2 GLY 88 OK 19 68 - 28 - 3.8/7593=8, 3.1/8526=6...(7) HB2 LEU 93 - HA3 GLY 88 OK 19 67 - 28 - 3.8/7593=8, 3.1/8526=5...(7) HD2 LYS 65 - HA2 GLY 88 OK 14 100 - 14 - 7550/3.0=3, 5680/3.6=3...(5) HD3 LYS 65 - HA2 GLY 88 OK 14 100 - 14 - 7550/3.0=3, 5680/3.6=3...(5) HD3 LYS 65 - HA3 GLY 88 OK 14 100 - 14 - 7550/3.0=3, 5680/3.6=3...(5) HD2 LYS 65 - HA3 GLY 88 OK 14 100 - 14 - 7550/3.0=3, 5680/3.6=3...(5) HG2 LYS 119 - HA2 GLY 88 OK 13 81 - 16 - ~7551=2, 7550/3.0=2, 5221/1.8=1 HG2 LYS 119 - HA3 GLY 88 OK 13 80 - 16 - ~7551=2, 7550/3.0=2, 2.9/6252=1 HB3 GLU 75 - HA3 GLY 39 poor 10 53 - 19 - 3961/1.8=4, ~6093=3...(7) HB3 LEU 101 - HA3 GLY 88 lone 9 100 - 9 - 7550/3.0=2, ~7552=2 HB3 LEU 101 - HA2 GLY 88 lone 8 100 - 8 - 7550/3.0=2, ~7552=2 HG LEU 24 - HA3 GLY 39 poor 8 53 - 15 - 2215/2.9=5, ~2229=3...(5) HB3 LEU 101 - HA3 GLY 39 lone 6 59 - 10 - 5834/3.6=3, ~6014=1, ~7716=1 HD2 LYS 46 - HA3 GLY 88 lone 5 84 - 6 - 7550/3.0=1, ~7551=1 HD2 LYS 46 - HA2 GLY 88 lone 5 85 - 6 - 7550/3.0=1, ~7551=1 QB ALA 98 - HA3 GLY 88 lone 5 90 - 5 - 7550/3.0=1 QB ALA 98 - HA2 GLY 88 lone 5 90 - 5 - 7550/3.0=1 HB3 GLU 75 - HA2 GLY 88 lone 5 97 - 5 - HB3 GLU 75 - HA3 GLY 88 lone 4 96 - 4 - QB ALA 122 - HA3 GLY 88 lone 4 67 - 6 - QB ALA 122 - HA2 GLY 88 lone 4 68 - 6 - HG LEU 24 - HA2 GLY 88 lone 4 97 - 4 - 7550/3.0=1 HG LEU 24 - HA3 GLY 88 lone 4 96 - 4 - 7550/3.0=1 QB ALA 89 - HA3 GLY 39 lone 3 59 - 6 - HB3 LEU 45 - HA2 GLY 88 lone 3 97 - 3 - HB3 LEU 45 - HA3 GLY 88 lone 3 96 - 3 - HB2 LEU 51 - HA3 GLY 39 lone 3 44 - 6 - ~6935=2, ~6056=1 HB2 LEU 51 - HA3 GLY 88 lone 2 84 - 3 - HB2 LEU 51 - HA2 GLY 88 lone 2 85 - 3 - HB2 LEU 93 - HA3 GLY 39 lone 2 33 - 7 - 3.8/7593=1, 3.1/8526=1 HG3 LYS 31 - HA2 GLY 88 lone 2 73 - 3 - HG3 LYS 31 - HA3 GLY 88 lone 2 73 - 3 - HB3 LEU 91 - HA3 GLY 39 lone 2 54 - 4 - HG2 LYS 119 - HA3 GLY 39 lone 2 41 - 5 - QB ALA 14 - HA3 GLY 39 lone 2 33 - 6 - 6731/2.9=2, 6314/3.6=1 HG3 ARG 57 - HA3 GLY 39 lone 2 30 - 6 - ~5550=1, 6731/2.9=1, ~155=1 QB ALA 14 - HA3 GLY 88 lone 2 67 - 2 - QB ALA 14 - HA2 GLY 88 lone 2 68 - 2 - QB ALA 98 - HA3 GLY 39 lone 2 48 - 3 - 7655/3.6=1 HG3 LYS 31 - HA3 GLY 39 lone 1 36 - 4 - HG3 ARG 57 - HA2 GLY 88 lone 1 63 - 2 - HG3 ARG 57 - HA3 GLY 88 lone 1 62 - 2 - HD3 LYS 65 - HA3 GLY 39 lone 1 58 - 2 - HD2 LYS 65 - HA3 GLY 39 lone 1 58 - 2 - HB3 LEU 45 - HA3 GLY 39 lone 1 53 - 2 - HD2 LYS 46 - HA3 GLY 39 lone 1 44 - 2 - QB ALA 122 - HA3 GLY 39 lone 1 33 - 2 - Peak 7560 from cnoeabs.peaks (3.79, 4.24, 53.63 ppm; 4.88 A): 3 out of 22 assignments used, quality = 0.91: HB2 SER 90 + HA ALA 89 OK 69 100 - 70 - 4364/3.6=22, ~7561=16...(11) HA2 GLY 88 + HA ALA 89 OK 48 89 - 54 - ~433=14, ~1491=12...(8) HA3 GLY 88 + HA ALA 89 OK 43 81 - 53 - ~433=14, ~1491=12...(8) HB2 SER 29 - HA ALA 89 lone 5 85 - 5 - 1213/3.6=1 HB3 SER 29 - HA ALA 89 lone 4 83 - 5 - 1213/3.6=1 HA3 GLY 39 - HA ALA 89 lone 3 93 - 3 - HA2 GLY 61 - HA ALA 89 lone 2 100 - 2 - HB3 SER 74 - HA ALA 89 lone 2 95 - 2 - HB2 SER 74 - HA ALA 89 lone 2 96 - 2 - HD2 PRO 30 - HA ALA 89 lone 2 63 - 3 - HB2 SER 72 - HA ALA 89 lone 2 87 - 2 - HA2 GLY 88 - HA ALA 122 lone 1 26 - 5 - HA3 GLY 88 - HA ALA 122 lone 1 23 - 5 - HB2 SER 90 - HA ALA 122 lone 1 33 - 3 - HB2 SER 29 - HA ALA 122 lone 1 24 - 4 - HB3 SER 29 - HA ALA 122 lone 1 24 - 4 - HA2 GLY 61 - HA ALA 122 lone 0 34 - 1 - HA3 GLY 39 - HA ALA 122 lone 0 28 - 1 - HB2 SER 74 - HA ALA 122 lone 0 30 - 1 - HB3 SER 74 - HA ALA 122 lone 0 29 - 1 - HB2 SER 72 - HA ALA 122 lone 0 25 - 1 - HD2 PRO 30 - HA ALA 122 lone 0 16 - 1 - Peak 7561 from cnoeabs.peaks (3.72, 1.44, 18.69 ppm; 3.73 A): 2 out of 18 assignments used, quality = 0.81: HB3 SER 90 + QB ALA 89 OK 62 99 - 63 - 1721/3.6=18, 7577=14...(14) HA3 GLY 86 + QB ALA 89 OK 50 100 - 50 - 1.8/6162=14, 7512=12...(10) HB2 TRP 20 - QB ALA 89 lone 5 83 - 6 - HA3 GLY 86 - QB ALA 98 lone 5 66 - 7 - 7512=2, 1.8/6162=1 HA GLU 73 - QB ALA 89 lone 4 87 - 4 - HA LEU 54 - QB ALA 89 lone 3 78 - 4 - HB3 SER 90 - QB ALA 98 lone 2 63 - 4 - HA2 GLY 104 - QB ALA 89 lone 2 97 - 2 - HA3 GLY 86 - QB ALA 122 lone 2 62 - 3 - HA GLU 73 - QB ALA 98 lone 2 51 - 3 - 3.0/8536=1 HB3 SER 90 - QB ALA 122 lone 1 60 - 2 - HA LEU 54 - QB ALA 98 lone 1 45 - 2 - HA LEU 54 - QB ALA 122 lone 1 42 - 2 - HB2 TRP 20 - QB ALA 98 lone 1 48 - 1 - HA2 GLY 104 - QB ALA 98 lone 1 61 - 1 - HA2 GLY 104 - QB ALA 122 lone 1 57 - 1 - HA GLU 73 - QB ALA 122 lone 0 48 - 1 - HB2 TRP 20 - QB ALA 122 lone 0 45 - 1 - Peak 7562 from cnoeabs.peaks (3.82, 1.44, 18.69 ppm; 3.96 A): 2 out of 36 assignments used, quality = 0.97: HA3 GLY 88 + QB ALA 89 OK 85 98 - 87 - 4.3=77, 3.0/7550=12...(9) HA2 GLY 88 + QB ALA 89 OK 82 95 - 87 - 4.3=77, 3.0/7550=12...(9) HB2 SER 90 - QB ALA 89 OK 41 71 - 59 - 1.8/7561=18, 3.8/5784=14...(12) HA LYS 119 - QB ALA 122 OK 24 58 - 42 - 6267/2.9=25, 6272=10...(5) HA LEU 77 - QB ALA 98 OK 11 56 - 20 - 4.0/7345=6, 7343=5...(5) HA LYS 119 - QB ALA 89 lone 8 97 - 8 - HA THR 116 - QB ALA 89 lone 7 99 - 7 - HA THR 116 - QB ALA 122 poor 7 60 - 12 - 1805/2.9=5, 1810/3.6=3 HA LEU 77 - QB ALA 89 lone 5 92 - 5 - HB3 SER 29 - QB ALA 89 lone 5 97 - 5 - HA THR 19 - QB ALA 89 lone 4 83 - 5 - HB2 SER 29 - QB ALA 89 lone 4 97 - 5 - HA THR 116 - QB ALA 98 lone 4 64 - 6 - HA GLU 15 - QB ALA 98 poor 4 36 - 11 - 1904/3.5=2, ~1910=1...(5) HA LYS 119 - QB ALA 98 lone 4 62 - 6 - 6272=2 HA LEU 77 - QB ALA 122 lone 4 52 - 7 - 7343=2, 1805/2.9=1, 1810/3.6=1 HA3 GLY 39 - QB ALA 89 lone 3 90 - 3 - HA THR 19 - QB ALA 122 lone 3 45 - 6 - 1805/2.9=2, 1810/3.6=1 HA3 GLY 88 - QB ALA 122 lone 2 59 - 4 - HA THR 19 - QB ALA 98 lone 2 48 - 5 - HA2 GLY 88 - QB ALA 122 lone 2 55 - 4 - HA3 GLY 88 - QB ALA 98 lone 2 63 - 3 - 3.0/7550=1 HB3 SER 29 - QB ALA 122 lone 2 58 - 4 - HB2 SER 29 - QB ALA 122 lone 2 57 - 4 - HA GLU 15 - QB ALA 89 lone 2 65 - 3 - HA2 GLY 88 - QB ALA 98 lone 2 58 - 3 - 3.0/7550=1 HB2 SER 90 - QB ALA 98 lone 2 40 - 4 - HA2 GLY 61 - QB ALA 89 lone 1 57 - 2 - HB2 SER 90 - QB ALA 122 lone 1 37 - 3 - HB3 SER 29 - QB ALA 98 lone 1 62 - 1 - HB2 SER 29 - QB ALA 98 lone 1 61 - 1 - HA3 GLY 39 - QB ALA 98 lone 1 54 - 2 - HA GLU 15 - QB ALA 122 lone 1 34 - 2 - HA3 GLY 39 - QB ALA 122 lone 1 51 - 1 - HA2 GLY 61 - QB ALA 98 lone 0 31 - 1 - HA2 GLY 61 - QB ALA 122 lone 0 29 - 1 - Peak 7563 from cnoeabs.peaks (1.92, 1.44, 18.69 ppm; 3.70 A): 6 out of 48 assignments used, quality = 0.72: HB ILE 80 + QB ALA 98 OK 35 65 - 54 - 2.1/7400=9, ~7429=8...(15) HB2 LEU 84 + QB ALA 98 OK 20 57 - 36 - ~7482=5, ~7661=4...(14) HB ILE 80 + QB ALA 89 OK 18 100 - 18 - 2.1/7400=2, 3.0/7565=2...(9) HB2 ARG 81 + QB ALA 98 OK 16 63 - 25 - 8536=7, 3.0/7435=6...(6) HG LEU 84 + QB ALA 98 OK 13 33 - 40 - ~7482=7, ~7661=6...(13) HG LEU 58 + QB ALA 89 OK 11 92 - 11 - 3368/3.6=2, 3369/2.1=2...(4) HB2 ARG 81 - QB ALA 89 lone 8 98 - 8 - 8536=2, 4.0/7436=2, 3.0/7435=2 HB ILE 22 - QB ALA 89 lone 8 99 - 8 - 2.9/7565=2 HB3 LYS 119 - QB ALA 122 poor 8 36 - 22 - ~6267=9, ~1805=6...(4) HB ILE 80 - QB ALA 122 lone 5 61 - 9 - 2.1/7400=1, 7425=1 HG LEU 58 - QB ALA 122 lone 5 52 - 9 - ~8096=3, 3369/2.1=1, ~3383=1 HB2 LEU 21 - QB ALA 89 lone 4 98 - 4 - 3.0/6162=1 HB2 LEU 84 - QB ALA 89 lone 4 93 - 5 - HB3 GLU 73 - QB ALA 89 lone 4 99 - 4 - HB3 LYS 119 - QB ALA 89 lone 4 68 - 6 - HB3 GLU 73 - QB ALA 98 lone 4 65 - 6 - 8536=2 HB2 LEU 21 - QB ALA 98 lone 3 63 - 6 - HB3 GLU 64 - QB ALA 89 lone 3 87 - 3 - HB2 GLU 64 - QB ALA 89 lone 3 83 - 3 - HB2 ARG 81 - QB ALA 122 lone 3 59 - 5 - 8536=1, 3.0/7435=1 HB2 GLU 28 - QB ALA 89 lone 3 95 - 3 - HB2 GLU 38 - QB ALA 89 lone 3 73 - 4 - 3.0/6707=1 HG LEU 84 - QB ALA 89 lone 2 60 - 4 - HB2 GLU 28 - QB ALA 98 lone 2 58 - 4 - HB ILE 22 - QB ALA 98 lone 2 63 - 3 - HG LEU 58 - QB ALA 98 lone 2 56 - 3 - HB3 MET 11 - QB ALA 98 lone 2 66 - 3 - 4.1/7692=1 HB3 GLU 64 - QB ALA 98 lone 1 51 - 3 - HB2 LYS 109 - QB ALA 89 lone 1 83 - 2 - HB2 GLU 64 - QB ALA 98 lone 1 48 - 3 - HB2 LEU 21 - QB ALA 122 lone 1 59 - 2 - HB2 LYS 109 - QB ALA 98 lone 1 48 - 3 - HB3 LYS 119 - QB ALA 98 lone 1 38 - 3 - HB3 MET 11 - QB ALA 89 lone 1 100 - 1 - HB ILE 22 - QB ALA 122 lone 1 60 - 2 - HB3 GLU 73 - QB ALA 122 lone 1 61 - 2 - HB2 LEU 84 - QB ALA 122 lone 1 54 - 2 - HB2 GLU 38 - QB ALA 98 lone 1 41 - 2 - HB3 GLU 69 - QB ALA 98 lone 1 38 - 2 - HB3 GLU 64 - QB ALA 122 lone 1 48 - 1 - HB3 GLU 69 - QB ALA 89 lone 1 68 - 1 - HB2 GLU 64 - QB ALA 122 lone 1 45 - 1 - HB3 MET 11 - QB ALA 122 lone 1 63 - 1 - HB2 GLU 28 - QB ALA 122 lone 0 55 - 1 - HB2 LYS 109 - QB ALA 122 lone 0 45 - 1 - HG LEU 84 - QB ALA 122 lone 0 31 - 1 - HB2 GLU 38 - QB ALA 122 lone 0 39 - 1 - HB3 GLU 69 - QB ALA 122 lone 0 36 - 1 - Peak 7564 from cnoeabs.peaks (1.12, 1.44, 18.69 ppm; 3.82 A): 3 out of 12 assignments used, quality = 0.54: QG2 VAL 120 + QB ALA 122 OK 27 61 - 44 - 8042/3.6=17, 8097/2.9=11...(6) QG2 THR 62 + QB ALA 89 OK 26 98 - 26 - 7567/3.6=10, 7112/6162=3...(8) QG2 VAL 120 + QB ALA 89 OK 15 100 - 15 - 7567/3.6=4, 8178=2, 8369/4403=1 QG2 VAL 50 - QB ALA 98 poor 9 53 - 17 - ~7674=3, 2.1/7667=3...(7) QD2 LEU 117 - QB ALA 89 lone 7 89 - 8 - 7567/3.6=3 QG2 VAL 50 - QB ALA 89 lone 5 89 - 6 - 3.2/6162=2 QG2 VAL 120 - QB ALA 98 lone 4 65 - 7 - QD2 LEU 117 - QB ALA 122 lone 4 50 - 8 - 8097/2.9=4 QG2 THR 62 - QB ALA 98 lone 4 63 - 6 - 7109/2.1=1 QG2 VAL 50 - QB ALA 122 lone 2 50 - 5 - 8097/2.9=2 QG2 THR 62 - QB ALA 122 lone 2 59 - 3 - 8097/2.9=1 QD2 LEU 117 - QB ALA 98 lone 2 53 - 3 - Peak 7565 from cnoeabs.peaks (0.86, 1.44, 18.69 ppm; 4.23 A): 6 out of 33 assignments used, quality = 0.77: HG13 ILE 80 + QB ALA 98 OK 34 61 - 56 - 2.1/8342=9, 3.2/7400=8...(14) QD2 LEU 114 + QB ALA 89 OK 26 99 - 26 - 5084/2.9=4, 4.4/4357=2...(10) QD1 LEU 93 + QB ALA 89 OK 20 60 - 34 - 8525/4.9=6, 7553/4.8=4...(13) QD2 LEU 55 + QB ALA 89 OK 17 97 - 18 - 7553/4.8=3, 7020/3.6=3...(5) HG13 ILE 80 + QB ALA 89 OK 16 97 - 17 - 3.0/7563=3, 2.1/8342=2...(9) HG13 ILE 22 + QB ALA 89 OK 14 83 - 17 - 7553/4.8=3, 1357/2.9=1...(4) QD1 LEU 59 - QB ALA 89 lone 8 90 - 9 - 7553/4.8=2, 7020/3.6=1 QD2 LEU 114 - QB ALA 98 poor 8 65 - 13 - ~7661=1, ~7482=1 QG1 VAL 115 - QB ALA 89 poor 7 63 - 11 - 7965=2, 7553/4.8=1, 1357/2.9=1 QD1 ILE 124 - QB ALA 98 poor 5 33 - 15 - 3.2/8113=2, ~5363=1...(6) HG13 ILE 80 - QB ALA 122 lone 4 57 - 7 - 2.1/8342=1, 3.2/7400=1 QD1 ILE 124 - QB ALA 122 poor 4 31 - 14 - 8106/2.9=5, 4.7/8107=5...(4) QD1 LEU 59 - QB ALA 122 lone 4 51 - 8 - ~1402=1, ~627=1 QD2 LEU 126 - QB ALA 89 lone 4 93 - 4 - 5417/3.6=1 QD2 LEU 114 - QB ALA 122 lone 3 61 - 5 - QD2 LEU 59 - QB ALA 122 lone 3 39 - 8 - ~1402=1, ~627=1 QD2 LEU 59 - QB ALA 89 lone 3 73 - 4 - 7082/3.6=1 QD1 LEU 93 - QB ALA 98 lone 3 33 - 8 - QD1 LEU 59 - QB ALA 98 lone 3 54 - 5 - QD2 LEU 55 - QB ALA 98 lone 2 62 - 4 - QG1 VAL 49 - QB ALA 89 lone 2 73 - 3 - QD1 ILE 124 - QB ALA 89 lone 2 60 - 3 - QD2 LEU 55 - QB ALA 122 lone 2 58 - 3 - QD2 LEU 59 - QB ALA 98 lone 2 41 - 4 - HG13 ILE 22 - QB ALA 98 lone 2 48 - 3 - QD1 LEU 93 - QB ALA 122 lone 1 31 - 5 - ~627=1, 8378/7564=1 QG1 VAL 49 - QB ALA 98 lone 1 41 - 3 - QD2 LEU 126 - QB ALA 98 lone 1 57 - 2 - HG13 ILE 22 - QB ALA 122 lone 1 45 - 2 - QG1 VAL 115 - QB ALA 98 lone 1 35 - 3 - QD2 LEU 126 - QB ALA 122 lone 1 54 - 1 - QG1 VAL 115 - QB ALA 122 lone 1 32 - 2 - QG1 VAL 49 - QB ALA 122 lone 1 39 - 1 - Peak 7566 from cnoeabs.peaks (6.97, 1.44, 18.69 ppm; 4.72 A): 4 out of 12 assignments used, quality = 0.68: H LEU 101 + QB ALA 98 OK 37 67 - 56 - 1728/3.5=22, 6178/4.5=11...(13) HD22 ASN 108 + QB ALA 98 OK 31 66 - 47 - 1723/3.5=8, 6178/4.5=7...(14) QE PHE 107 + QB ALA 98 OK 17 53 - 33 - 1723/3.5=7, 6178/4.5=6...(9) HD22 ASN 12 + QB ALA 98 OK 12 58 - 20 - ~8419=7, 1723/3.5=4...(5) H LEU 101 - QB ALA 89 lone 9 100 - 9 - 1274=1 HD22 ASN 108 - QB ALA 122 poor 8 62 - 13 - ~5312=3, ~4872=3...(4) QE PHE 107 - QB ALA 89 lone 6 89 - 7 - H LEU 101 - QB ALA 122 lone 3 63 - 4 - HD22 ASN 108 - QB ALA 89 lone 2 100 - 2 - HD22 ASN 12 - QB ALA 89 lone 2 95 - 2 - QE PHE 107 - QB ALA 122 lone 1 50 - 3 - HD22 ASN 12 - QB ALA 122 lone 1 55 - 1 - Peak 7571 from cnoeabs.peaks (1.43, 4.46, 59.75 ppm; 4.08 A): 3 out of 13 assignments used, quality = 0.94: QB ALA 89 + HA SER 90 OK 80 97 - 83 - 4.9=58, 5784/3.0=17...(15) HB3 LEU 91 + HA SER 90 OK 64 100 - 64 - 4.0/440=20, ~7570=9...(21) HB3 LEU 101 + HA SER 90 OK 11 97 - 11 - 1218/3.6=4, 438/3.0=2 HG LEU 59 - HA SER 90 poor 9 65 - 14 - 2.1/7572=2, ~7579=2...(8) HD3 LYS 65 - HA SER 90 lone 6 93 - 6 - 438/3.0=1, 1218/3.6=1 HD2 LYS 65 - HA SER 90 lone 6 93 - 6 - 438/3.0=1, 1218/3.6=1 QB ALA 98 - HA SER 90 lone 5 99 - 5 - 1218/3.6=1 HG LEU 24 - HA SER 90 lone 5 81 - 6 - ~6478=1, 1218/3.6=1 HB3 GLU 75 - HA SER 90 lone 3 81 - 4 - QB ALA 122 - HA SER 90 lone 3 90 - 3 - HB3 LEU 45 - HA SER 90 lone 3 81 - 3 - HB2 LEU 51 - HA SER 90 lone 2 98 - 2 - HD2 LYS 46 - HA SER 90 lone 2 60 - 3 - Peak 7572 from cnoeabs.peaks (0.83, 4.46, 59.75 ppm; 4.18 A): 7 out of 9 assignments used, quality = 0.94: QD2 LEU 91 + HA SER 90 OK 63 96 - 67 - 4.5/440=19, 3.1/7571=10...(19) QD1 LEU 93 + HA SER 90 OK 63 100 - 63 - 8525=21, 8526/3.0=16...(15) HG13 ILE 22 + HA SER 90 OK 17 97 - 17 - 7579/3.0=3, 7575/3.0=3...(5) HB2 ASN 118 + HA SER 90 OK 16 99 - 16 - 5178/3.6=4, 5178/3.0=4...(7) QG1 VAL 115 + HA SER 90 OK 14 100 - 14 - 7579/3.0=2, 7568/3.0=2...(7) QD1 LEU 59 + HA SER 90 OK 14 93 - 15 - 7579/3.0=3, 7575/3.0=3...(7) QD2 LEU 55 + HA SER 90 OK 12 83 - 15 - 7579/3.0=4, 7020/3.0=3...(6) QD1 ILE 22 - HA SER 90 poor 9 65 - 14 - 3.0/6433=2, ~7579=2...(7) QD2 LEU 114 - HA SER 90 poor 8 73 - 11 - 7579/3.0=2, 7575/3.0=2...(4) Peak 7573 from cnoeabs.peaks (1.45, 3.80, 64.49 ppm; 3.97 A): 3 out of 15 assignments used, quality = 0.84: QB ALA 89 + HB2 SER 90 OK 53 93 - 57 - 7561/1.8=17, 3.6/4364=16...(12) HB2 LEU 93 + HB2 SER 90 OK 47 97 - 49 - 3.1/8526=14, 7577/1.8=12...(11) HB3 LEU 91 + HB2 SER 90 OK 38 71 - 53 - 4.0/5786=12, 3.1/7576=9...(14) HB3 LEU 101 - HB2 SER 90 poor 9 92 - 10 - 1218/4.4=2, 7577/1.8=2...(4) HD2 LYS 65 - HB2 SER 90 lone 6 97 - 6 - 7577/1.8=1 HD3 LYS 65 - HB2 SER 90 lone 6 97 - 6 - 7577/1.8=1 HG LEU 24 - HB2 SER 90 lone 5 100 - 5 - 7577/1.8=1 HG3 ARG 57 - HB2 SER 90 lone 5 95 - 5 - 7577/1.8=1 HB3 GLU 75 - HB2 SER 90 lone 5 100 - 4 - 7577/1.8=1 QB ALA 14 - HB2 SER 90 lone 4 97 - 4 - 7577/1.8=1 HG2 LYS 119 - HB2 SER 90 lone 4 99 - 4 - HG3 LYS 31 - HB2 SER 90 lone 3 98 - 3 - HB3 LEU 45 - HB2 SER 90 lone 3 100 - 3 - HD2 LYS 46 - HB2 SER 90 lone 3 100 - 3 - HG2 LYS 109 - HB2 SER 90 lone 1 68 - 1 - Peak 7574 from cnoeabs.peaks (1.10, 3.80, 64.49 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.66: QG2 THR 62 + HB2 SER 90 OK 61 99 - 62 - 7578/1.8=32, 7111=26...(7) QG2 VAL 120 + HB2 SER 90 OK 12 83 - 15 - 7567/3.8=5, 8378/8526=3...(5) Peak 7575 from cnoeabs.peaks (0.83, 3.80, 64.49 ppm; 3.44 A): 4 out of 9 assignments used, quality = 0.80: QD1 LEU 93 + HB2 SER 90 OK 54 100 - 54 - 8526=19, 7579/1.8=11...(12) QD2 LEU 91 + HB2 SER 90 OK 42 96 - 44 - 7579/1.8=8, 4.5/5786=8...(12) HG13 ILE 22 + HB2 SER 90 OK 13 97 - 13 - 7579/1.8=3, 7572/3.0=2...(5) QD1 LEU 59 + HB2 SER 90 OK 12 93 - 12 - 7579/1.8=3, 7083=2...(6) HB2 ASN 118 - HB2 SER 90 lone 10 99 - 10 - 5178/4.4=2, 7579/1.8=2...(4) QD2 LEU 55 - HB2 SER 90 poor 9 83 - 11 - 7579/1.8=4, 7020/3.8=1...(4) QG1 VAL 115 - HB2 SER 90 lone 9 100 - 9 - 7579/1.8=2, 7572/3.0=1 QD2 LEU 114 - HB2 SER 90 lone 7 73 - 9 - 7579/1.8=2, 7960/7574=1 QD1 ILE 22 - HB2 SER 90 lone 7 65 - 10 - ~7579=2, 3.0/6435=1, 6438=1 Peak 7576 from cnoeabs.peaks (0.74, 3.80, 64.49 ppm; 4.51 A): 4 out of 8 assignments used, quality = 0.89: QD1 LEU 91 + HB2 SER 90 OK 63 100 - 63 - 4.5/5786=14, 2.1/7575=12...(15) QD2 LEU 93 + HB2 SER 90 OK 60 97 - 63 - 2.1/8526=21, ~7579=11...(14) HG LEU 111 + HB2 SER 90 OK 14 99 - 14 - 1221/4.4=3, 7569/3.8=3 QD2 LEU 111 + HB2 SER 90 OK 12 97 - 13 - 1221/4.4=3, 7569/3.8=2 QD1 LEU 114 - HB2 SER 90 poor 10 83 - 12 - 1221/4.4=2, ~7579=2...(4) QG2 ILE 63 - HB2 SER 90 lone 6 89 - 7 - 7569/3.8=2, 1221/4.4=1 QD1 LEU 84 - HB2 SER 90 lone 6 100 - 6 - 7569/3.8=1, 1221/4.4=1 QG2 VAL 66 - HB2 SER 90 lone 3 60 - 6 - 7569/3.8=2, 1221/4.4=2 Peak 7577 from cnoeabs.peaks (1.46, 3.73, 64.49 ppm; 3.84 A): 2 out of 15 assignments used, quality = 0.74: QB ALA 89 + HB3 SER 90 OK 54 85 - 63 - 7561=18, 3.6/1721=18...(13) HB2 LEU 93 + HB3 SER 90 OK 44 99 - 44 - 3.1/7579=10, 7573/1.8=9...(11) HB3 LEU 101 - HB3 SER 90 lone 7 83 - 9 - 7573/1.8=2, 1218/4.4=1...(4) HG3 ARG 57 - HB3 SER 90 lone 5 99 - 5 - 3.0/6076=1 HD2 LYS 65 - HB3 SER 90 lone 5 90 - 5 - 7573/1.8=1 HD3 LYS 65 - HB3 SER 90 lone 5 90 - 5 - 7573/1.8=1 HB3 GLU 75 - HB3 SER 90 lone 5 98 - 5 - HG LEU 24 - HB3 SER 90 lone 5 98 - 5 - QB ALA 14 - HB3 SER 90 lone 4 99 - 4 - HG2 LYS 119 - HB3 SER 90 lone 3 100 - 3 - HB3 LEU 58 - HB3 SER 90 lone 3 63 - 5 - 3.9/4368=1, 3361/3.8=1 HD2 LYS 46 - HB3 SER 90 lone 3 100 - 3 - HG3 LYS 31 - HB3 SER 90 lone 3 100 - 3 - HB3 LEU 45 - HB3 SER 90 lone 2 98 - 2 - HG2 LYS 109 - HB3 SER 90 lone 1 81 - 1 - Peak 7578 from cnoeabs.peaks (1.09, 3.73, 64.49 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.52: QG2 THR 62 + HB3 SER 90 OK 52 90 - 58 - 7574/1.8=33, 7110=18...(7) HG13 ILE 34 - HB3 SER 90 lone 1 63 - 1 - Peak 7579 from cnoeabs.peaks (0.84, 3.73, 64.49 ppm; 3.35 A): 5 out of 8 assignments used, quality = 0.73: QD1 LEU 93 + HB3 SER 90 OK 41 98 - 42 - 8526/1.8=14, 8525/3.0=9...(10) QD2 LEU 91 + HB3 SER 90 OK 31 78 - 40 - 7575/1.8=8, 4.5/442=8...(12) QD2 LEU 55 + HB3 SER 90 OK 14 97 - 14 - 7014=5, 7575/1.8=2...(6) HG13 ILE 22 + HB3 SER 90 OK 13 100 - 12 - 7575/1.8=3, 7572/3.0=1 QD1 LEU 59 + HB3 SER 90 OK 12 100 - 12 - 7014=2, 7575/1.8=2...(6) QG1 VAL 115 - HB3 SER 90 lone 8 99 - 8 - 7575/1.8=2, 2.1/7972=1 HB2 ASN 118 - HB3 SER 90 lone 8 90 - 9 - 5178/4.4=2, 7575/1.8=2...(4) QD2 LEU 114 - HB3 SER 90 lone 8 93 - 8 - 7575/1.8=1, 4.4/1714=1 Peak 7581 from cnoeabs.peaks (7.10, 1.74, 44.63 ppm; 4.84 A): 3 out of 5 assignments used, quality = 0.95: H LEU 93 + HB2 LEU 91 OK 86 99 - 87 - 7612/4.0=21, 7582/1.8=19...(20) HE ARG 92 + HB2 LEU 91 OK 37 98 - 38 - 1495/4.2=11, 7582/1.8=7...(8) HZ PHE 96 + HB2 LEU 91 OK 37 87 - 42 - 7582/1.8=10, 7589/3.1=7...(10) QD PHE 83 - HB2 LEU 91 lone 8 90 - 9 - 7589/3.1=1, 7582/1.8=1 QD PHE 40 - HB2 LEU 91 lone 7 78 - 9 - ~4830=2, 7589/3.1=2 Peak 7582 from cnoeabs.peaks (7.09, 1.43, 44.63 ppm; 4.89 A): 3 out of 4 assignments used, quality = 0.95: H LEU 93 + HB3 LEU 91 OK 86 100 - 86 - 7612/4.0=21, 7581/1.8=19...(20) HZ PHE 96 + HB3 LEU 91 OK 45 99 - 46 - 7581/1.8=8, 7589/3.1=7...(11) HE ARG 92 + HB3 LEU 91 OK 33 85 - 38 - 1495/4.2=11, 7581/1.8=8...(7) QD PHE 83 - HB3 LEU 91 lone 7 68 - 10 - 7581/1.8=2, 7589/3.1=1 Peak 7584 from cnoeabs.peaks (3.76, 1.74, 44.63 ppm; 4.64 A): 3 out of 11 assignments used, quality = 0.93: HA CYS 87 + HB2 LEU 91 OK 74 100 - 74 - 7530=16, 7585/1.8=10...(22) HD2 PRO 30 + HB2 LEU 91 OK 56 99 - 57 - 6596/3.1=9, 7585/1.8=8...(21) HB3 SER 90 + HB2 LEU 91 OK 40 65 - 61 - 4.4/4379=15, 3.8/7570=14...(12) HA GLU 38 - HB2 LEU 91 OK 18 100 - 18 - 6709/3.1=3, 7585/1.8=3...(4) HB3 SER 35 - HB2 LEU 91 OK 18 100 - 18 - 6290/3.1=4, 6291/3.1=4...(6) HB3 SER 13 - HB2 LEU 91 OK 15 100 - 15 - 6290/3.1=3, 6291/3.1=3...(6) HA LEU 54 - HB2 LEU 91 poor 10 95 - 10 - 3.6/1027=2, 7585/1.8=1...(5) HA GLU 73 - HB2 LEU 91 lone 5 89 - 5 - HB3 SER 74 - HB2 LEU 91 lone 5 81 - 5 - HB2 SER 74 - HB2 LEU 91 lone 4 78 - 5 - HB2 SER 72 - HB2 LEU 91 lone 3 90 - 4 - Peak 7585 from cnoeabs.peaks (3.75, 1.43, 44.63 ppm; 4.82 A): 3 out of 11 assignments used, quality = 0.95: HA CYS 87 + HB3 LEU 91 OK 76 100 - 76 - 7530/1.8=14, 7588/3.1=11...(23) HD2 PRO 30 + HB3 LEU 91 OK 60 97 - 62 - 3.6/8245=10, 7584/1.8=9...(22) HB3 SER 90 + HB3 LEU 91 OK 49 78 - 63 - 442/4.0=14, 3.0/7571=12...(12) HA GLU 38 - HB3 LEU 91 OK 22 100 - 22 - 6709/3.1=3, 7584/1.8=3...(6) HB3 SER 35 - HB3 LEU 91 OK 19 100 - 19 - 6290/3.1=4, 6291/3.1=4...(6) HB3 SER 13 - HB3 LEU 91 OK 15 98 - 15 - 6290/3.1=3, 6291/3.1=3...(6) HA LEU 54 - HB3 LEU 91 OK 10 99 - 10 - 7584/1.8=2, 7587/3.1=1 HA GLU 73 - HB3 LEU 91 lone 6 96 - 6 - HB3 SER 74 - HB3 LEU 91 lone 5 68 - 6 - HB2 SER 74 - HB3 LEU 91 lone 4 65 - 6 - HB2 SER 72 - HB3 LEU 91 lone 4 81 - 4 - Peak 7586 from cnoeabs.peaks (3.75, 1.49, 26.38 ppm; 4.50 A): 4 out of 44 assignments used, quality = 0.97: HA CYS 87 + HG LEU 93 OK 67 91 - 74 - ~8523=15, 7533/2.1=12...(20) HA CYS 87 + HG LEU 91 OK 67 100 - 67 - 7588/2.1=12, 7587/2.1=11...(18) HD2 PRO 30 + HG LEU 91 OK 48 97 - 50 - 6596/2.1=10, 7588/2.1=7...(15) HB3 SER 90 + HG LEU 91 OK 42 78 - 54 - ~7576=10, 442/5.2=9...(11) HB3 SER 90 - HG LEU 93 OK 40 65 - 62 - ~8526=15, ~7575=11...(11) HA GLU 38 - HG LEU 93 OK 26 90 - 29 - 6709/2.1=5, 6707/3.0=4...(8) HB3 SER 35 - HG LEU 91 OK 19 100 - 19 - 6290/2.1=4, 6291/2.1=4...(7) HA GLU 38 - HG LEU 91 OK 18 100 - 18 - 6709/2.1=4, 7587/2.1=3...(5) HB3 SER 35 - HG LEU 93 OK 16 90 - 18 - 6290/2.1=4, 6291/2.1=3...(7) HB3 SER 13 - HG LEU 91 OK 14 98 - 15 - 6290/2.1=4, 6291/2.1=3...(5) HA LEU 54 - HG LEU 91 lone 9 99 - 9 - 7587/2.1=1, 7584/3.0=1...(4) HD2 PRO 30 - HG LEU 93 poor 9 84 - 11 - 6596/2.1=2, ~6599=1 HB3 SER 13 - HG LEU 93 lone 8 87 - 10 - 6290/2.1=3, 6291/2.1=1 HA CYS 87 - HG3 ARG 92 poor 6 46 - 13 - 6164/4.9=6, 7518/4.0=4 HA CYS 87 - HG2 ARG 92 poor 6 43 - 13 - 6164/4.9=6, 7518/4.0=4 HA GLU 73 - HG LEU 91 lone 5 96 - 5 - HA LEU 54 - HG LEU 93 lone 4 87 - 4 - HB3 SER 74 - HG LEU 91 lone 4 68 - 5 - HB2 SER 74 - HG LEU 91 lone 3 65 - 5 - HB2 SER 72 - HG LEU 91 lone 2 81 - 3 - HA LEU 54 - HG3 ARG 92 lone 2 44 - 5 - ~5618=2 HA LEU 54 - HG2 ARG 92 lone 2 41 - 5 - ~5618=2 HA GLU 73 - HG LEU 93 lone 2 83 - 2 - HB3 SER 90 - HG3 ARG 92 lone 1 30 - 5 - 4.4/1219=3 HA GLU 38 - HG3 ARG 92 lone 1 46 - 3 - HA GLU 38 - HG2 ARG 92 lone 1 43 - 3 - HB3 SER 90 - HG2 ARG 92 lone 1 28 - 4 - 4.4/1219=2 HB2 SER 72 - HG LEU 93 lone 1 68 - 1 - HB3 SER 74 - HG LEU 93 lone 1 56 - 2 - HD2 PRO 30 - HG3 ARG 92 lone 1 42 - 2 - HB2 SER 74 - HG LEU 93 lone 1 54 - 2 - HD2 PRO 30 - HG2 ARG 92 lone 1 39 - 2 - HB3 SER 35 - HG3 ARG 92 lone 1 46 - 1 - HB3 SER 13 - HG3 ARG 92 lone 1 43 - 1 - HB3 SER 35 - HG2 ARG 92 lone 1 43 - 1 - HB3 SER 13 - HG2 ARG 92 lone 1 40 - 1 - HA GLU 73 - HG3 ARG 92 lone 1 41 - 1 - HA GLU 73 - HG2 ARG 92 lone 0 38 - 1 - HB3 SER 74 - HG3 ARG 92 lone 0 25 - 2 - HB2 SER 74 - HG3 ARG 92 lone 0 24 - 2 - HB3 SER 74 - HG2 ARG 92 lone 0 24 - 2 - HB2 SER 74 - HG2 ARG 92 lone 0 23 - 2 - HB2 SER 72 - HG3 ARG 92 lone 0 32 - 1 - HB2 SER 72 - HG2 ARG 92 lone 0 29 - 1 - Peak 7587 from cnoeabs.peaks (3.75, 0.82, 22.64 ppm; 4.08 A): 6 out of 11 assignments used, quality = 0.94: HA CYS 87 + QD2 LEU 91 OK 63 100 - 64 - 3.0/8374=12, 7588/2.1=10...(20) HD2 PRO 30 + QD2 LEU 91 OK 52 97 - 54 - 6596=11, 1.8/6599=7...(15) HB3 SER 90 + QD2 LEU 91 OK 44 78 - 56 - 1.8/7575=11, 4.4/4400=10...(12) HB3 SER 35 + QD2 LEU 91 OK 20 100 - 20 - 6291=5, 6290/2.1=4...(7) HA GLU 38 + QD2 LEU 91 OK 17 100 - 17 - 6709/2.1=3, 7585/3.1=2...(4) HB3 SER 13 + QD2 LEU 91 OK 15 98 - 15 - 6291=4, 6290/2.1=3...(6) HA LEU 54 - QD2 LEU 91 lone 7 99 - 7 - 7588/2.1=1 HA GLU 73 - QD2 LEU 91 lone 4 96 - 4 - HB3 SER 74 - QD2 LEU 91 lone 3 68 - 4 - HB2 SER 74 - QD2 LEU 91 lone 3 65 - 4 - HB2 SER 72 - QD2 LEU 91 lone 2 81 - 3 - Peak 7588 from cnoeabs.peaks (3.76, 0.74, 26.35 ppm; 3.84 A): 7 out of 22 assignments used, quality = 0.91: HA CYS 87 + QD1 LEU 91 OK 62 100 - 62 - 7535=12, 7587/2.1=9...(21) HD2 PRO 30 + QD1 LEU 91 OK 39 99 - 40 - 6596/2.1=8, 7584/3.1=5...(12) HB3 SER 90 + QD1 LEU 91 OK 30 65 - 47 - 1.8/7576=10, 4.4/4407=8...(11) HA GLU 38 + QD1 LEU 91 OK 17 100 - 16 - 6709=3, 7587/2.1=2...(5) HB3 SER 35 + QD1 LEU 91 OK 16 100 - 16 - 6290=4, 6291/2.1=3...(7) HB3 SER 13 + QD1 LEU 91 OK 13 100 - 13 - 6290=3, 6291/2.1=3...(5) HA CYS 87 + QD1 LEU 114 OK 10 54 - 19 - 7533/2.1=4, 7535=3...(6) HA LEU 54 - QD1 LEU 114 poor 7 47 - 16 - 6073/3.1=3, 3183=2...(8) HA LEU 54 - QD1 LEU 91 lone 6 95 - 6 - 7587/2.1=1 HA GLU 38 - QD1 LEU 114 lone 5 54 - 9 - 6005/2.1=2 HA GLU 73 - QD1 LEU 91 lone 3 89 - 3 - HB3 SER 74 - QD1 LEU 91 lone 3 81 - 4 - HB2 SER 74 - QD1 LEU 91 lone 3 78 - 4 - HB3 SER 90 - QD1 LEU 114 lone 3 29 - 9 - 1.8/7576=2, 7579/2.1=2...(4) HD2 PRO 30 - QD1 LEU 114 lone 2 52 - 4 - HB2 SER 72 - QD1 LEU 91 lone 2 90 - 2 - HA GLU 73 - QD1 LEU 114 lone 2 42 - 4 - HB3 SER 13 - QD1 LEU 114 lone 1 53 - 2 - HB2 SER 72 - QD1 LEU 114 lone 1 44 - 2 - HB3 SER 35 - QD1 LEU 114 lone 1 54 - 1 - HB3 SER 74 - QD1 LEU 114 lone 1 37 - 2 - HB2 SER 74 - QD1 LEU 114 lone 1 36 - 2 - Peak 7589 from cnoeabs.peaks (7.10, 0.82, 22.64 ppm; 4.92 A): 3 out of 5 assignments used, quality = 0.96: H LEU 93 + QD2 LEU 91 OK 88 99 - 89 - 7612/4.5=19, 3.0/8376=18...(22) HZ PHE 96 + QD2 LEU 91 OK 41 87 - 47 - 7582/3.1=8, 7581/3.1=7...(13) HE ARG 92 + QD2 LEU 91 OK 37 98 - 38 - 1495/5.0=9, 7581/3.1=7...(7) QD PHE 40 - QD2 LEU 91 poor 9 78 - 11 - 2.2/4830=3, 7581/3.1=1 QD PHE 83 - QD2 LEU 91 lone 9 90 - 9 - 7581/3.1=2, 7580/4.5=1 Peak 7590 from cnoeabs.peaks (8.66, 0.82, 22.64 ppm; 4.91 A): 3 out of 5 assignments used, quality = 0.91: H LEU 117 + QD2 LEU 91 OK 64 100 - 64 - 4.3/8368=11, 4.6/8369=10...(18) H VAL 120 + QD2 LEU 91 OK 59 97 - 61 - 4.0/8369=20, 4.0/8370=17...(13) H LEU 59 + QD2 LEU 91 OK 37 100 - 37 - 4.9/8370=5, 4.9/8420=5...(14) H ASN 106 - QD2 LEU 91 lone 5 63 - 8 - 3.6/8376=2, 4.8/8374=2 H ASN 12 - QD2 LEU 91 lone 5 99 - 5 - Peak 7592 from cnoeabs.peaks (3.81, 4.18, 56.14 ppm; 3.84 A): 3 out of 22 assignments used, quality = 0.64: HA2 GLY 88 + HA ARG 92 OK 35 100 - 35 - 7555=8, 1.8/7555=7...(9) HA3 GLY 88 + HA ARG 92 OK 35 100 - 35 - 7555=8, 1.8/7555=7...(9) HB2 SER 90 + HA ARG 92 OK 16 92 - 18 - 4.4/7583=8, 7591/3.0=5 HB3 SER 29 - HA ARG 92 lone 8 100 - 8 - 6579=1, 7591/3.0=1, 1.8/6579=1 HB2 SER 29 - HA ARG 92 lone 8 100 - 8 - 6579=1, 7591/3.0=1, 1.8/6579=1 HA2 GLY 61 - HA ARG 92 lone 7 83 - 8 - 3482=2, 3.0/1061=1 HA THR 116 - HA ARG 92 lone 5 89 - 5 - 7593/3.6=3 HA LYS 119 - HA ARG 92 lone 4 83 - 5 - 7593/3.6=1 HA3 GLY 39 - HA ARG 92 lone 4 99 - 3 - 6728/3.6=1 HA3 GLY 88 - HA LEU 126 lone 3 75 - 4 - ~1710=1 HA2 GLY 88 - HA LEU 126 lone 3 74 - 4 - ~1710=1 HB2 SER 90 - HA LEU 126 lone 3 63 - 4 - 4.4/7583=1 HA LYS 119 - HA LEU 126 lone 2 55 - 4 - HB3 SER 29 - HA LEU 126 lone 2 75 - 3 - HB2 SER 29 - HA LEU 126 lone 2 75 - 3 - HA2 GLY 61 - HA LEU 126 lone 2 55 - 4 - 3.6/287=1 HA LEU 77 - HA ARG 92 lone 1 71 - 2 - HA THR 116 - HA LEU 126 lone 1 60 - 2 - HA THR 19 - HA ARG 92 lone 1 57 - 2 - HA3 GLY 39 - HA LEU 126 lone 1 73 - 1 - HA THR 19 - HA LEU 126 lone 0 36 - 1 - HA LEU 77 - HA LEU 126 lone 0 46 - 1 - Peak 7598 from cnoeabs.peaks (1.97, 4.38, 53.97 ppm; 4.18 A): 6 out of 19 assignments used, quality = 0.84: HB ILE 124 + HA LEU 93 OK 35 97 - 36 - 2.1/7611=6, 3.2/8118=6...(12) HG LEU 114 + HA LEU 93 OK 33 99 - 34 - ~7948=9, ~6981=4...(14) HB3 GLU 94 + HA LEU 93 OK 29 85 - 35 - 4.0/459=24, 3.0/7599=3...(7) HB2 GLU 94 + HA LEU 93 OK 24 71 - 34 - 4.0/459=24, 3.0/7599=3...(7) HB2 LEU 55 + HA LEU 93 OK 22 63 - 35 - ~7000=4, 7001/3.0=4...(14) HB2 LEU 41 + HA LEU 93 OK 13 97 - 13 - 4.1/5801=3, 2784/3.6=3 HB3 PRO 68 - HA LEU 93 lone 7 97 - 7 - 1239/3.6=2, ~451=1...(4) HB2 MET 11 - HA LEU 93 lone 6 95 - 7 - 1845=1 HB3 LYS 119 - HA LEU 93 poor 6 60 - 11 - ~5204=1, 2.9/4472=1, ~452=1 HG2 PRO 68 - HA LEU 93 lone 6 99 - 6 - ~8640=2, 1239/3.6=1, ~452=1 HB2 ARG 85 - HA LEU 93 lone 6 71 - 8 - 4.7/5801=2, 1240/3.6=2 HB3 ARG 85 - HA LEU 93 lone 6 71 - 8 - 4.7/5801=2, 1240/3.6=2 HG LEU 45 - HA LEU 93 lone 6 100 - 5 - HG2 PRO 60 - HA LEU 93 lone 5 83 - 5 - HB2 LYS 46 - HA LEU 93 lone 4 71 - 6 - HB3 PRO 30 - HA LEU 93 lone 3 71 - 5 - ~7597=2 HB2 ARG 71 - HA LEU 93 lone 3 100 - 3 - HB3 GLN 103 - HA LEU 93 lone 3 97 - 3 - 1239/3.6=1 HB3 GLU 69 - HA LEU 93 lone 1 60 - 2 - Peak 7599 from cnoeabs.peaks (2.29, 4.38, 53.97 ppm; 4.95 A): 5 out of 8 assignments used, quality = 0.93: HB VAL 120 + HA LEU 93 OK 64 100 - 64 - 2.1/8064=12, 2.1/8066=11...(18) HB2 CYS 87 + HA LEU 93 OK 40 71 - 56 - 7520/3.0=14, ~7518=11...(12) HG2 GLN 105 + HA LEU 93 OK 34 97 - 35 - 7596/3.0=4, 3.0/4771=4...(14) HG3 GLN 105 + HA LEU 93 OK 33 96 - 35 - 7596/3.0=4, 3.0/4771=4...(14) HG3 GLU 94 + HA LEU 93 OK 30 71 - 42 - 4.9/459=25, 3.0/7598=5...(7) HG3 GLU 56 - HA LEU 93 lone 7 78 - 9 - 7026/3.8=3, ~8519=1, ~453=1 HB3 PRO 60 - HA LEU 93 lone 6 68 - 9 - ~7088=1, ~7090=1 HG2 GLN 16 - HA LEU 93 lone 3 97 - 3 - Peak 7600 from cnoeabs.peaks (0.98, 1.38, 43.83 ppm; 4.80 A): 5 out of 9 assignments used, quality = 0.94: QD2 LEU 58 + HB3 LEU 93 OK 54 89 - 60 - 2.1/7062=7, 7610/1.8=7...(26) QG2 ILE 124 + HB3 LEU 93 OK 49 85 - 58 - 8115=10, 3.2/8120=8...(17) QD1 LEU 58 + HB3 LEU 93 OK 40 71 - 56 - 2.1/6367=6, 3.1/8304=6...(27) QG2 THR 95 + HB3 LEU 93 OK 38 100 - 38 - 7620/3.8=10, 7614/4.4=7...(8) QD1 LEU 101 + HB3 LEU 93 OK 37 98 - 37 - 8743/3.8=9, 8445=6...(9) HG3 LYS 65 - HB3 LEU 93 OK 26 100 - 26 - 7610/1.8=3, 7614/4.4=3...(8) HG2 LYS 65 - HB3 LEU 93 OK 26 100 - 26 - 7610/1.8=3, 7614/4.4=3...(8) HB3 LEU 27 - HB3 LEU 93 OK 21 57 - 37 - 3.1/2299=3, ~8482=3...(17) QG1 VAL 18 - HB3 LEU 93 OK 16 99 - 16 - 7610/1.8=2, 6349/3.8=2...(7) Peak 7601 from cnoeabs.peaks (0.97, 1.49, 26.18 ppm; 3.99 A): 8 out of 14 assignments used, quality = 0.89: QD1 LEU 101 + HG LEU 91 OK 36 80 - 45 - ~8370=6, ~8373=5...(17) QD2 LEU 58 + HG LEU 93 OK 35 78 - 45 - 7610/3.0=5, 8420/2.1=4...(20) QG2 ILE 124 + HG LEU 93 OK 27 93 - 29 - 8115/3.0=7, 7610/3.0=5...(10) QG2 THR 95 + HG LEU 93 OK 23 100 - 23 - 7627/2.1=7, 7620/5.3=5...(6) QD2 LEU 58 + HG LEU 91 OK 21 65 - 32 - 8420/2.1=6, ~8370=4...(12) QD1 LEU 101 + HG LEU 93 OK 18 93 - 19 - 8743/5.3=4, 8445/3.0=3...(4) HG3 LYS 65 + HG LEU 93 OK 14 98 - 14 - 7610/3.0=2, 7600/3.0=2...(5) HG2 LYS 65 + HG LEU 93 OK 14 98 - 14 - 7610/3.0=2, 7600/3.0=2...(5) QG1 VAL 18 - HG LEU 93 lone 8 95 - 9 - 7610/3.0=1, 7600/3.0=1 HG2 LYS 65 - HG LEU 91 lone 7 87 - 8 - HG3 LYS 65 - HG LEU 91 lone 7 87 - 8 - QG2 THR 95 - HG LEU 91 lone 6 90 - 7 - 7627/2.1=2 QG1 VAL 18 - HG LEU 91 lone 3 82 - 4 - 8420/2.1=1 QG2 ILE 124 - HG LEU 91 lone 3 80 - 4 - Peak 7602 from cnoeabs.peaks (4.00, 0.76, 24.83 ppm; 3.57 A): 7 out of 15 assignments used, quality = 0.92: HA LEU 117 + QD2 LEU 93 OK 42 92 - 46 - 7607/2.1=15, 8004=7...(14) HA ALA 14 + HG LEU 111 OK 41 66 - 62 - 6298=15, 2.1/6305=11...(14) HA ALA 14 + QD2 LEU 111 OK 36 59 - 61 - 6298=12, 6298/2.1=10...(15) HA LEU 117 + HG LEU 111 OK 25 73 - 34 - 8004=5, 8004/2.1=4...(14) HA THR 62 + QD2 LEU 93 OK 24 99 - 25 - 7607/2.1=7, 3.2/7605=3...(7) HA LEU 117 + QD2 LEU 111 OK 22 66 - 33 - 8004=5, 8004/2.1=4...(12) HA PHE 107 + HG LEU 111 OK 20 84 - 24 - 6196/5.3=7, 6194/3.0=5...(6) HA PHE 107 - QD2 LEU 111 OK 19 77 - 25 - 6196/4.7=8, 6194/3.1=5...(6) HA ARG 81 - HG LEU 111 OK 18 80 - 23 - 7433=5, 7433/2.1=3...(5) HA ARG 81 - QD2 LEU 93 OK 18 97 - 18 - 7433=4, 7607/2.1=4...(4) HA ALA 14 - QD2 LEU 93 OK 17 85 - 19 - 6298=4, 2.1/6305=3...(6) HA ARG 81 - QD2 LEU 111 OK 14 72 - 20 - 7433=4, 7433/2.1=3...(4) HA PHE 107 - QD2 LEU 93 lone 9 100 - 9 - 7607/2.1=2, 6194/3.1=1 HA THR 62 - HG LEU 111 poor 8 82 - 10 - 3.6/1069=3, 3.2/7605=1 HA THR 62 - QD2 LEU 111 lone 6 74 - 8 - 3.6/1069=1 Peak 7603 from cnoeabs.peaks (2.25, 0.76, 24.83 ppm; 3.56 A): 6 out of 39 assignments used, quality = 0.92: HB2 CYS 87 + QD2 LEU 93 OK 48 85 - 57 - ~8523=12, 8524/2.1=9...(16) HB3 LEU 117 + QD2 LEU 93 OK 37 89 - 42 - ~7607=7, 8524/2.1=5...(16) HG3 GLU 38 + HG LEU 111 OK 33 81 - 40 - 6713/2.1=11, ~6713=7...(12) HG2 GLU 38 + HG LEU 111 OK 32 80 - 40 - 6713/2.1=11, ~6713=7...(12) HG3 GLU 38 + QD2 LEU 111 OK 29 73 - 40 - 6713/2.1=11, ~6713=7...(11) HG2 GLU 38 + QD2 LEU 111 OK 29 72 - 40 - 6713/2.1=11, ~6713=7...(11) HG3 GLU 38 - QD2 LEU 93 OK 18 98 - 19 - 4.0/6709=2, 8524/2.1=2...(6) HG2 GLU 38 - QD2 LEU 93 OK 18 97 - 19 - 4.0/6709=2, 8524/2.1=2...(6) HB3 LEU 117 - HG LEU 111 OK 18 70 - 26 - 3.0/8004=4, 4.0/8002=3...(10) HG2 GLU 94 - QD2 LEU 93 OK 17 97 - 18 - 4.9/463=5, 8524/2.1=2...(8) HB2 CYS 87 - HG LEU 111 OK 17 66 - 25 - 1.8/8522=3, 7541=3...(10) HG3 GLU 94 - QD2 LEU 93 OK 17 85 - 20 - 4.9/463=5, 8524/2.1=3...(8) HB3 LEU 117 - QD2 LEU 111 OK 15 62 - 23 - 3.0/8004=3, 4.0/8002=2...(10) HB2 CYS 87 - QD2 LEU 111 OK 14 59 - 23 - 1.8/8522=3, 7541=3...(9) HG2 GLU 56 - QD2 LEU 93 OK 11 100 - 11 - 1.8/7026=2, 7025=2...(4) HB2 PRO 70 - HG LEU 111 poor 9 83 - 11 - ~5019=1, 3815/4.3=1 HG3 GLU 64 - HG LEU 111 poor 9 76 - 12 - 5.0/295=2, 3.0/7158=1...(4) HB2 PRO 70 - QD2 LEU 93 lone 9 99 - 9 - 8320/3.8=2, 8524/2.1=1 HB2 PRO 70 - QD2 LEU 111 poor 8 75 - 10 - ~5019=1, 3815/4.0=1 HG2 GLU 56 - HG LEU 111 lone 6 84 - 8 - 1.8/7026=2, 7025=2, 4.9/7030=1 HG3 GLU 64 - QD2 LEU 111 lone 6 68 - 9 - HG3 GLU 64 - QD2 LEU 93 lone 5 95 - 6 - HG3 GLU 15 - QD2 LEU 93 lone 5 100 - 5 - 6321/3.1=1 HG2 GLU 56 - QD2 LEU 111 lone 5 77 - 6 - 7025/2.1=2, ~7026=1 HG2 GLU 94 - HG LEU 111 lone 4 79 - 5 - 4.9/463=2 HG3 GLU 15 - HG LEU 111 lone 4 85 - 5 - HG3 GLU 94 - HG LEU 111 lone 3 66 - 5 - 4.9/463=2 HG3 GLU 15 - QD2 LEU 111 lone 3 77 - 4 - HB2 PRO 68 - QD2 LEU 93 lone 3 90 - 3 - HG2 GLU 94 - QD2 LEU 111 lone 3 71 - 4 - 4.9/463=1 HG3 GLU 94 - QD2 LEU 111 lone 2 59 - 4 - 4.9/463=1 HG3 GLU 28 - HG LEU 111 lone 2 68 - 3 - HB2 PRO 68 - HG LEU 111 lone 2 71 - 3 - HG3 GLU 28 - QD2 LEU 93 lone 2 87 - 2 - HG2 GLU 28 - HG LEU 111 lone 2 64 - 3 - HG2 GLU 28 - QD2 LEU 93 lone 2 83 - 2 - HG3 GLU 28 - QD2 LEU 111 lone 2 61 - 2 - HG2 GLU 28 - QD2 LEU 111 lone 1 57 - 2 - HB2 PRO 68 - QD2 LEU 111 lone 1 64 - 2 - Peak 7604 from cnoeabs.peaks (1.74, 0.76, 24.83 ppm; 3.89 A): 4 out of 45 assignments used, quality = 0.96: HB2 LEU 91 + QD2 LEU 93 OK 79 99 - 80 - 4385=10, 4384/2.1=10...(37) HB2 LEU 91 + HG LEU 111 OK 48 83 - 59 - 4385=7, 1.8/4392=6...(31) HB2 LEU 91 + QD2 LEU 111 OK 43 75 - 58 - 4385=7, 4385/2.1=6...(33) HG LEU 117 + QD2 LEU 93 OK 35 81 - 43 - ~8378=7, 2.1/7605=5...(15) HB2 LYS 31 - QD2 LEU 93 OK 29 89 - 33 - 2409/3.1=4, ~2419=3...(18) HG LEU 117 - HG LEU 111 OK 16 62 - 26 - 3.6/8004=4, 4.8/8002=3...(12) HB VAL 66 - QD2 LEU 93 OK 15 99 - 15 - 3669=2, 4.0/1093=2...(5) HB3 LEU 55 - QD2 LEU 93 OK 15 73 - 21 - 7002/4.7=2, 4.2/7030=2...(8) HG LEU 117 - QD2 LEU 111 OK 13 55 - 23 - 3.6/8004=3, 3.0/8010=2...(11) HB VAL 66 - HG LEU 111 OK 12 83 - 14 - 3669=2, 3669/2.1=1...(5) HB2 ARG 53 - QD2 LEU 93 OK 11 100 - 11 - 4.0/6962=4, 7594/4.7=1 HG3 PRO 30 - HG LEU 111 poor 9 60 - 15 - ~7900=3, ~6596=3...(6) HB VAL 66 - QD2 LEU 111 poor 8 75 - 11 - 3669/2.1=2, 3669/2.1=1 HG3 PRO 30 - QD2 LEU 111 poor 8 53 - 15 - ~7900=3, ~6596=3...(6) HG2 GLN 42 - HG LEU 111 poor 7 68 - 10 - 2843/4.9=2, 6777/4796=1, ~7914=1 HB2 LYS 31 - HG LEU 111 lone 7 70 - 9 - 2409/3.0=1 HB2 ARG 53 - HG LEU 111 lone 7 85 - 8 - 4.0/6962=2 HB3 LEU 55 - HG LEU 111 poor 6 56 - 11 - 4.2/7030=2, ~7011=1, ~7007=1 HG3 PRO 30 - QD2 LEU 93 lone 6 78 - 8 - HB3 LYS 46 - HG LEU 111 lone 6 80 - 7 - HB2 LYS 31 - QD2 LEU 111 lone 6 62 - 9 - 2409/3.1=1 HG2 GLN 42 - QD2 LEU 111 lone 5 61 - 8 - 6777/4796=1 HB3 LYS 46 - QD2 LEU 93 lone 5 97 - 5 - HB3 LYS 46 - QD2 LEU 111 lone 5 72 - 7 - HB2 ARG 53 - QD2 LEU 111 lone 5 77 - 6 - 4.0/6962=2 HB3 LEU 55 - QD2 LEU 111 lone 4 49 - 9 - ~7011=1, 4.2/7030=1 HB2 LEU 45 - QD2 LEU 93 lone 4 96 - 4 - HD2 LYS 109 - QD2 LEU 93 lone 4 81 - 4 - HB3 ARG 71 - QD2 LEU 93 lone 3 95 - 3 - HD3 LYS 109 - QD2 LEU 93 lone 3 73 - 4 - HG2 ARG 71 - QD2 LEU 93 lone 3 100 - 3 - HG2 GLN 42 - QD2 LEU 93 lone 3 87 - 3 - HG3 ARG 71 - QD2 LEU 93 lone 2 92 - 3 - HB2 LEU 45 - HG LEU 111 lone 2 77 - 3 - HG2 ARG 71 - HG LEU 111 lone 2 85 - 2 - HB2 LEU 45 - QD2 LEU 111 lone 2 70 - 3 - HB3 ARG 71 - HG LEU 111 lone 2 76 - 2 - HG2 ARG 71 - QD2 LEU 111 lone 2 77 - 2 - HD2 LYS 109 - HG LEU 111 lone 2 62 - 3 - HB3 ARG 71 - QD2 LEU 111 lone 2 68 - 2 - HG3 ARG 71 - HG LEU 111 lone 2 73 - 2 - HD2 LYS 109 - QD2 LEU 111 lone 2 55 - 3 - HG3 ARG 71 - QD2 LEU 111 lone 1 66 - 2 - HD3 LYS 109 - HG LEU 111 lone 1 56 - 3 - HD3 LYS 109 - QD2 LEU 111 lone 1 49 - 3 - Peak 7605 from cnoeabs.peaks (1.11, 0.76, 24.83 ppm; 3.43 A): 6 out of 12 assignments used, quality = 0.89: QG2 VAL 120 + QD2 LEU 93 OK 57 92 - 62 - 8378/2.1=17, 8053=11...(19) QG2 VAL 120 + HG LEU 111 OK 30 73 - 41 - 8053=7, 2.1/8049=5...(15) QG2 VAL 120 + QD2 LEU 111 OK 26 66 - 40 - 8053=6, 8053/2.1=5...(15) QG2 THR 62 + QD2 LEU 93 OK 26 100 - 26 - 8378/2.1=9, ~7607=3...(8) QD2 LEU 117 + QD2 LEU 93 OK 26 65 - 39 - 8378/2.1=10, 7998/4.7=6...(13) QD2 LEU 117 + HG LEU 111 OK 11 49 - 23 - 3.8/8004=3, 4.6/8002=2...(8) QG2 THR 62 - HG LEU 111 poor 9 85 - 10 - 4.0/1069=2, 7149/3536=1 QD2 LEU 117 - QD2 LEU 111 poor 9 43 - 20 - 3.8/8004=2, 4.6/8002=2...(6) QG2 THR 62 - QD2 LEU 111 lone 6 77 - 8 - 4.0/1069=1 QG2 VAL 50 - QD2 LEU 93 lone 3 65 - 4 - 8378/2.1=1 QG2 VAL 50 - HG LEU 111 lone 1 49 - 3 - QG2 VAL 50 - QD2 LEU 111 lone 1 43 - 2 - Peak 7606 from cnoeabs.peaks (0.94, 0.76, 24.83 ppm; 2.98 A): 16 out of 36 assignments used, quality = 0.93: QD1 ILE 63 + HG LEU 111 OK 23 84 - 27 - 3536=6, 2.1/3529=3...(7) QG2 ILE 22 + HG LEU 111 OK 20 76 - 26 - 2160/2.1=6, ~2153=2...(11) QD1 ILE 63 + QD2 LEU 93 OK 20 100 - 20 - 3536=5, 7131/4.7=2...(4) QG2 VAL 115 + HG LEU 111 OK 19 76 - 25 - 7978/3.0=7, 5901/4.9=3...(10) QG2 ILE 22 + QD2 LEU 111 OK 17 68 - 25 - 2160/2.1=6, ~2153=2...(9) QD1 LEU 117 + QD2 LEU 93 OK 17 63 - 26 - ~8378=4, 2.1/7605=3...(14) QD1 ILE 63 + QD2 LEU 111 OK 17 77 - 22 - 3536/2.1=4, 3536=3...(7) QG2 VAL 115 + QD2 LEU 111 OK 16 68 - 24 - 7978/3.1=7, 5114/4.0=2...(8) QG2 ILE 22 + QD2 LEU 93 OK 14 95 - 15 - 2159/2.1=2, ~2152=1 QD1 LEU 55 + QD2 LEU 93 OK 14 100 - 14 - 7003/4.7=3, 7611/3.8=1 QD1 LEU 41 + HG LEU 111 OK 13 84 - 16 - 8267/3.0=3, ~8266=2...(5) QD2 LEU 27 + QD2 LEU 93 OK 12 93 - 13 - 2299/3.1=1, 6533/4.7=1, ~8619=1 QG2 VAL 115 + QD2 LEU 93 OK 12 95 - 13 - 5116/2.1=2, 8169/3.1=1 QD1 LEU 27 + QD2 LEU 93 OK 12 97 - 13 - ~8619=1 QG2 ILE 124 + QD2 LEU 93 OK 11 81 - 14 - 8115/3.1=3, 8125/3.8=2...(6) QD1 LEU 41 + QD2 LEU 111 OK 10 76 - 14 - 8267/3.1=3, ~8266=1, ~6751=1 QD1 LEU 27 - HG LEU 111 poor 9 79 - 11 - 8267/3.0=1, 2292/3.0=1 QD2 LEU 27 - HG LEU 111 poor 8 75 - 11 - 2299/3.0=1 QD1 LEU 117 - HG LEU 111 poor 8 47 - 16 - 3.8/8004=2, 4.6/8002=1...(5) QG2 ILE 124 - HG LEU 111 poor 8 62 - 12 - 8115/3.0=2, 5353/3.0=1 QD1 LEU 27 - QD2 LEU 111 poor 7 71 - 10 - QD2 LEU 27 - QD2 LEU 111 poor 7 67 - 10 - 2299/3.1=1 QD1 LEU 55 - HG LEU 111 lone 6 85 - 7 - QG2 ILE 124 - QD2 LEU 111 poor 6 55 - 11 - 8115/3.1=2, 5353/3.1=1 QD1 LEU 117 - QD2 LEU 111 poor 6 41 - 14 - 3.8/8004=2, 4.6/8002=1...(4) QD1 LEU 41 - QD2 LEU 93 lone 6 100 - 6 - HB2 GLN 42 - HG LEU 111 lone 6 64 - 9 - 2827/4.9=2, 6013/4.3=2 QD1 LEU 55 - QD2 LEU 111 lone 5 77 - 6 - HB2 GLN 42 - QD2 LEU 111 lone 4 57 - 7 - 6013/4.0=2 QG2 VAL 49 - QD2 LEU 93 lone 3 89 - 3 - QG2 VAL 49 - HG LEU 111 lone 3 70 - 4 - QG2 VAL 49 - QD2 LEU 111 lone 2 62 - 3 - HB2 GLN 42 - QD2 LEU 93 lone 2 83 - 2 - QD1 LEU 126 - HG LEU 111 lone 1 45 - 1 - QD1 LEU 126 - QD2 LEU 93 lone 0 60 - 1 - QD1 LEU 126 - QD2 LEU 111 lone 0 39 - 1 - Peak 7607 from cnoeabs.peaks (3.99, 0.83, 25.26 ppm; 3.74 A): 3 out of 5 assignments used, quality = 0.69: HA LEU 117 + QD1 LEU 93 OK 52 100 - 52 - 8003=11, 3.8/8378=7...(16) HA THR 62 + QD1 LEU 93 OK 25 100 - 25 - 3.2/8378=8, 7101=3...(7) HA ARG 81 + QD1 LEU 93 OK 13 100 - 13 - 7433/2.1=3, ~7431=1, 8605/8377=1 HA ALA 14 - QD1 LEU 93 poor 9 60 - 15 - 6298/2.1=2, ~6305=2...(6) HA PHE 107 - QD1 LEU 93 lone 7 93 - 7 - 6194/3.1=1, 7602/2.1=1 Peak 7608 from cnoeabs.peaks (1.25, 1.38, 43.83 ppm; 4.72 A): 6 out of 8 assignments used, quality = 0.95: QG2 THR 116 + HB3 LEU 93 OK 72 92 - 78 - 8377/3.1=20, 7989/3.1=14...(19) HG13 ILE 124 + HB3 LEU 93 OK 46 92 - 51 - 2.1/8120=9, 3.2/8115=9...(15) QG2 ILE 80 + HB3 LEU 93 OK 36 95 - 38 - 7402/3.1=7, 8377/3.1=7...(9) QD1 ILE 80 + HB3 LEU 93 OK 29 93 - 31 - 8377/3.1=5, 7609/1.8=4...(8) HG3 LYS 32 + HB3 LEU 93 OK 12 99 - 12 - 5.0/122=3, 8377/3.1=2 QG2 THR 19 + HB3 LEU 93 OK 10 100 - 10 - 8377/3.1=2, 7609/1.8=2 HG LEU 54 - HB3 LEU 93 lone 5 63 - 8 - 8377/3.1=1 HG LEU 77 - HB3 LEU 93 lone 4 81 - 5 - Peak 7609 from cnoeabs.peaks (1.25, 1.47, 43.83 ppm; 3.90 A): 8 out of 16 assignments used, quality = 0.92: QG2 THR 116 + HB2 LEU 93 OK 64 92 - 70 - 8377/3.1=16, 7992=12...(19) HG13 ILE 124 + HB2 LEU 93 OK 34 92 - 38 - 7608/1.8=6, ~8120=5...(15) QG2 ILE 80 + HB2 LEU 93 OK 27 95 - 28 - 7402/3.1=6, 8377/3.1=5...(7) QD1 ILE 80 + HB2 LEU 93 OK 21 93 - 22 - 8377/3.1=4, 7608/1.8=4...(8) QG2 ILE 80 + HB3 LEU 58 OK 14 44 - 32 - 7401/3.1=4, ~7056=3...(12) QD1 ILE 80 + HB3 LEU 58 OK 14 43 - 32 - 7418/3.1=5, ~7056=4...(12) QG2 THR 19 + HB3 LEU 58 OK 11 50 - 23 - 6376/1.8=3, ~3355=3...(10) HG LEU 54 + HB3 LEU 58 OK 11 25 - 45 - ~7065=14, ~7068=10...(8) QG2 THR 116 - HB3 LEU 58 poor 9 42 - 22 - 7987/3.1=4, 7992=3...(8) HG3 LYS 32 - HB2 LEU 93 lone 8 99 - 8 - 7608/1.8=1, 8377/3.1=1 QG2 THR 19 - HB2 LEU 93 lone 7 100 - 7 - 8377/3.1=1, 7608/1.8=1 HG LEU 54 - HB2 LEU 93 lone 4 63 - 6 - 8377/3.1=1 HG LEU 77 - HB2 LEU 93 lone 2 81 - 3 - HG3 LYS 32 - HB3 LEU 58 lone 2 49 - 4 - HG LEU 77 - HB3 LEU 58 lone 1 34 - 3 - HG13 ILE 124 - HB3 LEU 58 lone 1 42 - 2 - Peak 7610 from cnoeabs.peaks (0.97, 1.47, 43.83 ppm; 4.08 A): 9 out of 14 assignments used, quality = 0.93: QG2 ILE 124 + HB2 LEU 93 OK 40 93 - 43 - 8115/1.8=9, 8125/3.0=6...(14) QD2 LEU 58 + HB2 LEU 93 OK 39 78 - 50 - 7600/1.8=5, 7601/3.0=5...(25) QD2 LEU 58 + HB3 LEU 58 OK 33 33 - 100 - 3.1=100 QG2 THR 95 + HB2 LEU 93 OK 30 100 - 30 - 7620/3.8=7, 7627/3.1=6...(9) QD1 LEU 101 + HB2 LEU 93 OK 25 93 - 26 - 8743/3.8=6, 8445/1.8=5...(5) HG3 LYS 65 + HB2 LEU 93 OK 18 98 - 19 - 7600/1.8=2, 7614/4.4=2...(6) HG2 LYS 65 + HB2 LEU 93 OK 18 98 - 19 - 7600/1.8=2, 7614/4.4=2...(6) QG1 VAL 18 + HB2 LEU 93 OK 11 95 - 12 - 2.1/8398=2, 6349/3.8=2...(5) QG1 VAL 18 + HB3 LEU 58 OK 10 44 - 24 - ~2000=3, ~1995=2...(12) QD1 LEU 101 - HB3 LEU 58 poor 7 43 - 16 - 1050/3.9=2, ~6368=1...(5) HG2 LYS 65 - HB3 LEU 58 lone 4 47 - 8 - HG3 LYS 65 - HB3 LEU 58 lone 4 47 - 8 - QG2 THR 95 - HB3 LEU 58 lone 4 50 - 8 - ~8749=1, ~8748=1 QG2 ILE 124 - HB3 LEU 58 lone 1 43 - 3 - Peak 7611 from cnoeabs.peaks (0.95, 4.38, 53.97 ppm; 4.73 A): 11 out of 11 assignments used, quality = 0.93: QG2 ILE 124 + HA LEU 93 OK 48 99 - 48 - 8115/3.0=10, 8125=9...(13) QD1 LEU 55 + HA LEU 93 OK 35 89 - 39 - 7003/3.0=10, ~8640=6...(12) QD1 ILE 63 + HA LEU 93 OK 25 97 - 25 - 7131/3.0=7, 7126/3.6=4...(7) QG2 THR 95 + HA LEU 93 OK 23 76 - 30 - 7620/3.0=9, 7614/3.6=7...(7) QD1 LEU 27 + HA LEU 93 OK 17 68 - 25 - ~6533=4, 3.1/4473=3...(13) QD2 LEU 27 + HA LEU 93 OK 14 60 - 24 - 6533/3.0=3, 3.1/4473=3...(12) QD1 LEU 41 + HA LEU 93 OK 14 83 - 16 - 4.3/5801=3, 2812/3.6=3...(5) QG2 VAL 115 + HA LEU 93 OK 13 63 - 21 - 4.3/1366=4, ~7965=3...(10) QG2 ILE 22 + HA LEU 93 OK 13 63 - 20 - 3.2/4476=3, ~8476=2...(10) HG2 LYS 65 + HA LEU 93 OK 12 60 - 20 - 7614/3.6=3, ~7610=2...(8) HG3 LYS 65 + HA LEU 93 OK 12 60 - 20 - 7614/3.6=3, ~7610=2...(8) Peak 7613 from cnoeabs.peaks (8.65, 0.76, 24.83 ppm; 4.22 A): 7 out of 15 assignments used, quality = 0.94: H LEU 117 + QD2 LEU 93 OK 54 95 - 57 - ~7607=10, 4.3/7989=10...(16) H VAL 120 + QD2 LEU 93 OK 39 100 - 39 - 4.0/7605=8, 4.0/8049=8...(11) H LEU 117 + HG LEU 111 OK 33 76 - 43 - 8002=6, 3.0/8004=5...(16) H LEU 117 + QD2 LEU 111 OK 27 68 - 40 - 8002=5, 8002/2.1=5...(15) H VAL 120 + HG LEU 111 OK 25 85 - 30 - 1523/5.3=6, 4.0/8053=5...(8) H LEU 59 + QD2 LEU 93 OK 22 85 - 26 - 1057/2.1=3, 1056/3.1=3...(10) H VAL 120 + QD2 LEU 111 OK 21 77 - 28 - 1523/4.7=7, 4.0/8053=4...(8) H LEU 59 - HG LEU 111 poor 9 66 - 14 - 1056/3.0=2, 3.6/7055=1 H LEU 59 - QD2 LEU 111 poor 7 59 - 12 - 1056/3.1=2, 271/4.7=1 H ASN 106 - QD2 LEU 93 lone 5 93 - 5 - 524/3.8=2 H ASN 12 - QD2 LEU 93 lone 3 78 - 3 - H ASN 106 - HG LEU 111 lone 2 75 - 2 - H ASN 106 - QD2 LEU 111 lone 1 67 - 2 - H ASN 12 - HG LEU 111 lone 1 60 - 2 - H ASN 12 - QD2 LEU 111 lone 1 53 - 2 - Peak 7616 from cnoeabs.peaks (7.39, 4.55, 59.80 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: H PHE 96 + HA THR 95 OK 100 100 - 100 - 3.6=100 HD21 ASN 79 - HA THR 95 OK 38 92 - 41 - 5813/3.0=9, 5814/3.2=7...(11) H GLU 75 - HA THR 95 lone 6 100 - 6 - 5813/3.0=1, 5814/3.2=1 H LYS 32 - HA THR 95 lone 4 81 - 4 - HE21 GLN 16 - HA THR 95 lone 1 85 - 1 - H SER 72 - HA THR 95 lone 1 63 - 2 - Peak 7617 from cnoeabs.peaks (7.28, 4.55, 59.80 ppm; 3.71 A): 1 out of 6 assignments used, quality = 0.53: QD PHE 96 + HA THR 95 OK 53 100 - 53 - 4709=14, 1253/3.6=12...(11) HE ARG 57 - HA THR 95 lone 6 95 - 6 - 1253/3.6=2, 7619/3.2=1 H VAL 26 - HA THR 95 lone 4 65 - 7 - 1253/3.6=2, 7618/3.0=1 HE ARG 71 - HA THR 95 lone 2 78 - 3 - HD1 TRP 20 - HA THR 95 lone 2 98 - 2 - HZ PHE 40 - HA THR 95 lone 2 89 - 2 - Peak 7618 from cnoeabs.peaks (7.26, 3.89, 68.17 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.85: QD PHE 96 + HB THR 95 OK 65 97 - 67 - 7617/3.0=20, 4706=17...(11) QE PHE 96 + HB THR 95 OK 56 90 - 62 - 2.2/4706=15, ~7617=13...(12) H VAL 26 - HB THR 95 lone 10 96 - 10 - 7619/2.1=2, 7617/3.0=2...(4) HE ARG 57 - HB THR 95 lone 9 100 - 9 - 1253/4.4=2, 7617/3.0=2 HE ARG 71 - HB THR 95 lone 4 99 - 4 - HD1 TRP 20 - HB THR 95 lone 3 73 - 4 - Peak 7619 from cnoeabs.peaks (7.27, 0.97, 21.16 ppm; 4.34 A): 3 out of 7 assignments used, quality = 0.90: QD PHE 96 + QG2 THR 95 OK 75 99 - 76 - 7617/3.2=25, 7618/2.1=17...(14) QE PHE 96 + QG2 THR 95 OK 56 81 - 70 - ~7617=15, 7618/2.1=15...(13) HE ARG 57 + QG2 THR 95 OK 12 100 - 12 - 1253/4.1=3, 7617/3.2=3 H VAL 26 - QG2 THR 95 poor 9 89 - 10 - 7618/2.1=3, 7617/3.2=2 HZ PHE 40 - QG2 THR 95 lone 5 65 - 8 - 3.8/7620=3, 2.2/4680=2 HE ARG 71 - QG2 THR 95 lone 5 96 - 5 - 7618/2.1=1, 7617/3.2=1 HD1 TRP 20 - QG2 THR 95 lone 4 85 - 5 - 7617/3.2=1 Peak 7620 from cnoeabs.peaks (7.10, 0.97, 21.16 ppm; 4.25 A): 4 out of 5 assignments used, quality = 0.75: HZ PHE 96 + QG2 THR 95 OK 39 87 - 45 - 2.2/7619=12, 3.8/7619=11...(11) H LEU 93 + QG2 THR 95 OK 37 99 - 37 - 7595=7, 4.6/7614=5...(12) QD PHE 83 + QG2 THR 95 OK 24 90 - 26 - 7621/2.1=6, 2.5/7628=6...(7) QD PHE 40 + QG2 THR 95 OK 14 78 - 18 - 7621/2.1=4, 4670=3...(4) HE ARG 92 - QG2 THR 95 lone 8 98 - 8 - 7621/2.1=2, 7521/8529=1 Peak 7621 from cnoeabs.peaks (7.12, 3.89, 68.17 ppm; 4.93 A): 4 out of 5 assignments used, quality = 0.52: QD PHE 83 + HB THR 95 OK 24 100 - 24 - 2.5/7629=6, 7620/2.1=6...(5) QD PHE 40 + HB THR 95 OK 16 100 - 16 - 4670/2.1=4, 7479/7625=3...(4) H LEU 93 + HB THR 95 OK 15 68 - 22 - 7620/2.1=9, 4.7/7624=3...(4) HE ARG 53 + HB THR 95 OK 11 85 - 13 - 2.9/3170=3, 2.9/3162=3...(6) HE ARG 92 - HB THR 95 lone 7 97 - 7 - 7620/2.1=2, 7479/7625=1 Peak 7623 from cnoeabs.peaks (0.14, 4.55, 59.80 ppm; 4.07 A): 3 out of 3 assignments used, quality = 0.87: QD2 LEU 84 + HA THR 95 OK 74 100 - 74 - 7477/3.6=24, 7625/3.0=21...(11) QG1 VAL 110 + HA THR 95 OK 38 100 - 38 - 7626/3.2=10, 7625/3.0=9...(6) QD2 LEU 51 + HA THR 95 OK 21 87 - 24 - 7631/3.6=4, 7622/3.0=4...(10) Peak 7624 from cnoeabs.peaks (0.74, 3.89, 68.17 ppm; 4.52 A): 5 out of 8 assignments used, quality = 0.91: QD1 LEU 84 + HB THR 95 OK 81 100 - 81 - 2.1/7625=30, ~7626=18...(15) QD2 LEU 93 + HB THR 95 OK 23 97 - 24 - 7627/2.1=5, 4.7/7621=4...(7) HG LEU 111 + HB THR 95 OK 18 99 - 18 - 7627/2.1=3, 2.1/7901=3...(7) QD2 LEU 111 + HB THR 95 OK 17 97 - 17 - ~7627=3, 2.1/7901=3...(7) QG2 VAL 66 + HB THR 95 OK 12 60 - 20 - 7627/2.1=4, 7630/4.4=4...(7) QG2 ILE 63 - HB THR 95 poor 10 89 - 11 - 7627/2.1=3, 7630/4.4=2 QD1 LEU 91 - HB THR 95 lone 9 100 - 9 - 7630/4.4=2, 7627/2.1=2 QD1 LEU 114 - HB THR 95 lone 7 83 - 8 - 7947/7625=1 Peak 7625 from cnoeabs.peaks (0.13, 3.89, 68.17 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.80: QD2 LEU 84 + HB THR 95 OK 71 99 - 72 - 7487=23, 7626/2.1=18...(13) QG1 VAL 110 + HB THR 95 OK 31 99 - 32 - 7626/2.1=10, 7623/3.0=6...(7) QD2 LEU 51 - HB THR 95 poor 10 63 - 15 - 7626/2.1=3, 7623/3.0=3...(4) Peak 7626 from cnoeabs.peaks (0.13, 0.97, 21.16 ppm; 3.61 A): 3 out of 3 assignments used, quality = 0.88: QD2 LEU 84 + QG2 THR 95 OK 77 100 - 77 - 7625/2.1=22, 7486=22...(15) QG1 VAL 110 + QG2 THR 95 OK 42 100 - 42 - 7625/2.1=10, 7873=7...(13) QD2 LEU 51 + QG2 THR 95 OK 14 76 - 19 - 7623/3.2=4, 7625/2.1=3...(5) Peak 7627 from cnoeabs.peaks (0.76, 0.97, 21.16 ppm; 3.71 A): 5 out of 6 assignments used, quality = 0.80: QD1 LEU 84 + QG2 THR 95 OK 59 90 - 66 - 2.1/7626=21, ~7625=14...(12) QD2 LEU 93 + QG2 THR 95 OK 23 98 - 23 - 4.7/7620=5, 2.1/7601=3...(8) QG2 VAL 66 + QG2 THR 95 OK 17 98 - 17 - 7195/3.2=3, 7630/4.1=3...(5) HG LEU 111 + QG2 THR 95 OK 13 95 - 14 - 7624/2.1=2, ~7624=2...(5) QG2 ILE 63 + QG2 THR 95 OK 12 100 - 12 - 7142/8529=3, 7630/4.1=2 QD1 LEU 91 - QG2 THR 95 lone 8 83 - 9 - 7630/4.1=2, 7546/8529=1 Peak 7628 from cnoeabs.peaks (3.50, 0.97, 21.16 ppm; 4.21 A): 3 out of 5 assignments used, quality = 0.92: HB2 PHE 96 + QG2 THR 95 OK 67 98 - 69 - 3.6/474=20, 2.4/7619=15...(14) HA LEU 84 + QG2 THR 95 OK 67 99 - 67 - 7485=19, 3.9/7626=17...(13) HB2 PHE 83 + QG2 THR 95 OK 29 97 - 29 - 2.5/7620=7, ~7621=6...(9) HA VAL 18 - QG2 THR 95 poor 7 65 - 10 - 7629/2.1=1 HB3 SER 44 - QG2 THR 95 lone 5 98 - 5 - Peak 7629 from cnoeabs.peaks (3.50, 3.89, 68.17 ppm; 4.86 A): 3 out of 5 assignments used, quality = 0.95: HB2 PHE 96 + HB THR 95 OK 76 98 - 78 - 3.6/5813=27, 2.4/4706=20...(13) HA LEU 84 + HB THR 95 OK 70 99 - 70 - 3.9/7625=24, 7485/2.1=18...(11) HB2 PHE 83 + HB THR 95 OK 31 97 - 32 - 2.5/7621=12, 7628/2.1=7...(7) HA VAL 18 - HB THR 95 poor 7 65 - 11 - 3.2/4549=2, 7628/2.1=2 HB3 SER 44 - HB THR 95 lone 5 98 - 5 - 7628/2.1=1 Peak 7633 from cnoeabs.peaks (1.91, 3.52, 38.61 ppm; 4.64 A): 3 out of 15 assignments used, quality = 0.96: HB2 LEU 84 + HB2 PHE 96 OK 78 100 - 78 - 7635/1.8=12, 3.1/7637=12...(21) HG LEU 84 + HB2 PHE 96 OK 64 85 - 75 - 2.1/7637=14, ~7478=13...(17) HB ILE 80 + HB2 PHE 96 OK 48 92 - 52 - ~7391=13, ~4711=11...(8) HB2 ARG 81 - HB2 PHE 96 OK 12 100 - 12 - 3.0/7441=3, 7635/1.8=2 HB2 LEU 21 - HB2 PHE 96 lone 8 85 - 10 - ~6395=2, ~6559=2...(4) HB ILE 22 - HB2 PHE 96 lone 7 100 - 7 - 4719/4.4=1 HG LEU 58 - HB2 PHE 96 lone 6 71 - 9 - ~4712=2, 3370/7847=1...(5) HB3 LYS 31 - HB2 PHE 96 lone 6 78 - 7 - 4.7/4561=2 HB2 GLU 28 - HB2 PHE 96 lone 5 100 - 5 - HB2 LYS 119 - HB2 PHE 96 lone 4 78 - 5 - HB3 GLU 73 - HB2 PHE 96 lone 4 100 - 4 - HG LEU 55 - HB2 PHE 96 lone 4 76 - 5 - HB VAL 50 - HB2 PHE 96 lone 2 78 - 3 - HB3 MET 11 - HB2 PHE 96 lone 2 98 - 2 - HB3 GLU 64 - HB2 PHE 96 lone 1 63 - 2 - Peak 7634 from cnoeabs.peaks (1.77, 3.52, 38.61 ppm; 5.07 A): 2 out of 15 assignments used, quality = 0.98: HD3 LYS 109 + HB2 PHE 96 OK 86 99 - 86 - 3.9/7846=20, 3.9/7847=19...(18) HD2 LYS 109 + HB2 PHE 96 OK 84 98 - 86 - 3.9/7846=20, 3.9/7847=19...(18) HB2 LYS 32 - HB2 PHE 96 OK 32 92 - 35 - 8755/1.8=4, 4.7/4564=4...(12) HG3 PRO 30 - HB2 PHE 96 OK 19 99 - 19 - ~6605=4, ~6587=3...(5) HG LEU 117 - HB2 PHE 96 OK 10 98 - 10 - ~7997=6, 7636/1.8=1 HB2 LEU 117 - HB2 PHE 96 lone 9 100 - 9 - ~7997=5, 7636/1.8=1 HB2 GLU 75 - HB2 PHE 96 lone 9 100 - 9 - 3954/3.6=2, 4.0/4561=1 HG3 ARG 71 - HB2 PHE 96 lone 7 92 - 8 - 3.6/4567=1, 7636/1.8=1 HB3 LYS 46 - HB2 PHE 96 lone 5 83 - 7 - 4897/7846=1, 4906/7847=1 HB2 PRO 37 - HB2 PHE 96 lone 5 92 - 6 - ~4707=2 HG2 ARG 71 - HB2 PHE 96 lone 4 63 - 7 - 3.6/4567=1 HB2 LEU 45 - HB2 PHE 96 lone 4 87 - 5 - HG2 GLN 42 - HB2 PHE 96 lone 4 96 - 4 - HB VAL 66 - HB2 PHE 96 lone 2 73 - 3 - HB3 GLU 56 - HB2 PHE 96 lone 2 81 - 2 - Peak 7635 from cnoeabs.peaks (1.91, 2.93, 38.61 ppm; 4.75 A): 3 out of 15 assignments used, quality = 0.95: HB2 LEU 84 + HB3 PHE 96 OK 75 100 - 75 - 7633/1.8=13, ~7478=11...(17) HG LEU 84 + HB3 PHE 96 OK 63 85 - 74 - ~7478=14, ~4714=12...(15) HB ILE 80 + HB3 PHE 96 OK 46 92 - 50 - ~7391=13, ~4711=11...(8) HB2 ARG 81 - HB3 PHE 96 OK 12 100 - 12 - 4.3/1175=3, ~7441=3...(4) HB2 LEU 21 - HB3 PHE 96 lone 7 85 - 8 - ~6395=2, ~6559=2...(4) HG LEU 58 - HB3 PHE 96 lone 7 71 - 9 - ~4712=3, 3.0/7639=1...(4) HB3 LYS 31 - HB3 PHE 96 lone 6 78 - 7 - 4.7/4568=3, 7632/3.6=1 HB ILE 22 - HB3 PHE 96 lone 5 100 - 5 - 4719/4.4=1, 7633/1.8=1 HB2 LYS 119 - HB3 PHE 96 lone 4 78 - 5 - HB2 GLU 28 - HB3 PHE 96 lone 4 100 - 4 - HG LEU 55 - HB3 PHE 96 lone 4 76 - 5 - 8640/5.8=1 HB3 GLU 73 - HB3 PHE 96 lone 3 100 - 3 - HB3 GLU 64 - HB3 PHE 96 lone 3 63 - 5 - 4.6/7162=3 HB VAL 50 - HB3 PHE 96 lone 2 78 - 2 - HB3 MET 11 - HB3 PHE 96 lone 2 98 - 2 - Peak 7636 from cnoeabs.peaks (1.76, 2.93, 38.61 ppm; 4.94 A): 2 out of 16 assignments used, quality = 0.96: HD2 LYS 109 + HB3 PHE 96 OK 80 100 - 80 - 7848/1.8=15, 3.0/7639=12...(19) HD3 LYS 109 + HB3 PHE 96 OK 80 100 - 80 - 7848/1.8=15, 3.0/7639=12...(19) HB2 LYS 32 - HB3 PHE 96 OK 20 71 - 28 - 7634/1.8=4, 8755=4...(11) HG3 PRO 30 - HB3 PHE 96 OK 19 100 - 19 - 1.8/6605=5, ~6587=3...(5) HB2 LEU 91 - HB3 PHE 96 OK 10 65 - 15 - ~7484=5, ~4713=3...(5) HG LEU 117 - HB3 PHE 96 lone 10 100 - 10 - ~7997=6, 7634/1.8=1 HB2 GLU 75 - HB3 PHE 96 lone 8 93 - 9 - 3954/3.6=2, 4.0/4568=1...(4) HB2 LEU 117 - HB3 PHE 96 lone 8 96 - 9 - ~7997=4, 7634/1.8=1 HG3 ARG 71 - HB3 PHE 96 lone 7 100 - 7 - 3.6/4574=1 HG2 ARG 71 - HB3 PHE 96 lone 6 87 - 6 - 3.6/4574=1 HB3 LYS 46 - HB3 PHE 96 lone 5 97 - 5 - HB2 PRO 37 - HB3 PHE 96 lone 4 71 - 5 - ~4707=2 HB2 LEU 45 - HB3 PHE 96 lone 4 99 - 4 - HG2 GLN 42 - HB3 PHE 96 lone 3 100 - 3 - HB VAL 66 - HB3 PHE 96 lone 3 93 - 3 - HB2 ARG 53 - HB3 PHE 96 lone 2 83 - 2 - Peak 7637 from cnoeabs.peaks (0.13, 3.52, 38.61 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.99: QG1 VAL 110 + HB2 PHE 96 OK 94 100 - 94 - 2.1/7638=39, ~4715=33...(18) QD2 LEU 84 + HB2 PHE 96 OK 87 100 - 87 - 7477/3.6=33, 7478/2.4=22...(19) QD2 LEU 51 - HB2 PHE 96 OK 29 76 - 38 - 6940/5.8=10, 4714/2.4=8...(9) Peak 7638 from cnoeabs.peaks (0.00, 3.52, 38.61 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 110 + HB2 PHE 96 OK 90 96 - 94 - 4715/2.4=41, 7640/1.8=41...(15) Peak 7639 from cnoeabs.peaks (1.47, 2.93, 38.61 ppm; 5.16 A): 5 out of 15 assignments used, quality = 0.90: HG2 LYS 109 + HB3 PHE 96 OK 79 99 - 80 - ~7847=18, ~7846=18...(14) HG3 ARG 57 + HB3 PHE 96 OK 31 99 - 31 - ~4819=7, 8642/2.4=7...(7) HG LEU 91 + HB3 PHE 96 OK 15 92 - 16 - ~7484=6, ~4713=4...(5) HG LEU 24 + HB3 PHE 96 OK 13 73 - 18 - 6474/2.4=5, ~6476=4...(5) HB3 LEU 114 + HB3 PHE 96 OK 10 68 - 15 - ~4708=4, ~4713=4...(5) HB3 LEU 58 - HB3 PHE 96 poor 10 95 - 10 - ~4712=2, 4904/7840=1, 3.0/7635=1 HB2 LEU 93 - HB3 PHE 96 lone 8 98 - 8 - 4477/5.8=4, ~4713=2 HG LEU 93 - HB3 PHE 96 lone 6 87 - 7 - ~4713=3, 4491/5.8=2 HB3 GLU 75 - HB3 PHE 96 lone 6 73 - 8 - 4.0/4568=1, 3960/3.6=1...(4) HD2 LYS 46 - HB3 PHE 96 lone 5 90 - 5 - HG3 LYS 31 - HB3 PHE 96 lone 4 97 - 5 - HG2 LYS 119 - HB3 PHE 96 lone 4 93 - 5 - HG2 ARG 85 - HB3 PHE 96 lone 3 73 - 5 - QB ALA 14 - HB3 PHE 96 lone 3 98 - 3 - HB3 LEU 45 - HB3 PHE 96 lone 2 73 - 3 - Peak 7640 from cnoeabs.peaks (0.01, 2.93, 38.61 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 110 + HB3 PHE 96 OK 91 100 - 91 - 4715/2.4=44, 7638/1.8=36...(14) Peak 7645 from cnoeabs.peaks (3.13, 2.79, 43.47 ppm; 4.23 A): 3 out of 9 assignments used, quality = 0.58: HB3 ASP 100 + HB2 ASP 97 OK 45 96 - 47 - 3.8/7649=18, 7646/1.8=16...(5) HD3 ARG 57 + HB2 ASP 97 OK 14 100 - 15 - 7646/1.8=5, 7644/3.9=5, ~7654=3 HB2 HIS 10 + HB2 ASP 97 OK 11 73 - 15 - 4.4/7649=7, 7644/3.9=5 HB3 CYS 76 - HB2 ASP 97 lone 8 93 - 8 - 7646/1.8=3, 7676/7650=2 HB2 PHE 107 - HB2 ASP 97 lone 7 89 - 8 - 4.6/1318=3, 7646/1.8=2 HD3 ARG 81 - HB2 ASP 97 lone 5 100 - 5 - 7646/1.8=2, 7644/3.9=2 HD2 ARG 92 - HB2 ASP 97 lone 4 83 - 5 - 7644/3.9=2, 7646/1.8=1 HD3 ARG 92 - HB2 ASP 97 lone 4 81 - 5 - 7644/3.9=2, 7646/1.8=1 HB3 CYS 52 - HB2 ASP 97 lone 2 96 - 2 - Peak 7646 from cnoeabs.peaks (3.12, 2.60, 43.47 ppm; 4.58 A): 3 out of 10 assignments used, quality = 0.66: HB3 ASP 100 + HB3 ASP 97 OK 53 99 - 54 - 3.8/7651=19, 7645/1.8=19...(7) HD3 ARG 57 + HB3 ASP 97 OK 18 100 - 18 - 7645/1.8=6, 7644/3.9=5...(4) HB2 HIS 10 + HB3 ASP 97 OK 11 60 - 18 - 4.4/7651=8, 7645/1.8=5 HB3 CYS 76 - HB3 ASP 97 lone 9 98 - 9 - 7645/1.8=3, 7676/7652=2 HB2 PHE 107 - HB3 ASP 97 lone 7 96 - 7 - 7645/1.8=3, 7676/7652=2 HD3 ARG 81 - HB3 ASP 97 lone 6 99 - 6 - 7645/1.8=2, 7644/3.9=1 HD2 ARG 92 - HB3 ASP 97 lone 4 71 - 6 - 7644/3.9=2, 7645/1.8=2, ~7645=1 HD3 ARG 92 - HB3 ASP 97 lone 4 68 - 6 - 7644/3.9=2, 7645/1.8=2, ~7645=1 HB3 CYS 52 - HB3 ASP 97 lone 3 99 - 3 - HD3 ARG 53 - HB3 ASP 97 lone 1 63 - 1 - Peak 7647 from cnoeabs.peaks (3.52, 2.60, 43.47 ppm; 4.92 A): 2 out of 7 assignments used, quality = 0.73: HB2 PHE 96 + HB3 ASP 97 OK 55 97 - 57 - 4.3/1257=31, 2.4/7654=15...(6) HB2 ASP 47 + HB3 ASP 97 OK 40 90 - 44 - 7648/1.8=19, 3016=8...(7) HB2 PHE 83 - HB3 ASP 97 lone 6 97 - 6 - 477/3.9=3, 7648/1.8=2 HA LEU 84 - HB3 ASP 97 lone 5 68 - 8 - 477/3.9=5, 4597/7654=1 HD2 PRO 60 - HB3 ASP 97 lone 2 71 - 3 - 7648/1.8=1 HA ASN 118 - HB3 ASP 97 lone 2 73 - 3 - 7648/1.8=1 HB3 SER 44 - HB3 ASP 97 lone 1 60 - 2 - Peak 7648 from cnoeabs.peaks (3.54, 2.79, 43.47 ppm; 5.25 A): 0 out of 5 assignments used, low quality = 0.30: HB2 ASP 47 - HB2 ASP 97 OK 30 100 - 30 - 7647/1.8=11, ~4599=8...(5) HB2 PHE 83 - HB2 ASP 97 lone 3 57 - 5 - 477/3.9=2, 7647/1.8=2 HD2 PRO 60 - HB2 ASP 97 lone 2 100 - 2 - HA ASN 118 - HB2 ASP 97 lone 2 100 - 2 - HA LEU 51 - HB2 ASP 97 lone 1 92 - 1 - Peak 7649 from cnoeabs.peaks (8.21, 2.79, 43.47 ppm; 4.11 A): 2 out of 3 assignments used, quality = 0.62: H ASP 100 + HB2 ASP 97 OK 51 99 - 52 - 7651/1.8=23, 4.6/7650=17...(5) H MET 11 + HB2 ASP 97 OK 22 100 - 22 - 7651/1.8=11, 1725/3.9=3...(6) H LEU 21 - HB2 ASP 97 lone 2 97 - 2 - Peak 7650 from cnoeabs.peaks (8.79, 2.79, 43.47 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.82: H ASN 99 + HB2 ASP 97 OK 82 100 - 82 - 7652/1.8=38, 1501/4.6=27...(9) H GLU 15 - HB2 ASP 97 lone 4 78 - 5 - 1501/4.6=2, 489/7649=1 Peak 7651 from cnoeabs.peaks (8.22, 2.60, 43.47 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.79: H ASP 100 + HB3 ASP 97 OK 69 100 - 70 - 7649/1.8=28, 7691=27...(7) H MET 11 + HB3 ASP 97 OK 33 97 - 34 - 7691=13, 7649/1.8=12...(7) H LEU 21 - HB3 ASP 97 lone 2 92 - 3 - 7649/1.8=1 Peak 7652 from cnoeabs.peaks (8.80, 2.60, 43.47 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.80: H ASN 99 + HB3 ASP 97 OK 80 93 - 85 - 7650/1.8=37, 7675=33...(9) Peak 7654 from cnoeabs.peaks (7.26, 2.60, 43.47 ppm; 5.25 A): 3 out of 6 assignments used, quality = 0.79: QD PHE 96 + HB3 ASP 97 OK 60 97 - 62 - 4.4/1257=33, 2.4/7647=20...(6) QE PHE 96 + HB3 ASP 97 OK 34 90 - 38 - 4.4/7647=14, 481/3.9=10...(6) HE ARG 57 + HB3 ASP 97 OK 21 100 - 21 - 2.9/7646=6, 481/3.9=5...(6) H VAL 26 - HB3 ASP 97 lone 6 96 - 6 - 7658/4.6=2, 481/3.9=2 HE ARG 71 - HB3 ASP 97 lone 4 99 - 4 - 481/3.9=1, 7658/4.6=1 HD1 TRP 20 - HB3 ASP 97 lone 3 73 - 4 - Peak 7655 from cnoeabs.peaks (8.47, 1.42, 18.97 ppm; 4.55 A): 4 out of 24 assignments used, quality = 0.74: H TYR 102 + QB ALA 98 OK 44 99 - 44 - 6179/4.5=14, 4.0/8360=6...(14) H LEU 84 + QB ALA 98 OK 30 71 - 42 - 4.6/7668=12, 4.6/7666=6...(10) H GLU 82 + QB ALA 98 OK 26 73 - 36 - 4.6/7659=14, 3.6/7435=9...(7) H GLU 28 + QB ALA 98 OK 11 63 - 17 - 6179/4.5=3, 6177/2.1=1 H GLN 16 - QB ALA 98 poor 9 81 - 11 - 28/3.5=3, 4.6/5825=2, 6179/4.5=1 H PHE 40 - QB ALA 98 lone 8 87 - 9 - 6179/4.5=2, 6177/2.1=2 H LEU 84 - QB ALA 89 poor 6 40 - 14 - 404/4.8=4, 4.6/7668=1...(6) H TYR 102 - QB ALA 89 lone 5 63 - 9 - 502=1 H GLU 82 - QB ALA 89 poor 5 41 - 13 - 4.6/7659=4, 3.6/7435=3...(5) H LYS 31 - QB ALA 98 lone 4 68 - 6 - H PHE 40 - QB ALA 89 lone 3 51 - 5 - 160/4.3=1, 160/4.3=1 H TYR 102 - QB ALA 122 lone 3 55 - 5 - H GLU 82 - QB ALA 122 lone 3 36 - 7 - 4.6/7659=2, 3.6/7435=2 H GLY 2 - QB ALA 98 lone 2 89 - 2 - H GLU 28 - QB ALA 122 lone 2 30 - 6 - 3.6/2264=1 H GLN 16 - QB ALA 89 lone 2 47 - 3 - H GLU 28 - QB ALA 89 lone 1 35 - 4 - H LYS 31 - QB ALA 89 lone 1 38 - 4 - H LYS 31 - QB ALA 122 lone 1 33 - 4 - ~1803=2 H LEU 84 - QB ALA 122 lone 1 34 - 4 - H GLN 16 - QB ALA 122 lone 1 40 - 2 - H PHE 40 - QB ALA 122 lone 1 44 - 2 - H GLY 2 - QB ALA 89 lone 1 53 - 1 - H GLY 2 - QB ALA 122 lone 0 46 - 1 - Peak 7656 from cnoeabs.peaks (7.26, 1.42, 18.97 ppm; 4.50 A): 4 out of 18 assignments used, quality = 0.88: QD PHE 96 + QB ALA 98 OK 68 97 - 71 - 4702/2.9=15, 4710=10...(20) QE PHE 96 + QB ALA 98 OK 50 90 - 55 - ~4702=10, 7658/2.9=9...(14) H VAL 26 + QB ALA 98 OK 14 96 - 15 - 6495=4, 7658/2.9=2, 7657/2.1=1 HE ARG 57 + QB ALA 98 OK 13 100 - 13 - 7658/2.9=3, 8546/2.1=2...(4) HE ARG 71 - QB ALA 98 lone 7 99 - 7 - 2.9/8361=2, 7658/2.9=1 QD PHE 96 - QB ALA 89 lone 4 61 - 7 - 4710=1 QE PHE 96 - QB ALA 89 lone 3 54 - 6 - H VAL 26 - QB ALA 89 lone 3 59 - 4 - HD1 TRP 20 - QB ALA 98 lone 3 73 - 3 - QD PHE 96 - QB ALA 122 lone 3 53 - 5 - QE PHE 96 - QB ALA 122 lone 2 47 - 4 - H VAL 26 - QB ALA 122 lone 2 52 - 3 - HD1 TRP 20 - QB ALA 89 lone 2 41 - 4 - HE ARG 71 - QB ALA 89 lone 1 64 - 2 - HE ARG 57 - QB ALA 89 lone 1 66 - 2 - HE ARG 71 - QB ALA 122 lone 1 56 - 1 - HE ARG 57 - QB ALA 122 lone 1 58 - 1 - HD1 TRP 20 - QB ALA 122 lone 1 36 - 2 - Peak 7657 from cnoeabs.peaks (7.24, 4.13, 56.52 ppm; 4.00 A): 7 out of 21 assignments used, quality = 0.83: QE PHE 96 + HA ALA 98 OK 51 100 - 51 - 4716=10, 2.2/4707=9...(11) HE ARG 57 + HA ARG 57 OK 25 43 - 57 - 6.3=26, 2.9/3332=11...(9) H VAL 26 + HA ARG 57 OK 19 61 - 32 - 92=6, 4.0/6504=6...(12) QD TYR 102 + HA ALA 98 OK 15 87 - 18 - 4744/2.1=5, ~8360=4...(6) QE PHE 96 + HA ARG 57 OK 14 63 - 21 - 4716=4, 4718/3.0=3...(7) QE PHE 96 + HA ASN 108 OK 12 98 - 12 - 4716=2, 2.2/4707=2, 4704/4.3=2 H VAL 26 + HA ALA 98 OK 10 99 - 10 - 6495/2.1=3, 92=1, 7658/3.0=1 HE ARG 57 - HA ALA 98 poor 8 78 - 10 - 7658/3.0=2, 7656/2.1=1...(4) QE PHE 40 - HA ALA 98 lone 6 81 - 8 - QD TYR 102 - HA ASN 108 lone 5 83 - 6 - 4.5/1734=2 H LYS 65 - HA ALA 98 lone 5 65 - 7 - 7172=1 QE PHE 40 - HA ASN 108 lone 4 77 - 6 - QD TYR 102 - HA ARG 57 lone 4 49 - 8 - 4735/3.6=2, ~4758=2, ~7752=1 HE ARG 71 - HA ALA 98 lone 4 95 - 4 - ~8361=1 H VAL 26 - HA ASN 108 lone 4 96 - 4 - HE ARG 57 - HA ASN 108 lone 3 75 - 4 - H LYS 65 - HA ASN 108 lone 3 62 - 5 - H LYS 65 - HA ARG 57 lone 2 35 - 7 - 4.6/293=1 QE PHE 40 - HA ARG 57 lone 1 45 - 3 - HE ARG 71 - HA ARG 57 lone 1 56 - 2 - HE ARG 71 - HA ASN 108 lone 1 91 - 1 - Peak 7659 from cnoeabs.peaks (9.07, 1.42, 18.97 ppm; 4.75 A): 2 out of 6 assignments used, quality = 0.65: H ARG 81 + QB ALA 98 OK 59 96 - 62 - 7436=13, 2.9/7435=11...(15) H ARG 81 + QB ALA 89 OK 16 59 - 26 - 7436=6, 2.9/7435=3...(9) H ARG 81 - QB ALA 122 poor 8 52 - 15 - 7436=2, 2.9/7435=2...(7) H ARG 71 - QB ALA 98 lone 4 83 - 5 - 6.2/8361=1 H ARG 71 - QB ALA 89 lone 2 48 - 4 - H ARG 71 - QB ALA 122 lone 1 42 - 2 - Peak 7662 from cnoeabs.peaks (0.75, 4.13, 56.52 ppm; 3.59 A): 8 out of 24 assignments used, quality = 0.94: QD1 LEU 84 + HA ALA 98 OK 49 100 - 49 - 7482/3.0=11, 7666/2.1=7...(14) HG LEU 111 + HA ALA 98 OK 34 100 - 34 - 3.0/6199=5, 3.0/6201=5...(12) QG2 ILE 63 + HA ARG 57 OK 34 57 - 59 - 3513=7, 7124/3.0=7...(35) HG LEU 111 + HA ASN 108 OK 33 98 - 34 - 3.0/6199=6, 3.0/6201=6...(10) QD2 LEU 111 + HA ALA 98 OK 30 90 - 33 - 3.1/6199=5, 3.1/6201=4...(11) QD2 LEU 111 + HA ASN 108 OK 28 87 - 32 - 3.1/6199=6, 3.1/6201=5...(10) QD1 LEU 91 + HA ALA 98 OK 15 100 - 15 - 7666/2.1=3, 7661/3.0=3...(5) QG2 ILE 63 + HA ALA 98 OK 13 96 - 14 - 3513=2, 7661/3.0=2, 7666/2.1=1 QD2 LEU 93 - HA ALA 98 lone 9 99 - 9 - 7661/3.0=1, 7666/2.1=1 QD1 LEU 84 - HA ASN 108 lone 8 99 - 8 - 7488=1, 2.1/7670=1 QD1 LEU 114 - HA ALA 98 poor 7 71 - 10 - 7661/3.0=2, 7666/2.1=1 QG2 ILE 63 - HA ASN 108 lone 7 93 - 7 - 3513=1 HG LEU 111 - HA ARG 57 lone 5 64 - 8 - QD2 LEU 93 - HA ASN 108 lone 5 97 - 5 - QD2 LEU 111 - HA ARG 57 lone 4 52 - 7 - QD1 LEU 91 - HA ASN 108 lone 3 98 - 3 - QD1 LEU 84 - HA ARG 57 lone 3 64 - 5 - QD1 LEU 91 - HA ARG 57 lone 3 63 - 5 - 4407/3.6=1 QD1 LEU 114 - HA ARG 57 lone 3 38 - 7 - ~7957=1 QD2 LEU 93 - HA ARG 57 lone 3 62 - 4 - QD1 LEU 114 - HA ASN 108 lone 2 67 - 4 - QG2 VAL 66 - HA ALA 98 lone 2 73 - 2 - QG2 VAL 66 - HA ARG 57 lone 1 40 - 3 - QG2 VAL 66 - HA ASN 108 lone 1 70 - 2 - Peak 7663 from cnoeabs.peaks (4.84, 1.42, 18.97 ppm; 4.13 A): 3 out of 9 assignments used, quality = 0.89: HA ASP 97 + QB ALA 98 OK 82 99 - 83 - 483/2.9=36, 8699/3.5=15...(15) HA PHE 96 + QB ALA 98 OK 28 65 - 43 - 3.7/7656=9, 3.6/4611=9...(9) HA TYR 67 + QB ALA 98 OK 14 95 - 15 - 8699/3.5=5, 483/2.9=3...(6) HA TYR 67 - QB ALA 89 lone 2 58 - 4 - ~315=1 HA ASP 97 - QB ALA 89 lone 1 63 - 2 - HA ASP 97 - QB ALA 122 lone 1 55 - 2 - 3.6/1260=1 HA PHE 96 - QB ALA 89 lone 1 36 - 2 - HA TYR 67 - QB ALA 122 lone 1 51 - 1 - HA PHE 96 - QB ALA 122 lone 1 31 - 2 - Peak 7664 from cnoeabs.peaks (1.89, 1.42, 18.97 ppm; 3.50 A): 5 out of 48 assignments used, quality = 0.79: HG LEU 84 + QB ALA 98 OK 45 100 - 45 - 2.1/7668=10, 2.1/7666=8...(14) HB2 LEU 84 + QB ALA 98 OK 34 90 - 37 - 3.1/7668=9, 3.1/7666=6...(11) HB2 ARG 81 + QB ALA 98 OK 23 81 - 28 - 4.0/7659=9, 3.0/7435=6...(5) HB VAL 50 + QB ALA 98 OK 16 100 - 16 - 2.1/7667=7, ~7674=3...(5) HB2 LYS 119 + QB ALA 122 OK 13 58 - 22 - ~6267=8, 3.0/6272=8...(4) HB2 ARG 92 - QB ALA 89 poor 6 61 - 10 - 3.6/446=4, 4422/2.9=2...(4) HB2 LEU 58 - QB ALA 89 lone 5 56 - 10 - 3354/3.6=2, 3355/2.1=2 HB2 LEU 58 - QB ALA 122 poor 5 48 - 10 - ~8096=2, 3355/2.1=1 HB2 LYS 119 - QB ALA 98 lone 5 100 - 5 - 3.0/6272=1 HB2 GLU 28 - QB ALA 98 lone 4 89 - 4 - HB2 ARG 81 - QB ALA 89 lone 4 47 - 8 - 4.0/7659=3, 3.0/7435=2, 8536=2 HB3 GLU 28 - QB ALA 98 lone 4 89 - 4 - HG LEU 84 - QB ALA 89 lone 4 66 - 6 - 2.1/7668=1 HB2 LYS 119 - QB ALA 89 lone 3 66 - 5 - HB3 GLU 73 - QB ALA 98 lone 3 73 - 5 - 8536=1 HB3 LYS 109 - QB ALA 98 lone 3 81 - 4 - HB2 LEU 84 - QB ALA 89 lone 3 54 - 5 - HG LEU 55 - QB ALA 89 lone 3 66 - 4 - HB VAL 50 - QB ALA 89 lone 2 66 - 4 - HB ILE 22 - QB ALA 89 lone 2 45 - 5 - HB ILE 22 - QB ALA 98 lone 2 78 - 3 - HB2 LEU 58 - QB ALA 98 lone 2 92 - 3 - HB VAL 50 - QB ALA 122 lone 2 58 - 4 - ~8097=1 HB3 LYS 31 - QB ALA 98 lone 2 100 - 2 - HG LEU 55 - QB ALA 98 lone 2 100 - 2 - HB2 ARG 81 - QB ALA 122 lone 2 40 - 5 - 4.0/7659=1, 3.0/7435=1 HB3 LYS 31 - QB ALA 122 lone 2 58 - 3 - ~1803=1 HB2 ARG 92 - QB ALA 98 lone 2 97 - 2 - HG LEU 55 - QB ALA 122 lone 1 58 - 2 - HG LEU 84 - QB ALA 122 lone 1 58 - 2 - HB2 GLU 28 - QB ALA 89 lone 1 53 - 2 - HB3 MET 11 - QB ALA 98 lone 1 60 - 2 - 4.1/7692=1 HB3 GLU 73 - QB ALA 89 lone 1 41 - 3 - HB3 LYS 31 - QB ALA 89 lone 1 66 - 2 - HG3 PRO 68 - QB ALA 98 lone 1 89 - 1 - HB2 LEU 84 - QB ALA 122 lone 1 47 - 2 - HG3 PRO 68 - QB ALA 89 lone 1 53 - 2 - HB ILE 22 - QB ALA 122 lone 1 39 - 2 - HB3 GLU 28 - QB ALA 89 lone 1 53 - 1 - HB3 LYS 109 - QB ALA 89 lone 1 47 - 1 - HB2 GLU 28 - QB ALA 122 lone 1 46 - 1 - HB3 LYS 109 - QB ALA 122 lone 0 40 - 1 - HB2 ARG 92 - QB ALA 122 lone 0 53 - 1 - HB3 GLU 28 - QB ALA 122 lone 0 46 - 1 - HB3 GLU 73 - QB ALA 122 lone 0 36 - 1 - HG3 PRO 68 - QB ALA 122 lone 0 46 - 1 - HB3 MET 11 - QB ALA 89 lone 0 33 - 1 - HB3 MET 11 - QB ALA 122 lone 0 28 - 1 - Peak 7665 from cnoeabs.peaks (1.26, 1.42, 18.97 ppm; 2.93 A): 3 out of 24 assignments used, quality = 0.77: QG2 ILE 80 + QB ALA 98 OK 49 99 - 50 - 7400=12, 7671/2.1=8...(15) QD1 ILE 80 + QB ALA 98 OK 45 98 - 46 - 8342=8, 7671/2.1=7...(19) HG LEU 77 + QB ALA 98 OK 18 68 - 27 - 2.1/7667=12, ~7341=4...(6) QG2 ILE 80 - QB ALA 89 poor 8 63 - 13 - 7400=3, 4.4/7659=2...(4) QD1 ILE 80 - QB ALA 89 poor 7 63 - 11 - 8342=2, 3.2/7400=1 QG2 THR 116 - QB ALA 98 lone 5 97 - 5 - HG13 ILE 124 - QB ALA 98 lone 5 83 - 6 - 7671/2.1=1 QG2 ILE 80 - QB ALA 122 lone 4 55 - 8 - 7400=2 HG3 LYS 32 - QB ALA 98 lone 3 100 - 3 - QD1 ILE 80 - QB ALA 122 lone 3 54 - 6 - 8342=1 QG2 THR 19 - QB ALA 98 lone 3 100 - 3 - HG13 ILE 124 - QB ALA 122 lone 3 42 - 6 - ~8106=3, 4.9/8107=2 QG2 THR 116 - QB ALA 122 lone 2 54 - 4 - QG2 THR 116 - QB ALA 89 lone 2 62 - 3 - HG LEU 54 - QB ALA 98 lone 2 76 - 2 - QG2 THR 19 - QB ALA 89 lone 1 66 - 2 - QG2 THR 19 - QB ALA 122 lone 1 58 - 2 - HG LEU 77 - QB ALA 89 lone 1 38 - 2 - 2.1/7667=1 HG LEU 77 - QB ALA 122 lone 1 33 - 2 - HG13 ILE 124 - QB ALA 89 lone 1 48 - 1 - HG3 LYS 32 - QB ALA 89 lone 0 66 - 1 - HG3 LYS 32 - QB ALA 122 lone 0 58 - 1 - HG LEU 54 - QB ALA 89 lone 0 43 - 1 - HG LEU 54 - QB ALA 122 lone 0 37 - 1 - Peak 7666 from cnoeabs.peaks (0.74, 1.42, 18.97 ppm; 3.33 A): 5 out of 21 assignments used, quality = 0.79: QD1 LEU 84 + QB ALA 98 OK 42 98 - 43 - 7482/2.9=10, 2.1/7668=9...(12) QD1 LEU 91 + QB ALA 89 OK 24 65 - 37 - 4410=5, 2.1/4403=5...(15) QD2 LEU 111 + QB ALA 98 OK 24 99 - 24 - 7661/2.9=4, 7662/2.1=3...(11) HG LEU 111 + QB ALA 98 OK 24 96 - 25 - 7661/2.9=4, 7662/2.1=3...(11) QD1 LEU 91 + QB ALA 98 OK 19 100 - 19 - 4410=3, 7661/2.9=3...(7) QD2 LEU 93 - QB ALA 89 poor 8 54 - 16 - 7569/3.6=3, ~8528=2...(4) QG2 ILE 63 - QB ALA 98 lone 8 78 - 10 - 7661/2.9=1, 7662/2.1=1 QD1 LEU 114 - QB ALA 98 lone 8 92 - 8 - 7661/2.9=1 QD1 LEU 114 - QB ALA 89 poor 7 56 - 13 - ~5084=1, 1358/2.9=1...(4) QD2 LEU 93 - QB ALA 98 lone 7 90 - 7 - 7661/2.9=1 QD1 LEU 84 - QB ALA 89 lone 5 63 - 8 - QG2 ILE 63 - QB ALA 89 lone 4 45 - 10 - 7123/2.9=2, 7145/2.1=1 HG LEU 111 - QB ALA 89 lone 4 59 - 6 - 7569/3.6=1 QD2 LEU 111 - QB ALA 89 lone 4 65 - 5 - 7569/3.6=1 QD1 LEU 91 - QB ALA 122 lone 3 57 - 5 - QD2 LEU 111 - QB ALA 122 lone 2 56 - 4 - HG LEU 111 - QB ALA 122 lone 2 52 - 4 - QD1 LEU 84 - QB ALA 122 lone 1 54 - 2 - QD2 LEU 93 - QB ALA 122 lone 1 47 - 2 - QD1 LEU 114 - QB ALA 122 lone 1 48 - 2 - QG2 ILE 63 - QB ALA 122 lone 1 39 - 1 - Peak 7667 from cnoeabs.peaks (0.56, 1.42, 18.97 ppm; 3.32 A): 3 out of 12 assignments used, quality = 0.62: QD2 LEU 77 + QB ALA 98 OK 46 99 - 47 - 7345=16, 7341/3.5=10...(10) QG1 VAL 50 + QB ALA 98 OK 19 100 - 19 - 7674/3.5=4, 7677/4.5=4...(5) QD2 LEU 45 + QB ALA 98 OK 12 97 - 12 - 7677/4.5=2, 7674/3.5=2 HG12 ILE 34 - QB ALA 98 lone 5 92 - 6 - QD2 LEU 77 - QB ALA 89 lone 4 64 - 6 - 7345=2 QD2 LEU 77 - QB ALA 122 lone 3 56 - 5 - 7345=2 QG1 VAL 50 - QB ALA 89 lone 3 66 - 4 - QG1 VAL 50 - QB ALA 122 lone 2 58 - 4 - ~8097=1 QD2 LEU 45 - QB ALA 89 lone 2 61 - 3 - QD2 LEU 45 - QB ALA 122 lone 1 53 - 2 - HG12 ILE 34 - QB ALA 89 lone 1 56 - 1 - HG12 ILE 34 - QB ALA 122 lone 0 48 - 1 - Peak 7668 from cnoeabs.peaks (0.12, 1.42, 18.97 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.71: QD2 LEU 84 + QB ALA 98 OK 57 87 - 66 - ~7482=12, ~7661=11...(18) QG1 VAL 110 + QB ALA 98 OK 31 87 - 36 - 3.2/8360=6, 7881/2.1=5...(10) QG1 VAL 110 - QB ALA 89 poor 9 51 - 17 - 7557/2.9=3, ~6217=2...(6) QD2 LEU 84 - QB ALA 89 poor 6 51 - 12 - 7557/2.9=2, 2.1/7666=1 QG1 VAL 110 - QB ALA 122 lone 4 44 - 10 - ~627=2, ~1402=1 QD2 LEU 84 - QB ALA 122 lone 2 44 - 4 - Peak 7669 from cnoeabs.peaks (0.57, 4.13, 56.52 ppm; 5.01 A): 5 out of 12 assignments used, quality = 0.81: QD2 LEU 77 + HA ALA 98 OK 54 100 - 55 - 7341/3.6=24, 7667/2.1=22...(8) QG1 VAL 50 + HA ALA 98 OK 29 98 - 30 - 7674/3.6=9, 7667/2.1=9...(7) QG1 VAL 50 + HA ASN 108 OK 23 95 - 23 - 3057/3.0=6, ~3062=4...(5) QD2 LEU 45 + HA ALA 98 OK 15 81 - 19 - 7667/2.1=6, 7674/3.6=5 QD2 LEU 77 + HA ASN 108 OK 11 98 - 12 - 7341/5824=2, 7667/4612=1 HG12 ILE 34 - HA ALA 98 poor 8 71 - 11 - 7667/2.1=2, 2.1/6643=2...(4) QD2 LEU 77 - HA ARG 57 lone 5 64 - 8 - 7346/3.0=1 QD2 LEU 45 - HA ARG 57 poor 5 45 - 11 - ~7034=2, ~7036=1, ~7032=1 QD2 LEU 45 - HA ASN 108 lone 4 77 - 6 - HG12 ILE 34 - HA ASN 108 lone 3 67 - 5 - 2.1/6643=1 QG1 VAL 50 - HA ARG 57 lone 2 60 - 3 - HG12 ILE 34 - HA ARG 57 lone 2 38 - 5 - 3.2/6642=2 Peak 7670 from cnoeabs.peaks (0.14, 4.13, 56.52 ppm; 5.04 A): 4 out of 9 assignments used, quality = 0.91: QD2 LEU 84 + HA ALA 98 OK 68 99 - 69 - ~7482=14, ~7661=12...(18) QG1 VAL 110 + HA ALA 98 OK 48 99 - 48 - 7881=8, 4.3/6198=6...(16) QG1 VAL 110 + HA ASN 108 OK 36 97 - 37 - 4.3/6198=8, 4.0/6197=7...(8) QD2 LEU 51 + HA ALA 98 OK 20 95 - 21 - 3097/2.1=3, ~3104=2...(7) QG1 VAL 110 - HA ARG 57 OK 19 62 - 30 - 7865/3.0=6, 5878/3.6=5...(10) QD2 LEU 51 - HA ARG 57 OK 16 56 - 29 - ~7032=6, ~5610=5...(9) QD2 LEU 84 - HA ASN 108 OK 15 97 - 16 - 7491=2, 2.1/7488=1...(4) QD2 LEU 51 - HA ASN 108 lone 7 91 - 7 - QD2 LEU 84 - HA ARG 57 lone 5 62 - 8 - 7491=1 Peak 7671 from cnoeabs.peaks (1.26, 4.13, 56.52 ppm; 3.21 A): 2 out of 21 assignments used, quality = 0.71: QG2 ILE 80 + HA ALA 98 OK 50 100 - 50 - 7410=14, 7665/2.1=10...(13) QD1 ILE 80 + HA ALA 98 OK 43 100 - 43 - 7665/2.1=9, 3.2/7410=7...(13) QG2 ILE 80 - HA ASN 108 lone 10 98 - 10 - 7410=3, 7393/4.3=1 QD1 ILE 80 - HA ASN 108 lone 8 98 - 8 - 3.2/7410=1, 7398/4.3=1 HG LEU 54 - HA ARG 57 poor 8 49 - 16 - ~7033=5, ~6976=3...(5) HG13 ILE 124 - HA ALA 98 lone 7 71 - 10 - 5363=1, 2.1/5370=1...(6) QG2 THR 116 - HA ALA 98 lone 6 100 - 6 - 7665/2.1=1 HG13 ILE 124 - HA ASN 108 lone 4 67 - 6 - 5363=1, 2.1/5370=1 HG3 LYS 32 - HA ALA 98 lone 4 100 - 4 - QG2 THR 116 - HA ARG 57 lone 4 63 - 6 - 7981/3.0=3 QG2 ILE 80 - HA ARG 57 lone 4 64 - 6 - 7410=1 QG2 THR 19 - HA ALA 98 lone 4 99 - 4 - QD1 ILE 80 - HA ARG 57 lone 3 63 - 5 - QG2 THR 116 - HA ASN 108 lone 2 98 - 2 - HG13 ILE 124 - HA ARG 57 lone 2 38 - 5 - HG3 LYS 32 - HA ASN 108 lone 2 98 - 2 - HG LEU 54 - HA ALA 98 lone 2 87 - 2 - QG2 THR 19 - HA ASN 108 lone 2 97 - 2 - HG3 LYS 32 - HA ARG 57 lone 1 63 - 2 - QG2 THR 19 - HA ARG 57 lone 1 62 - 1 - HG LEU 54 - HA ASN 108 lone 1 83 - 1 - Peak 7677 from cnoeabs.peaks (0.57, 4.56, 56.07 ppm; 3.67 A): 3 out of 4 assignments used, quality = 0.82: QD2 LEU 77 + HA ASN 99 OK 67 100 - 67 - 7352=22, 7341/3.0=14...(14) QG1 VAL 50 + HA ASN 99 OK 33 100 - 33 - 6926=6, 2.1/6924=6...(10) QD2 LEU 45 + HA ASN 99 OK 21 90 - 24 - 6926=3, 7680/3.0=3...(9) HG12 ILE 34 - HA ASN 99 lone 7 83 - 8 - 7742/6180=1, 7667/4.5=1 Peak 7678 from cnoeabs.peaks (1.97, 2.72, 38.26 ppm; 4.64 A): 4 out of 19 assignments used, quality = 0.48: HG LEU 45 + HB3 ASN 99 OK 22 100 - 22 - 2.1/7680=6, ~7677=4...(6) HB3 GLN 103 + HB3 ASN 99 OK 16 97 - 17 - ~7773=5, ~7774=5, ~7775=5 HB2 MET 11 + HB3 ASN 99 OK 11 95 - 12 - 4.1/5828=6, 8594/4.6=5 HB2 LEU 41 + HB3 ASN 99 OK 11 97 - 11 - 6759/3.5=2, ~6763=2...(5) HB ILE 124 - HB3 ASN 99 lone 4 97 - 4 - HB2 ARG 85 - HB3 ASN 99 lone 3 71 - 4 - HB3 ARG 85 - HB3 ASN 99 lone 3 71 - 4 - HB3 GLU 69 - HB3 ASN 99 lone 3 60 - 4 - HB2 LYS 46 - HB3 ASN 99 lone 2 71 - 3 - HB3 GLU 94 - HB3 ASN 99 lone 2 85 - 2 - 3.0/8533=1 HG LEU 114 - HB3 ASN 99 lone 2 99 - 2 - HB2 GLU 94 - HB3 ASN 99 lone 2 71 - 3 - 3.0/8533=1 HG2 PRO 68 - HB3 ASN 99 lone 2 99 - 2 - HB3 LYS 119 - HB3 ASN 99 lone 2 60 - 3 - HB3 PRO 68 - HB3 ASN 99 lone 2 97 - 2 - HB2 ARG 71 - HB3 ASN 99 lone 2 100 - 2 - HB3 PRO 30 - HB3 ASN 99 lone 1 71 - 2 - HG2 PRO 60 - HB3 ASN 99 lone 1 83 - 1 - HB2 LEU 55 - HB3 ASN 99 lone 1 63 - 1 - Peak 7679 from cnoeabs.peaks (1.43, 2.72, 38.26 ppm; 5.15 A): 6 out of 13 assignments used, quality = 0.91: QB ALA 98 + HB3 ASN 99 OK 80 99 - 80 - 3.5/4626=36, ~4620=20...(12) HB3 LEU 45 + HB3 ASN 99 OK 23 81 - 28 - 3.0/7678=9, 3.1/7680=6...(7) HB3 GLU 75 + HB3 ASN 99 OK 18 81 - 23 - ~7683=3, ~7681=3...(8) HB3 LEU 101 + HB3 ASN 99 OK 12 97 - 13 - 7692/4.6=4, 488/4.1=4 HD3 LYS 65 + HB3 ASN 99 OK 10 93 - 11 - HD2 LYS 65 + HB3 ASN 99 OK 10 93 - 11 - HG LEU 24 - HB3 ASN 99 lone 8 81 - 10 - ~5491=3, ~5488=2, ~6477=2 QB ALA 122 - HB3 ASN 99 lone 5 90 - 5 - 488/4.1=1, ~626=1 HB3 LEU 91 - HB3 ASN 99 lone 5 100 - 5 - 488/4.1=2 HB2 LEU 51 - HB3 ASN 99 lone 4 98 - 4 - 488/4.1=1 QB ALA 89 - HB3 ASN 99 lone 4 97 - 4 - 5825/4.1=1 HD2 LYS 46 - HB3 ASN 99 lone 3 60 - 5 - HG LEU 59 - HB3 ASN 99 lone 1 65 - 2 - Peak 7680 from cnoeabs.peaks (0.57, 2.72, 38.26 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.88: QD2 LEU 77 + HB3 ASN 99 OK 74 100 - 74 - 7677/3.0=23, 7341/4.1=22...(10) QG1 VAL 50 + HB3 ASN 99 OK 36 100 - 36 - 7677/3.0=11, 7674/4.1=8...(6) QD2 LEU 45 + HB3 ASN 99 OK 27 90 - 30 - 2.1/7678=10, 7677/3.0=7...(5) HG12 ILE 34 - HB3 ASN 99 lone 6 83 - 8 - 7677/3.0=2, 7674/4.1=1 Peak 7686 from cnoeabs.peaks (7.26, 2.89, 39.63 ppm; 4.63 A): 5 out of 12 assignments used, quality = 0.85: QD PHE 96 + HB2 ASP 100 OK 46 90 - 51 - 4819/1.8=16, ~8416=15...(7) QE PHE 96 + HB2 ASP 100 OK 42 97 - 44 - ~4819=12, ~7687=12...(7) QD PHE 96 + HB2 PHE 40 OK 25 88 - 28 - 4715/6743=4, ~2775=3...(13) QE PHE 96 + HB2 PHE 40 OK 20 95 - 21 - ~4570=4, ~8132=4...(5) HE ARG 57 + HB2 ASP 100 OK 19 99 - 19 - 7687/1.8=6, 2.9/4639=3...(6) H VAL 26 - HB2 ASP 100 lone 5 99 - 5 - 7687/1.8=1, 7685/3.8=1 H VAL 26 - HB2 PHE 40 lone 4 98 - 4 - 6497/1.8=2 HE ARG 57 - HB2 PHE 40 lone 4 98 - 4 - HE ARG 71 - HB2 ASP 100 lone 2 100 - 2 - HD1 TRP 20 - HB2 ASP 100 lone 2 60 - 4 - 7685/3.8=1 HD1 TRP 20 - HB2 PHE 40 lone 1 58 - 2 - HE ARG 71 - HB2 PHE 40 lone 1 99 - 1 - Peak 7687 from cnoeabs.peaks (7.27, 3.12, 39.63 ppm; 4.69 A): 4 out of 7 assignments used, quality = 0.89: QD PHE 96 + HB3 ASP 100 OK 72 100 - 72 - 4819=22, 2.4/8416=20...(12) QE PHE 96 + HB3 ASP 100 OK 36 68 - 53 - 2.2/4819=17, 4.4/8416=15...(10) HE ARG 57 + HB3 ASP 100 OK 29 99 - 30 - 8548=5, 7686/1.8=4...(11) HZ PHE 40 + HB3 ASP 100 OK 15 78 - 19 - 5.8/4642=5, ~2747=5...(5) H VAL 26 - HB3 ASP 100 lone 6 78 - 7 - 7685/3.8=1 HD1 TRP 20 - HB3 ASP 100 lone 4 93 - 4 - 7685/3.8=2 HE ARG 71 - HB3 ASP 100 lone 3 89 - 3 - Peak 7688 from cnoeabs.peaks (9.20, 3.12, 39.63 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.76: H ASP 97 + HB3 ASP 100 OK 58 100 - 58 - 7653/3.8=20, 4.3/8416=16...(6) H ALA 98 + HB3 ASP 100 OK 43 100 - 43 - 4.6/7646=12, 4.6/7645=12...(8) Peak 7689 from cnoeabs.peaks (8.09, 4.35, 57.81 ppm; 4.03 A): 3 out of 6 assignments used, quality = 0.65: H GLN 105 + HA ASP 100 OK 55 100 - 55 - 4.0/7695=13, 4.6/7690=13...(12) HD22 ASN 79 + HA ASP 100 OK 14 85 - 16 - ~8145=3, 3.5/6104=3...(6) H SER 78 + HA ASP 100 OK 11 92 - 12 - 1655=4, 4.6/1662=3, 4.5/363=2 H GLY 39 - HA ASP 100 lone 10 99 - 10 - 4.6/936=4 H THR 33 - HA ASP 100 lone 4 95 - 4 - H LEU 24 - HA ASP 100 lone 3 100 - 3 - Peak 7690 from cnoeabs.peaks (8.65, 4.35, 57.81 ppm; 3.93 A): 2 out of 5 assignments used, quality = 0.68: H ASN 106 + HA ASP 100 OK 58 93 - 63 - 4.1/7695=12, 4.6/7689=11...(13) H ASN 12 + HA ASP 100 OK 24 78 - 31 - 10=6, 4.6/4632=5...(11) H VAL 120 - HA ASP 100 lone 6 100 - 6 - H LEU 117 - HA ASP 100 lone 5 95 - 5 - 594=1 H LEU 59 - HA ASP 100 lone 1 85 - 1 - Peak 7693 from cnoeabs.peaks (2.73, 4.35, 57.81 ppm; 4.33 A): 3 out of 4 assignments used, quality = 0.86: HB3 ASN 106 + HA ASP 100 OK 56 95 - 59 - 3.9/7690=18, 7806=11...(12) HB3 ASN 108 + HA ASP 100 OK 47 98 - 48 - 8149/3.0=17, 7806=8...(12) HB3 ASN 99 + HA ASP 100 OK 41 96 - 43 - 5828/2.9=21, ~5827=12...(7) HB2 ASP 123 - HA ASP 100 lone 2 83 - 2 - Peak 7695 from cnoeabs.peaks (1.81, 4.35, 57.81 ppm; 3.56 A): 2 out of 14 assignments used, quality = 0.63: HB3 GLN 105 + HA ASP 100 OK 56 99 - 56 - 1.8/7696=13, 4.1/7690=11...(10) HB3 ARG 57 + HA ASP 100 OK 18 100 - 18 - 1.8/7696=4, 3.5/4635=3...(4) HG LEU 41 - HA ASP 100 poor 10 81 - 12 - 2.1/6756=3, 2.1/6757=2...(4) HB2 PRO 37 - HA ASP 100 lone 5 71 - 8 - ~5998=2 HG3 ARG 53 - HA ASP 100 lone 5 90 - 5 - HB2 GLU 69 - HA ASP 100 lone 4 78 - 5 - HG13 ILE 63 - HA ASP 100 lone 3 98 - 4 - HB2 PRO 60 - HA ASP 100 lone 3 99 - 3 - HB2 LYS 32 - HA ASP 100 lone 2 71 - 3 - HG2 GLU 75 - HA ASP 100 lone 2 100 - 2 - HB3 GLU 56 - HA ASP 100 lone 1 85 - 2 - HB3 ARG 92 - HA ASP 100 lone 1 100 - 1 - HG2 GLU 73 - HA ASP 100 lone 1 65 - 1 - HG3 GLU 73 - HA ASP 100 lone 1 63 - 1 - Peak 7696 from cnoeabs.peaks (2.08, 4.35, 57.81 ppm; 3.94 A): 4 out of 16 assignments used, quality = 0.82: HB2 GLN 105 + HA ASP 100 OK 68 100 - 68 - 1.8/7695=21, 4.1/7690=14...(12) HB2 ARG 57 + HA ASP 100 OK 24 100 - 24 - 1.8/7695=7, 3.5/4635=3...(7) HG LEU 21 + HA ASP 100 OK 18 99 - 18 - 2119/2.9=4, ~2133=2...(8) HB2 LEU 101 + HA ASP 100 OK 11 71 - 16 - 1273/3.6=9, 4.6/1731=3, ~7692=3 HB3 GLU 38 - HA ASP 100 lone 6 92 - 7 - 4.4/7689=2, 6726/3.6=1 HB3 GLN 16 - HA ASP 100 lone 5 100 - 5 - HB2 GLN 16 - HA ASP 100 lone 5 100 - 5 - HB3 PRO 70 - HA ASP 100 lone 5 60 - 9 - 1273/3.6=3, 8319=1, 1.8/8320=1 HB ILE 63 - HA ASP 100 lone 4 97 - 5 - 3.0/7695=1 HG3 GLU 69 - HA ASP 100 lone 4 90 - 5 - 3.0/7695=1 HB2 GLU 15 - HA ASP 100 lone 4 96 - 4 - 1273/3.6=1 HB3 ARG 81 - HA ASP 100 lone 4 76 - 5 - HG3 PRO 37 - HA ASP 100 lone 3 71 - 5 - 2.3/7695=2 HB2 LEU 114 - HA ASP 100 lone 3 99 - 3 - HG3 PRO 60 - HA ASP 100 lone 2 60 - 3 - 2.3/7695=1 HG2 GLU 64 - HA ASP 100 lone 1 100 - 1 - Peak 7697 from cnoeabs.peaks (2.27, 4.35, 57.81 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.77: HG3 GLN 105 + HA ASP 100 OK 52 99 - 53 - 3.0/7695=17, 3.0/7696=12...(10) HG2 GLN 105 + HA ASP 100 OK 52 99 - 53 - 3.0/7695=17, 3.0/7696=12...(10) HB VAL 120 - HA ASP 100 lone 3 76 - 4 - 3.8/7690=2 HG2 GLN 16 - HA ASP 100 lone 3 57 - 5 - HG3 GLU 15 - HA ASP 100 lone 2 73 - 3 - HG3 GLU 94 - HA ASP 100 lone 1 99 - 1 - HB2 CYS 87 - HA ASP 100 lone 1 99 - 1 - HG2 GLU 56 - HA ASP 100 lone 1 60 - 2 - Peak 7700 from cnoeabs.peaks (0.01, 4.49, 56.48 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.86: QG2 VAL 110 + HA LEU 101 OK 86 100 - 86 - 7698/3.0=27, 7709/4.0=24...(15) Peak 7701 from cnoeabs.peaks (4.02, 0.99, 22.75 ppm; 4.82 A): 6 out of 7 assignments used, quality = 0.89: HA PHE 107 + QD1 LEU 101 OK 54 90 - 60 - 3.7/8152=23...(13) HA TYR 102 + QD1 LEU 101 OK 47 73 - 63 - ~505=13, 2.9/504=13...(14) HA GLN 16 + QD1 LEU 101 OK 21 97 - 22 - 8447/2.1=2, 3.0/5836=2...(8) HA ALA 14 + QD1 LEU 101 OK 18 100 - 18 - 4615/8152=2, 7868/7709=2...(4) HA LYS 109 + QD1 LEU 101 OK 16 57 - 29 - 3.0/7724=12, 3.6/7722=6...(5) HD3 PRO 37 + QD1 LEU 101 OK 14 81 - 17 - 3.6/8253=4, 1279/4.9=3...(5) HA THR 62 - QD1 LEU 101 lone 4 63 - 7 - Peak 7702 from cnoeabs.peaks (3.63, 0.99, 22.75 ppm; 3.60 A): 4 out of 7 assignments used, quality = 0.87: HA ILE 80 + QD1 LEU 101 OK 54 100 - 54 - 7716/2.1=9, 3.2/7706=9...(17) HA LYS 46 + QD1 LEU 101 OK 51 100 - 51 - 6859=15, 2.9/7721=13...(10) HD2 PRO 70 + QD1 LEU 101 OK 28 76 - 37 - 7716/2.1=6, 3.0/4674=5...(16) HA LEU 41 + QD1 LEU 101 OK 18 98 - 18 - 3.0/7704=2, 8259/8152=2...(5) HA VAL 115 - QD1 LEU 101 lone 8 89 - 10 - 7716/2.1=2 HA LEU 111 - QD1 LEU 101 poor 8 65 - 13 - 7916/7708=2, 3.0/8445=2 HA2 GLY 39 - QD1 LEU 101 lone 4 57 - 7 - 3.6/5836=2, 7716/2.1=1 Peak 7703 from cnoeabs.peaks (3.20, 0.99, 22.75 ppm; 4.59 A): 6 out of 7 assignments used, quality = 0.91: HA GLN 42 + QD1 LEU 101 OK 64 90 - 71 - 5.5/7723=19, 6787=16...(24) HD3 ARG 71 + QD1 LEU 101 OK 33 97 - 34 - 2.9/8744=4, 3.6/7704=4...(14) HD2 ARG 71 + QD1 LEU 101 OK 26 73 - 35 - 2.9/8744=4, 3.6/7704=4...(15) HD2 ARG 53 + QD1 LEU 101 OK 23 81 - 28 - 3.0/4670=3, ~3152=3...(12) HB3 PHE 83 + QD1 LEU 101 OK 19 96 - 20 - 4.5/5836=3, 2.5/8743=3...(6) HD2 ARG 81 + QD1 LEU 101 OK 15 100 - 15 - 2.9/8152=3, 4813/8152=3...(4) HB3 TRP 20 - QD1 LEU 101 poor 8 65 - 12 - 6.4/7721=2, 3.9/8744=1...(4) Peak 7704 from cnoeabs.peaks (1.98, 0.99, 22.75 ppm; 4.35 A): 4 out of 14 assignments used, quality = 0.94: HG LEU 45 + QD1 LEU 101 OK 71 99 - 71 - 2.1/8154=17, ~8153=13...(21) HB2 LYS 46 + QD1 LEU 101 OK 47 83 - 57 - 4.0/7721=14, 3.0/6859=11...(16) HB ILE 124 + QD1 LEU 101 OK 40 100 - 40 - ~8121=9, 4.0/7725=7...(17) HB2 ARG 71 + QD1 LEU 101 OK 39 100 - 39 - 3.0/4673=5, 3.6/7703=5...(17) HB2 LEU 41 - QD1 LEU 101 OK 30 100 - 30 - 3.0/7702=4, 6760/4.7=3...(8) HG LEU 114 - QD1 LEU 101 OK 23 100 - 24 - ~7713=5, 7232/7708=3...(7) HB3 GLN 103 - QD1 LEU 101 OK 16 100 - 16 - 4.4/7724=8, 4.6/7721=2 HB2 LEU 55 - QD1 LEU 101 poor 9 76 - 11 - 3.0/8292=2, ~7713=1 HB2 GLU 94 - QD1 LEU 101 lone 7 83 - 8 - 4.0/7614=3, 4.7/1246=2 HB3 GLU 94 - QD1 LEU 101 lone 6 73 - 8 - 4.0/7614=3, 4.7/1246=2 HG2 PRO 68 - QD1 LEU 101 lone 6 100 - 5 - HG2 PRO 60 - QD1 LEU 101 lone 5 92 - 5 - HB3 PRO 68 - QD1 LEU 101 lone 4 100 - 4 - HB2 MET 11 - QD1 LEU 101 lone 4 99 - 4 - Peak 7705 from cnoeabs.peaks (1.75, 0.99, 22.75 ppm; 3.46 A): 4 out of 17 assignments used, quality = 0.93: HB2 LEU 45 + QD1 LEU 101 OK 61 99 - 61 - 6839=10, 1.8/6840=9...(21) HG2 GLN 42 + QD1 LEU 101 OK 49 95 - 52 - 3.5/7723=17, 3.9/6787=7...(16) HB3 LYS 46 + QD1 LEU 101 OK 43 100 - 43 - 4.0/7721=9, 3.0/6859=8...(14) HB2 LEU 91 + QD1 LEU 101 OK 42 96 - 44 - ~8364=5, 8362/2.1=5...(20) HG3 PRO 30 - QD1 LEU 101 OK 26 89 - 29 - 3.8/4673=3, 1.8/4676=3...(12) HG2 ARG 71 - QD1 LEU 101 OK 25 100 - 25 - 3.0/7703=3, 4.0/4673=3...(9) HG3 ARG 71 - QD1 LEU 101 OK 24 97 - 25 - 3.0/7703=3, 4.0/4673=3...(8) HB3 ARG 71 - QD1 LEU 101 OK 22 87 - 26 - 3.0/4673=4, 1.8/7704=3...(9) HB2 ARG 53 - QD1 LEU 101 OK 20 100 - 20 - 3133/2.1=2, 3.6/7703=2...(7) HB2 LYS 31 - QD1 LEU 101 OK 16 78 - 21 - 2.9/8445=2, 4.0/5836=2...(5) HD2 LYS 109 - QD1 LEU 101 lone 8 90 - 9 - 6.2/7724=3 HD3 LYS 109 - QD1 LEU 101 lone 8 85 - 9 - 6.2/7724=3 HB2 GLU 75 - QD1 LEU 101 poor 7 60 - 12 - ~7315=1, 1.8/4675=1...(4) HG LEU 117 - QD1 LEU 101 lone 6 90 - 7 - HB VAL 66 - QD1 LEU 101 lone 5 100 - 5 - 4.0/309=1 HB2 LEU 117 - QD1 LEU 101 lone 4 65 - 6 - HB3 LEU 55 - QD1 LEU 101 lone 4 60 - 6 - 3.0/8292=1 Peak 7706 from cnoeabs.peaks (1.27, 0.99, 22.75 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.92: QG2 ILE 80 + QD1 LEU 101 OK 73 99 - 73 - 7401/2.1=14, 3.2/7702=9...(31) QD1 ILE 80 + QD1 LEU 101 OK 72 99 - 72 - 7418/2.1=14, ~8444=9...(26) HG3 LYS 32 - QD1 LEU 101 OK 23 93 - 24 - 7714/2.1=4, 7730/3.1=2...(10) QG2 THR 116 - QD1 LEU 101 OK 19 100 - 19 - 7987/2.1=7, 7730/3.1=2...(6) QG2 THR 19 - QD1 LEU 101 OK 14 89 - 16 - 8421/4.0=3, 7714/2.1=2...(8) HG LEU 54 - QD1 LEU 101 lone 9 99 - 9 - 2.1/6986=3, 7714/2.1=1 Peak 7707 from cnoeabs.peaks (0.63, 0.99, 22.75 ppm; 3.61 A): 5 out of 5 assignments used, quality = 0.95: QD1 LEU 51 + QD1 LEU 101 OK 58 100 - 58 - 7710/2.1=13, 2.1/7708=8...(22) QD1 LEU 45 + QD1 LEU 101 OK 49 83 - 60 - 2.1/8154=12, ~8153=9...(22) QG2 VAL 26 + QD1 LEU 101 OK 43 100 - 43 - 7710/2.1=10, ~7710=7...(10) QG1 VAL 26 + QD1 LEU 101 OK 41 95 - 43 - 7710/2.1=10, ~7710=7...(11) QD1 LEU 21 + QD1 LEU 101 OK 28 60 - 48 - 3.1/4678=5, 2.1/4674=5...(20) Peak 7708 from cnoeabs.peaks (0.13, 0.99, 22.75 ppm; 3.19 A): 3 out of 3 assignments used, quality = 0.90: QG1 VAL 110 + QD1 LEU 101 OK 79 99 - 80 - 2.1/7709=30, 7873=20...(18) QD2 LEU 84 + QD1 LEU 101 OK 31 99 - 32 - 7486=7, 7711/2.1=4...(11) QD2 LEU 51 + QD1 LEU 101 OK 30 63 - 47 - 7711/2.1=8, 2.1/7707=7...(18) Peak 7709 from cnoeabs.peaks (0.00, 0.99, 22.75 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.81: QG2 VAL 110 + QD1 LEU 101 OK 81 99 - 82 - 7712/2.1=22, 2.1/7708=20...(19) Peak 7710 from cnoeabs.peaks (0.61, 1.03, 27.12 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.73: QD1 LEU 51 + QD2 LEU 101 OK 42 96 - 44 - 2.1/7711=8, 7707/2.1=6...(16) QG1 VAL 26 + QD2 LEU 101 OK 32 100 - 32 - 2.1/8212=6, 2.1/8444=5...(11) QG2 VAL 26 + QD2 LEU 101 OK 31 92 - 34 - 8212=6, 2.1/8444=5...(11) Peak 7711 from cnoeabs.peaks (0.14, 1.03, 27.12 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.94: QG1 VAL 110 + QD2 LEU 101 OK 83 100 - 83 - 2.1/7712=29, ~7709=22...(17) QD2 LEU 51 + QD2 LEU 101 OK 52 87 - 61 - 2.1/7710=16, 7708/2.1=8...(24) QD2 LEU 84 + QD2 LEU 101 OK 29 100 - 29 - 7708/2.1=8, 7699/4.7=3...(10) Peak 7712 from cnoeabs.peaks (0.01, 1.03, 27.12 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 110 + QD2 LEU 101 OK 92 100 - 92 - 7709/2.1=41, 7700/4.0=26...(15) Peak 7713 from cnoeabs.peaks (0.85, 1.03, 27.12 ppm; 4.32 A): 5 out of 9 assignments used, quality = 0.83: HG13 ILE 80 + QD2 LEU 101 OK 61 81 - 76 - 1.8/8444=20, 2.1/7418=16...(20) QD2 LEU 114 + QD2 LEU 101 OK 31 100 - 31 - 7948/7726=5, 7874/7711=3...(10) QD1 LEU 93 + QD2 LEU 101 OK 24 85 - 28 - 4.7/7726=6, ~8445=2...(10) QD1 LEU 59 + QD2 LEU 101 OK 10 99 - 10 - QG1 VAL 115 + QD2 LEU 101 OK 10 87 - 12 - 3.2/7716=2, ~7702=1 HG13 ILE 22 - QD2 LEU 101 poor 10 97 - 10 - 5.0/68=3, 1.8/8477=1 QD2 LEU 55 - QD2 LEU 101 lone 10 100 - 10 - HB2 ASN 118 - QD2 LEU 101 lone 3 68 - 5 - QD2 LEU 126 - QD2 LEU 101 lone 3 73 - 4 - Peak 7714 from cnoeabs.peaks (1.26, 1.03, 27.12 ppm; 3.06 A): 6 out of 7 assignments used, quality = 0.93: QG2 ILE 80 + QD2 LEU 101 OK 64 100 - 64 - 7401=14, 7706/2.1=8...(24) QD1 ILE 80 + QD2 LEU 101 OK 63 100 - 64 - 7418=15, 2.1/8444=9...(20) QG2 THR 116 + QD2 LEU 101 OK 18 100 - 18 - 7987=7, 7706/2.1=2...(4) HG3 LYS 32 + QD2 LEU 101 OK 18 100 - 18 - 7706/2.1=2, 7730/3.1=2...(7) HG13 ILE 124 + QD2 LEU 101 OK 15 71 - 22 - 2.1/8121=8, 4.9/7728=3...(8) QG2 THR 19 + QD2 LEU 101 OK 10 99 - 10 - 8421/4.0=2, 7706/2.1=2 HG LEU 54 - QD2 LEU 101 lone 6 87 - 7 - ~6986=1 Peak 7715 from cnoeabs.peaks (1.95, 1.03, 27.12 ppm; 4.33 A): 5 out of 15 assignments used, quality = 0.96: HB ILE 80 + QD2 LEU 101 OK 54 71 - 77 - 2.1/7401=17, 3.0/8444=16...(18) HB3 PRO 30 + QD2 LEU 101 OK 52 100 - 52 - 8034=7, 2.3/4680=5...(23) HB2 LEU 21 + QD2 LEU 101 OK 50 81 - 63 - 3.1/2136=7, 3.1/2129=7...(23) HG LEU 45 + QD2 LEU 101 OK 49 73 - 67 - 2.1/8153=20, ~8154=11...(21) HB3 LYS 119 + QD2 LEU 101 OK 37 100 - 37 - 1.8/8031=7, 8034=6...(8) HB2 ARG 71 - QD2 LEU 101 OK 20 68 - 29 - 3.0/4680=4, ~4673=3...(15) HG LEU 58 - QD2 LEU 101 OK 20 92 - 21 - 2.1/4684=2, 2.1/4684=2...(7) HB3 GLU 69 - QD2 LEU 101 OK 17 100 - 17 - 4.8/7716=5, 3.0/8444=2...(4) HB2 LYS 109 - QD2 LEU 101 OK 16 97 - 17 - 8450/7712=11, ~7701=2 HB2 GLU 64 - QD2 LEU 101 lone 6 97 - 7 - 4.6/7727=3 HB3 ARG 85 - QD2 LEU 101 lone 6 100 - 6 - 6725/4.7=1 HB2 ARG 85 - QD2 LEU 101 lone 6 100 - 6 - 6725/4.7=1 HB3 GLU 64 - QD2 LEU 101 lone 6 96 - 7 - 4.6/7727=3 HB2 GLU 38 - QD2 LEU 101 lone 5 99 - 5 - HB3 GLU 94 - QD2 LEU 101 lone 3 99 - 3 - Peak 7716 from cnoeabs.peaks (3.62, 1.03, 27.12 ppm; 4.03 A): 6 out of 7 assignments used, quality = 0.94: HA ILE 80 + QD2 LEU 101 OK 68 95 - 72 - 3.2/7401=13, 7422=12...(22) HA LYS 46 + QD2 LEU 101 OK 48 93 - 51 - 6859/2.1=11, ~7721=10...(16) HD2 PRO 70 + QD2 LEU 101 OK 43 96 - 45 - 7702/2.1=6, 3.0/4681=6...(16) HA LEU 111 + QD2 LEU 101 OK 13 90 - 15 - 7916/7711=3, 7702/2.1=2...(5) HA LEU 41 + QD2 LEU 101 OK 12 83 - 15 - 7702/2.1=4, ~7704=2...(4) HA VAL 115 + QD2 LEU 101 OK 12 99 - 12 - 7702/2.1=2, 3.2/7713=2 HA2 GLY 39 - QD2 LEU 101 lone 8 85 - 9 - 3.6/5837=2, 6014/2.1=1, ~6734=1 Peak 7717 from cnoeabs.peaks (4.14, 1.03, 27.12 ppm; 5.08 A): 10 out of 12 assignments used, quality = 0.94: HA ILE 124 + QD2 LEU 101 OK 53 100 - 53 - 4.2/8121=14, 3.0/7728=11...(18) HA ALA 98 + QD2 LEU 101 OK 37 100 - 37 - 1729/4.7=7, 6173/3.1=5...(15) HA ARG 57 + QD2 LEU 101 OK 24 73 - 33 - ~7031=4, ~7037=4...(12) HA PRO 37 + QD2 LEU 101 OK 24 100 - 24 - 8253/2.1=6, 5997/4.9=4...(6) HA ASN 108 + QD2 LEU 101 OK 22 100 - 22 - 1729/4.7=6, 4.3/4679=3...(6) HB2 SER 113 + QD2 LEU 101 OK 21 92 - 23 - 7931/2.1=5, 7934/7711=4...(6) HA PHE 83 + QD2 LEU 101 OK 19 97 - 20 - 3.6/5837=4, ~7703=3...(7) HA GLU 28 + QD2 LEU 101 OK 16 83 - 19 - 3.0/5837=4, ~5836=3...(7) HA3 GLY 25 + QD2 LEU 101 OK 12 73 - 16 - 3.6/6493=11 HA ILE 63 + QD2 LEU 101 OK 11 100 - 11 - 1729/4.7=2, 1734/4.9=1 HB3 SER 78 - QD2 LEU 101 lone 6 97 - 7 - HB3 SER 72 - QD2 LEU 101 lone 3 100 - 3 - Peak 7718 from cnoeabs.peaks (7.24, 2.10, 42.21 ppm; 5.17 A): 4 out of 7 assignments used, quality = 0.96: QE PHE 96 + HB2 LEU 101 OK 81 98 - 83 - ~7726=19, ~4729=15...(17) QD TYR 102 + HB2 LEU 101 OK 43 95 - 46 - 4.5/501=14, 7727/3.1=8...(9) QE PHE 40 + HB2 LEU 101 OK 38 90 - 42 - 7727/3.1=7, 7720/1.8=6...(13) H LYS 65 + HB2 LEU 101 OK 31 78 - 40 - 7727/3.1=5, 7719/3.0=5...(14) H VAL 26 - HB2 LEU 101 OK 27 95 - 28 - 6493/3.1=11, 7720/1.8=6...(7) HE ARG 71 - HB2 LEU 101 OK 19 87 - 22 - ~7703=4, 7720/1.8=4...(9) HE ARG 57 - HB2 LEU 101 poor 8 65 - 13 - 7720/1.8=2, 8744/3.1=2...(4) Peak 7719 from cnoeabs.peaks (7.22, 4.49, 56.48 ppm; 4.72 A): 5 out of 5 assignments used, quality = 0.88: QD TYR 102 + HA LEU 101 OK 44 99 - 45 - 1283/3.6=15, 4.7/1735=13...(9) QD PHE 107 + HA LEU 101 OK 43 65 - 66 - 4772=16, 4812/7700=12...(14) H LYS 65 + HA LEU 101 OK 34 100 - 34 - 1283/3.6=5, 1084/4.0=4...(13) QE PHE 40 + HA LEU 101 OK 27 100 - 27 - 1283/3.6=6, 7727/4.0=4...(9) QD TYR 67 + HA LEU 101 OK 22 92 - 24 - 8152/4.0=3, 4689/3.0=3...(10) Peak 7720 from cnoeabs.peaks (7.24, 1.44, 42.21 ppm; 4.91 A): 4 out of 7 assignments used, quality = 0.94: QE PHE 96 + HB3 LEU 101 OK 79 100 - 79 - ~7726=17, 4704/4.0=14...(16) QD TYR 102 + HB3 LEU 101 OK 38 87 - 44 - 1283/4.6=11, 7727/3.1=7...(9) H VAL 26 + HB3 LEU 101 OK 33 99 - 33 - 6493/3.1=11, 6495=5...(10) QE PHE 40 + HB3 LEU 101 OK 31 81 - 39 - 7727/3.1=6, 7718/1.8=6...(13) H LYS 65 - HB3 LEU 101 OK 24 65 - 37 - 7718/1.8=5, 7727/3.1=4...(14) HE ARG 71 - HB3 LEU 101 OK 20 95 - 21 - ~7703=3, 8744/3.1=3...(9) HE ARG 57 - HB3 LEU 101 poor 10 78 - 13 - 8744/3.1=2, 7718/1.8=1 Peak 7721 from cnoeabs.peaks (6.89, 0.99, 22.75 ppm; 4.27 A): 3 out of 4 assignments used, quality = 0.76: H LYS 46 + QD1 LEU 101 OK 61 99 - 62 - 6858=14, 2.9/6859=11...(16) QE TYR 102 + QD1 LEU 101 OK 28 83 - 33 - 2.2/4746=6, ~7727=5...(10) HZ3 TRP 20 + QD1 LEU 101 OK 13 100 - 13 - 2.4/4662=3, 4.3/4652=2 HE22 GLN 103 - QD1 LEU 101 lone 7 99 - 7 - 4.6/7704=1 Peak 7722 from cnoeabs.peaks (6.76, 0.99, 22.75 ppm; 3.87 A): 5 out of 6 assignments used, quality = 0.93: HZ PHE 107 + QD1 LEU 101 OK 59 99 - 59 - 3.8/8152=16, 2.2/4672=14...(16) HE21 GLN 42 + QD1 LEU 101 OK 55 100 - 55 - 1.7/7723=29, 6789=9...(11) H LEU 27 + QD1 LEU 101 OK 38 100 - 38 - 4.1/7707=5, 877=4...(15) H VAL 110 + QD1 LEU 101 OK 31 63 - 50 - 4.0/7709=25, 4.0/7708=15...(6) QE TYR 67 + QD1 LEU 101 OK 13 65 - 19 - 2.2/8152=6, 4700=2...(7) HD22 ASN 99 - QD1 LEU 101 lone 8 100 - 8 - 4620/8152=1 Peak 7723 from cnoeabs.peaks (6.63, 0.99, 22.75 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.50: HE22 GLN 42 + QD1 LEU 101 OK 50 97 - 51 - 6792=16, 1.7/7722=12...(10) Peak 7724 from cnoeabs.peaks (7.47, 0.99, 22.75 ppm; 4.77 A): 3 out of 3 assignments used, quality = 0.74: H GLY 104 + QD1 LEU 101 OK 43 100 - 43 - 8568/4.0=14...(7) H LYS 109 + QD1 LEU 101 OK 39 100 - 39 - 8451/7709=17, 549/4.7=6...(8) H ALA 43 + QD1 LEU 101 OK 26 83 - 32 - 3.6/6787=13, 6783/7723=4...(8) Peak 7725 from cnoeabs.peaks (7.78, 0.99, 22.75 ppm; 4.52 A): 3 out of 3 assignments used, quality = 0.84: H LEU 45 + QD1 LEU 101 OK 66 99 - 67 - 4.5/7721=14, 6837=13...(14) H ILE 124 + QD1 LEU 101 OK 37 100 - 37 - 7728/2.1=11, ~7717=4...(12) H GLY 48 + QD1 LEU 101 OK 26 97 - 27 - 6879/2.1=13, 190/7721=2...(5) Peak 7726 from cnoeabs.peaks (7.08, 1.03, 27.12 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.79: HZ PHE 96 + QD2 LEU 101 OK 71 100 - 71 - 4729=24, 8743/2.1=14...(21) H LEU 93 + QD2 LEU 101 OK 27 98 - 28 - 8743/2.1=8, 7597/4.0=4...(7) HE ARG 92 - QD2 LEU 101 lone 4 73 - 5 - 8743/2.1=1 HD2 HIS 10 - QD2 LEU 101 lone 0 65 - 1 - Peak 7727 from cnoeabs.peaks (7.23, 1.03, 27.12 ppm; 3.78 A): 6 out of 6 assignments used, quality = 0.91: QE PHE 96 + QD2 LEU 101 OK 62 93 - 66 - 2.2/7726=22, ~8743=8...(17) QD TYR 102 + QD2 LEU 101 OK 33 99 - 34 - 4.5/505=9, 4746/2.1=5...(9) H VAL 26 + QD2 LEU 101 OK 32 87 - 37 - 4.0/7710=8, 4.0/7710=8...(8) QE PHE 40 + QD2 LEU 101 OK 28 97 - 29 - 4680/2.1=3, ~4670=3...(13) H LYS 65 + QD2 LEU 101 OK 22 89 - 24 - 1084/2.1=4, 7719/4.0=3...(11) HE ARG 71 + QD2 LEU 101 OK 12 76 - 15 - ~7703=2, 3.6/8247=2...(9) Peak 7728 from cnoeabs.peaks (7.78, 1.03, 27.12 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.82: H LEU 45 + QD2 LEU 101 OK 51 99 - 51 - 7725/2.1=21, 4.7/8153=14...(10) H ILE 124 + QD2 LEU 101 OK 41 100 - 41 - 7725/2.1=12, 4.7/8121=11...(10) H GLY 48 + QD2 LEU 101 OK 37 97 - 38 - 6879=17, 7725/2.1=8...(10) Peak 7730 from cnoeabs.peaks (1.27, 2.10, 42.21 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.98: QG2 ILE 80 + HB2 LEU 101 OK 86 100 - 87 - 7401/3.1=16, 8514=16...(28) QD1 ILE 80 + HB2 LEU 101 OK 84 100 - 84 - 7418/3.1=15, 7398/4.0=14...(23) HG3 LYS 32 - HB2 LEU 101 OK 34 98 - 34 - 7706/3.1=4, 7731/1.8=4...(17) QG2 THR 116 - HB2 LEU 101 OK 24 100 - 24 - 7987/3.1=7, 7706/3.1=4...(7) QG2 THR 19 - HB2 LEU 101 OK 22 96 - 23 - 8421/3.0=6, 7731/1.8=3...(7) HG LEU 54 - HB2 LEU 101 OK 11 95 - 12 - ~6986=2, 7706/3.1=2...(6) Peak 7731 from cnoeabs.peaks (1.26, 1.44, 42.21 ppm; 4.80 A): 2 out of 8 assignments used, quality = 0.98: QG2 ILE 80 + HB3 LEU 101 OK 87 99 - 88 - 7401/3.1=16, 8514/1.8=14...(30) QD1 ILE 80 + HB3 LEU 101 OK 85 98 - 87 - 7418/3.1=15, 7398/4.0=14...(26) HG3 LYS 32 - HB3 LEU 101 OK 36 100 - 36 - 7730/1.8=5, 7714/3.1=4...(17) HG13 ILE 124 - HB3 LEU 101 OK 30 83 - 36 - ~8121=12, 3.0/8113=4...(12) QG2 THR 116 - HB3 LEU 101 OK 28 97 - 28 - 7987/3.1=7, 7730/1.8=4...(8) QG2 THR 19 - HB3 LEU 101 OK 24 100 - 24 - 8421/3.0=6, 7730/1.8=3...(7) HG LEU 77 - HB3 LEU 101 poor 10 68 - 14 - ~8154=4, ~8153=3...(4) HG LEU 54 - HB3 LEU 101 poor 9 76 - 12 - ~6986=2, 7730/1.8=2...(6) Peak 7732 from cnoeabs.peaks (0.01, 2.10, 42.21 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.98: QG2 VAL 110 + HB2 LEU 101 OK 98 100 - 98 - 7700/3.0=43, 7709/3.1=43...(16) Peak 7733 from cnoeabs.peaks (0.03, 1.44, 42.21 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.87: QG2 VAL 110 + HB3 LEU 101 OK 87 90 - 96 - 7700/3.0=37, 7712/3.1=34...(15) Peak 7734 from cnoeabs.peaks (0.02, 1.62, 27.50 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.94: QG2 VAL 110 + HG LEU 101 OK 94 96 - 98 - 7712/2.1=46, 7733/3.0=38...(12) QG2 VAL 110 + HG2 ARG 53 OK 11 90 - 12 - 7712/4671=2, 7871/3.0=1...(5) QG2 VAL 110 - HB3 GLN 42 poor 7 40 - 17 - 4985/4.4=2, 4799/7819=2...(9) Peak 7737 from cnoeabs.peaks (1.32, 4.05, 62.54 ppm; 3.61 A): 4 out of 9 assignments used, quality = 0.75: HG2 LYS 46 + HA TYR 102 OK 42 99 - 43 - 4820/3.7=8, 3.9/7746=8...(10) HG3 LYS 46 + HA TYR 102 OK 42 99 - 43 - 4820/3.7=8, 3.9/7746=8...(10) HG3 LYS 119 + HA TYR 102 OK 15 100 - 15 - 3.0/7748=4, 3.0/7748=4...(4) QG2 THR 17 + HA TYR 102 OK 11 99 - 11 - 6341=2, 8469/6664=2 QB ALA 43 - HA TYR 102 lone 9 97 - 10 - 4820/3.7=1, 6811=1, 6814/5.7=1 HB3 LEU 84 - HA TYR 102 lone 8 95 - 8 - 4246/2.9=1, 4.0/4686=1, ~4260=1 QG2 THR 23 - HA TYR 102 lone 2 99 - 2 - HB3 LEU 59 - HA TYR 102 lone 2 76 - 2 - HG CYS 87 - HA TYR 102 lone 1 97 - 1 - Peak 7738 from cnoeabs.peaks (1.25, 4.05, 62.54 ppm; 4.33 A): 3 out of 7 assignments used, quality = 0.93: QD1 ILE 80 + HA TYR 102 OK 62 85 - 73 - 7414/3.0=23, 7412=16...(14) HG LEU 77 + HA TYR 102 OK 61 90 - 67 - ~7350=17, ~7349=15...(11) QG2 ILE 80 + HA TYR 102 OK 55 87 - 63 - 3.2/7412=12, ~7414=11...(15) QG2 THR 19 - HA TYR 102 OK 27 99 - 27 - 6378=8, 2.1/5963=5...(9) HG3 LYS 32 - HA TYR 102 OK 18 97 - 18 - 2.9/7748=3, 2.9/7748=3...(7) QG2 THR 116 - HA TYR 102 OK 10 83 - 12 - 7736/2.9=2, 7767/3.6=1 HG13 ILE 124 - HA TYR 102 lone 9 97 - 9 - 3.0/7747=1, 8585/7746=1 Peak 7739 from cnoeabs.peaks (1.00, 4.05, 62.54 ppm; 4.89 A): 7 out of 9 assignments used, quality = 0.91: QD1 LEU 101 + HA TYR 102 OK 59 90 - 65 - ~505=13, 504/2.9=12...(16) HB3 LEU 27 + HA TYR 102 OK 32 100 - 32 - 4746/3.7=6, 5501/2.9=4...(12) QD1 LEU 58 + HA TYR 102 OK 27 100 - 27 - 7060=4, 4746/3.7=4...(9) QD2 LEU 58 + HA TYR 102 OK 24 99 - 25 - 2.1/7060=4, 504/2.9=3...(8) QG1 VAL 18 + HA TYR 102 OK 16 89 - 19 - ~8405=3, 504/2.9=3...(7) HG3 LYS 65 + HA TYR 102 OK 16 81 - 20 - 4.9/4691=4, 4746/3.7=4...(7) HG2 LYS 65 + HA TYR 102 OK 16 81 - 20 - 4.9/4691=4, 4746/3.7=4...(7) QG2 THR 95 - HA TYR 102 lone 6 65 - 9 - 504/2.9=2, ~1733=2...(5) QG1 VAL 120 - HA TYR 102 lone 5 60 - 8 - 505/2.9=3, 8048/7412=1 Peak 7740 from cnoeabs.peaks (0.57, 4.05, 62.54 ppm; 4.74 A): 3 out of 4 assignments used, quality = 0.95: QD2 LEU 77 + HA TYR 102 OK 87 100 - 87 - 7350/3.0=33, 7349/3.0=29...(12) QD2 LEU 45 + HA TYR 102 OK 39 90 - 43 - 4748/3.7=7, 7742/3.0=7...(12) QG1 VAL 50 + HA TYR 102 OK 34 100 - 34 - 7735/2.9=7, 7742/3.0=6...(7) HG12 ILE 34 - HA TYR 102 OK 27 83 - 33 - 7742/3.0=5, 7744/3.0=5...(9) Peak 7741 from cnoeabs.peaks (1.25, 3.04, 39.45 ppm; 4.68 A): 3 out of 8 assignments used, quality = 0.98: QD1 ILE 80 + HB2 TYR 102 OK 74 93 - 79 - 7414=35, 7397/2.5=18...(13) HG LEU 77 + HB2 TYR 102 OK 71 81 - 88 - 2.1/7350=37, ~7349=24...(15) QG2 ILE 80 + HB2 TYR 102 OK 69 95 - 73 - 3.2/7414=29, 4745/2.5=11...(14) QG2 THR 19 - HB2 TYR 102 OK 21 100 - 21 - 6378/3.0=6, 7743/1.8=3...(7) HG3 LYS 32 - HB2 TYR 102 OK 17 99 - 17 - 7736/4.0=3, 7738/3.0=3...(7) HG LEU 54 - HB2 TYR 102 OK 14 63 - 23 - ~8497=6, 7757/2.5=4...(9) HG13 ILE 124 - HB2 TYR 102 poor 10 92 - 10 - ~4825=1, 4760/4.4=1...(5) QG2 THR 116 - HB2 TYR 102 lone 9 92 - 10 - 7736/4.0=2, 7738/3.0=1...(5) Peak 7742 from cnoeabs.peaks (0.56, 3.04, 39.45 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 77 + HB2 TYR 102 OK 90 99 - 91 - 7350=39, 7349/1.8=32...(17) QD2 LEU 45 + HB2 TYR 102 OK 39 97 - 40 - 4748/2.5=9, 7744/1.8=8...(11) QG1 VAL 50 + HB2 TYR 102 OK 33 100 - 33 - 4748/2.5=7, 7744/1.8=6...(8) HG12 ILE 34 - HB2 TYR 102 OK 28 92 - 31 - 7744/1.8=6, 4748/2.5=5...(10) Peak 7743 from cnoeabs.peaks (1.26, 3.00, 39.45 ppm; 4.74 A): 3 out of 8 assignments used, quality = 0.97: QD1 ILE 80 + HB3 TYR 102 OK 78 98 - 80 - 7414/1.8=35, 7397/2.5=19...(13) QG2 ILE 80 + HB3 TYR 102 OK 71 99 - 72 - ~7414=20, 4745/2.5=11...(15) HG LEU 77 + HB3 TYR 102 OK 60 68 - 88 - 2.1/7349=31, ~7350=28...(16) QG2 THR 19 - HB3 TYR 102 OK 23 100 - 23 - 6378/3.0=6, 7741/1.8=3...(7) HG LEU 54 - HB3 TYR 102 OK 18 76 - 23 - ~8497=6, 7757/2.5=4...(9) HG3 LYS 32 - HB3 TYR 102 OK 17 100 - 17 - 7736/4.0=3, 7738/3.0=3...(7) QG2 THR 116 - HB3 TYR 102 OK 11 97 - 11 - 7736/4.0=2, 7757/2.5=2...(5) HG13 ILE 124 - HB3 TYR 102 poor 9 83 - 11 - ~4825=2, 4745/2.5=1...(5) Peak 7744 from cnoeabs.peaks (0.56, 3.00, 39.45 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.95: QD2 LEU 77 + HB3 TYR 102 OK 87 96 - 91 - 7350/1.8=37, 7349=31...(18) QD2 LEU 45 + HB3 TYR 102 OK 39 99 - 40 - 4748/2.5=9, 7742/1.8=8...(10) QG1 VAL 50 + HB3 TYR 102 OK 32 99 - 33 - 7742/1.8=7, 4748/2.5=7...(7) HG12 ILE 34 - HB3 TYR 102 OK 30 97 - 31 - 7742/1.8=6, 4748/2.5=5...(9) Peak 7745 from cnoeabs.peaks (2.53, 4.05, 62.54 ppm; 4.72 A): 5 out of 5 assignments used, quality = 0.94: HE3 LYS 46 + HA TYR 102 OK 67 100 - 67 - 4741/3.7=15, 8274=11...(13) HG3 GLN 103 + HA TYR 102 OK 57 92 - 62 - 4748/3.6=27, 7762/3.7=15...(7) HB3 ASP 36 + HA TYR 102 OK 42 92 - 46 - 6670=9, 4.0/5838=9...(11) HG2 GLU 82 + HA TYR 102 OK 13 90 - 15 - 7444/3.7=5, 1289/3.6=5 HE2 LYS 65 + HA TYR 102 OK 11 60 - 18 - 3.8/7739=2, 3.8/7739=2...(7) Peak 7746 from cnoeabs.peaks (3.64, 4.05, 62.54 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.80: HA LYS 46 + HA TYR 102 OK 61 99 - 62 - 6861=13, 6853/3.7=12...(11) HA ILE 80 + HA TYR 102 OK 40 99 - 41 - 4.1/7412=11, 3.2/7738=8...(8) HA LEU 41 + HA TYR 102 OK 13 100 - 13 - 3.0/7747=2, 8259/3.7=1, ~161=1 HA VAL 115 - HA TYR 102 poor 9 65 - 14 - 3.0/1770=2, 3.2/7974=2...(6) Peak 7747 from cnoeabs.peaks (1.98, 4.05, 62.54 ppm; 5.02 A): 8 out of 14 assignments used, quality = 0.95: HB2 LYS 46 + HA TYR 102 OK 64 90 - 71 - 3.0/7746=18, 2.9/7737=14...(12) HB3 GLN 103 + HA TYR 102 OK 54 100 - 54 - 1287/3.6=18, 3.0/7772=14...(7) HG LEU 45 + HA TYR 102 OK 33 97 - 34 - 2.1/7740=9, ~7735=5...(8) HB2 LEU 41 + HA TYR 102 OK 16 100 - 16 - 3.0/7746=4, 2785/7746=2...(5) HB2 MET 11 + HA TYR 102 OK 14 100 - 14 - 1287/3.6=4, ~1731=2...(4) HB2 LEU 55 + HA TYR 102 OK 14 85 - 16 - 3227=1, ~1279=1...(7) HB ILE 124 + HA TYR 102 OK 13 100 - 13 - ~1734=2, 3.0/7738=2...(4) HG LEU 114 + HA TYR 102 OK 11 100 - 11 - 1287/3.6=2, 4742/3.7=2 HB2 ARG 71 - HA TYR 102 lone 8 99 - 8 - ~500=2 HB3 PRO 68 - HA TYR 102 lone 6 100 - 6 - HG2 PRO 68 - HA TYR 102 lone 6 100 - 6 - HB2 GLU 94 - HA TYR 102 lone 5 90 - 6 - 1287/3.6=2 HG2 PRO 60 - HA TYR 102 lone 4 97 - 5 - HB3 GLU 94 - HA TYR 102 lone 3 63 - 4 - 1287/3.6=1 Peak 7748 from cnoeabs.peaks (1.58, 4.05, 62.54 ppm; 4.76 A): 0 out of 12 assignments used, low quality = 0.22: HD2 LYS 119 - HA TYR 102 OK 12 95 - 12 - 3.0/7737=5, 6860/7746=1, ~503=1 HD3 LYS 119 - HA TYR 102 OK 12 93 - 12 - 3.0/7737=5, 6860/7746=1, ~503=1 HD2 LYS 32 - HA TYR 102 poor 7 65 - 11 - 2.9/7738=3, ~7736=2...(5) HD3 LYS 32 - HA TYR 102 poor 7 65 - 11 - 2.9/7738=3, ~7736=2...(5) HG2 ARG 57 - HA TYR 102 lone 6 100 - 6 - 5.1/1637=1 HG3 ARG 81 - HA TYR 102 lone 3 100 - 3 - HG2 ARG 81 - HA TYR 102 lone 3 100 - 3 - HG2 ARG 53 - HA TYR 102 lone 2 65 - 3 - HG LEU 126 - HA TYR 102 lone 2 96 - 2 - HG12 ILE 63 - HA TYR 102 lone 2 85 - 2 - HB2 LEU 126 - HA TYR 102 lone 2 85 - 2 - HB3 LEU 126 - HA TYR 102 lone 2 83 - 2 - Peak 7749 from cnoeabs.peaks (2.82, 6.87, 117.91 ppm; 4.45 A): 2 out of 9 assignments used, quality = 0.80: HB2 CYS 76 + QE TYR 102 OK 77 98 - 79 - 7329=33, 1.8/4750=30...(9) HB2 ASN 99 + QE TYR 102 OK 16 76 - 22 - 3.0/4738=10, ~4739=8 HB2 ASP 36 - QE TYR 102 poor 10 76 - 13 - 1.8/4754=3, 6668/5.7=3...(4) HB2 ASN 79 - QE TYR 102 poor 9 71 - 13 - 3.0/4738=3, ~4739=2...(4) HB2 TYR 67 - QE TYR 102 lone 8 80 - 10 - 2.6/4709=2 HB3 TYR 67 - QE TYR 102 lone 8 80 - 10 - 2.6/4709=2 HB3 PHE 107 - QE TYR 102 lone 5 69 - 8 - 1.8/4750=3 HB2 ASN 108 - QE TYR 102 lone 1 64 - 2 - HB2 ASP 97 - QE TYR 102 lone 1 56 - 2 - Peak 7750 from cnoeabs.peaks (2.64, 6.87, 117.91 ppm; 4.50 A): 2 out of 3 assignments used, quality = 0.92: HE2 LYS 46 + QE TYR 102 OK 73 89 - 82 - 1.8/4754=20, 8580=20...(17) HG2 GLN 103 + QE TYR 102 OK 71 98 - 73 - 4740/2.2=25, 1.8/4754=15...(13) HB3 ASP 123 - QE TYR 102 lone 3 74 - 3 - Peak 7751 from cnoeabs.peaks (2.54, 6.87, 117.91 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.92: HE3 LYS 46 + QE TYR 102 OK 82 98 - 84 - 1.8/4753=23, 4741/2.2=18...(17) HG3 GLN 103 + QE TYR 102 OK 56 78 - 72 - 1.8/4753=22, ~4740=18...(10) HE2 LYS 65 - QE TYR 102 OK 19 69 - 28 - 8579=4, 5.0/4823=4...(11) HB3 ASP 36 - QE TYR 102 OK 15 94 - 16 - 4741/2.2=4, 1.8/4752=4...(4) HG2 GLU 82 - QE TYR 102 OK 13 76 - 17 - 7444/2.2=6, ~7445=4...(5) Peak 7752 from cnoeabs.peaks (1.83, 6.87, 117.91 ppm; 4.27 A): 5 out of 12 assignments used, quality = 0.86: HG2 GLU 73 + QE TYR 102 OK 51 95 - 53 - 4.1/7291=17, 7293=14...(10) HG3 GLU 73 + QE TYR 102 OK 50 94 - 53 - 4.1/7291=17, 7293=14...(10) HG2 GLU 75 + QE TYR 102 OK 26 84 - 31 - 1.8/4761=6, 7293=5...(9) HB2 GLU 69 + QE TYR 102 OK 13 97 - 13 - 3.0/7760=4, 1.8/4757=2...(4) HB3 ARG 57 + QE TYR 102 OK 11 82 - 14 - 3.5/4750=3, 4.2/4828=2...(4) HG LEU 41 - QE TYR 102 lone 6 98 - 6 - HG13 ILE 63 - QE TYR 102 lone 6 94 - 6 - ~7125=2, ~7130=2 HG12 ILE 22 - QE TYR 102 lone 4 84 - 5 - ~6425=2 HG3 ARG 53 - QE TYR 102 lone 4 97 - 4 - 3.0/4750=1 HB3 GLN 105 - QE TYR 102 lone 2 92 - 3 - HB2 PRO 60 - QE TYR 102 lone 1 61 - 2 - HB3 ARG 92 - QE TYR 102 lone 1 69 - 1 - Peak 7753 from cnoeabs.peaks (1.32, 6.87, 117.91 ppm; 4.47 A): 2 out of 9 assignments used, quality = 0.96: HG2 LYS 46 + QE TYR 102 OK 79 96 - 82 - 4820/2.2=16, 3.9/4753=15...(21) HG3 LYS 46 + QE TYR 102 OK 79 96 - 82 - 4820/2.2=16, 3.9/4753=15...(21) QB ALA 43 - QE TYR 102 OK 17 93 - 18 - 2.1/6812=4, 6814=3...(5) HG3 LYS 119 - QE TYR 102 OK 14 97 - 15 - 7737/5.7=2, 4820/2.2=2...(6) QG2 THR 17 - QE TYR 102 OK 11 96 - 11 - 6345=2, 4820/2.2=2, 7737/5.7=2 HB3 LEU 84 - QE TYR 102 lone 7 90 - 7 - ~8518=2, 7737/5.7=1 QG2 THR 23 - QE TYR 102 lone 6 96 - 6 - HB3 LEU 59 - QE TYR 102 lone 2 71 - 3 - HG CYS 87 - QE TYR 102 lone 2 94 - 2 - Peak 7754 from cnoeabs.peaks (1.26, 6.87, 117.91 ppm; 4.83 A): 3 out of 8 assignments used, quality = 0.95: QD1 ILE 80 + QE TYR 102 OK 73 94 - 78 - 7414/4.4=23, 7397/2.2=19...(15) QG2 ILE 80 + QE TYR 102 OK 61 95 - 64 - 3.2/4756=14, 3.2/7399=12...(13) HG LEU 77 + QE TYR 102 OK 52 64 - 82 - 2.1/4762=22, 2.1/4761=22...(13) HG LEU 54 - QE TYR 102 OK 27 71 - 37 - 2.1/6979=8, ~8497=6...(10) QG2 THR 19 - QE TYR 102 OK 15 98 - 15 - 6378/5.7=4, 7757/2.2=3...(5) HG3 LYS 32 - QE TYR 102 OK 14 98 - 14 - 7757/2.2=2, 7736/6.5=2...(6) HG13 ILE 124 - QE TYR 102 OK 10 78 - 13 - 1.8/4823=2, ~4825=2...(4) QG2 THR 116 - QE TYR 102 lone 9 94 - 10 - 7757/2.2=2, 7736/6.5=1 Peak 7755 from cnoeabs.peaks (0.68, 6.87, 117.91 ppm; 5.04 A): 5 out of 5 assignments used, quality = 0.93: QD1 LEU 77 + QE TYR 102 OK 80 97 - 82 - 4747/2.2=23, 2.1/4762=23...(12) HG3 GLU 75 + QE TYR 102 OK 30 80 - 37 - 1.8/4758=9, 4747/2.2=7...(11) QD2 LEU 54 + QE TYR 102 OK 29 71 - 40 - 2.1/6979=9, ~8497=7...(9) QG1 VAL 66 + QE TYR 102 OK 17 92 - 19 - 4747/2.2=5, ~7199=2...(5) QD2 LEU 24 + QE TYR 102 OK 15 76 - 19 - 4747/2.2=3, 3.1/4760=2...(6) Peak 7756 from cnoeabs.peaks (0.57, 6.87, 117.91 ppm; 5.06 A): 2 out of 4 assignments used, quality = 0.95: QD2 LEU 77 + QE TYR 102 OK 91 97 - 94 - 7350/4.4=28, 7337/2.2=27...(20) QD2 LEU 45 + QE TYR 102 OK 38 76 - 51 - 4748/2.2=10, 4.0/7760=7...(16) QG1 VAL 50 - QE TYR 102 OK 33 94 - 34 - 4748/2.2=8, 7742/4.4=5...(12) HG12 ILE 34 - QE TYR 102 OK 20 66 - 31 - 4748/2.2=6, ~6630=5...(7) Peak 7757 from cnoeabs.peaks (1.27, 7.22, 133.27 ppm; 5.32 A): 2 out of 7 assignments used, quality = 0.99: QD1 ILE 80 + QD TYR 102 OK 91 100 - 91 - 7414/2.5=36, 7396/4.7=21...(22) QG2 ILE 80 + QD TYR 102 OK 84 100 - 84 - ~7414=21, 3.2/7397=19...(20) HG LEU 54 - QD TYR 102 OK 39 90 - 44 - 2.1/8497=11, ~6979=7...(12) QG2 THR 19 - QD TYR 102 OK 25 98 - 25 - 6378/3.7=6, 7767/4.7=4...(6) HG3 LYS 32 - QD TYR 102 OK 22 99 - 22 - 7736/4.5=3, 7743/2.5=3...(8) QG2 THR 116 - QD TYR 102 OK 15 100 - 15 - 7736/4.5=3, 7767/4.7=2...(6) HG13 ILE 124 - QD TYR 102 OK 12 65 - 18 - 1.8/4825=3, ~4823=2...(8) Peak 7758 from cnoeabs.peaks (3.74, 6.87, 117.91 ppm; 4.84 A): 4 out of 10 assignments used, quality = 0.78: HA GLU 73 + QE TYR 102 OK 64 97 - 65 - 7291=37, 3.0/4756=15...(8) HA LEU 54 + QE TYR 102 OK 19 96 - 19 - 4.0/6979=6, 4.0/7755=4 HD2 PRO 30 + QE TYR 102 OK 16 64 - 25 - ~6584=5, 3.0/4757=4...(8) HA GLU 38 + QE TYR 102 OK 10 82 - 13 - 6083/4750=2, 6081/7329=2...(4) HA2 GLY 104 - QE TYR 102 lone 6 64 - 10 - ~7777=8 HA CYS 87 - QE TYR 102 lone 4 84 - 5 - HB3 SER 90 - QE TYR 102 lone 4 96 - 4 - HB3 SER 35 - QE TYR 102 lone 3 82 - 4 - HB3 SER 13 - QE TYR 102 lone 3 69 - 4 - HA3 GLY 86 - QE TYR 102 lone 2 80 - 2 - Peak 7759 from cnoeabs.peaks (3.12, 6.87, 117.91 ppm; 4.53 A): 2 out of 7 assignments used, quality = 0.74: HB3 CYS 76 + QE TYR 102 OK 70 97 - 73 - 7334=31, 1.8/7329=28...(7) HD3 ARG 57 + QE TYR 102 OK 11 96 - 11 - 3.5/4758=3, 2.9/4823=2 HD3 ARG 81 - QE TYR 102 lone 8 92 - 9 - 6082/7291=2, ~8559=1 HB2 PHE 107 - QE TYR 102 lone 7 96 - 8 - 1.8/4752=2, 3985/7329=1 HB3 CYS 52 - QE TYR 102 lone 6 98 - 6 - HD3 ARG 53 - QE TYR 102 lone 4 71 - 6 - HB3 ASP 100 - QE TYR 102 lone 4 98 - 4 - 3985/7329=1 Peak 7760 from cnoeabs.peaks (4.58, 6.87, 117.91 ppm; 5.09 A): 4 out of 6 assignments used, quality = 0.67: HA ASN 99 + QE TYR 102 OK 36 64 - 57 - 6180/4.4=18, 6182/4.4=17...(8) HA LEU 45 + QE TYR 102 OK 29 93 - 32 - 4.0/4762=8, 3.0/4824=4...(9) HA GLU 69 + QE TYR 102 OK 19 97 - 19 - 3.0/4758=3, 4739/2.2=3...(6) HA ASP 47 + QE TYR 102 OK 11 97 - 11 - 3.0/197=3, 4739/2.2=2 HA TRP 20 - QE TYR 102 lone 9 90 - 10 - 7331/7329=2, 5.1/8130=2 HB THR 121 - QE TYR 102 poor 8 74 - 11 - 4739/2.2=3, 4.0/4828=2 Peak 7761 from cnoeabs.peaks (7.22, 2.64, 33.36 ppm; 3.96 A): 3 out of 6 assignments used, quality = 0.91: QD TYR 102 + HG2 GLN 103 OK 82 100 - 82 - 4740=27, 7762/1.8=19...(14) H LYS 65 + HG2 GLN 103 OK 42 99 - 42 - 7762/1.8=12, 3.0/4741=5...(11) QE PHE 40 + HG2 GLN 103 OK 13 100 - 13 - 7762/1.8=3, 511/5.0=2...(5) QE PHE 96 - HG2 GLN 103 lone 6 73 - 8 - 7763/3.5=2, 7764/3.5=2...(4) QD TYR 67 - HG2 GLN 103 lone 5 81 - 6 - 7762/1.8=1 H VAL 26 - HG2 GLN 103 lone 3 63 - 4 - 7763/3.5=1 Peak 7762 from cnoeabs.peaks (7.22, 2.52, 33.36 ppm; 3.98 A): 3 out of 6 assignments used, quality = 0.93: QD TYR 102 + HG3 GLN 103 OK 82 100 - 82 - 4740/1.8=23, 4741=19...(15) H LYS 65 + HG3 GLN 103 OK 54 99 - 54 - 7163=15, 7761/1.8=10...(15) QE PHE 40 + HG3 GLN 103 OK 13 100 - 13 - 7761/1.8=3, 511/5.0=2...(5) QD TYR 67 - HG3 GLN 103 lone 6 81 - 7 - 7761/1.8=1 QE PHE 96 - HG3 GLN 103 lone 6 73 - 8 - 7763/3.5=2, 7764/3.5=2...(4) H VAL 26 - HG3 GLN 103 lone 3 63 - 5 - 7763/3.5=1 Peak 7766 from cnoeabs.peaks (8.07, 4.27, 54.96 ppm; 4.75 A): 4 out of 6 assignments used, quality = 0.69: H GLN 105 + HA GLN 103 OK 54 95 - 58 - 520/3.6=29, 7765/2.9=14...(8) H SER 78 + HA GLN 103 OK 16 100 - 15 - 1507/3.6=4, 7765/2.9=4...(4) H GLN 42 + HA GLN 103 OK 11 81 - 13 - 1451/3.6=6, 4.7/5843=2...(4) H THR 33 + HA GLN 103 OK 10 68 - 15 - 1507/3.6=4, 7765/2.9=4...(5) H GLY 39 - HA GLN 103 poor 8 81 - 10 - 1507/3.6=5, 7765/2.9=4 H LEU 24 - HA GLN 103 lone 5 95 - 5 - 1507/3.6=2, 7765/2.9=2 Peak 7771 from cnoeabs.peaks (3.86, 4.27, 54.96 ppm; 5.01 A): 7 out of 14 assignments used, quality = 0.84: HA3 GLY 104 + HA GLN 103 OK 63 99 - 63 - ~7769=21, ~512=21...(5) HB2 SER 35 + HA GLN 103 OK 17 99 - 17 - 4.5/4716=6, 7770/2.9=2...(6) HA THR 33 + HA GLN 103 OK 15 100 - 16 - 2.9/7766=3, 1294/3.6=3...(5) HA THR 19 + HA GLN 103 OK 13 83 - 16 - 7770/2.9=3, ~7767=2...(6) HA GLU 15 + HA GLN 103 OK 13 95 - 14 - 7770/2.9=3, 4.1/4718=3...(4) HB THR 33 + HA GLN 103 OK 11 100 - 11 - 4.0/7766=3, 1294/3.6=2...(4) HB3 ASN 79 + HA GLN 103 OK 10 81 - 13 - ~1738=3, 7374=2, ~7765=2...(5) HA LEU 77 - HA GLN 103 poor 10 71 - 14 - 7770/2.9=5, 3.6/7766=5 HB THR 95 - HA GLN 103 lone 5 65 - 8 - 4.1/466=2, ~1738=2...(4) HB2 SER 13 - HA GLN 103 lone 4 99 - 4 - 7770/2.9=1 HA LYS 119 - HA GLN 103 lone 3 57 - 6 - HB3 SER 112 - HA GLN 103 lone 3 63 - 4 - 3.0/7772=1 HB2 SER 112 - HA GLN 103 lone 2 57 - 4 - 3.0/7772=1 HA ARG 53 - HA GLN 103 lone 1 71 - 2 - Peak 7772 from cnoeabs.peaks (4.05, 4.27, 54.96 ppm; 4.75 A): 5 out of 8 assignments used, quality = 0.84: HA TYR 102 + HA GLN 103 OK 60 100 - 60 - ~1505=15, ~508=12...(10) HA LYS 109 + HA GLN 103 OK 41 100 - 41 - 3.0/5843=10, 4880/3.6=8...(9) HD3 PRO 37 + HA GLN 103 OK 16 100 - 16 - 4.8/4716=5, 507/2.9=4 HA LEU 55 + HA GLN 103 OK 11 98 - 11 - 507/2.9=3, 8639/5.4=1 HA GLN 16 + HA GLN 103 OK 11 92 - 11 - 507/2.9=2, 1939/3.0=1 HA SER 44 - HA GLN 103 lone 7 83 - 8 - 6819/5.4=2, 507/2.9=1...(4) HA SER 112 - HA GLN 103 lone 6 97 - 6 - 507/2.9=1 HA ALA 14 - HA GLN 103 lone 2 68 - 3 - Peak 7773 from cnoeabs.peaks (4.54, 2.37, 28.58 ppm; 4.19 A): 5 out of 14 assignments used, quality = 0.78: HA ASN 99 + HB2 GLN 103 OK 34 93 - 36 - 6184/4.0=19, 7774/3.0=8...(6) HA ASN 79 + HG2 PRO 70 OK 30 74 - 40 - ~7461=7, 6120=6, ~7255=6...(12) HA GLU 82 + HB2 GLN 103 OK 29 100 - 29 - 7775/3.0=9, 7774/3.0=8...(7) HA GLU 82 + HG2 PRO 70 OK 24 75 - 32 - ~3834=3, ~3830=3, 4162=3...(15) HA ASN 79 + HB2 GLN 103 OK 12 100 - 12 - 7775/3.0=3, 1738/4.0=3 HA THR 95 - HB2 GLN 103 lone 9 99 - 10 - 7774/3.0=2, 7775/3.0=2...(4) HA LEU 27 - HB2 GLN 103 lone 8 99 - 8 - 1738/4.0=2, 7774/3.0=2 HB THR 121 - HB2 GLN 103 lone 6 87 - 7 - 7774/3.0=2, 7775/3.0=2...(4) HA ASN 99 - HG2 PRO 70 lone 5 65 - 7 - HA THR 95 - HG2 PRO 70 lone 3 73 - 4 - HA LEU 27 - HG2 PRO 70 lone 2 72 - 3 - HB THR 121 - HG2 PRO 70 lone 1 59 - 2 - HB THR 23 - HB2 GLN 103 lone 1 63 - 1 - HB THR 23 - HG2 PRO 70 lone 0 40 - 1 - Peak 7774 from cnoeabs.peaks (4.54, 2.64, 33.36 ppm; 4.77 A): 4 out of 7 assignments used, quality = 0.70: HA GLU 82 + HG2 GLN 103 OK 40 99 - 40 - 7775/1.8=15, ~1174=7...(8) HA ASN 99 + HG2 GLN 103 OK 36 85 - 42 - 6184/5.0=18, 7775/1.8=11...(8) HA ASN 79 + HG2 GLN 103 OK 13 98 - 13 - 7775/1.8=5, 7773/3.0=3 HA LEU 27 + HG2 GLN 103 OK 12 100 - 12 - 7775/1.8=3, 1738/5.0=2...(4) HA THR 95 - HG2 GLN 103 poor 10 97 - 10 - 7775/1.8=3, 7773/3.0=2...(4) HB THR 121 - HG2 GLN 103 poor 8 76 - 10 - 7775/1.8=3, 5304/3.5=2...(5) HB THR 23 - HG2 GLN 103 lone 1 76 - 2 - Peak 7775 from cnoeabs.peaks (4.54, 2.52, 33.36 ppm; 4.80 A): 5 out of 7 assignments used, quality = 0.82: HA GLU 82 + HG3 GLN 103 OK 55 100 - 55 - 4164=15, 7774/1.8=13...(9) HA ASN 99 + HG3 GLN 103 OK 40 93 - 43 - 6184/5.0=20, 7774/1.8=12...(6) HA ASN 79 + HG3 GLN 103 OK 17 100 - 17 - 7774/1.8=4, 1738/5.0=3...(5) HA LEU 27 + HG3 GLN 103 OK 12 99 - 12 - 7774/1.8=4, 1738/5.0=2...(4) HA THR 95 + HG3 GLN 103 OK 11 99 - 11 - 7774/1.8=3, 7773/3.0=2...(4) HB THR 121 - HG3 GLN 103 poor 9 87 - 11 - 7774/1.8=3, 5304/3.5=2...(5) HB THR 23 - HG3 GLN 103 lone 1 63 - 2 - Peak 7782 from cnoeabs.peaks (2.89, 2.08, 29.98 ppm; 4.73 A): 4 out of 12 assignments used, quality = 0.87: HB2 ASP 100 + HB2 GLN 105 OK 60 100 - 60 - 3.0/7696=16, 7784/1.8=15...(12) HB2 ASN 106 + HB2 GLN 105 OK 56 95 - 59 - 3.9/525=18, 7784/1.8=12...(9) HB3 ASN 12 + HB2 GLN 105 OK 14 100 - 14 - 6285=4, 7784/1.8=3...(4) HB2 PHE 40 + HB2 GLN 105 OK 12 99 - 12 - 7784/1.8=3, 7783/4.0=3...(4) HB2 ASP 100 - HB3 ARG 81 lone 2 38 - 6 - HE2 LYS 119 - HB3 ARG 81 poor 2 21 - 11 - ~4109=1, ~4108=1 HE3 LYS 119 - HB3 ARG 81 poor 2 20 - 11 - ~4109=1, ~4108=1 HE2 LYS 119 - HB2 GLN 105 lone 2 68 - 3 - HB2 ASN 106 - HB3 ARG 81 lone 2 33 - 6 - 3.5/7793=1, 3.5/7797=1 HE3 LYS 119 - HB2 GLN 105 lone 2 65 - 3 - HB2 PHE 40 - HB3 ARG 81 lone 1 37 - 3 - HB3 ASN 12 - HB3 ARG 81 lone 1 38 - 2 - Peak 7784 from cnoeabs.peaks (2.89, 1.82, 29.98 ppm; 4.81 A): 4 out of 12 assignments used, quality = 0.86: HB2 ASP 100 + HB3 GLN 105 OK 64 100 - 64 - 3.0/7695=21, 7782/1.8=15...(13) HB2 ASN 106 + HB3 GLN 105 OK 50 99 - 51 - 3.9/526=19, 7782/1.8=14...(7) HB2 PHE 40 + HB3 GLN 105 OK 14 100 - 14 - 7783/4.0=3, 7782/1.8=3...(6) HB3 ASN 12 + HB3 GLN 105 OK 11 97 - 11 - 7782/1.8=4, ~6284=2...(4) HB2 ASN 106 - HB2 GLU 69 lone 7 89 - 8 - 3.9/5852=4 HB2 ASP 100 - HB2 GLU 69 lone 5 92 - 5 - 3.0/7695=1 HB3 ASN 12 - HB2 GLU 69 lone 4 87 - 4 - 6285/3.0=1 HB2 PHE 40 - HB2 GLU 69 lone 3 92 - 3 - HE2 LYS 32 - HB3 GLN 105 lone 2 63 - 4 - 7783/4.0=2 HE3 LYS 32 - HB3 GLN 105 lone 2 60 - 4 - 7783/4.0=2 HE2 LYS 32 - HB2 GLU 69 lone 1 52 - 2 - HE3 LYS 32 - HB2 GLU 69 lone 1 50 - 2 - Peak 7785 from cnoeabs.peaks (2.86, 2.28, 33.51 ppm; 4.91 A): 4 out of 30 assignments used, quality = 0.70: HB2 ASN 99 + HG2 GLN 105 OK 28 76 - 36 - 1.8/8533=17, ~8533=13...(4) HB2 ASN 99 + HG3 GLN 105 OK 28 76 - 36 - 1.8/8533=17, ~8533=13...(4) HB2 ASN 79 + HG2 GLN 105 OK 25 81 - 31 - 3.5/4794=3, ~4770=3...(14) HB2 ASN 79 + HG3 GLN 105 OK 25 81 - 31 - 3.5/4794=3, ~4770=3...(14) HB3 ASN 12 - HG2 GLN 105 lone 6 83 - 7 - 6285/3.0=3, ~6284=2 HB3 ASN 12 - HG3 GLN 105 lone 6 83 - 7 - 6285/3.0=3, ~6284=2 HE3 LYS 119 - HG2 GLN 105 lone 4 100 - 4 - HE2 LYS 119 - HG2 GLN 105 lone 4 100 - 4 - HE3 LYS 119 - HG3 GLN 105 lone 4 100 - 4 - HE2 LYS 119 - HG3 GLN 105 lone 4 100 - 4 - HB3 TYR 67 - HG3 GLN 105 lone 3 71 - 5 - HB2 TYR 67 - HG3 GLN 105 lone 3 71 - 5 - HB2 TYR 67 - HG2 GLN 105 lone 3 71 - 5 - HB3 TYR 67 - HG2 GLN 105 lone 3 71 - 5 - HB3 PHE 107 - HG3 GLN 105 lone 2 83 - 3 - HB3 PHE 107 - HG2 GLN 105 lone 2 83 - 3 - HB3 ASN 12 - HG2 GLN 16 lone 2 28 - 6 - ~8175=1, 6285/3.0=1...(4) HG CYS 52 - HG3 GLN 105 lone 2 96 - 2 - HG CYS 52 - HG2 GLN 105 lone 2 96 - 2 - HB2 ASP 36 - HG2 GLN 105 lone 1 76 - 1 - HB2 ASP 36 - HG3 GLN 105 lone 1 76 - 1 - HB3 PHE 107 - HG2 GLN 16 lone 1 28 - 2 - HB2 ASN 79 - HG2 GLN 16 lone 1 27 - 2 - HE2 LYS 119 - HG2 GLN 16 lone 1 40 - 1 - HE3 LYS 119 - HG2 GLN 16 lone 1 40 - 1 - HB2 ASP 36 - HG2 GLN 16 lone 0 25 - 2 - HB2 ASN 99 - HG2 GLN 16 lone 0 25 - 2 - HB3 TYR 67 - HG2 GLN 16 lone 0 23 - 2 - HB2 TYR 67 - HG2 GLN 16 lone 0 23 - 2 - HG CYS 52 - HG2 GLN 16 lone 0 35 - 1 - Peak 7787 from cnoeabs.peaks (1.87, 2.90, 37.18 ppm; 4.39 A): 2 out of 11 assignments used, quality = 0.83: HB3 LYS 109 + HB2 ASN 106 OK 81 99 - 81 - 2.9/7789=19, 7840=19...(12) HB2 LEU 58 + HB2 ASN 106 OK 12 100 - 12 - 7794/3.5=2, 7798/3.5=2...(6) HB2 LYS 119 - HB2 ASN 106 lone 8 95 - 8 - 4.7/4808=2, 5915/3.9=1 HB3 GLU 28 - HB2 ASN 106 lone 7 100 - 7 - 7794/3.5=1, 5507/3.9=1 HG12 ILE 22 - HB2 ASN 106 lone 4 76 - 6 - 7794/3.5=2, 7798/3.5=2 HG3 PRO 68 - HB2 ASN 106 lone 4 100 - 4 - HB3 LYS 31 - HB2 ASN 106 lone 3 95 - 4 - HB2 ARG 92 - HB2 ASN 106 lone 3 100 - 3 - HG LEU 55 - HB2 ASN 106 lone 3 96 - 3 - HB VAL 50 - HB2 ASN 106 lone 2 95 - 2 - HG LEU 84 - HB2 ASN 106 lone 2 90 - 2 - Peak 7788 from cnoeabs.peaks (1.76, 2.90, 37.18 ppm; 4.07 A): 4 out of 15 assignments used, quality = 0.94: HD2 LYS 109 + HB2 ASN 106 OK 72 99 - 73 - 3.0/7789=17, 3.9/7787=14...(13) HD3 LYS 109 + HB2 ASN 106 OK 71 98 - 73 - 3.0/7789=17, 3.9/7787=14...(13) HB2 ARG 53 + HB2 ASN 106 OK 12 92 - 13 - 5615/4.5=6, 4.4/5856=2 HB3 LYS 46 + HB2 ASN 106 OK 11 100 - 11 - 3.5/7789=2, 6856/3.5=1...(4) HG LEU 117 - HB2 ASN 106 lone 5 99 - 5 - HG2 GLN 42 - HB2 ASN 106 lone 5 100 - 5 - HB2 LEU 117 - HB2 ASN 106 lone 5 89 - 5 - 4.0/4808=1 HB2 LEU 45 - HB2 ASN 106 lone 4 100 - 4 - 2884/3.5=1 HG3 PRO 30 - HB2 ASN 106 lone 4 99 - 4 - HG3 ARG 71 - HB2 ASN 106 lone 2 100 - 2 - HG2 ARG 71 - HB2 ASN 106 lone 2 95 - 2 - HB2 GLU 75 - HB2 ASN 106 lone 2 85 - 2 - HB VAL 66 - HB2 ASN 106 lone 1 98 - 1 - HB2 LEU 91 - HB2 ASN 106 lone 1 78 - 1 - HB3 ARG 71 - HB2 ASN 106 lone 1 63 - 1 - Peak 7789 from cnoeabs.peaks (1.54, 2.90, 37.18 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.90: HG3 LYS 109 + HB2 ASN 106 OK 83 99 - 83 - 7842=22, 2.9/7787=19...(13) HB3 LYS 65 + HB2 ASN 106 OK 18 100 - 18 - 7800/3.5=3, 7792/1.8=3...(6) HB2 LYS 65 + HB2 ASN 106 OK 18 100 - 18 - 7800/3.5=3, 7792/1.8=3...(6) HD3 LYS 46 + HB2 ASN 106 OK 13 92 - 14 - 7800/3.5=2, 4905/7787=2...(7) HG12 ILE 124 - HB2 ASN 106 lone 8 98 - 8 - 7800/3.5=2, 7796/3.5=2 Peak 7790 from cnoeabs.peaks (1.85, 2.72, 37.18 ppm; 4.62 A): 4 out of 22 assignments used, quality = 0.87: HB3 LYS 109 + HB3 ASN 106 OK 73 93 - 78 - 7787/1.8=17, 7798/3.5=17...(11) HB3 LYS 109 + HB3 ASN 108 OK 40 82 - 48 - 4900/4.6=16, 7841=11...(13) HG3 ARG 53 + HB3 ASN 106 OK 10 76 - 14 - 5618/4.5=6, ~7803=2...(5) HG LEU 41 + HB3 ASN 108 OK 10 75 - 13 - 6766/3.5=3, ~6767=3...(5) HB2 LEU 58 - HB3 ASN 106 poor 9 83 - 11 - 7787/1.8=2, 7798/3.5=2...(4) HB2 LEU 58 - HB3 ASN 108 poor 8 71 - 11 - 1325/4.6=6 HB3 GLU 28 - HB3 ASN 106 lone 7 87 - 8 - 7787/1.8=2, 7798/3.5=2...(4) HG12 ILE 22 - HB3 ASN 106 lone 6 100 - 6 - 7794/3.5=2, 7798/3.5=2 HB2 GLU 69 - HB3 ASN 106 lone 5 89 - 6 - 5852/3.9=2, 7798/3.5=1 HB3 GLU 28 - HB3 ASN 108 lone 4 75 - 5 - HG3 PRO 68 - HB3 ASN 106 lone 3 87 - 4 - HB2 ARG 92 - HB3 ASN 108 lone 3 62 - 5 - HB2 ARG 92 - HB3 ASN 106 lone 3 73 - 4 - HG LEU 41 - HB3 ASN 106 lone 2 87 - 3 - HG3 GLU 73 - HB3 ASN 106 lone 2 97 - 2 - HG2 GLU 73 - HB3 ASN 106 lone 2 96 - 2 - HG3 ARG 53 - HB3 ASN 108 lone 2 65 - 3 - HG12 ILE 22 - HB3 ASN 108 lone 2 92 - 2 - HG3 PRO 68 - HB3 ASN 108 lone 2 75 - 2 - HG3 GLU 73 - HB3 ASN 108 lone 1 86 - 2 - HB2 GLU 69 - HB3 ASN 108 lone 1 77 - 2 - HG2 GLU 73 - HB3 ASN 108 lone 1 85 - 2 - Peak 7791 from cnoeabs.peaks (1.77, 2.72, 37.18 ppm; 4.23 A): 3 out of 32 assignments used, quality = 0.95: HD3 LYS 109 + HB3 ASN 106 OK 71 100 - 72 - 7788/1.8=14, ~7789=12...(12) HD2 LYS 109 + HB3 ASN 106 OK 71 100 - 71 - 7788/1.8=14, ~7789=12...(12) HD3 LYS 109 + HB3 ASN 108 OK 35 92 - 38 - 6.2/547=7, 7845=7...(11) HD2 LYS 109 - HB3 ASN 108 OK 35 92 - 38 - 6.2/547=7, 7845=7...(11) HG2 GLN 42 - HB3 ASN 108 OK 12 90 - 13 - 6777/3.5=3, 5570/4.6=3...(5) HB3 LYS 46 - HB3 ASN 106 poor 9 92 - 10 - 7788/1.8=2, ~7789=2...(5) HB2 ARG 53 - HB3 ASN 106 poor 8 71 - 12 - 5615/4.5=5, 7788/1.8=2...(4) HB3 LYS 46 - HB3 ASN 108 lone 6 81 - 7 - 1328/4.6=2 HB2 LEU 117 - HB3 ASN 106 lone 5 99 - 5 - HG LEU 117 - HB3 ASN 106 lone 5 100 - 5 - 7788/1.8=1 HB2 PRO 37 - HB3 ASN 108 lone 5 71 - 7 - 1329/4.6=1 HG2 GLN 42 - HB3 ASN 106 lone 5 99 - 5 - HB2 LEU 45 - HB3 ASN 106 lone 4 95 - 4 - 2884/3.5=1 HB2 LYS 32 - HB3 ASN 106 lone 4 83 - 4 - HG3 PRO 30 - HB3 ASN 106 lone 4 100 - 4 - HB2 PRO 37 - HB3 ASN 106 lone 4 83 - 4 - ~5998=1 HB2 LEU 45 - HB3 ASN 108 lone 3 84 - 3 - HB2 LEU 117 - HB3 ASN 108 lone 3 90 - 3 - 1329/4.6=1 HB2 ARG 53 - HB3 ASN 108 lone 3 60 - 4 - 4.4/5857=1 HG LEU 117 - HB3 ASN 108 lone 2 92 - 3 - HB2 GLU 75 - HB3 ASN 108 lone 2 88 - 3 - HG3 PRO 30 - HB3 ASN 108 lone 2 92 - 2 - HG3 ARG 71 - HB3 ASN 106 lone 2 97 - 2 - HB2 GLU 75 - HB3 ASN 106 lone 2 98 - 2 - HB2 LYS 32 - HB3 ASN 108 lone 1 71 - 2 - HG2 ARG 71 - HB3 ASN 106 lone 1 76 - 2 - HB VAL 66 - HB3 ASN 106 lone 1 85 - 1 - HG3 ARG 71 - HB3 ASN 108 lone 1 87 - 1 - HB3 GLU 56 - HB3 ASN 108 lone 1 58 - 2 - HB VAL 66 - HB3 ASN 108 lone 1 73 - 1 - HB3 GLU 56 - HB3 ASN 106 lone 1 68 - 1 - HG2 ARG 71 - HB3 ASN 108 lone 1 65 - 1 - Peak 7792 from cnoeabs.peaks (1.53, 2.72, 37.18 ppm; 4.67 A): 5 out of 18 assignments used, quality = 0.87: HG3 LYS 109 + HB3 ASN 106 OK 64 81 - 80 - 7789/1.8=21, ~7787=16...(13) HG3 LYS 109 + HB3 ASN 108 OK 34 69 - 50 - 4.7/547=13, 2.9/7841=9...(12) HB2 LYS 65 + HB3 ASN 106 OK 20 90 - 22 - 7789/1.8=5, ~7789=4...(6) HB3 LYS 65 + HB3 ASN 106 OK 20 90 - 22 - 7789/1.8=5, ~7789=4...(6) HD3 LYS 46 + HB3 ASN 106 OK 12 100 - 12 - 7789/1.8=3, 7800/3.5=2...(4) HD3 LYS 46 - HB3 ASN 108 lone 8 92 - 9 - 1327/4.6=4 HG12 ILE 124 - HB3 ASN 108 poor 8 62 - 13 - 4.0/8122=2, 1327/4.6=2...(6) HB2 LYS 65 - HB3 ASN 108 lone 7 79 - 8 - 1327/4.6=3 HB3 LYS 65 - HB3 ASN 108 lone 7 79 - 8 - 1327/4.6=3 HG12 ILE 124 - HB3 ASN 106 lone 6 73 - 9 - 7789/1.8=2, 7800/3.5=2 HG2 ARG 92 - HB3 ASN 108 lone 5 75 - 6 - ~7831=1, 7831/3.5=1...(4) HG3 ARG 92 - HB3 ASN 108 lone 5 71 - 6 - ~7831=1, 7831/3.5=1...(4) HB2 LEU 24 - HB3 ASN 106 lone 2 78 - 3 - 5488/3.5=1 HB2 LEU 24 - HB3 ASN 108 lone 2 67 - 3 - HG2 ARG 92 - HB3 ASN 106 lone 2 87 - 2 - HG3 ARG 92 - HB3 ASN 106 lone 2 83 - 2 - HB3 LEU 114 - HB3 ASN 108 lone 1 53 - 3 - HB3 LEU 114 - HB3 ASN 106 lone 1 63 - 1 - Peak 7803 from cnoeabs.peaks (3.11, 2.90, 37.18 ppm; 4.80 A): 4 out of 8 assignments used, quality = 0.81: HB3 ASP 100 + HB2 ASN 106 OK 59 100 - 59 - 3.0/7805=11, ~7693=10...(13) HB2 PHE 107 + HB2 ASN 106 OK 37 100 - 37 - 4827/4.5=23, 7786/3.9=7...(4) HB3 CYS 76 + HB2 ASN 106 OK 16 100 - 16 - 3.0/7805=4, 7804/1.8=3...(5) HD3 ARG 53 + HB2 ASN 106 OK 10 87 - 12 - 1311/4.5=4, 3.6/7788=2...(5) HD3 ARG 57 - HB2 ASN 106 lone 8 97 - 8 - 7786/3.9=3, 1311/4.5=1 HB3 CYS 52 - HB2 ASN 106 lone 8 100 - 8 - 1311/4.5=3, 7786/3.9=1 HD3 ARG 81 - HB2 ASN 106 lone 7 89 - 7 - 1311/4.5=3, 7786/3.9=1 HB3 HIS 10 - HB2 ASN 106 lone 6 63 - 9 - 3.0/4809=2, ~1826=1...(4) Peak 7804 from cnoeabs.peaks (3.11, 2.72, 37.18 ppm; 4.76 A): 4 out of 16 assignments used, quality = 0.94: HB3 ASP 100 + HB3 ASN 106 OK 58 100 - 58 - 7803/1.8=15, 3.0/7693=13...(11) HB3 ASP 100 + HB3 ASN 108 OK 52 92 - 57 - 8149=22, 3.0/7693=11...(14) HB2 PHE 107 + HB3 ASN 106 OK 46 100 - 46 - 4827/4.5=23, 4.6/1319=10...(5) HB2 PHE 107 + HB3 ASN 108 OK 40 92 - 44 - 4.6/1319=16, 4.0/5857=9...(10) HB3 CYS 76 - HB3 ASN 106 OK 19 100 - 19 - 7803/1.8=4, 3.0/7806=3...(5) HB3 CYS 76 - HB3 ASN 108 OK 13 92 - 14 - 539/4.0=2, 3.0/7806=1...(4) HD3 ARG 53 - HB3 ASN 106 OK 11 87 - 12 - 1311/4.5=4, 7803/1.8=3...(4) HD3 ARG 57 - HB3 ASN 106 lone 9 97 - 9 - 7786/3.9=3, 7803/1.8=2 HB3 CYS 52 - HB3 ASN 106 lone 9 100 - 9 - 1311/4.5=3, 7803/1.8=2 HD3 ARG 57 - HB3 ASN 108 lone 8 86 - 9 - 539/4.0=2 HD3 ARG 81 - HB3 ASN 106 lone 7 89 - 8 - 1311/4.5=3, 7803/1.8=2 HB3 HIS 10 - HB3 ASN 106 lone 6 63 - 9 - 7803/1.8=2, 4.4/492=1...(6) HD3 ARG 81 - HB3 ASN 108 lone 5 77 - 7 - 539/4.0=3 HB3 CYS 52 - HB3 ASN 108 lone 5 92 - 5 - 539/4.0=2 HD3 ARG 53 - HB3 ASN 108 lone 4 75 - 5 - 539/4.0=2 HB3 HIS 10 - HB3 ASN 108 lone 2 53 - 3 - Peak 7805 from cnoeabs.peaks (4.36, 2.90, 37.18 ppm; 4.69 A): 5 out of 8 assignments used, quality = 0.89: HA ASP 100 + HB2 ASN 106 OK 62 95 - 65 - 7690/3.9=19, 7693/1.8=16...(15) HA GLN 105 + HB2 ASN 106 OK 53 92 - 58 - 5850/3.9=24, 2.9/7783=13...(6) HA CYS 76 + HB2 ASN 106 OK 23 99 - 23 - 8338/3.5=7, 7806/1.8=4...(6) HA MET 11 + HB2 ASN 106 OK 14 100 - 14 - 7806/1.8=2, 524/3.9=2...(8) HA PHE 40 + HB2 ASN 106 OK 11 68 - 16 - 2737=2, 3.0/937=2...(8) HB THR 116 - HB2 ASN 106 lone 8 99 - 8 - 7809/4.5=2, 524/3.9=2...(4) HA LEU 93 - HB2 ASN 106 lone 6 87 - 6 - 524/3.9=2, 7809/4.5=1 HA SER 35 - HB2 ASN 106 lone 3 96 - 3 - Peak 7806 from cnoeabs.peaks (4.37, 2.72, 37.18 ppm; 4.14 A): 4 out of 16 assignments used, quality = 0.87: HA ASP 100 + HB3 ASN 106 OK 54 93 - 58 - 7690/3.9=15, 7693=15...(12) HA GLN 105 + HB3 ASN 106 OK 46 93 - 49 - 5850/3.9=20, 7805/1.8=9...(8) HA ASP 100 + HB3 ASN 108 OK 37 82 - 45 - 7693=12, 3.0/8149=11...(13) HA CYS 76 + HB3 ASN 106 OK 18 99 - 18 - 8338/3.5=5, 7805/1.8=4...(6) HA MET 11 - HB3 ASN 106 lone 10 100 - 9 - 7805/1.8=2, 524/3.9=2, 2.9/492=1 HA GLN 105 - HB3 ASN 108 poor 9 82 - 11 - 3.6/1306=6, 7809/5857=1...(4) HA CYS 76 - HB3 ASN 108 lone 7 89 - 8 - 3.0/7804=1 HB THR 116 - HB3 ASN 106 lone 6 99 - 6 - 7809/4.5=2, 524/3.9=2 HA PHE 40 - HB3 ASN 106 lone 6 65 - 9 - 7805/1.8=2, 3.0/4816=2...(4) HA LEU 93 - HB3 ASN 106 lone 4 89 - 5 - 524/3.9=2, 7809/4.5=1 HA MET 11 - HB3 ASN 108 lone 4 92 - 4 - 2.9/492=1 HA PHE 40 - HB3 ASN 108 lone 4 55 - 7 - 6018/4.6=2 HA SER 35 - HB3 ASN 106 lone 2 97 - 2 - HB THR 116 - HB3 ASN 108 lone 2 91 - 2 - HA LEU 93 - HB3 ASN 108 lone 1 77 - 2 - HA SER 35 - HB3 ASN 108 lone 1 86 - 1 - Peak 7808 from cnoeabs.peaks (7.47, 2.90, 37.18 ppm; 4.73 A): 2 out of 3 assignments used, quality = 0.81: H LYS 109 + HB2 ASN 106 OK 75 99 - 76 - 7838=23, 1742/4.5=19...(10) H GLY 104 + HB2 ASN 106 OK 24 100 - 24 - 4.7/7783=9, 1739/4.5=5...(6) H ALA 43 - HB2 ASN 106 poor 9 71 - 13 - 4900/7787=2, 4920/7789=2...(6) Peak 7810 from cnoeabs.peaks (0.13, 4.01, 61.43 ppm; 4.53 A): 3 out of 3 assignments used, quality = 0.94: QG1 VAL 110 + HA PHE 107 OK 86 99 - 88 - 2.1/7811=46, 4811/3.7=22...(13) QD2 LEU 84 + HA PHE 107 OK 51 99 - 52 - 8518/3.7=14, 7490=9...(13) QD2 LEU 51 + HA PHE 107 OK 14 63 - 22 - 7829/3.7=5, 4988/7811=4...(7) Peak 7811 from cnoeabs.peaks (0.01, 4.01, 61.43 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.72: QG2 VAL 110 + HA PHE 107 OK 72 100 - 72 - 4812/3.7=22, 7868=20...(11) Peak 7812 from cnoeabs.peaks (1.97, 6.75, 127.53 ppm; 5.22 A): 2 out of 19 assignments used, quality = 0.98: HB2 LEU 41 + HZ PHE 107 OK 92 96 - 96 - 6760/2.2=24, 3.0/4774=24...(24) HG LEU 45 + HZ PHE 107 OK 68 100 - 68 - ~6849=26, 2.1/7816=14...(15) HB ILE 124 - HZ PHE 107 OK 27 96 - 28 - ~4794=4, ~4795=4...(9) HB3 ARG 85 - HZ PHE 107 OK 25 69 - 36 - ~7500=7, ~7498=6...(10) HB2 ARG 85 - HZ PHE 107 OK 25 69 - 36 - ~7500=7, ~7498=6...(10) HG LEU 114 - HZ PHE 107 OK 21 98 - 21 - 2.1/7950=3, 7232/4781=3...(8) HB3 PRO 30 - HZ PHE 107 OK 15 69 - 22 - ~7826=4, ~4782=4...(8) HB2 ARG 71 - HZ PHE 107 OK 15 100 - 15 - 3.6/4770=4, 3.6/4770=3...(4) HB2 LYS 46 - HZ PHE 107 OK 13 69 - 19 - ~6777=3, ~4783=2...(6) HB3 PRO 68 - HZ PHE 107 OK 12 96 - 12 - 7818/2.2=1, ~7817=1, ~4787=1 HG2 PRO 68 - HZ PHE 107 OK 12 98 - 12 - 7818/2.2=1, ~7817=1...(4) HB2 LEU 55 - HZ PHE 107 poor 9 61 - 14 - 8294/3.8=3, 6760/2.2=3, 6759=1 HB3 GLN 103 - HZ PHE 107 lone 9 96 - 9 - 4.4/7778=4 HG2 PRO 60 - HZ PHE 107 lone 7 81 - 9 - 2.3/4774=1 HB3 GLU 94 - HZ PHE 107 lone 6 83 - 7 - HB2 GLU 94 - HZ PHE 107 lone 6 69 - 8 - HB2 MET 11 - HZ PHE 107 lone 4 93 - 4 - HB3 LYS 119 - HZ PHE 107 lone 3 59 - 5 - HB3 GLU 69 - HZ PHE 107 lone 2 59 - 4 - Peak 7813 from cnoeabs.peaks (1.84, 6.75, 127.53 ppm; 5.21 A): 1 out of 13 assignments used, quality = 0.92: HG LEU 41 + HZ PHE 107 OK 92 98 - 94 - 6766/2.2=26, ~6767=24...(24) HG3 ARG 53 - HZ PHE 107 OK 21 93 - 23 - 5618/8.2=4, 3160/5.8=3...(10) HG12 ILE 22 - HZ PHE 107 OK 16 98 - 16 - 3.9/6423=4, 8477/2276=1...(6) HG13 ILE 63 - HZ PHE 107 OK 15 81 - 19 - ~4796=3, ~4794=3...(4) HG2 GLU 75 - HZ PHE 107 OK 11 64 - 16 - ~4789=4, 3.0/4776=3...(5) HB3 ARG 57 - HZ PHE 107 OK 10 61 - 17 - ~6726=4, ~4785=2...(4) HG2 GLU 73 - HZ PHE 107 lone 6 100 - 6 - HG3 GLU 73 - HZ PHE 107 lone 6 100 - 6 - HB3 GLU 28 - HZ PHE 107 lone 6 61 - 9 - 3.8/98=6 HG3 PRO 68 - HZ PHE 107 lone 5 61 - 8 - 1.8/7812=1, 2.3/4773=1...(5) HB2 GLU 69 - HZ PHE 107 lone 5 98 - 5 - HB3 LYS 109 - HZ PHE 107 lone 3 72 - 4 - ~4788=1 HB3 GLN 105 - HZ PHE 107 lone 2 77 - 3 - Peak 7814 from cnoeabs.peaks (1.64, 6.75, 127.53 ppm; 5.19 A): 5 out of 15 assignments used, quality = 1.00: HB3 GLN 42 + HZ PHE 107 OK 92 100 - 92 - 3.0/4770=21, 4.0/4769=21...(20) HB3 LEU 41 + HZ PHE 107 OK 81 85 - 95 - 3.0/4774=24, 6762/2.2=22...(24) HG LEU 101 + HZ PHE 107 OK 60 83 - 72 - ~4794=15, 2.1/7722=14...(15) HG LEU 27 + HZ PHE 107 OK 58 92 - 63 - 2283=12, 2.1/2297=10...(16) HG LEU 51 + HZ PHE 107 OK 49 99 - 50 - 2.1/4780=9, 2.1/4781=9...(9) HG3 ARG 85 - HZ PHE 107 OK 41 98 - 41 - 7500/2.2=11, ~7503=9...(9) HG2 PRO 30 - HZ PHE 107 OK 18 69 - 25 - ~7826=5, ~4782=4...(9) HB3 LYS 32 - HZ PHE 107 OK 14 100 - 13 - 3.0/4777=2, ~4789=2...(4) HG2 ARG 53 - HZ PHE 107 OK 12 61 - 19 - 1.8/7813=4, 4665/2.2=3...(6) HB ILE 34 - HZ PHE 107 OK 11 97 - 11 - 4804/3.8=1, 4790/2.2=1 HB2 LEU 59 - HZ PHE 107 lone 9 92 - 9 - ~4792=2, ~4795=1, 3.2/7815=1 HD2 LYS 32 - HZ PHE 107 lone 6 61 - 10 - 2.9/4777=2, ~4793=2, ~4789=1 HD3 LYS 32 - HZ PHE 107 lone 6 61 - 10 - 2.9/4777=2, ~4793=2, ~4789=1 HD2 LYS 31 - HZ PHE 107 lone 5 87 - 6 - ~4792=1 HD3 LYS 31 - HZ PHE 107 lone 5 87 - 6 - ~4792=1 Peak 7815 from cnoeabs.peaks (0.89, 6.75, 127.53 ppm; 4.56 A): 2 out of 10 assignments used, quality = 0.97: QD2 LEU 41 + HZ PHE 107 OK 91 99 - 91 - 6767/2.2=29, 2.1/4774=24...(24) HB2 GLN 42 + HZ PHE 107 OK 62 72 - 86 - 3.0/4770=18, 4.0/4769=17...(20) QD1 ILE 124 - HZ PHE 107 OK 22 99 - 22 - 4795/2.2=5, ~4794=2...(10) HG13 ILE 80 - HZ PHE 107 OK 16 72 - 22 - ~7398=8, ~7393=6...(4) QG1 VAL 49 - HZ PHE 107 OK 15 95 - 16 - 4795/2.2=3, 6902/5.8=2...(5) QD1 LEU 117 - HZ PHE 107 OK 13 89 - 15 - 4795/2.2=3, ~4789=2...(5) QD2 LEU 59 - HZ PHE 107 lone 7 95 - 7 - 4795/2.2=2 QG2 VAL 49 - HZ PHE 107 lone 6 64 - 10 - ~4795=2, 4808/3.8=1...(4) QD1 LEU 126 - HZ PHE 107 lone 4 91 - 5 - QD2 LEU 126 - HZ PHE 107 lone 4 79 - 5 - 4795/2.2=1 Peak 7816 from cnoeabs.peaks (0.64, 6.75, 127.53 ppm; 4.83 A): 5 out of 5 assignments used, quality = 0.94: QD1 LEU 45 + HZ PHE 107 OK 65 100 - 65 - 6849/2.2=33, 4810/3.8=10...(14) QG2 VAL 26 + HZ PHE 107 OK 45 83 - 53 - 5497=10, 2.1/5498=9...(11) QD1 LEU 51 + HZ PHE 107 OK 36 77 - 47 - 4797/2.2=10, 2.1/4781=8...(12) QD2 LEU 24 + HZ PHE 107 OK 30 83 - 36 - 6477=7, 4797/2.2=5...(10) QD1 LEU 21 + HZ PHE 107 OK 28 96 - 29 - 6398=6, 4797/2.2=5...(9) Peak 7817 from cnoeabs.peaks (2.23, 6.99, 129.94 ppm; 4.75 A): 2 out of 13 assignments used, quality = 0.97: HG2 GLU 38 + QE PHE 107 OK 82 97 - 85 - 4.0/6721=22, 6718=20...(19) HG3 GLU 38 + QE PHE 107 OK 81 96 - 85 - 4.0/6721=22, 6718=20...(19) HB3 LEU 117 - QE PHE 107 OK 37 100 - 37 - 3.0/4771=6, 1.8/4789=5...(14) HG3 GLU 64 - QE PHE 107 OK 29 99 - 29 - 5.0/7159=16, 4800/2.2=2...(9) HB2 PRO 70 - QE PHE 107 OK 22 93 - 24 - ~4772=4, 4800/2.2=4...(7) HB3 PRO 37 - QE PHE 107 OK 20 91 - 22 - 3.9/4768=7, 1.8/4789=4...(5) HB2 PRO 68 - QE PHE 107 OK 14 100 - 14 - ~7239=2, 4800/2.2=2...(5) HG3 GLU 28 - QE PHE 107 lone 10 100 - 10 - 5.1/4768=2, 3564/7159=1 HG2 GLU 28 - QE PHE 107 lone 10 100 - 10 - 5.1/4768=2, 3564/7159=1 HG2 GLU 94 - QE PHE 107 lone 9 98 - 10 - 3564/7159=1, 4.9/4768=1 HG2 GLU 56 - QE PHE 107 lone 8 90 - 9 - 3.0/4789=1, 4800/2.2=1 HG2 PRO 37 - QE PHE 107 poor 8 62 - 12 - 2.3/4789=4, 6310/6316=1 HG3 GLU 15 - QE PHE 107 lone 6 80 - 8 - 6321/6316=2 Peak 7818 from cnoeabs.peaks (1.97, 6.99, 129.94 ppm; 5.13 A): 2 out of 19 assignments used, quality = 0.99: HB2 LEU 41 + QE PHE 107 OK 95 97 - 98 - 6760=29, 3.1/6767=29...(31) HG LEU 45 + QE PHE 107 OK 73 100 - 73 - 2.1/6849=35, ~4810=10...(19) HB3 ARG 85 - QE PHE 107 OK 39 70 - 55 - 3.9/7503=10, 3.0/7500=9...(15) HB2 ARG 85 - QE PHE 107 OK 39 70 - 55 - 3.9/7503=10, 3.0/7500=9...(15) HB ILE 124 - QE PHE 107 OK 38 97 - 39 - 3.2/4795=5, 2.1/4794=5...(14) HG LEU 114 - QE PHE 107 OK 26 99 - 27 - 7232/4798=4, 2.1/7822=3...(10) HB3 PRO 30 - QE PHE 107 OK 23 70 - 33 - 3.0/7826=6, 2.3/4789=3...(12) HB2 ARG 71 - QE PHE 107 OK 23 100 - 23 - 3.6/4784=4, ~4772=4...(7) HB2 LYS 46 - QE PHE 107 OK 18 70 - 26 - 1.8/6777=4, 3.0/4783=3...(11) HG2 PRO 68 - QE PHE 107 OK 17 99 - 17 - ~7239=3, 2.3/7817=2...(6) HB3 PRO 68 - QE PHE 107 OK 17 97 - 17 - ~7239=3, ~4800=2...(5) HB2 LEU 55 - QE PHE 107 OK 13 62 - 21 - ~8295=5, 8294/2.2=4...(5) HB3 GLU 94 - QE PHE 107 OK 11 84 - 13 - 4.0/4768=2, 3.0/4787=1 HB3 GLN 103 - QE PHE 107 OK 10 97 - 10 - 4.0/1736=4 HG2 PRO 60 - QE PHE 107 poor 10 82 - 12 - 6005/6721=1, 2.3/4789=1 HB2 GLU 94 - QE PHE 107 poor 9 70 - 13 - 4.0/4768=2, 6005/6721=2 HB2 MET 11 - QE PHE 107 lone 5 94 - 5 - HB3 LYS 119 - QE PHE 107 lone 5 59 - 8 - HB3 GLU 69 - QE PHE 107 lone 5 59 - 8 - 4.8/4783=2 Peak 7819 from cnoeabs.peaks (1.64, 6.99, 129.94 ppm; 5.19 A): 6 out of 15 assignments used, quality = 1.00: HB3 GLN 42 + QE PHE 107 OK 97 100 - 97 - 3.0/6771=28, 1.8/6773=24...(31) HB3 LEU 41 + QE PHE 107 OK 85 86 - 98 - 3.1/6767=29, 6762=27...(31) HG LEU 101 + QE PHE 107 OK 71 84 - 84 - ~8152=23, 2.1/4794=18...(20) HG LEU 51 + QE PHE 107 OK 64 100 - 65 - 2.1/4797=10, 7500=10...(16) HG LEU 27 + QE PHE 107 OK 62 93 - 67 - 2283/2.2=10, 2.1/8413=10...(25) HG3 ARG 85 + QE PHE 107 OK 56 99 - 57 - 7500=13, 3.0/7503=12...(13) HG2 PRO 30 - QE PHE 107 OK 25 70 - 35 - 2.3/7826=6, 1.8/4789=4...(13) HG2 ARG 53 - QE PHE 107 OK 21 62 - 35 - 3.0/4785=4, 5617/6.5=4...(14) HB3 LYS 32 - QE PHE 107 OK 19 100 - 19 - 1.8/4789=3, 3.0/4793=3...(6) HB ILE 34 - QE PHE 107 OK 19 98 - 19 - ~6623=4, ~6630=4...(4) HB2 LEU 59 - QE PHE 107 OK 12 93 - 12 - 1.8/4792=2, 3.2/4795=2 HD2 LYS 32 - QE PHE 107 poor 9 62 - 14 - 2.9/4793=3, 3.5/4789=2...(4) HD3 LYS 32 - QE PHE 107 poor 9 62 - 14 - 2.9/4793=3, 3.5/4789=2...(4) HD2 LYS 31 - QE PHE 107 lone 8 88 - 9 - 3.0/4792=2 HD3 LYS 31 - QE PHE 107 lone 8 88 - 9 - 3.0/4792=2 Peak 7820 from cnoeabs.peaks (0.98, 6.99, 129.94 ppm; 4.28 A): 3 out of 9 assignments used, quality = 0.93: QD1 LEU 101 + QE PHE 107 OK 82 100 - 82 - 8152/2.2=26, 4672=16...(26) HB3 LEU 27 + QE PHE 107 OK 40 70 - 57 - 3.1/8413=6, ~2269=6...(22) QG1 VAL 18 + QE PHE 107 OK 40 100 - 40 - 2.1/4793=7, ~4777=6...(9) HG3 LYS 65 - QE PHE 107 OK 26 100 - 26 - 4807/2.2=4, ~4807=3...(8) HG2 LYS 65 - QE PHE 107 OK 26 100 - 26 - 4807/2.2=4, ~4807=3...(8) QD2 LEU 58 - QE PHE 107 OK 18 95 - 19 - 4807/2.2=3, 7872/4799=2...(5) QG2 ILE 124 - QE PHE 107 OK 18 73 - 25 - 3.2/4795=4, 7827/2.2=3...(11) QG2 THR 95 - QE PHE 107 OK 17 99 - 17 - 7626/4798=4, 7626/4798=3...(5) QD1 LEU 58 - QE PHE 107 OK 14 82 - 18 - 4807/2.2=2, ~4807=2...(5) Peak 7821 from cnoeabs.peaks (0.90, 6.99, 129.94 ppm; 4.44 A): 4 out of 13 assignments used, quality = 1.00: QD2 LEU 41 + QE PHE 107 OK 88 93 - 95 - 6767=32, 2.1/6766=20...(28) HB2 GLN 42 + QE PHE 107 OK 85 93 - 92 - 3.0/6771=23, 6773=20...(26) QD1 LEU 41 + QE PHE 107 OK 56 59 - 94 - 2.1/6767=28, 2.1/6766=20...(28) QD2 LEU 27 + QE PHE 107 OK 51 82 - 62 - 2.1/8413=8, 2297/2.2=7...(22) QD1 LEU 27 - QE PHE 107 OK 45 75 - 60 - 8413=6, 2.1/4790=6...(20) QD1 LEU 117 - QE PHE 107 OK 28 99 - 28 - 3.8/4771=4, 3.1/4789=4...(8) QD1 ILE 124 - QE PHE 107 OK 26 90 - 29 - 3.2/4794=4, 2.1/4793=3...(14) QG1 VAL 49 - QE PHE 107 OK 15 80 - 19 - 6902/4.4=3, 7815/2.2=2...(6) QG2 ILE 22 - QE PHE 107 OK 14 80 - 17 - ~6423=2, 2160/7890=2...(6) QG2 VAL 49 - QE PHE 107 OK 13 88 - 15 - 4808/2.2=2, ~7828=2...(4) QG2 VAL 115 - QE PHE 107 OK 13 80 - 16 - 3.2/4783=2, 7978/7888=2...(4) QD2 LEU 59 - QE PHE 107 lone 8 80 - 10 - 3.2/4792=1 QD1 LEU 126 - QE PHE 107 lone 6 99 - 6 - Peak 7822 from cnoeabs.peaks (0.74, 6.99, 129.94 ppm; 4.44 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 111 + QE PHE 107 OK 92 99 - 92 - 2.1/7890=28, 7893=18...(24) HG LEU 111 + QE PHE 107 OK 88 95 - 93 - 2.1/7890=28, 3.0/7888=17...(25) QD1 LEU 84 + QE PHE 107 OK 54 98 - 55 - 2.1/4798=15, ~8518=12...(14) QG2 ILE 63 - QE PHE 107 OK 35 78 - 45 - 4.3/7159=16, 7125/2.2=5...(13) QD2 LEU 93 - QE PHE 107 OK 22 90 - 24 - 3.1/4792=3, 7893=3...(6) QD1 LEU 114 - QE PHE 107 OK 22 91 - 24 - 7875/4798=3, 4779/2.2=2...(7) QD1 LEU 91 - QE PHE 107 OK 16 99 - 17 - 4779/2.2=1, 5024/7890=1 Peak 7823 from cnoeabs.peaks (0.63, 6.99, 129.94 ppm; 4.72 A): 4 out of 6 assignments used, quality = 0.96: QD1 LEU 45 + QE PHE 107 OK 69 96 - 72 - 6849=35, 4810/2.2=12...(17) QD1 LEU 51 + QE PHE 107 OK 56 95 - 59 - 4780/2.2=9, 4810/2.2=8...(20) QG2 VAL 26 + QE PHE 107 OK 49 98 - 50 - 4780/2.2=11, 4810/2.2=8...(16) QG1 VAL 26 + QE PHE 107 OK 39 78 - 50 - ~5497=7, ~4780=7...(14) QD1 LEU 21 - QE PHE 107 OK 23 82 - 28 - 4810/2.2=5, 6398/2.2=5...(10) QD2 LEU 24 - QE PHE 107 OK 20 59 - 34 - 3.1/4793=5, 7816/2.2=5...(11) Peak 7824 from cnoeabs.peaks (0.13, 6.99, 129.94 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.97: QG1 VAL 110 + QE PHE 107 OK 93 98 - 94 - 2.1/4799=44, ~4812=31...(23) QD2 LEU 84 + QE PHE 107 OK 56 98 - 57 - 8518/2.2=19, 4781/2.2=12...(17) QD2 LEU 51 - QE PHE 107 OK 35 62 - 57 - 2.1/4797=9, 4781/2.2=8...(19) Peak 7825 from cnoeabs.peaks (3.21, 6.99, 129.94 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.98: HA GLN 42 + QE PHE 107 OK 95 99 - 95 - 6771=32, 3.0/4767=22...(30) HD2 ARG 81 + QE PHE 107 OK 60 99 - 61 - 4813/2.2=11, 4770/2.2=9...(17) HD2 ARG 71 - QE PHE 107 OK 26 93 - 28 - 4770/2.2=4, ~4813=4...(11) HB3 PHE 83 - QE PHE 107 OK 23 100 - 23 - 7471/4.4=4, 4770/2.2=4...(5) HD3 ARG 71 - QE PHE 107 OK 20 80 - 26 - 4813/2.2=5, 4770/2.2=3...(8) HB3 TRP 20 - QE PHE 107 lone 6 88 - 7 - 6848/6849=2 Peak 7826 from cnoeabs.peaks (3.77, 6.99, 129.94 ppm; 5.20 A): 5 out of 12 assignments used, quality = 0.94: HA GLU 38 + QE PHE 107 OK 85 95 - 89 - 6721=34, 6720/2.2=22...(23) HD2 PRO 30 + QE PHE 107 OK 33 100 - 33 - 2.3/4789=3, ~6586=3...(14) HA LEU 54 + QE PHE 107 OK 15 75 - 20 - ~4765=7, 3177/6.5=4, 6995/4797=1 HB3 SER 13 + QE PHE 107 OK 14 99 - 14 - 6291/7890=3, 6311/6316=2...(4) HA CYS 87 + QE PHE 107 OK 14 94 - 15 - 3.0/4787=2, 7900/7890=2 HA GLU 73 - QE PHE 107 poor 7 65 - 11 - 6080/4.4=2, 6082/4.4=2 HB3 SER 35 - QE PHE 107 lone 6 95 - 7 - 7900/7890=1 HB3 SER 74 - QE PHE 107 lone 4 96 - 4 - HB2 SER 74 - QE PHE 107 lone 4 95 - 4 - HB2 SER 72 - QE PHE 107 lone 4 99 - 4 - HB2 SER 90 - QE PHE 107 lone 2 59 - 4 - HA2 GLY 61 - QE PHE 107 lone 1 73 - 1 - Peak 7827 from cnoeabs.peaks (0.97, 7.19, 131.83 ppm; 4.87 A): 4 out of 7 assignments used, quality = 0.93: QD1 LEU 101 + QD PHE 107 OK 80 92 - 87 - 8152=29, 7709/4812=19...(22) QG1 VAL 18 + QD PHE 107 OK 31 93 - 33 - 2.1/4806=10, 4794/2.2=7...(7) HG3 LYS 65 + QD PHE 107 OK 29 97 - 30 - 4794/2.2=5, ~4794=4...(9) HG2 LYS 65 + QD PHE 107 OK 29 97 - 30 - 4794/2.2=5, ~4794=4...(9) QG2 ILE 124 - QD PHE 107 OK 22 92 - 24 - 4794/2.2=5, ~4795=3...(8) QG2 THR 95 - QD PHE 107 OK 18 99 - 18 - 7626/8518=5, 7626/4811=4...(4) QD2 LEU 58 - QD PHE 107 OK 15 77 - 19 - 7820/2.2=3, 7872/4812=2...(4) Peak 7828 from cnoeabs.peaks (0.90, 7.19, 131.83 ppm; 5.42 A): 2 out of 14 assignments used, quality = 0.98: QD2 LEU 41 + QD PHE 107 OK 90 97 - 93 - 6767/2.2=33, ~6766=21...(23) HB2 GLN 42 + QD PHE 107 OK 79 84 - 94 - 6773/2.2=21, ~6771=20...(24) QD2 LEU 27 - QD PHE 107 OK 37 69 - 53 - ~8413=7, 2.1/4804=6...(12) QD1 LEU 117 - QD PHE 107 OK 33 96 - 34 - 3.1/4800=5, 3.8/4615=4...(10) QG1 VAL 49 - QD PHE 107 OK 33 89 - 37 - 6902/2.4=6, 4.3/4764=5...(11) QD1 ILE 124 - QD PHE 107 OK 30 96 - 32 - 4795/2.2=5, 3.2/7827=4...(11) QD1 LEU 27 - QD PHE 107 OK 28 62 - 46 - 2.1/4804=6, 3.1/4805=6...(10) QG2 VAL 49 - QD PHE 107 OK 24 77 - 31 - 4.3/4764=5, ~6902=5...(10) HG13 ILE 80 - QD PHE 107 OK 19 59 - 33 - ~7398=11, ~7393=9...(6) QG2 VAL 115 - QD PHE 107 OK 11 67 - 16 - ~4783=2, 7978/4806=2...(4) QG2 ILE 22 - QD PHE 107 OK 10 67 - 16 - 3.0/4809=2, 2160/7889=2...(4) QD2 LEU 59 - QD PHE 107 poor 10 89 - 11 - 4795/2.2=2, ~4792=1...(4) QD1 LEU 126 - QD PHE 107 lone 7 96 - 7 - QD2 LEU 126 - QD PHE 107 lone 4 67 - 6 - 4795/2.2=1 Peak 7829 from cnoeabs.peaks (0.14, 7.19, 131.83 ppm; 5.47 A): 3 out of 3 assignments used, quality = 0.99: QG1 VAL 110 + QD PHE 107 OK 95 98 - 97 - 2.1/4812=50, ~4799=38...(19) QD2 LEU 84 + QD PHE 107 OK 63 98 - 64 - 8518=22, 4798/2.2=13...(14) QD2 LEU 51 + QD PHE 107 OK 59 93 - 63 - 6939=10, 2.1/4810=10...(16) Peak 7833 from cnoeabs.peaks (6.95, 1.55, 24.99 ppm; 5.03 A): 4 out of 4 assignments used, quality = 0.93: HD22 ASN 106 + HG3 LYS 109 OK 87 97 - 90 - 7800=29, 1.7/7796=22...(12) HD22 ASN 108 + HG3 LYS 109 OK 33 76 - 44 - 3.5/7843=11, 7832/1.8=9...(10) H LEU 101 + HG3 LYS 109 OK 12 83 - 15 - 549/4.7=5, 4.3/7842=2...(5) HD22 ASN 12 + HG3 LYS 109 OK 12 99 - 12 - 549/4.7=1, 7834/3.0=1...(7) Peak 7834 from cnoeabs.peaks (6.94, 1.76, 28.93 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.98: HD22 ASN 106 + HD2 LYS 109 OK 87 100 - 87 - 7799=19, 7800/3.0=18...(14) HD22 ASN 106 + HD3 LYS 109 OK 87 100 - 87 - 7799=19, 7800/3.0=18...(14) HD22 ASN 12 - HD2 LYS 109 lone 7 89 - 8 - 7833/3.0=2 HD22 ASN 12 - HD3 LYS 109 lone 7 88 - 8 - 7833/3.0=2 Peak 7835 from cnoeabs.peaks (7.81, 1.76, 28.93 ppm; 4.41 A): 2 out of 12 assignments used, quality = 0.98: HD21 ASN 106 + HD2 LYS 109 OK 87 100 - 87 - 7795=17, 1.7/7834=17...(15) HD21 ASN 106 + HD3 LYS 109 OK 87 100 - 87 - 7795=18, 1.7/7834=17...(15) H LEU 45 - HD2 LYS 109 OK 12 73 - 16 - 4.5/192=2, 4.6/6822=2...(7) H LEU 45 - HD3 LYS 109 OK 11 73 - 16 - 4.5/192=2, 4.6/6822=2...(7) HD21 ASN 99 - HD2 LYS 109 lone 9 89 - 10 - 3.5/7845=2, ~7843=1...(6) HD21 ASN 99 - HD3 LYS 109 lone 9 88 - 10 - 3.5/7845=2, ~7843=1...(6) H GLY 25 - HD2 LYS 109 lone 5 99 - 5 - H GLY 25 - HD3 LYS 109 lone 5 99 - 5 - H ILE 124 - HD2 LYS 109 lone 4 63 - 6 - 1413/3.0=2 H ILE 124 - HD3 LYS 109 lone 4 62 - 6 - 1413/3.0=2 H ASN 79 - HD2 LYS 109 lone 2 63 - 4 - H ASN 79 - HD3 LYS 109 lone 2 62 - 4 - Peak 7836 from cnoeabs.peaks (9.20, 1.76, 28.93 ppm; 4.75 A): 4 out of 4 assignments used, quality = 0.93: H ASP 97 + HD2 LYS 109 OK 64 100 - 64 - 7643/1.8=13, 8384/3.0=13...(11) H ASP 97 + HD3 LYS 109 OK 64 100 - 64 - 8384/3.0=13, 8384/3.0=13...(11) H ALA 98 + HD3 LYS 109 OK 27 100 - 27 - 4.6/7643=7, 8592/3.0=5...(9) H ALA 98 + HD2 LYS 109 OK 27 100 - 27 - 4.6/7643=6, 8592/3.0=5...(9) Peak 7837 from cnoeabs.peaks (8.42, 4.05, 58.55 ppm; 4.87 A): 0 out of 10 assignments used, low quality = 0.30: H GLN 16 - HA GLN 16 OK 30 30 - 100 - 3.0=100 H ILE 63 - HA GLN 16 poor 8 45 - 19 - 7134/4.0=4, ~3498=3...(6) H GLN 16 - HA LYS 109 lone 7 73 - 9 - H LEU 51 - HA LYS 109 lone 5 100 - 5 - 4.6/6210=1 H GLU 82 - HA GLN 16 poor 4 34 - 12 - ~4160=2, 34/3.6=2...(6) H ILE 63 - HA LYS 109 lone 4 96 - 4 - H GLU 82 - HA LYS 109 lone 3 81 - 4 - H THR 95 - HA LYS 109 lone 2 68 - 3 - H LEU 51 - HA GLN 16 lone 2 50 - 5 - H THR 95 - HA GLN 16 lone 1 28 - 2 - Peak 7839 from cnoeabs.peaks (2.90, 1.94, 32.56 ppm; 4.06 A): 6 out of 7 assignments used, quality = 0.90: HB2 ASN 106 + HB2 LYS 109 OK 67 100 - 67 - 7787/1.8=21, 7789/2.9=17...(10) HB3 PHE 96 + HB2 LYS 109 OK 45 68 - 66 - 1.8/7846=19, 3.0/8453=16...(11) HE2 LYS 32 + HB2 LYS 109 OK 15 87 - 17 - 7840/1.8=3, 7842/2.9=3...(7) HE3 LYS 32 + HB2 LYS 109 OK 14 85 - 17 - 7840/1.8=3, 7842/2.9=2...(7) HB2 ASP 100 + HB2 LYS 109 OK 14 97 - 14 - 6743/8450=5, 7838/4.0=4...(4) HB2 PHE 40 + HB2 LYS 109 OK 11 98 - 11 - 6743/8450=3, 7838/4.0=2...(4) HB3 ASN 12 - HB2 LYS 109 lone 5 83 - 6 - 7870/8450=2 Peak 7840 from cnoeabs.peaks (2.91, 1.86, 32.56 ppm; 4.06 A): 5 out of 6 assignments used, quality = 0.94: HB2 ASN 106 + HB3 LYS 109 OK 74 96 - 77 - 7787=24, 7789/2.9=16...(11) HB3 PHE 96 + HB3 LYS 109 OK 60 90 - 66 - 1.8/7847=18, ~7846=14...(11) HE2 LYS 32 + HB3 LYS 109 OK 17 99 - 17 - 7839/1.8=3, 7842/2.9=2...(7) HE3 LYS 32 + HB3 LYS 109 OK 16 98 - 17 - 7839/1.8=3, 7842/2.9=2...(7) HB2 ASP 100 + HB3 LYS 109 OK 12 83 - 15 - 6743/8449=4, 7838/4.0=3...(4) HB2 PHE 40 - HB3 LYS 109 poor 9 85 - 11 - 6743/8449=3, 7838/4.0=2...(4) Peak 7841 from cnoeabs.peaks (2.74, 1.86, 32.56 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.89: HB3 ASN 106 + HB3 LYS 109 OK 74 87 - 85 - 1.8/7787=29, 3.5/7798=19...(11) HB3 ASN 108 + HB3 LYS 109 OK 50 93 - 54 - 4.6/4900=20, 7843/2.9=11...(13) HB3 ASN 99 + HB3 LYS 109 OK 16 89 - 18 - 547/4.0=3, 7843/2.9=3...(7) HB2 ASP 123 - HB3 LYS 109 poor 10 92 - 10 - 7843/2.9=4, ~8105=3 Peak 7842 from cnoeabs.peaks (2.90, 1.55, 24.99 ppm; 4.13 A): 5 out of 7 assignments used, quality = 0.93: HB2 ASN 106 + HG3 LYS 109 OK 81 100 - 81 - 7789=25, 7787/2.9=18...(13) HB3 PHE 96 + HG3 LYS 109 OK 43 68 - 64 - ~7847=11, ~7846=11...(14) HE2 LYS 32 + HG3 LYS 109 OK 15 87 - 17 - 7839/2.9=3, 7840/2.9=3...(8) HE3 LYS 32 + HG3 LYS 109 OK 15 85 - 17 - 7839/2.9=3, 7840/2.9=3...(8) HB2 ASP 100 + HG3 LYS 109 OK 12 97 - 13 - 7838/4.7=3, 7839/2.9=2...(4) HB2 PHE 40 - HG3 LYS 109 lone 9 98 - 9 - 7838/4.7=2, 7839/2.9=2 HB3 ASN 12 - HG3 LYS 109 lone 5 83 - 6 - 3.5/7833=2 Peak 7843 from cnoeabs.peaks (2.75, 1.55, 24.99 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.74: HB3 ASN 106 + HG3 LYS 109 OK 52 63 - 83 - 1.8/7789=27, 3.5/7800=18...(13) HB3 ASN 108 + HG3 LYS 109 OK 37 73 - 51 - 4.6/4920=17, 7841/2.9=10...(12) HB2 ASP 123 + HG3 LYS 109 OK 14 100 - 14 - 4.0/8100=4, 1.8/8105=3...(4) HB3 ASN 99 - HG3 LYS 109 poor 10 65 - 15 - 7841/2.9=3, 547/4.7=2...(5) Peak 7844 from cnoeabs.peaks (2.91, 1.76, 28.93 ppm; 3.77 A): 4 out of 12 assignments used, quality = 0.98: HB2 ASN 106 + HD2 LYS 109 OK 66 96 - 69 - 7788=14, 7789/3.0=14...(13) HB2 ASN 106 + HD3 LYS 109 OK 66 95 - 69 - 7789/3.0=14, 7788=14...(13) HB3 PHE 96 + HD2 LYS 109 OK 56 90 - 62 - 1.8/7848=9, 3.0/8454=7...(19) HB3 PHE 96 + HD3 LYS 109 OK 56 90 - 62 - 1.8/7848=9, 3.0/8454=7...(19) HE2 LYS 32 - HD3 LYS 109 OK 16 98 - 16 - 7842/3.0=2, 7840/3.9=2...(5) HE2 LYS 32 - HD2 LYS 109 OK 15 99 - 15 - 7842/3.0=2, 7840/3.9=2...(5) HE3 LYS 32 - HD3 LYS 109 OK 15 98 - 15 - 7842/3.0=2, 7840/3.9=2...(5) HE3 LYS 32 - HD2 LYS 109 OK 15 98 - 15 - 7842/3.0=2, 7840/3.9=2...(5) HB2 ASP 100 - HD2 LYS 109 lone 7 83 - 9 - 7842/3.0=2, 7839/3.9=2...(4) HB2 ASP 100 - HD3 LYS 109 lone 7 82 - 9 - 7842/3.0=2, 7839/3.9=2...(4) HB2 PHE 40 - HD2 LYS 109 lone 6 85 - 7 - 7839/3.9=1, 7842/3.0=1...(4) HB2 PHE 40 - HD3 LYS 109 lone 6 84 - 7 - 7839/3.9=1, 7842/3.0=1...(4) Peak 7845 from cnoeabs.peaks (2.73, 1.76, 28.93 ppm; 4.32 A): 4 out of 8 assignments used, quality = 0.96: HB3 ASN 106 + HD2 LYS 109 OK 69 95 - 73 - 1.8/7788=15, ~7789=13...(12) HB3 ASN 106 + HD3 LYS 109 OK 69 94 - 73 - 1.8/7788=15, ~7789=13...(12) HB3 ASN 108 + HD2 LYS 109 OK 38 98 - 39 - 7843/3.0=7, 7841/3.9=7...(11) HB3 ASN 108 + HD3 LYS 109 OK 38 98 - 39 - 7843/3.0=7, 7841/3.9=7...(11) HB3 ASN 99 - HD2 LYS 109 OK 13 96 - 14 - 7841/3.9=2, 7843/3.0=2...(6) HB3 ASN 99 - HD3 LYS 109 OK 13 95 - 14 - 7841/3.9=2, 7843/3.0=2...(5) HB2 ASP 123 - HD2 LYS 109 lone 7 83 - 8 - 7843/3.0=3, ~8105=2, 7841/3.9=1 HB2 ASP 123 - HD3 LYS 109 lone 7 82 - 8 - 7843/3.0=3, ~8105=2, 7841/3.9=1 Peak 7846 from cnoeabs.peaks (3.52, 1.94, 32.56 ppm; 4.61 A): 2 out of 7 assignments used, quality = 0.75: HB2 PHE 96 + HB2 LYS 109 OK 72 98 - 74 - 7847/1.8=23, 3.0/8453=21...(10) HA ASN 118 + HB2 LYS 109 OK 12 68 - 17 - 7847/1.8=5, 8018/4.6=4 HA LEU 84 - HB2 LYS 109 poor 9 73 - 13 - 3.6/1192=3, 4.8/4276=3 HB3 SER 44 - HB2 LYS 109 poor 9 65 - 13 - 3.0/4891=2, 2874/2.9=2...(7) HB2 PHE 83 - HB2 LYS 109 lone 6 99 - 6 - 7847/1.8=2 HD2 PRO 60 - HB2 LYS 109 lone 5 65 - 8 - 4.8/275=3, 7847/1.8=2 HB2 ASP 47 - HB2 LYS 109 lone 2 87 - 3 - Peak 7847 from cnoeabs.peaks (3.53, 1.86, 32.56 ppm; 5.01 A): 2 out of 5 assignments used, quality = 0.75: HB2 PHE 96 + HB3 LYS 109 OK 70 90 - 77 - 7846/1.8=27, 3.0/8452=21...(10) HA ASN 118 + HB3 LYS 109 OK 16 85 - 19 - 8018/4.6=6, 7846/1.8=4...(6) HD2 PRO 60 - HB3 LYS 109 lone 7 83 - 9 - 4.8/273=3, 7846/1.8=2 HB2 PHE 83 - HB3 LYS 109 lone 6 92 - 6 - 7846/1.8=2 HB2 ASP 47 - HB3 LYS 109 lone 3 97 - 3 - Peak 7848 from cnoeabs.peaks (3.51, 1.77, 28.93 ppm; 4.85 A): 2 out of 8 assignments used, quality = 0.96: HB2 PHE 96 + HD3 LYS 109 OK 81 100 - 81 - 7846/3.9=16, 7634=13...(18) HB2 PHE 96 + HD2 LYS 109 OK 81 100 - 81 - 7846/3.9=16, 7634=13...(18) HB3 SER 44 - HD2 LYS 109 OK 14 93 - 15 - 4.0/6822=2, 7846/3.9=2...(6) HB3 SER 44 - HD3 LYS 109 OK 14 93 - 15 - 4.0/6822=2, 7846/3.9=2...(6) HA LEU 84 - HD2 LYS 109 lone 8 96 - 8 - 7846/3.9=2, 4597/7849=1 HA LEU 84 - HD3 LYS 109 lone 8 97 - 8 - 7846/3.9=2, 4597/7849=1 HB2 PHE 83 - HD3 LYS 109 lone 6 100 - 6 - 7846/3.9=1, 7847/3.9=1 HB2 PHE 83 - HD2 LYS 109 lone 6 99 - 6 - 7846/3.9=1, 7847/3.9=1 Peak 7849 from cnoeabs.peaks (7.26, 1.76, 28.93 ppm; 5.15 A): 4 out of 12 assignments used, quality = 0.95: QD PHE 96 + HD2 LYS 109 OK 69 97 - 71 - 2.4/7848=15, 2.4/7636=12...(12) QD PHE 96 + HD3 LYS 109 OK 68 96 - 71 - 2.4/7848=15, 2.4/7636=12...(12) QE PHE 96 + HD2 LYS 109 OK 32 90 - 35 - 4.4/7848=11, 4.4/7636=8...(7) QE PHE 96 + HD3 LYS 109 OK 31 90 - 35 - 4.4/7848=11, 4.4/7636=8...(7) HE ARG 57 - HD3 LYS 109 lone 7 100 - 7 - 8550/3.0=1 HE ARG 57 - HD2 LYS 109 lone 7 100 - 7 - 8550/3.0=1 H VAL 26 - HD2 LYS 109 lone 5 96 - 5 - H VAL 26 - HD3 LYS 109 lone 5 95 - 5 - HE ARG 71 - HD2 LYS 109 lone 4 99 - 4 - HE ARG 71 - HD3 LYS 109 lone 4 99 - 4 - HD1 TRP 20 - HD2 LYS 109 lone 4 73 - 5 - 5.0/4649=1, 6.6/6390=1 HD1 TRP 20 - HD3 LYS 109 lone 4 73 - 5 - 5.0/4649=1, 6.6/6390=1 Peak 7851 from cnoeabs.peaks (7.10, 2.98, 64.26 ppm; 5.04 A): 4 out of 5 assignments used, quality = 0.90: HZ PHE 96 + HA VAL 110 OK 75 87 - 86 - 4734/3.2=31, 2.2/4717=25...(15) QD PHE 40 + HA VAL 110 OK 36 78 - 45 - ~6743=8, 7857/3.2=7...(15) H LEU 93 + HA VAL 110 OK 29 99 - 30 - 7857/3.2=8, 7860/3.2=7...(8) QD PHE 83 + HA VAL 110 OK 16 90 - 18 - 7857/3.2=5, 2.5/7883=4...(6) HE ARG 92 - HA VAL 110 lone 7 98 - 7 - 7857/3.2=2, 6.9/6217=2 Peak 7852 from cnoeabs.peaks (7.26, 2.98, 64.26 ppm; 3.57 A): 2 out of 6 assignments used, quality = 0.93: QD PHE 96 + HA VAL 110 OK 77 97 - 79 - 4715/3.2=22, 4818=16...(19) QE PHE 96 + HA VAL 110 OK 68 90 - 75 - 4727/3.2=16, 4717=16...(17) HE ARG 57 - HA VAL 110 lone 8 100 - 8 - 8408/3.2=1, 7862/3.2=1 H VAL 26 - HA VAL 110 lone 7 96 - 8 - 8408/3.2=2, 7862/3.2=1 HE ARG 71 - HA VAL 110 lone 3 99 - 3 - HD1 TRP 20 - HA VAL 110 lone 3 73 - 4 - 6.6/4970=1 Peak 7854 from cnoeabs.peaks (6.98, 1.39, 29.93 ppm; 4.79 A): 2 out of 4 assignments used, quality = 0.98: QE PHE 107 + HB VAL 110 OK 93 99 - 94 - 4799/2.1=45, 4798/2.1=33...(16) H LEU 101 + HB VAL 110 OK 77 97 - 80 - 7698/2.1=44, ~7700=27...(8) HD22 ASN 12 - HB VAL 110 OK 26 76 - 34 - 7859/2.1=6, 3.5/4976=5...(9) HD22 ASN 108 - HB VAL 110 OK 15 99 - 16 - 7859/2.1=4, 4.3/6199=3...(5) Peak 7855 from cnoeabs.peaks (7.19, 1.39, 29.93 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.96: QD PHE 107 + HB VAL 110 OK 93 100 - 93 - 4812/2.1=45, 4811/2.1=29...(17) QD TYR 67 + HB VAL 110 OK 43 98 - 44 - 2.2/4975=10, 7861/2.1=8...(10) QE PHE 40 - HB VAL 110 OK 17 60 - 29 - ~7857=5, 7861/2.1=5...(8) HE ARG 81 - HB VAL 110 OK 14 98 - 15 - 7861/2.1=3, 7858/2.1=2...(7) H LYS 65 - HB VAL 110 OK 12 76 - 16 - 7858/2.1=4, 7850/4.0=4...(4) Peak 7856 from cnoeabs.peaks (6.98, 0.14, 19.30 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.95: QE PHE 107 + QG1 VAL 110 OK 84 99 - 84 - 4798=32, 4799/2.1=29...(18) H LEU 101 + QG1 VAL 110 OK 67 97 - 69 - 7698/2.1=26, ~7700=13...(13) HD22 ASN 12 - QG1 VAL 110 OK 16 76 - 22 - 7859/2.1=3, 3.5/4981=3...(8) HD22 ASN 108 - QG1 VAL 110 OK 12 99 - 12 - 7859/2.1=2, 4.3/7670=2...(4) Peak 7857 from cnoeabs.peaks (7.10, 0.14, 19.30 ppm; 4.04 A): 4 out of 5 assignments used, quality = 0.89: HZ PHE 96 + QG1 VAL 110 OK 71 87 - 82 - 4734/2.1=24, 4733=19...(18) H LEU 93 + QG1 VAL 110 OK 34 99 - 35 - 7860/2.1=5, 1233/2.1=4...(12) QD PHE 40 + QG1 VAL 110 OK 29 78 - 37 - ~6743=7, 7860/2.1=5...(10) QD PHE 83 + QG1 VAL 110 OK 22 90 - 24 - 4.6/1188=6, 4.6/7467=3...(9) HE ARG 92 - QG1 VAL 110 lone 8 98 - 8 - 6.9/7866=1 Peak 7858 from cnoeabs.peaks (7.20, 0.14, 19.30 ppm; 3.69 A): 3 out of 6 assignments used, quality = 0.92: QD PHE 107 + QG1 VAL 110 OK 83 95 - 87 - 4812/2.1=33, 4811=29...(16) QD TYR 67 + QG1 VAL 110 OK 37 100 - 37 - 2.2/4980=8, 7861/2.1=6...(10) QD TYR 102 + QG1 VAL 110 OK 26 78 - 34 - 2.5/4981=4, 4744/2.1=4...(11) QE PHE 40 - QG1 VAL 110 OK 21 85 - 25 - 2.2/7857=5, 7861/2.1=3...(8) H LYS 65 - QG1 VAL 110 OK 17 95 - 18 - 7850/4.0=3, 7861/2.1=2...(4) HE ARG 81 - QG1 VAL 110 OK 11 85 - 13 - 6.3/7434=3, 7861/2.1=2...(5) Peak 7859 from cnoeabs.peaks (6.97, 0.01, 19.30 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: H LEU 101 + QG2 VAL 110 OK 95 100 - 96 - 7698=50, 3.0/7700=34...(18) QE PHE 107 + QG2 VAL 110 OK 91 96 - 95 - 4799=47, 2.2/4812=42...(24) HD22 ASN 12 - QG2 VAL 110 OK 33 87 - 38 - 3.5/7870=5, 3.5/4986=5...(15) HD22 ASN 108 - QG2 VAL 110 OK 23 100 - 23 - 549/8451=3, 7856/2.1=3...(10) Peak 7860 from cnoeabs.peaks (7.09, 0.01, 19.30 ppm; 4.92 A): 2 out of 5 assignments used, quality = 0.94: HZ PHE 96 + QG2 VAL 110 OK 91 95 - 96 - 4734=44, 2.2/4727=38...(18) H LEU 93 + QG2 VAL 110 OK 37 100 - 37 - 7857/2.1=10, 7851/3.2=6...(10) QD PHE 40 - QG2 VAL 110 OK 33 65 - 51 - 2.5/6743=14, 7857/2.1=8...(15) QD PHE 83 - QG2 VAL 110 OK 13 81 - 16 - 7857/2.1=6, 7851/3.2=3...(5) HE ARG 92 - QG2 VAL 110 lone 7 93 - 7 - 7857/2.1=2, 7851/3.2=1 Peak 7861 from cnoeabs.peaks (7.20, 0.01, 19.30 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.96: QD PHE 107 + QG2 VAL 110 OK 93 99 - 95 - 4812=49, 2.2/4799=36...(16) QD TYR 67 + QG2 VAL 110 OK 44 100 - 44 - 2.2/4985=9, 7858/2.1=7...(11) QE PHE 40 - QG2 VAL 110 OK 25 73 - 34 - 4.4/6743=7, 2.2/7860=5...(12) QD TYR 102 - QG2 VAL 110 OK 24 65 - 37 - 7858/2.1=5, 2.5/4986=5...(13) H LYS 65 - QG2 VAL 110 OK 18 87 - 21 - 7858/2.1=3, 7850/4.0=3...(9) HE ARG 81 - QG2 VAL 110 OK 17 93 - 18 - 4826/7811=3, 4854/4799=3...(8) Peak 7862 from cnoeabs.peaks (7.27, 0.01, 19.30 ppm; 3.94 A): 2 out of 7 assignments used, quality = 0.99: QD PHE 96 + QG2 VAL 110 OK 94 99 - 95 - 4715=49, 2.2/4727=28...(23) QE PHE 96 + QG2 VAL 110 OK 75 81 - 93 - 2.2/4715=35, 4727=30...(24) HZ PHE 40 - QG2 VAL 110 OK 16 65 - 25 - 2.2/4727=5, 5.8/6743=5...(10) HE ARG 57 - QG2 VAL 110 OK 14 100 - 14 - 8408/2.1=2, 2.9/7871=2...(6) H VAL 26 - QG2 VAL 110 OK 14 89 - 16 - 8408/2.1=3, 6493/7712=3...(5) HE ARG 71 - QG2 VAL 110 lone 6 96 - 6 - 8744/7709=1 HD1 TRP 20 - QG2 VAL 110 lone 5 85 - 5 - 6.6/4985=1 Peak 7863 from cnoeabs.peaks (7.46, 0.01, 19.30 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.90: H LYS 109 + QG2 VAL 110 OK 85 97 - 88 - 8451=48, 4.7/1336=33...(12) H GLY 104 + QG2 VAL 110 OK 33 98 - 34 - 8568/7700=7, 550/4.0=7...(8) Peak 7865 from cnoeabs.peaks (7.58, 0.14, 19.30 ppm; 4.88 A): 5 out of 5 assignments used, quality = 0.89: H SER 113 + QG1 VAL 110 OK 60 99 - 61 - 4.0/7934=16, 6212/3.2=16...(9) H CYS 52 + QG1 VAL 110 OK 37 93 - 40 - 229=8, 3.6/3072=6...(9) H LYS 119 + QG1 VAL 110 OK 31 97 - 32 - 1792/4.3=12, 6212/3.2=4...(6) H ARG 57 + QG1 VAL 110 OK 29 99 - 29 - 1752/4.3=4, 6212/3.2=4...(10) H CYS 76 + QG1 VAL 110 OK 15 78 - 19 - 6212/3.2=5, 1759/4.3=4...(6) Peak 7866 from cnoeabs.peaks (7.99, 0.14, 19.30 ppm; 4.50 A): 3 out of 5 assignments used, quality = 0.70: H LEU 114 + QG1 VAL 110 OK 61 92 - 66 - 7557=18, 4.7/7934=12...(12) HE ARG 85 + QG1 VAL 110 OK 14 100 - 14 - 7.2/416=3, 8708/4798=2...(6) H ARG 92 + QG1 VAL 110 OK 12 71 - 18 - 4.6/7857=5, 6217/3.2=2...(4) H THR 17 - QG1 VAL 110 lone 9 99 - 9 - 7898/8164=2 H VAL 66 - QG1 VAL 110 poor 9 71 - 12 - 4.6/7858=2, 6217/3.2=2 Peak 7867 from cnoeabs.peaks (4.49, 0.01, 19.30 ppm; 4.25 A): 1 out of 8 assignments used, quality = 0.94: HA LEU 101 + QG2 VAL 110 OK 94 99 - 95 - 7700=50, 3.0/7698=33...(15) HA PRO 70 - QG2 VAL 110 OK 18 100 - 19 - 7882/2.1=3, 4673/7709=3...(9) HA ARG 71 - QG2 VAL 110 OK 13 100 - 13 - 4673/7709=2, 7882/2.1=2...(6) HA PRO 30 - QG2 VAL 110 OK 12 89 - 14 - 4673/7709=2, 8245/7733=2...(7) HA LEU 91 - QG2 VAL 110 OK 11 81 - 13 - 4673/7709=3, 4680/7712=2...(6) HA SER 90 - QG2 VAL 110 lone 7 81 - 9 - 7882/2.1=2, 3.0/5879=2, ~5878=1 HA PRO 60 - QG2 VAL 110 lone 3 89 - 4 - HB THR 23 - QG2 VAL 110 lone 1 57 - 1 - Peak 7868 from cnoeabs.peaks (4.01, 0.01, 19.30 ppm; 3.96 A): 4 out of 6 assignments used, quality = 0.94: HA PHE 107 + QG2 VAL 110 OK 87 100 - 87 - 7811=50, 3.7/4812=27...(12) HA ARG 81 + QG2 VAL 110 OK 25 92 - 28 - 7434/2.1=7, 6195/2.1=5...(9) HA ALA 14 + QG2 VAL 110 OK 19 93 - 21 - 1751/4.3=4, 6195/2.1=4...(7) HA LEU 117 + QG2 VAL 110 OK 17 83 - 21 - 1746/4.0=4, 6195/2.1=4...(7) HA THR 62 - QG2 VAL 110 poor 10 95 - 10 - 7880/2.1=2, 6195/2.1=2...(4) HA GLN 16 - QG2 VAL 110 lone 4 71 - 6 - 7701/7709=1 Peak 7869 from cnoeabs.peaks (2.08, 0.01, 19.30 ppm; 5.07 A): 4 out of 16 assignments used, quality = 0.92: HB2 LEU 101 + QG2 VAL 110 OK 70 71 - 99 - 3.1/7709=45, 3.0/7700=44...(16) HB2 LEU 114 + QG2 VAL 110 OK 53 99 - 54 - ~7946=11, ~7874=10...(10) HB2 ARG 57 + QG2 VAL 110 OK 26 100 - 26 - 4.2/5879=4, 7878/2.1=3...(11) HB3 ARG 81 + QG2 VAL 110 OK 23 76 - 31 - ~7434=7, 3.0/7868=7...(8) HG LEU 21 - QG2 VAL 110 OK 16 99 - 17 - 2122/7712=3, 7878/2.1=2...(6) HB3 PRO 70 - QG2 VAL 110 OK 15 60 - 25 - 2.3/7867=5, ~7882=3...(9) HB3 GLU 38 - QG2 VAL 110 OK 13 92 - 14 - 6726/4799=5, 4801/4812=4...(4) HB3 GLN 16 - QG2 VAL 110 lone 8 100 - 8 - 7878/2.1=1, ~7878=1, 3.0/7868=1 HB2 GLN 16 - QG2 VAL 110 lone 8 100 - 8 - 7878/2.1=1, ~7878=1, 3.0/7868=1 HB2 GLN 105 - QG2 VAL 110 lone 8 100 - 8 - 7782/6743=3 HB ILE 63 - QG2 VAL 110 lone 8 97 - 8 - 4801/4812=2, ~7881=1 HB2 GLU 15 - QG2 VAL 110 lone 7 96 - 7 - HG3 PRO 60 - QG2 VAL 110 lone 5 60 - 8 - ~7232=2, ~7877=1 HG3 GLU 69 - QG2 VAL 110 lone 5 90 - 5 - HG2 GLU 64 - QG2 VAL 110 lone 4 100 - 4 - 4801/4812=1 HG3 PRO 37 - QG2 VAL 110 lone 2 71 - 2 - Peak 7870 from cnoeabs.peaks (2.89, 0.01, 19.30 ppm; 4.45 A): 4 out of 6 assignments used, quality = 0.90: HB2 ASP 100 + QG2 VAL 110 OK 65 100 - 65 - 1.8/8150=28, 4.3/7698=27...(7) HB2 PHE 40 + QG2 VAL 110 OK 40 100 - 40 - 6743=15, 2.5/7860=5...(12) HB3 ASN 12 + QG2 VAL 110 OK 35 97 - 36 - 1.8/4986=7, ~4981=4...(13) HB2 ASN 106 + QG2 VAL 110 OK 24 99 - 24 - 7808/8451=8, 7787/8449=7...(6) HE2 LYS 32 - QG2 VAL 110 lone 3 63 - 4 - HE3 LYS 32 - QG2 VAL 110 lone 3 60 - 4 - Peak 7871 from cnoeabs.peaks (3.11, 0.01, 19.30 ppm; 4.69 A): 2 out of 8 assignments used, quality = 0.98: HB2 PHE 107 + QG2 VAL 110 OK 94 100 - 94 - 2.4/4812=45, 3.0/7811=42...(14) HB3 ASP 100 + QG2 VAL 110 OK 73 100 - 73 - 8150=35, 4.3/7698=29...(10) HD3 ARG 57 - QG2 VAL 110 OK 20 97 - 21 - 4819/4715=4, 3.5/7869=3...(9) HD3 ARG 81 - QG2 VAL 110 OK 20 89 - 22 - 4.7/7868=4, 8564/4812=4...(8) HB3 CYS 76 - QG2 VAL 110 OK 12 100 - 12 - ~7327=3, 4822/7811=2...(5) HD3 ARG 53 - QG2 VAL 110 lone 8 87 - 9 - 3.0/7734=2, 4822/7811=2...(4) HB3 CYS 52 - QG2 VAL 110 lone 7 100 - 7 - 4616/4812=2, 4822/7811=2 HB3 HIS 10 - QG2 VAL 110 lone 1 63 - 2 - Peak 7872 from cnoeabs.peaks (0.99, 0.01, 19.30 ppm; 3.72 A): 1 out of 9 assignments used, quality = 0.94: QD1 LEU 101 + QG2 VAL 110 OK 94 100 - 94 - 7709=49, 2.1/7712=30...(19) QG2 THR 95 - QG2 VAL 110 OK 32 96 - 33 - 7626/2.1=11, ~7625=6...(8) QD1 LEU 58 - QG2 VAL 110 OK 28 92 - 31 - 7050/4.0=6, 7873/2.1=4...(10) QD2 LEU 58 - QG2 VAL 110 OK 27 99 - 28 - 7873/2.1=4, 6367/2.1=3...(9) HB3 LEU 27 - QG2 VAL 110 OK 18 83 - 21 - 7873/2.1=3, 1.8/4987=3...(6) HG3 LYS 65 - QG2 VAL 110 OK 14 99 - 14 - 7873/2.1=2, 4649/7700=2...(9) HG2 LYS 65 - QG2 VAL 110 OK 14 99 - 14 - 7873/2.1=2, 4649/7700=2...(9) QG1 VAL 18 - QG2 VAL 110 OK 14 100 - 14 - 7873/2.1=2, 4794/4799=2...(5) QG2 ILE 124 - QG2 VAL 110 lone 5 60 - 9 - ~7877=1, 4794/4799=1 Peak 7873 from cnoeabs.peaks (0.99, 0.14, 19.30 ppm; 3.19 A): 5 out of 8 assignments used, quality = 0.93: QD1 LEU 101 + QG1 VAL 110 OK 81 99 - 82 - 7709/2.1=30, 7708=28...(17) QG2 THR 95 + QG1 VAL 110 OK 32 89 - 36 - 7626=10, 2.1/7625=8...(8) QD1 LEU 58 + QG1 VAL 110 OK 21 97 - 22 - 7050/4.0=5, 7062/2.1=3...(7) QD2 LEU 58 + QG1 VAL 110 OK 19 100 - 19 - 7872/2.1=3, 6367/2.1=2...(7) HB3 LEU 27 + QG1 VAL 110 OK 15 92 - 17 - 1.8/4982=2, 7872/2.1=2...(5) QG1 VAL 18 - QG1 VAL 110 lone 9 99 - 9 - 7872/2.1=1 HG2 LYS 65 - QG1 VAL 110 lone 9 97 - 9 - 7872/2.1=1 HG3 LYS 65 - QG1 VAL 110 lone 9 97 - 9 - 7872/2.1=1 Peak 7874 from cnoeabs.peaks (0.85, 0.14, 19.30 ppm; 3.97 A): 5 out of 9 assignments used, quality = 0.79: QD2 LEU 114 + QG1 VAL 110 OK 55 100 - 55 - 7946=15, 4.4/7866=11...(13) HG13 ILE 80 + QG1 VAL 110 OK 24 81 - 30 - 3.2/7404=8, 2.1/8345=6...(9) QD1 LEU 93 + QG1 VAL 110 OK 21 85 - 24 - 4.7/7857=4, 3.1/4982=3...(6) HG13 ILE 22 + QG1 VAL 110 OK 11 97 - 11 - 2.1/6444=2, ~6442=1, 8476/2.1=1 QD1 LEU 59 + QG1 VAL 110 OK 10 99 - 10 - 3421/2.1=1, 2.1/4982=1 QG1 VAL 115 - QG1 VAL 110 poor 9 87 - 11 - 3.2/7879=3, 5109/7916=1 QD2 LEU 55 - QG1 VAL 110 lone 8 100 - 8 - HB2 ASN 118 - QG1 VAL 110 lone 6 68 - 9 - 4.6/7865=3, ~8023=2, 6245/7916=1 QD2 LEU 126 - QG1 VAL 110 lone 2 73 - 2 - Peak 7875 from cnoeabs.peaks (0.72, 0.14, 19.30 ppm; 3.17 A): 4 out of 8 assignments used, quality = 0.82: QD2 LEU 111 + QG1 VAL 110 OK 42 98 - 43 - 4.0/7916=8, 4.7/5878=7...(15) QD1 LEU 114 + QG1 VAL 110 OK 38 100 - 38 - 2.1/7946=11, 7947=8...(7) QD1 LEU 84 + QG1 VAL 110 OK 32 73 - 44 - 4272=7, 2.1/4258=7...(10) HG LEU 111 + QG1 VAL 110 OK 27 65 - 41 - 4.3/7916=7, 2.1/8164=6...(14) QD1 LEU 91 - QG1 VAL 110 poor 9 83 - 11 - 7947=1, 1343/4.3=1, 5.0/7866=1 QD2 LEU 54 - QG1 VAL 110 lone 6 89 - 6 - 7947=1 HG3 GLU 75 - QG1 VAL 110 lone 3 81 - 4 - QG1 VAL 66 - QG1 VAL 110 lone 3 63 - 4 - Peak 7876 from cnoeabs.peaks (0.62, 0.14, 19.30 ppm; 3.56 A): 4 out of 4 assignments used, quality = 0.67: QD1 LEU 51 + QG1 VAL 110 OK 48 100 - 48 - 3107=8, ~4988=4...(21) QG2 VAL 26 + QG1 VAL 110 OK 15 100 - 15 - 4.0/8408=2, 7710/7711=2...(7) QG1 VAL 26 + QG1 VAL 110 OK 14 99 - 14 - 4.0/8408=2, 7710/7711=2...(5) QD1 LEU 45 + QG1 VAL 110 OK 13 71 - 18 - 2.1/6841=6, 6849/4798=4...(6) Peak 7877 from cnoeabs.peaks (1.97, 0.14, 19.30 ppm; 3.87 A): 3 out of 19 assignments used, quality = 0.62: HG LEU 114 + QG1 VAL 110 OK 45 99 - 45 - 2.1/7946=14, 2.1/7875=10...(7) HG LEU 45 + QG1 VAL 110 OK 22 100 - 22 - 6841=9, 2.1/7876=5...(6) HB2 LEU 41 + QG1 VAL 110 OK 13 97 - 14 - 6760/4798=4, 8294/4811=2...(5) HB ILE 124 - QG1 VAL 110 poor 10 97 - 10 - 3.0/7881=1 HB2 ARG 85 - QG1 VAL 110 poor 8 71 - 11 - 4.0/416=5, 5.0/7866=2 HB3 ARG 85 - QG1 VAL 110 poor 8 71 - 11 - 4.0/416=5, 5.0/7866=2 HB2 ARG 71 - QG1 VAL 110 lone 7 100 - 7 - 3.0/7882=2, ~7867=1 HG2 PRO 68 - QG1 VAL 110 lone 7 99 - 7 - 7232=2 HB3 GLN 103 - QG1 VAL 110 lone 6 97 - 7 - 4.6/5878=2, ~8155=1 HB3 GLU 94 - QG1 VAL 110 lone 6 85 - 8 - 4.7/7622=4 HB3 PRO 68 - QG1 VAL 110 lone 6 97 - 6 - 2.3/7232=2 HB3 PRO 30 - QG1 VAL 110 lone 5 71 - 7 - ~7867=1, 2.3/7882=1 HG2 PRO 60 - QG1 VAL 110 lone 5 83 - 6 - 7232=2 HB3 LYS 119 - QG1 VAL 110 lone 5 60 - 8 - 4.0/7865=3, ~6272=1 HB2 GLU 94 - QG1 VAL 110 lone 5 71 - 7 - 4.7/7622=4 HB2 LEU 55 - QG1 VAL 110 lone 5 63 - 7 - 3.1/7874=2 HB2 LYS 46 - QG1 VAL 110 lone 5 71 - 6 - 3.0/7879=1, 7704/7708=1 HB3 GLU 69 - QG1 VAL 110 lone 2 60 - 4 - 4.8/7879=2 HB2 MET 11 - QG1 VAL 110 lone 2 95 - 2 - Peak 7878 from cnoeabs.peaks (2.09, 0.14, 19.30 ppm; 4.63 A): 2 out of 13 assignments used, quality = 0.96: HB2 LEU 101 + QG1 VAL 110 OK 92 97 - 95 - 7732/2.1=32, ~7709=26...(17) HB2 LEU 114 + QG1 VAL 110 OK 54 99 - 55 - 4.0/7866=16, 3.1/7946=14...(9) HB2 ARG 57 - QG1 VAL 110 OK 22 87 - 25 - 3.7/7865=4, 4.2/5878=4...(7) HB3 PRO 70 - QG1 VAL 110 OK 20 93 - 21 - 2.3/7882=4, 3.0/7879=4...(8) HG LEU 21 - QG1 VAL 110 OK 15 99 - 15 - 7869/2.1=2, 2122/7711=2...(5) HB3 GLN 16 - QG1 VAL 110 poor 10 97 - 10 - 4.1/7866=2 HB2 GLN 16 - QG1 VAL 110 poor 10 97 - 10 - 4.1/7866=2 HB2 GLU 15 - QG1 VAL 110 lone 7 100 - 7 - HB ILE 63 - QG1 VAL 110 lone 6 68 - 9 - 3.0/7881=2 HG3 GLU 69 - QG1 VAL 110 lone 6 100 - 6 - HB3 GLU 38 - QG1 VAL 110 poor 6 57 - 10 - 4801/4811=2, 6726/4798=2 HB2 GLN 105 - QG1 VAL 110 lone 4 95 - 4 - HG2 GLU 64 - QG1 VAL 110 lone 4 87 - 4 - Peak 7879 from cnoeabs.peaks (3.62, 0.14, 19.30 ppm; 4.16 A): 4 out of 7 assignments used, quality = 0.91: HA LEU 111 + QG1 VAL 110 OK 82 99 - 83 - 7916=29, 2.9/5878=19...(19) HA ILE 80 + QG1 VAL 110 OK 31 81 - 38 - 3.2/7404=8, 7426=6...(12) HA VAL 115 + QG1 VAL 110 OK 18 100 - 18 - 1338/4.3=5, 3.2/7874=2...(5) HD2 PRO 70 + QG1 VAL 110 OK 17 100 - 17 - 3.6/7882=3, 1338/4.3=2...(5) HA LYS 46 - QG1 VAL 110 poor 9 78 - 11 - 6859/7708=2, 7716/7711=2 HA LEU 41 - QG1 VAL 110 poor 8 63 - 13 - 3.0/7877=3, 4783/4798=2 HA2 GLY 39 - QG1 VAL 110 lone 5 97 - 5 - 1338/4.3=1 Peak 7880 from cnoeabs.peaks (4.00, 0.14, 19.30 ppm; 4.49 A): 3 out of 5 assignments used, quality = 0.94: HA PHE 107 + QG1 VAL 110 OK 86 98 - 87 - 7811/2.1=45, 7810=27...(12) HA ARG 81 + QG1 VAL 110 OK 44 100 - 44 - 7434=13, 7868/2.1=6...(16) HA LEU 117 + QG1 VAL 110 OK 28 97 - 29 - 1746/4.0=5, 6195/2.1=5...(6) HA ALA 14 - QG1 VAL 110 OK 19 73 - 25 - 1751/4.3=5, 7868/2.1=5...(6) HA THR 62 - QG1 VAL 110 OK 16 100 - 16 - 6195/2.1=3, 7868/2.1=2...(4) Peak 7881 from cnoeabs.peaks (4.14, 0.14, 19.30 ppm; 4.90 A): 4 out of 12 assignments used, quality = 0.95: HB2 SER 113 + QG1 VAL 110 OK 73 92 - 79 - 7934=26, 6214/3.2=19...(14) HA ALA 98 + QG1 VAL 110 OK 50 100 - 51 - 2.1/7668=10, 7670=9...(16) HA ASN 108 + QG1 VAL 110 OK 37 100 - 38 - 6198/4.3=8, 7670=7...(8) HA PHE 83 + QG1 VAL 110 OK 36 97 - 37 - 3.6/1188=11, 3.0/7467=7...(10) HB3 SER 78 - QG1 VAL 110 OK 28 97 - 29 - 7362/4.0=8, ~6215=4...(9) HA ARG 57 - QG1 VAL 110 OK 22 73 - 31 - 3.0/7865=6, 3.6/5878=5...(10) HA ILE 124 - QG1 VAL 110 OK 20 100 - 20 - 3.0/7877=2, 1750/4.3=2...(6) HA ILE 63 - QG1 VAL 110 OK 17 100 - 17 - 1750/4.3=2, 7122/4811=1...(4) HA PRO 37 - QG1 VAL 110 OK 17 100 - 17 - 1750/4.3=2, 1744/4.0=2...(5) HA GLU 28 - QG1 VAL 110 poor 9 83 - 11 - ~100=1, 1750/4.3=1 HA3 GLY 25 - QG1 VAL 110 lone 6 73 - 8 - 3.6/8408=4 HB3 SER 72 - QG1 VAL 110 lone 4 100 - 3 - Peak 7882 from cnoeabs.peaks (4.48, 0.14, 19.30 ppm; 5.24 A): 5 out of 7 assignments used, quality = 0.95: HA LEU 101 + QG1 VAL 110 OK 89 95 - 94 - 7700/2.1=47, ~7698=30...(13) HA PRO 70 + QG1 VAL 110 OK 22 100 - 22 - 7867/2.1=5, 3.6/7879=4...(8) HA ARG 71 + QG1 VAL 110 OK 15 100 - 15 - 7867/2.1=4, 3.0/7877=2...(5) HA SER 90 + QG1 VAL 110 OK 14 92 - 15 - 3.0/5878=3, 7867/2.1=2...(6) HA LEU 91 + QG1 VAL 110 OK 12 65 - 19 - 3.6/7866=4, 7867/2.1=3...(7) HA PRO 30 - QG1 VAL 110 poor 10 76 - 13 - 7867/2.1=4, 2.3/7877=1...(5) HA PRO 60 - QG1 VAL 110 lone 6 97 - 6 - 3.8/7232=2 Peak 7883 from cnoeabs.peaks (3.52, 2.98, 64.26 ppm; 4.96 A): 3 out of 5 assignments used, quality = 0.93: HB2 PHE 96 + HA VAL 110 OK 87 100 - 87 - 7638/3.2=32, ~4715=24...(12) HA LEU 84 + HA VAL 110 OK 35 90 - 39 - 4237/3.2=11, 3.9/4973=10...(7) HB2 PHE 83 + HA VAL 110 OK 17 100 - 17 - 2.5/7851=4, ~7857=3...(6) HB3 SER 44 - HA VAL 110 lone 3 85 - 4 - HB2 ASP 47 - HA VAL 110 lone 1 68 - 2 - Peak 7885 from cnoeabs.peaks (6.78, 1.39, 40.93 ppm; 4.96 A): 3 out of 7 assignments used, quality = 0.94: H VAL 110 + HB2 LEU 111 OK 69 95 - 73 - 7884/1.8=22, 1513/3.8=20...(13) HZ PHE 107 + HB2 LEU 111 OK 68 78 - 87 - 2.2/7886=22, ~7888=18...(18) QE TYR 67 + HB2 LEU 111 OK 38 96 - 40 - 560/3.8=7, ~7889=5...(12) HE21 GLN 42 - HB2 LEU 111 OK 30 96 - 31 - 1754/4.6=5, 7897/3.0=5...(10) H LEU 27 - HB2 LEU 111 OK 29 85 - 34 - 876=4, 7891/3.1=4...(13) HH2 TRP 20 - HB2 LEU 111 OK 21 89 - 24 - 560/3.8=5, 1754/4.6=3...(8) HD22 ASN 99 - HB2 LEU 111 OK 13 93 - 14 - 7891/3.1=2, 7887/1.8=2...(5) Peak 7886 from cnoeabs.peaks (6.98, 1.39, 40.93 ppm; 5.16 A): 1 out of 4 assignments used, quality = 0.96: QE PHE 107 + HB2 LEU 111 OK 96 100 - 96 - 7890/3.1=28, 7888/1.8=26...(24) H LEU 101 - HB2 LEU 111 OK 28 92 - 30 - 7890/3.1=7, 7888/1.8=5...(9) HD22 ASN 108 - HB2 LEU 111 OK 26 96 - 28 - 4.3/6199=8, 7890/3.1=7...(5) HD22 ASN 12 - HB2 LEU 111 lone 3 63 - 5 - Peak 7887 from cnoeabs.peaks (6.78, 1.21, 40.93 ppm; 4.71 A): 4 out of 14 assignments used, quality = 0.95: HZ PHE 107 + HB3 LEU 111 OK 68 78 - 87 - 2.2/7888=22, ~7890=15...(16) H VAL 110 + HB3 LEU 111 OK 64 95 - 68 - 7884=24, 1513/3.8=19...(11) QE TYR 67 + HB3 LEU 111 OK 36 96 - 38 - 560/3.8=7, 2.2/8158=5...(12) HE21 GLN 42 + HB3 LEU 111 OK 28 96 - 29 - 1754/4.6=4, 7897/3.0=4...(11) HD22 ASN 99 - HB2 LEU 77 OK 25 47 - 54 - 7683/3.1=19, 7684/3.1=14...(6) H LEU 27 - HB3 LEU 111 OK 22 85 - 26 - 876/1.8=4, 7891/3.1=3...(10) HH2 TRP 20 - HB3 LEU 111 OK 18 89 - 21 - 560/3.8=5, 7885/1.8=3...(7) QE TYR 67 - HB2 LEU 77 OK 16 49 - 34 - 4817/4.3=11, ~8295=7...(8) HD22 ASN 99 - HB3 LEU 111 OK 13 93 - 13 - 7885/1.8=2, 7891/3.1=2...(4) H VAL 110 - HB2 LEU 77 poor 8 48 - 18 - 7360/4.3=5, 7884/3.0=3...(4) HZ PHE 107 - HB2 LEU 77 poor 8 36 - 23 - 2.2/7888=5, 4777=4...(6) HH2 TRP 20 - HB2 LEU 77 poor 8 43 - 19 - 7360/4.3=3, 4664/3.1=2...(8) H LEU 27 - HB2 LEU 77 poor 7 40 - 18 - ~7352=3, 4.1/8216=2...(6) HE21 GLN 42 - HB2 LEU 77 poor 6 49 - 12 - 740/1.8=2, ~748=2, 6798/3.0=1 Peak 7888 from cnoeabs.peaks (6.99, 1.21, 40.93 ppm; 4.73 A): 4 out of 6 assignments used, quality = 0.95: QE PHE 107 + HB3 LEU 111 OK 90 99 - 92 - 7890/3.1=21, 7886/1.8=20...(23) QE PHE 107 + HB2 LEU 77 OK 20 52 - 38 - ~8295=7, 4793=5...(13) HD22 ASN 108 + HB3 LEU 111 OK 20 78 - 25 - 4.3/6201=7, 7886/1.8=6...(6) H LEU 101 + HB3 LEU 111 OK 16 71 - 23 - 7886/1.8=6, 7890/3.1=5...(7) H LEU 101 - HB2 LEU 77 lone 2 32 - 5 - HD22 ASN 108 - HB2 LEU 77 lone 2 36 - 4 - Peak 7889 from cnoeabs.peaks (7.19, 0.80, 24.39 ppm; 4.07 A): 4 out of 5 assignments used, quality = 0.92: QD PHE 107 + QD1 LEU 111 OK 86 100 - 86 - 2.2/7890=24, 4809=22...(25) QD TYR 67 + QD1 LEU 111 OK 28 98 - 28 - 2.2/7891=3, 8158/3.1=3...(9) H LYS 65 + QD1 LEU 111 OK 15 76 - 19 - 7165/2.1=3, 7892/2.1=2...(6) QE PHE 40 + QD1 LEU 111 OK 11 60 - 19 - 4830=5, ~4668=2, ~6744=2...(8) HE ARG 81 - QD1 LEU 111 poor 10 98 - 10 - 4854/7890=2, 7892/2.1=1 Peak 7890 from cnoeabs.peaks (6.98, 0.80, 24.39 ppm; 3.82 A): 3 out of 4 assignments used, quality = 0.86: QE PHE 107 + QD1 LEU 111 OK 78 99 - 79 - 2.2/7889=18, 7893/2.1=14...(24) H LEU 101 + QD1 LEU 111 OK 21 97 - 21 - 7886/3.1=3, 7893/2.1=3...(7) HD22 ASN 108 + QD1 LEU 111 OK 20 99 - 20 - 5.7/7895=5, 4.3/7903=3...(7) HD22 ASN 12 - QD1 LEU 111 lone 3 76 - 4 - Peak 7891 from cnoeabs.peaks (6.76, 0.80, 24.39 ppm; 4.44 A): 3 out of 6 assignments used, quality = 0.92: HZ PHE 107 + QD1 LEU 111 OK 84 98 - 86 - 2.2/7890=27, 3.8/7889=17...(22) H VAL 110 + QD1 LEU 111 OK 38 68 - 56 - 4.7/1342=12, 4.0/8164=12...(14) HE21 GLN 42 + QD1 LEU 111 OK 24 100 - 24 - 7897/4.0=3, 7885/3.1=3...(9) QE TYR 67 - QD1 LEU 111 OK 22 71 - 32 - 2.2/7889=7, 560/4.7=4...(10) H LEU 27 - QD1 LEU 111 OK 22 99 - 22 - 876/3.1=4, 4.0/5020=2...(11) HD22 ASN 99 - QD1 LEU 111 OK 11 100 - 11 - 4620/7889=1, 4852/7890=1...(5) Peak 7892 from cnoeabs.peaks (7.20, 0.73, 24.77 ppm; 4.23 A): 3 out of 18 assignments used, quality = 0.94: QD PHE 107 + QD2 LEU 111 OK 80 99 - 82 - 7889/2.1=22, ~7890=16...(17) QD PHE 107 + HG LEU 111 OK 59 72 - 82 - 7889/2.1=22, ~7890=16...(17) QD TYR 67 + QD2 LEU 111 OK 27 100 - 27 - 7889/2.1=7, 8158/3.1=4...(8) QD TYR 67 - HG LEU 111 OK 20 75 - 27 - 7889/2.1=7, 8158/3.0=4...(8) H LYS 65 - QD2 LEU 111 OK 18 87 - 20 - 7165/2.1=4, 7889/2.1=4...(5) H LYS 65 - HG LEU 111 OK 14 59 - 23 - 7889/2.1=4, 7165=3...(6) QE PHE 40 - QD2 LEU 111 OK 12 73 - 16 - 4830/2.1=5, ~4668=2...(5) QD PHE 107 - QD2 LEU 93 OK 12 74 - 16 - 2.2/7893=2, ~4792=2...(4) HE ARG 81 - QD2 LEU 111 OK 11 93 - 12 - 7889/2.1=3, 4854/7893=1...(5) H LYS 65 - QD2 LEU 93 poor 8 61 - 14 - 7165=2, 3.0/7166=2 HE ARG 81 - HG LEU 111 poor 8 66 - 12 - 7889/2.1=2, 6.3/7433=1 QE PHE 40 - HG LEU 111 poor 8 48 - 16 - 4830/2.1=5, ~4668=2...(5) QD TYR 102 - QD2 LEU 111 poor 7 65 - 11 - 4735/4.7=4, 4744/3.1=1 QD TYR 102 - HG LEU 111 lone 4 42 - 10 - 4735/5.3=4, 4744/3.0=1 QD TYR 67 - QD2 LEU 93 lone 4 77 - 5 - HE ARG 81 - QD2 LEU 93 lone 4 67 - 5 - 6.3/7433=1 QE PHE 40 - QD2 LEU 93 lone 3 49 - 7 - ~4505=1 QD TYR 102 - QD2 LEU 93 lone 2 43 - 4 - Peak 7893 from cnoeabs.peaks (6.98, 0.73, 24.77 ppm; 3.65 A): 2 out of 12 assignments used, quality = 0.94: QE PHE 107 + QD2 LEU 111 OK 83 100 - 83 - 7890/2.1=21, 4796=14...(22) QE PHE 107 + HG LEU 111 OK 63 76 - 83 - 7890/2.1=20, 4796=14...(24) H LEU 101 - QD2 LEU 111 OK 16 92 - 18 - 7890/2.1=5, 7886/3.1=3...(4) HD22 ASN 108 - QD2 LEU 111 OK 15 96 - 16 - 7890/2.1=5, 7886/3.1=3...(5) QE PHE 107 - QD2 LEU 93 OK 13 77 - 17 - 4796=3, 4792/3.1=2...(4) H LEU 101 - HG LEU 111 OK 11 64 - 17 - 7890/2.1=5, 7886/3.0=3 HD22 ASN 108 - HG LEU 111 OK 11 68 - 16 - 7890/2.1=5, 7886/3.0=3...(5) H LEU 101 - QD2 LEU 93 lone 4 66 - 6 - HD22 ASN 108 - QD2 LEU 93 lone 2 70 - 3 - HD22 ASN 12 - QD2 LEU 111 lone 2 63 - 3 - HD22 ASN 12 - HG LEU 111 lone 1 40 - 3 - HD22 ASN 12 - QD2 LEU 93 lone 1 41 - 1 - Peak 7894 from cnoeabs.peaks (6.76, 0.73, 24.77 ppm; 4.13 A): 3 out of 18 assignments used, quality = 0.94: HZ PHE 107 + QD2 LEU 111 OK 81 98 - 82 - 4779=17, ~7890=16...(17) HZ PHE 107 + HG LEU 111 OK 59 72 - 83 - 4779=16, ~7890=15...(18) H VAL 110 + QD2 LEU 111 OK 30 68 - 44 - 7884/3.1=10, 1513/4.7=9...(10) H VAL 110 - HG LEU 111 OK 19 44 - 44 - 7884/3.0=10, 1513/5.3=7...(9) QE TYR 67 - QD2 LEU 111 OK 19 71 - 26 - ~7889=4, 7891/2.1=4...(9) HE21 GLN 42 - QD2 LEU 111 OK 17 100 - 17 - 7891/2.1=4, 7897/4.0=3...(6) H LEU 27 - QD2 LEU 111 OK 16 99 - 16 - 7891/2.1=4, 876/3.1=3...(5) HE21 GLN 42 - HG LEU 111 OK 13 76 - 18 - 7891/2.1=4, 7897/4.3=2...(5) QE TYR 67 - HG LEU 111 OK 12 46 - 27 - ~7889=4, 7891/2.1=4...(10) H LEU 27 - HG LEU 111 OK 12 74 - 16 - 7891/2.1=4, 876/3.0=4...(5) HD22 ASN 99 - QD2 LEU 111 lone 10 100 - 10 - 5.5/7673=2, 7891/2.1=2 HZ PHE 107 - QD2 LEU 93 poor 9 73 - 13 - 2.2/7893=2, 4779=2, ~4792=2 HD22 ASN 99 - HG LEU 111 lone 7 76 - 9 - 5.5/7673=2, 7891/2.1=2 H LEU 27 - QD2 LEU 93 lone 6 75 - 8 - 876/3.1=2 H VAL 110 - QD2 LEU 93 poor 6 45 - 12 - 4.7/1341=2, 4.0/8165=2 HE21 GLN 42 - QD2 LEU 93 lone 3 77 - 4 - QE TYR 67 - QD2 LEU 93 lone 2 47 - 4 - HD22 ASN 99 - QD2 LEU 93 lone 2 77 - 2 - Peak 7895 from cnoeabs.peaks (8.85, 0.80, 24.39 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.84: H ALA 14 + QD1 LEU 111 OK 70 99 - 71 - 3.0/7902=19, 6294/2.1=13...(14) H ASN 108 + QD1 LEU 111 OK 46 95 - 49 - 4.5/7889=14, 3.6/7902=7...(14) H VAL 50 - QD1 LEU 111 lone 5 99 - 5 - Peak 7896 from cnoeabs.peaks (8.84, 0.73, 24.77 ppm; 4.27 A): 4 out of 9 assignments used, quality = 0.94: H ALA 14 + QD2 LEU 111 OK 72 99 - 73 - 7895/2.1=17, 6294/2.1=13...(16) H ALA 14 + HG LEU 111 OK 54 73 - 74 - 7895/2.1=17, 6294=15...(16) H ASN 108 + QD2 LEU 111 OK 37 100 - 37 - 7895/2.1=11, 4.5/7892=6...(13) H ASN 108 + HG LEU 111 OK 28 76 - 37 - 7895/2.1=11, 4.5/7892=4...(11) H ALA 14 - QD2 LEU 93 OK 17 75 - 22 - 6294=4, 2.9/6305=3...(8) H VAL 50 - QD2 LEU 111 lone 4 98 - 4 - 7895/2.1=1 H ASN 108 - QD2 LEU 93 lone 4 77 - 5 - H VAL 50 - HG LEU 111 lone 4 72 - 5 - 7895/2.1=1 H VAL 50 - QD2 LEU 93 lone 2 73 - 3 - Peak 7897 from cnoeabs.peaks (6.77, 3.61, 57.62 ppm; 5.17 A): 4 out of 7 assignments used, quality = 0.96: HZ PHE 107 + HA LEU 111 OK 71 89 - 80 - 4777/3.0=17, ~7888=15...(15) H VAL 110 + HA LEU 111 OK 65 87 - 75 - 1513/2.9=22, 4.0/7916=21...(11) HE21 GLN 42 + HA LEU 111 OK 38 99 - 38 - 4.4/6013=7, 1754/3.6=6...(11) QE TYR 67 + HA LEU 111 OK 33 89 - 38 - 560/2.9=8, 7885/3.0=5...(10) H LEU 27 - HA LEU 111 OK 21 93 - 22 - 876/3.0=4, 7891/4.0=4...(7) HH2 TRP 20 - HA LEU 111 OK 20 78 - 26 - 560/2.9=6, 1754/3.6=4...(9) HD22 ASN 99 - HA LEU 111 OK 13 98 - 13 - 7891/4.0=2, 7885/3.0=2...(6) Peak 7898 from cnoeabs.peaks (8.00, 0.80, 24.39 ppm; 4.15 A): 4 out of 5 assignments used, quality = 0.79: H THR 17 + QD1 LEU 111 OK 56 100 - 57 - 4.8/8162=20, 4.0/8166=18...(10) H THR 116 + QD1 LEU 111 OK 25 81 - 31 - 3.6/5019=7, 6328/3.1=4...(11) H LEU 114 + QD1 LEU 111 OK 22 71 - 31 - 6219/4.0=5, 1358/2.1=3...(12) H THR 19 + QD1 LEU 111 OK 19 81 - 23 - 49/3.1=5, 4.3/5021=4...(8) HE ARG 85 - QD1 LEU 111 lone 7 92 - 7 - 8708/7890=2 Peak 7899 from cnoeabs.peaks (3.87, 1.39, 40.93 ppm; 4.66 A): 6 out of 11 assignments used, quality = 0.80: HB2 SER 13 + HB2 LEU 111 OK 33 100 - 34 - 7901/3.1=9, ~6290=7...(7) HB3 SER 112 + HB2 LEU 111 OK 32 87 - 37 - 3.9/5881=17, 7901/3.1=6...(9) HB2 SER 112 + HB2 LEU 111 OK 31 83 - 37 - 3.9/5881=17, 7901/3.1=6...(9) HB2 SER 35 + HB2 LEU 111 OK 16 90 - 18 - 7901/3.1=4, ~6290=3...(7) HB THR 95 + HB2 LEU 111 OK 13 89 - 14 - 7624/3.0=3, 7624/3.1=3...(4) HA GLU 15 + HB2 LEU 111 OK 11 76 - 14 - 6319/1.8=4, 7901/3.1=2 HA THR 33 - HB2 LEU 111 lone 8 96 - 9 - 7901/3.1=2, ~132=1 HB3 ASN 79 - HB2 LEU 111 lone 8 97 - 8 - 7373/3.0=2, 7901/3.1=1 HA ARG 53 - HB2 LEU 111 lone 8 92 - 9 - ~6962=2, 7901/3.1=2, 7905/3.1=1 HB THR 33 - HB2 LEU 111 lone 7 97 - 7 - 7901/3.1=1 HA3 GLY 104 - HB2 LEU 111 lone 2 89 - 2 - Peak 7900 from cnoeabs.peaks (3.76, 0.80, 24.39 ppm; 3.96 A): 5 out of 11 assignments used, quality = 0.86: HA GLU 38 + QD1 LEU 111 OK 48 100 - 48 - 4.0/6713=9, 4.0/6713=9...(14) HB3 SER 13 + QD1 LEU 111 OK 41 100 - 42 - 4.5/7895=11, 6291=11...(7) HD2 PRO 30 + QD1 LEU 111 OK 25 99 - 25 - 6596=6, 1.8/6599=3...(8) HA CYS 87 + QD1 LEU 111 OK 25 100 - 25 - 7535/2.1=4, 7535/2.1=4...(9) HB3 SER 35 + QD1 LEU 111 OK 19 100 - 19 - 6291=5, 6290/2.1=5...(6) HB3 SER 90 - QD1 LEU 111 lone 6 65 - 9 - 3.8/5018=2, ~7576=2, 4.4/1220=2 HA LEU 54 - QD1 LEU 111 lone 6 95 - 6 - HB2 SER 72 - QD1 LEU 111 lone 3 90 - 3 - HB3 SER 74 - QD1 LEU 111 lone 3 81 - 3 - HA GLU 73 - QD1 LEU 111 lone 3 89 - 3 - HB2 SER 74 - QD1 LEU 111 lone 3 78 - 3 - Peak 7901 from cnoeabs.peaks (3.87, 0.80, 24.39 ppm; 4.22 A): 6 out of 11 assignments used, quality = 0.83: HB2 SER 13 + QD1 LEU 111 OK 44 100 - 44 - 4.5/7895=12, 6292=10...(8) HB3 SER 112 + QD1 LEU 111 OK 30 87 - 35 - 3.9/570=12, 7899/3.1=5...(10) HB2 SER 112 + QD1 LEU 111 OK 28 83 - 34 - 3.9/570=12, 7899/3.1=5...(10) HB2 SER 35 + QD1 LEU 111 OK 18 90 - 20 - 1.8/7900=4, 6292=4...(7) HB THR 95 + QD1 LEU 111 OK 13 89 - 15 - 7624/2.1=3, 7624/2.1=3...(6) HA GLU 15 + QD1 LEU 111 OK 12 76 - 16 - 6319/3.1=3, 7899/3.1=2...(5) HA THR 33 - QD1 LEU 111 poor 10 96 - 10 - 6292=3, 7899/3.1=1, 8184/6652=1 HA ARG 53 - QD1 LEU 111 lone 8 92 - 9 - ~6962=2, 7899/3.1=1...(4) HB THR 33 - QD1 LEU 111 lone 7 97 - 7 - 3.0/6292=2, 7899/3.1=1 HB3 ASN 79 - QD1 LEU 111 lone 6 97 - 6 - 7899/3.1=1, 7373/4.0=1 HA3 GLY 104 - QD1 LEU 111 lone 2 89 - 2 - Peak 7902 from cnoeabs.peaks (4.03, 0.80, 24.39 ppm; 3.37 A): 4 out of 7 assignments used, quality = 0.79: HA ALA 14 + QD1 LEU 111 OK 60 99 - 61 - 6298/2.1=11, 3.0/7895=11...(15) HA PHE 107 + QD1 LEU 111 OK 27 81 - 34 - 3.7/7889=10, 5.6/7890=6...(7) HA GLN 16 + QD1 LEU 111 OK 18 100 - 18 - 3.6/7898=8, 3.0/7909=2...(6) HD3 PRO 37 + QD1 LEU 111 OK 11 90 - 13 - 3.6/7903=2, 3.0/7908=2...(4) HA LYS 109 - QD1 LEU 111 poor 7 71 - 10 - 3.6/7891=3, 6204/4.7=3 HA LEU 55 - QD1 LEU 111 lone 4 60 - 7 - HA TYR 102 - QD1 LEU 111 lone 3 85 - 4 - 1748/4.7=1 Peak 7903 from cnoeabs.peaks (4.14, 0.80, 24.39 ppm; 3.77 A): 8 out of 14 assignments used, quality = 0.88: HA ASN 108 + QD1 LEU 111 OK 37 100 - 37 - 3.0/7895=9, 6199/3.1=6...(9) HA ALA 98 + QD1 LEU 111 OK 29 99 - 29 - 6199/3.1=5, 6201/3.1=5...(7) HA ILE 63 + QD1 LEU 111 OK 27 100 - 27 - 3501/2.1=5, 6200/3.1=3...(9) HB2 SER 113 + QD1 LEU 111 OK 26 97 - 26 - 1.8/8160=4, 7933/2.1=4...(10) HA PRO 37 + QD1 LEU 111 OK 21 100 - 21 - 6672/3.1=3, 3.6/7902=2...(9) HA ILE 124 + QD1 LEU 111 OK 16 100 - 16 - 6200/3.1=3, 5339/3.1=2...(5) HB3 SER 78 + QD1 LEU 111 OK 15 90 - 17 - 6097/4.0=3, 1.8/8160=3...(5) HA GLU 28 + QD1 LEU 111 OK 13 92 - 15 - 6563=4, 3.6/6570=2, 6200/3.1=1 HA SER 78 - QD1 LEU 111 poor 9 71 - 13 - 3.0/8160=2, 6200/3.1=1...(4) HA PHE 83 - QD1 LEU 111 lone 9 100 - 9 - ~7466=1, 6200/3.1=1 HA ARG 57 - QD1 LEU 111 poor 6 60 - 11 - 3.6/5018=2, 3.0/7909=1 HA GLU 56 - QD1 LEU 111 lone 4 68 - 6 - ~7030=1 HB3 SER 72 - QD1 LEU 111 lone 3 100 - 3 - HA3 GLY 25 - QD1 LEU 111 lone 1 60 - 2 - Peak 7904 from cnoeabs.peaks (3.75, 0.73, 24.77 ppm; 3.91 A): 6 out of 33 assignments used, quality = 0.94: HA CYS 87 + QD2 LEU 93 OK 51 77 - 67 - ~8523=11, 7535=11...(22) HA GLU 38 + QD2 LEU 111 OK 43 100 - 43 - 7900/2.1=9, 6709/2.1=6...(13) HB3 SER 13 + QD2 LEU 111 OK 36 98 - 37 - 6290/2.1=9, 7900/2.1=8...(8) HA GLU 38 + HG LEU 111 OK 32 75 - 42 - 7900/2.1=9, 6709=6...(15) HA CYS 87 + QD2 LEU 111 OK 32 100 - 32 - 7535=5, 7900/2.1=5...(11) HB3 SER 90 + QD2 LEU 93 OK 30 53 - 56 - ~8526=12, 7579/2.1=10...(11) HB3 SER 13 - HG LEU 111 OK 25 72 - 34 - 7900/2.1=8, 6290=6...(8) HA CYS 87 - HG LEU 111 OK 24 76 - 32 - 7535=5, 7900/2.1=5...(10) HA GLU 38 - QD2 LEU 93 OK 19 77 - 24 - 6709=4, 6707/3.1=3...(11) HB3 SER 35 - QD2 LEU 111 OK 18 100 - 18 - 6290/2.1=4, 7900/2.1=4...(6) HD2 PRO 30 - QD2 LEU 111 OK 16 97 - 16 - 7900/2.1=5, ~6599=2...(5) HB3 SER 35 - HG LEU 111 OK 13 75 - 17 - 7900/2.1=4, 6290=3...(7) HB3 SER 35 - QD2 LEU 93 OK 11 77 - 14 - 6290=3, 6291/2.1=2...(5) HD2 PRO 30 - HG LEU 111 OK 11 70 - 16 - 7900/2.1=5, ~6599=2...(5) HB3 SER 90 - QD2 LEU 111 poor 9 78 - 11 - 1.8/7576=2, 4.4/1221=2...(5) HA LEU 54 - QD2 LEU 111 lone 7 99 - 7 - 7900/2.1=1 HB3 SER 13 - QD2 LEU 93 lone 7 73 - 9 - 4.5/6294=2, 6290=2, 6291/2.1=1 HB3 SER 90 - HG LEU 111 poor 6 52 - 12 - 1.8/7576=2, 4.4/1221=2...(5) HD2 PRO 30 - QD2 LEU 93 lone 6 71 - 8 - 6596/2.1=1 HA LEU 54 - HG LEU 111 lone 4 72 - 6 - 7900/2.1=1 HA GLU 73 - QD2 LEU 111 lone 3 96 - 3 - HB2 SER 72 - QD2 LEU 111 lone 3 81 - 3 - HA LEU 54 - QD2 LEU 93 lone 3 74 - 3 - HB3 SER 74 - QD2 LEU 111 lone 2 68 - 3 - HB2 SER 74 - QD2 LEU 111 lone 2 65 - 3 - HA GLU 73 - HG LEU 111 lone 2 68 - 2 - HB2 SER 72 - HG LEU 111 lone 2 54 - 3 - HB3 SER 74 - HG LEU 111 lone 1 44 - 3 - HB2 SER 74 - HG LEU 111 lone 1 42 - 3 - HA GLU 73 - QD2 LEU 93 lone 1 70 - 2 - HB2 SER 72 - QD2 LEU 93 lone 1 55 - 1 - HB3 SER 74 - QD2 LEU 93 lone 1 45 - 1 - HB2 SER 74 - QD2 LEU 93 lone 1 43 - 1 - Peak 7905 from cnoeabs.peaks (3.87, 0.73, 24.77 ppm; 4.05 A): 13 out of 33 assignments used, quality = 0.93: HB2 SER 13 + QD2 LEU 111 OK 36 100 - 36 - 7901/2.1=8, ~6290=7...(8) HB3 SER 112 + QD2 LEU 111 OK 28 87 - 33 - 3.9/571=7, 7901/2.1=6...(10) HB2 SER 112 + QD2 LEU 111 OK 27 83 - 32 - 3.9/571=7, 3.0/7906=5...(10) HB2 SER 13 + HG LEU 111 OK 25 76 - 34 - 7901/2.1=8, 4.5/6294=6...(7) HB3 SER 112 + HG LEU 111 OK 19 59 - 32 - 1347/4.9=8, 7901/2.1=6...(9) HB2 SER 112 + HG LEU 111 OK 18 56 - 32 - 1347/4.9=8, 7901/2.1=5...(9) HB2 SER 35 + QD2 LEU 111 OK 16 90 - 18 - 7901/2.1=3, ~6290=3...(6) HB THR 95 + QD2 LEU 111 OK 15 89 - 17 - 7624=3, 7624/2.1=3...(7) HB THR 95 + QD2 LEU 93 OK 12 62 - 20 - 7624=4, 2.1/7627=4...(7) HA ARG 53 + QD2 LEU 93 OK 12 66 - 18 - 3.0/6962=6, ~5806=3...(5) HB THR 95 + HG LEU 111 OK 10 61 - 17 - 7624=3, 7624/2.1=3...(7) HB2 SER 35 + HG LEU 111 OK 10 63 - 16 - 7901/2.1=3, 1.8/6290=3...(6) HA ARG 53 + QD2 LEU 111 OK 10 92 - 11 - 3.0/6962=2, ~6962=2...(4) HA GLU 15 - QD2 LEU 111 poor 8 76 - 11 - 6319/3.1=2, 7901/2.1=2 HB2 SER 35 - QD2 LEU 93 poor 8 64 - 12 - 1.8/6290=2, ~6291=2...(4) HA ARG 53 - HG LEU 111 poor 7 64 - 11 - 3.0/6962=3, 7901/2.1=2...(4) HA THR 33 - QD2 LEU 111 lone 6 96 - 6 - 7901/2.1=2, 7899/3.1=1 HA GLU 15 - HG LEU 111 poor 6 50 - 12 - 6319/3.0=2, 7901/2.1=2...(5) HB2 SER 13 - QD2 LEU 93 lone 6 77 - 7 - 4.5/6294=2, 1.8/6290=1 HB THR 33 - QD2 LEU 111 lone 6 97 - 6 - 7901/2.1=1 HB3 ASN 79 - QD2 LEU 111 lone 5 97 - 5 - 7899/3.1=1, 7373/4.0=1 HA THR 33 - HG LEU 111 lone 5 68 - 7 - 7901/2.1=2, 7899/3.0=1 HB3 SER 112 - QD2 LEU 93 lone 4 61 - 7 - 3.9/569=2, ~7918=1 HB3 ASN 79 - HG LEU 111 lone 4 70 - 6 - 7899/3.0=1, 7373/4.3=1 HB THR 33 - HG LEU 111 lone 4 70 - 6 - 7901/2.1=1 HB2 SER 112 - QD2 LEU 93 lone 4 57 - 7 - 3.9/569=2, ~7918=1 HA GLU 15 - QD2 LEU 93 lone 2 51 - 4 - HB3 ASN 79 - QD2 LEU 93 lone 2 71 - 2 - HA3 GLY 104 - QD2 LEU 111 lone 1 89 - 2 - HA THR 33 - QD2 LEU 93 lone 1 70 - 2 - HA3 GLY 104 - HG LEU 111 lone 1 61 - 2 - HB THR 33 - QD2 LEU 93 lone 1 71 - 1 - HA3 GLY 104 - QD2 LEU 93 lone 0 62 - 1 - Peak 7906 from cnoeabs.peaks (4.04, 0.73, 24.77 ppm; 3.53 A): 6 out of 21 assignments used, quality = 0.91: HA ALA 14 + QD2 LEU 111 OK 55 90 - 61 - 6298/2.1=11, 2.1/6305=10...(16) HA SER 112 + QD2 LEU 111 OK 43 81 - 53 - 3.0/571=6, ~570=6...(20) HA ALA 14 + HG LEU 111 OK 37 63 - 60 - 6298=12, 2.1/6305=11...(15) HA SER 112 + HG LEU 111 OK 27 54 - 50 - 3.0/569=7, ~570=6...(20) HA LEU 55 + QD2 LEU 93 OK 12 59 - 20 - 7000/4.7=3, 7012/2.1=2...(6) HD3 PRO 37 + QD2 LEU 111 OK 11 99 - 11 - ~6683=1, ~6677=1 HA ALA 14 - QD2 LEU 93 poor 10 64 - 15 - 6298=3, 2.1/6305=3...(5) HA LEU 55 - QD2 LEU 111 poor 9 85 - 11 - 7011/3.1=2, 1748/4.7=1, 7007=1 HA LYS 109 - QD2 LEU 111 lone 9 92 - 10 - 6204/4.7=4, 3.6/7894=2 HA GLN 16 - QD2 LEU 111 lone 8 100 - 8 - 6341/6336=1, ~7909=1 HD3 PRO 37 - HG LEU 111 poor 8 74 - 10 - ~6683=1, ~6677=1 HA LYS 109 - HG LEU 111 poor 7 64 - 11 - 6205/4.9=4, 6204/5.3=3 HA LEU 55 - HG LEU 111 poor 7 58 - 12 - 7011/3.0=2, 3.6/7030=1...(5) HA GLN 16 - HG LEU 111 lone 5 75 - 7 - ~7909=1 HA TYR 102 - QD2 LEU 111 lone 5 98 - 5 - 1748/4.7=2 HA SER 112 - QD2 LEU 93 lone 5 55 - 8 - 3.0/569=2, 7918/2.1=2 HA TYR 102 - HG LEU 111 lone 3 72 - 4 - 1748/5.3=1 HA LYS 109 - QD2 LEU 93 lone 3 66 - 5 - HD3 PRO 37 - QD2 LEU 93 lone 3 75 - 3 - HA GLN 16 - QD2 LEU 93 lone 2 76 - 2 - HA TYR 102 - QD2 LEU 93 lone 2 73 - 2 - Peak 7907 from cnoeabs.peaks (4.15, 0.73, 24.77 ppm; 4.40 A): 6 out of 36 assignments used, quality = 0.95: HA ASN 108 + QD2 LEU 111 OK 47 100 - 47 - 6199/3.1=8, 6201/3.1=8...(10) HA ALA 98 + QD2 LEU 111 OK 46 97 - 47 - 6199/3.1=7, 6201/3.1=6...(11) HB2 SER 113 + QD2 LEU 111 OK 39 100 - 39 - 7933=6, 7903/2.1=5...(13) HA ILE 63 + QD2 LEU 111 OK 39 97 - 40 - 3501/2.1=6, 7903/2.1=5...(17) HA ASN 108 + HG LEU 111 OK 36 75 - 49 - 6199/3.0=8, 6201/3.0=8...(11) HA ALA 98 + HG LEU 111 OK 34 70 - 49 - 6199/3.0=7, 6201/3.0=7...(12) HA ILE 63 - HG LEU 111 OK 30 71 - 43 - 7903/2.1=5, 3501=4...(20) HB2 SER 113 - HG LEU 111 OK 28 75 - 38 - 7933/2.1=5, 7903/2.1=5...(13) HA PRO 37 - QD2 LEU 111 OK 24 100 - 24 - 6672/3.1=4, 7903/2.1=4...(8) HA ILE 124 - QD2 LEU 111 OK 22 99 - 22 - 6200/3.1=3, 7903/2.1=3...(10) HB2 SER 113 - QD2 LEU 93 OK 19 76 - 25 - ~8525=6, 7932/2.1=6...(7) HA PRO 37 - HG LEU 111 OK 19 75 - 25 - 6672/3.0=5, 7903/2.1=4...(8) HB3 SER 78 - QD2 LEU 111 OK 18 81 - 22 - 6097/4.0=3, 7903/2.1=3...(7) HA ILE 124 - HG LEU 111 OK 17 73 - 23 - 6200/3.0=4, 7903/2.1=3...(11) HA PHE 83 - QD2 LEU 111 OK 16 100 - 16 - 3.6/1189=3, ~7466=2...(7) HA SER 78 - QD2 LEU 111 OK 16 83 - 19 - 6200/3.1=2, 7903/2.1=2...(10) HA ILE 124 - QD2 LEU 93 OK 14 75 - 19 - ~8115=4, ~7601=2...(7) HA PHE 83 - HG LEU 111 OK 14 76 - 18 - 3.6/1189=4, 3.0/7466=2...(5) HA GLU 28 - QD2 LEU 111 OK 14 97 - 14 - 6563/2.1=5, 6200/3.1=2...(4) HA ILE 63 - QD2 LEU 93 OK 13 72 - 18 - 3.0/1069=2, 3501=2...(8) HA PHE 83 - QD2 LEU 93 OK 13 77 - 17 - 8354/2.1=4, 3.6/1189=3...(5) HB3 SER 78 - HG LEU 111 OK 12 54 - 22 - 6097/4.3=3, 7903/2.1=3...(9) HA SER 78 - HG LEU 111 OK 11 56 - 20 - 6200/3.0=2, 7903/2.1=2...(8) HA GLU 28 - HG LEU 111 OK 10 71 - 15 - 6563/2.1=5, 6200/3.0=2...(4) HA ALA 98 - QD2 LEU 93 poor 9 71 - 13 - 3.0/7661=2, 2.1/7666=2...(5) HA PRO 37 - QD2 LEU 93 poor 9 76 - 11 - 6699/4.7=3, 6671/3.1=1 HA GLU 56 - QD2 LEU 111 poor 8 81 - 10 - ~7030=2, 2.9/7030=2 HA GLU 56 - HG LEU 111 poor 7 54 - 13 - 2.9/7030=2, ~7030=1 HA GLU 56 - QD2 LEU 93 poor 6 55 - 11 - 2.9/7030=3, ~256=1...(4) HA ASN 108 - QD2 LEU 93 lone 5 76 - 7 - HB3 SER 72 - QD2 LEU 111 lone 5 98 - 5 - HA GLU 28 - QD2 LEU 93 lone 5 72 - 6 - 6563/2.1=2 HB3 SER 72 - HG LEU 111 lone 3 72 - 4 - HA SER 78 - QD2 LEU 93 lone 2 57 - 3 - HB3 SER 78 - QD2 LEU 93 lone 2 55 - 3 - HB3 SER 72 - QD2 LEU 93 lone 1 73 - 2 - Peak 7908 from cnoeabs.peaks (2.24, 0.80, 24.39 ppm; 3.91 A): 7 out of 14 assignments used, quality = 0.92: HG2 GLU 38 + QD1 LEU 111 OK 55 100 - 55 - 6713=18, 1.8/6713=14...(12) HG3 GLU 38 + QD1 LEU 111 OK 55 100 - 55 - 6713=18, 1.8/6713=14...(12) HB3 LEU 117 + QD1 LEU 111 OK 26 99 - 26 - 8010/2.1=3, 8010/2.1=3...(11) HB3 PRO 37 + QD1 LEU 111 OK 16 71 - 22 - 2.3/7903=3, 3.0/7902=3...(9) HB2 PRO 70 + QD1 LEU 111 OK 14 100 - 14 - 3.0/5019=3, 3815/4.0=2...(4) HG3 GLU 64 + QD1 LEU 111 OK 13 100 - 13 - 3.0/7910=2, 3.0/7910=2...(4) HB2 CYS 87 + QD1 LEU 111 OK 13 60 - 21 - 3.0/7900=4, ~8522=3...(8) HG3 GLU 15 - QD1 LEU 111 lone 8 97 - 8 - 4.1/7901=1, 8191/7902=1 HG2 GLU 56 - QD1 LEU 111 lone 7 99 - 7 - 7025/2.1=2, ~7026=2 HG3 GLU 28 - QD1 LEU 111 lone 7 99 - 7 - 4.0/6563=3 HG2 GLU 28 - QD1 LEU 111 lone 7 97 - 7 - 4.0/6563=3 HG2 GLU 94 - QD1 LEU 111 lone 4 100 - 4 - HB2 PRO 68 - QD1 LEU 111 lone 3 99 - 3 - HG3 GLU 94 - QD1 LEU 111 lone 2 60 - 3 - Peak 7909 from cnoeabs.peaks (2.08, 0.80, 24.39 ppm; 4.27 A): 5 out of 16 assignments used, quality = 0.90: HB3 GLU 38 + QD1 LEU 111 OK 47 92 - 51 - 3.0/6713=12, 3.0/6713=12...(14) HB2 LEU 114 + QD1 LEU 111 OK 40 99 - 40 - 6220/4.0=8, 5069/2.1=6...(12) HB ILE 63 + QD1 LEU 111 OK 35 97 - 36 - 3508/2.1=4, 3.0/7903=4...(15) HB2 GLN 16 + QD1 LEU 111 OK 30 100 - 30 - 4.1/7898=11, 3.0/7902=5...(7) HB3 GLN 16 + QD1 LEU 111 OK 30 100 - 30 - 4.1/7898=11, 3.0/7902=5...(7) HB2 ARG 57 - QD1 LEU 111 OK 17 100 - 17 - 4.2/5018=3, 6220/4.0=2...(4) HG2 GLU 64 - QD1 LEU 111 OK 16 100 - 16 - 1.8/7908=2, 3.0/7910=2...(5) HG3 PRO 37 - QD1 LEU 111 OK 14 71 - 20 - 2.3/7902=4, 3.8/7903=3...(7) HB2 GLU 15 - QD1 LEU 111 OK 13 96 - 14 - 3.0/7901=2, ~6319=1...(5) HG LEU 21 - QD1 LEU 111 OK 13 99 - 13 - 6339/8166=2, 6342/8160=1...(5) HB2 LEU 101 - QD1 LEU 111 OK 11 71 - 15 - 4.0/7890=5, 4651/7890=2...(7) HB3 PRO 70 - QD1 LEU 111 OK 11 60 - 18 - 3.0/5019=3, 1.8/7908=3...(5) HB3 ARG 81 - QD1 LEU 111 poor 9 76 - 12 - ~7433=2, ~7439=2...(4) HG3 GLU 69 - QD1 LEU 111 lone 5 90 - 5 - HB2 GLN 105 - QD1 LEU 111 lone 3 100 - 3 - HG3 PRO 60 - QD1 LEU 111 lone 3 60 - 4 - Peak 7910 from cnoeabs.peaks (1.95, 0.80, 24.39 ppm; 4.51 A): 9 out of 15 assignments used, quality = 0.90: HB2 GLU 38 + QD1 LEU 111 OK 53 99 - 54 - 3.0/6713=14, 3.0/6713=14...(14) HG LEU 58 + QD1 LEU 111 OK 23 92 - 25 - 2.1/8420=4, 5.0/5018=2...(9) HB3 PRO 30 + QD1 LEU 111 OK 23 100 - 22 - 3.0/7900=5, 8033=4...(6) HB3 LYS 119 + QD1 LEU 111 OK 22 100 - 22 - 8033=4, 2.9/8166=3...(7) HB2 GLU 64 + QD1 LEU 111 OK 19 97 - 20 - 4.6/7889=2, 7158/2.1=2...(6) HB3 GLU 64 + QD1 LEU 111 OK 19 96 - 20 - 4.6/7889=2, 7158/2.1=2...(6) HB2 LYS 109 + QD1 LEU 111 OK 13 97 - 13 - 4.6/7891=4, 2.9/7902=2 HB ILE 80 + QD1 LEU 111 OK 12 71 - 17 - ~7402=4, ~8379=2, 3.0/5019=2 HB2 LEU 21 + QD1 LEU 111 OK 11 81 - 14 - 4.6/854=5, ~6405=2...(4) HB2 ARG 85 - QD1 LEU 111 lone 10 100 - 10 - 6725/7890=1, 5.0/7898=1 HB3 ARG 85 - QD1 LEU 111 lone 10 100 - 10 - 6725/7890=1, 5.0/7898=1 HB3 GLU 94 - QD1 LEU 111 lone 7 99 - 7 - HB3 GLU 69 - QD1 LEU 111 lone 6 100 - 6 - 4.8/5019=2 HG LEU 45 - QD1 LEU 111 lone 6 73 - 8 - 4788/7890=1, 6841/8164=1 HB2 ARG 71 - QD1 LEU 111 lone 2 68 - 4 - Peak 7911 from cnoeabs.peaks (1.46, 0.80, 24.39 ppm; 3.34 A): 6 out of 17 assignments used, quality = 0.90: QB ALA 14 + QD1 LEU 111 OK 64 100 - 64 - 2.1/7902=15, 2.9/7895=10...(16) HB2 LEU 93 + QD1 LEU 111 OK 40 100 - 40 - 1.8/5020=6, 4482/2.1=4...(17) HG LEU 91 + QD1 LEU 111 OK 26 71 - 36 - 2.1/5024=4, 3.0/4391=3...(22) HG LEU 93 + QD1 LEU 111 OK 21 63 - 33 - 3.0/5020=4, 2.1/5022=3...(18) HB3 LEU 58 + QD1 LEU 111 OK 11 76 - 15 - 3.1/8420=2, 3.0/7910=2...(4) HG2 LYS 119 + QD1 LEU 111 OK 11 100 - 11 - 1.8/8166=3, 2.9/7910=2 HG LEU 24 - QD1 LEU 111 lone 8 93 - 9 - 3.0/5021=2, 2218/3.1=1 HB3 GLU 75 - QD1 LEU 111 lone 7 93 - 8 - 3.0/5019=1 HD2 LYS 46 - QD1 LEU 111 lone 7 99 - 7 - 2.9/8166=1, 2.9/8166=1 HG3 LYS 31 - QD1 LEU 111 lone 7 100 - 7 - 1.8/8166=1 HB3 LEU 101 - QD1 LEU 111 lone 6 71 - 8 - 4.0/7890=3 HG3 ARG 57 - QD1 LEU 111 lone 5 100 - 5 - 3.0/7909=1 HG2 LYS 109 - QD1 LEU 111 lone 4 90 - 4 - 3.7/7902=1 QB ALA 89 - QD1 LEU 111 lone 4 73 - 5 - 3.6/5018=1 HB3 LEU 45 - QD1 LEU 111 lone 3 93 - 3 - HD2 LYS 65 - QD1 LEU 111 lone 2 81 - 3 - HD3 LYS 65 - QD1 LEU 111 lone 2 81 - 3 - Peak 7912 from cnoeabs.peaks (1.95, 0.73, 24.77 ppm; 4.56 A): 7 out of 48 assignments used, quality = 0.92: HB2 GLU 38 + QD2 LEU 111 OK 51 97 - 53 - ~6713=9, 7910/2.1=8...(16) HB2 GLU 38 + HG LEU 111 OK 36 70 - 52 - ~6713=8, 7910/2.1=8...(15) HG LEU 114 + QD2 LEU 111 OK 29 65 - 45 - 3.0/5069=5, 3.0/5076=5...(19) HG LEU 58 + QD2 LEU 93 OK 26 57 - 45 - ~7601=4, ~7062=4...(21) HB3 GLU 94 + QD2 LEU 93 OK 20 77 - 26 - 4.0/463=8, 7598/3.8=3...(10) HB3 PRO 30 + QD2 LEU 111 OK 20 100 - 20 - 7910/2.1=4, ~7900=3...(6) HB2 GLU 64 + QD2 LEU 111 OK 20 92 - 21 - 7910/2.1=3, 7158/2.1=2...(8) HB3 LYS 119 - QD2 LEU 111 OK 19 98 - 19 - 7910/2.1=3, ~8166=2...(8) HB3 GLU 64 - QD2 LEU 111 OK 19 89 - 21 - 7910/2.1=3, 7158/2.1=2...(8) HG LEU 58 - QD2 LEU 111 OK 18 83 - 22 - 7910/2.1=4, ~8420=3...(8) HG LEU 114 - HG LEU 111 OK 18 42 - 42 - ~5090=3, 7944/4.3=3...(20) HB2 GLU 38 - QD2 LEU 93 OK 16 71 - 22 - 3.0/6709=4, 3.0/6714=2...(10) HB2 GLU 64 - HG LEU 111 OK 15 64 - 23 - 7910/2.1=3, 4.6/7165=2...(10) HB3 LYS 119 - QD2 LEU 93 OK 14 73 - 20 - ~8030=3, 4.7/7613=2...(7) HB3 PRO 30 - HG LEU 111 OK 14 75 - 19 - 7910/2.1=4, ~7900=3...(5) HB3 GLU 64 - HG LEU 111 OK 14 61 - 23 - 7910/2.1=3, 4.6/7165=2...(10) HB3 LYS 119 - HG LEU 111 OK 14 72 - 19 - 7910/2.1=3, ~6272=2...(7) HG LEU 114 - QD2 LEU 93 OK 13 43 - 30 - ~5087=3, 7598/3.8=3...(13) HG LEU 58 - HG LEU 111 OK 12 56 - 22 - 7910/2.1=4, ~8420=3...(8) HB2 LYS 109 - QD2 LEU 111 OK 10 92 - 11 - 4.6/7894=2, 7910/2.1=2...(4) HB2 ARG 85 - QD2 LEU 111 lone 10 100 - 10 - 4.0/417=3, 7910/2.1=2, ~7910=1 HB3 ARG 85 - QD2 LEU 111 lone 10 100 - 10 - 4.0/417=3, 7910/2.1=2, ~7910=1 HB3 ARG 85 - QD2 LEU 93 poor 9 76 - 12 - 4.0/417=3, 4.7/5805=1, ~4278=1 HB2 ARG 85 - QD2 LEU 93 poor 9 76 - 12 - 4.0/417=3, 4.7/5805=1, ~4278=1 HB3 GLU 94 - QD2 LEU 111 lone 8 100 - 8 - 4.0/463=2, 7910/2.1=1 HB3 PRO 30 - QD2 LEU 93 poor 8 76 - 10 - ~6596=1, ~8526=1 HB2 ARG 85 - HG LEU 111 poor 8 75 - 10 - 4.0/417=3, 7910/2.1=2, ~7910=1 HB3 ARG 85 - HG LEU 111 poor 8 75 - 10 - 4.0/417=3, 7910/2.1=2, ~7910=1 HB3 GLU 94 - HG LEU 111 lone 7 76 - 9 - 4.0/463=3, 7910/2.1=1 HB2 LYS 109 - HG LEU 111 poor 7 64 - 10 - 7910/2.1=2, 4.6/7894=2...(4) HG LEU 45 - QD2 LEU 111 lone 6 85 - 8 - HB2 GLU 64 - QD2 LEU 93 lone 6 66 - 9 - 4.6/7165=2, 4.0/295=1 HB2 LEU 21 - QD2 LEU 111 lone 6 68 - 9 - ~6405=2, 7910/2.1=2, 6409/3.1=1 HB3 GLU 64 - QD2 LEU 93 lone 6 62 - 9 - 4.6/7165=2, 4.0/295=1 HB2 LYS 109 - QD2 LEU 93 lone 5 66 - 8 - HB3 GLU 69 - QD2 LEU 111 lone 5 98 - 5 - 4.8/5026=1 HB2 LEU 21 - HG LEU 111 lone 4 44 - 9 - ~6405=2, 7910/2.1=2, 6409/3.0=1 HG LEU 45 - HG LEU 111 lone 4 58 - 6 - HB2 ARG 71 - QD2 LEU 111 lone 3 81 - 4 - HG2 PRO 68 - QD2 LEU 111 lone 3 65 - 5 - HG LEU 45 - QD2 LEU 93 lone 3 59 - 5 - HB3 GLU 69 - HG LEU 111 lone 3 72 - 4 - HB2 LEU 21 - QD2 LEU 93 lone 3 45 - 6 - HG2 PRO 68 - HG LEU 111 lone 2 42 - 5 - HG2 PRO 68 - QD2 LEU 93 lone 2 43 - 4 - HB2 ARG 71 - HG LEU 111 lone 2 54 - 3 - HB2 ARG 71 - QD2 LEU 93 lone 2 55 - 3 - HB3 GLU 69 - QD2 LEU 93 lone 1 73 - 2 - Peak 7913 from cnoeabs.peaks (2.06, 0.73, 24.77 ppm; 4.82 A): 5 out of 42 assignments used, quality = 0.94: HB3 GLU 38 + QD2 LEU 111 OK 57 100 - 57 - ~6713=10, ~7900=7...(16) HB ILE 63 + QD2 LEU 111 OK 45 98 - 46 - 3508/2.1=5, ~3501=4...(25) HB3 GLU 38 + HG LEU 111 OK 42 75 - 56 - ~6713=9, ~7900=7...(17) HB ILE 63 + HG LEU 111 OK 34 72 - 47 - 3.0/3501=4, 3.2/3536=3...(26) HB2 LEU 114 + QD2 LEU 111 OK 33 65 - 51 - 1.8/5076=6, 4.6/586=5...(21) HG3 PRO 37 - QD2 LEU 111 OK 21 100 - 21 - ~7902=3, ~6683=3...(8) HB2 LEU 114 - HG LEU 111 OK 20 42 - 47 - ~5076=5, 6221/4.3=4...(22) HB3 GLU 38 - QD2 LEU 93 OK 20 76 - 26 - 3.0/6709=4, 3.0/6714=2...(13) HG3 PRO 70 - QD2 LEU 111 OK 19 93 - 21 - ~5019=3, ~4998=2...(11) HB3 ARG 81 - QD2 LEU 111 OK 19 100 - 19 - 3.0/7433=3, ~7433=3...(5) HB3 ARG 81 - HG LEU 111 OK 16 75 - 22 - 3.0/7433=4, ~7433=2...(9) HG3 PRO 37 - HG LEU 111 OK 15 75 - 21 - ~7902=3, ~6677=3...(8) HG2 GLU 64 - QD2 LEU 111 OK 15 89 - 17 - ~7908=2, ~7910=2...(8) HB ILE 63 - QD2 LEU 93 OK 15 73 - 20 - 3.2/3536=3, 4.0/1069=2...(10) HB2 LEU 114 - QD2 LEU 93 OK 14 43 - 33 - ~5075=3, ~5087=3...(16) HB2 GLN 16 - QD2 LEU 111 OK 14 73 - 19 - ~7902=4, ~7909=3...(6) HB2 ARG 57 - QD2 LEU 111 OK 13 89 - 15 - 7909/2.1=2, 5639/4.7=1...(4) HG3 PRO 70 - HG LEU 111 OK 13 66 - 20 - ~5019=3, ~4998=2...(9) HB3 GLN 16 - QD2 LEU 111 OK 13 71 - 19 - ~7902=4, ~7909=3...(6) HB2 GLU 56 - QD2 LEU 111 OK 12 92 - 13 - ~7025=2, ~7026=2...(4) HB3 ARG 81 - QD2 LEU 93 OK 12 77 - 15 - 3.0/7433=4, ~7607=3...(5) HG2 GLU 64 - HG LEU 111 OK 11 61 - 18 - ~7908=2, ~7910=2...(7) HB2 GLU 56 - QD2 LEU 93 poor 9 66 - 14 - 3.7/7030=3, 3.0/7025=2...(5) HB2 ARG 57 - HG LEU 111 poor 9 61 - 15 - 7909/2.1=2, 5639/5.3=1 HB2 GLN 16 - HG LEU 111 poor 8 48 - 17 - ~7902=4, ~7909=3...(4) HB2 GLU 56 - HG LEU 111 poor 8 64 - 13 - 3.7/7030=3, 3.0/7025=1 HB3 GLN 16 - HG LEU 111 poor 8 46 - 17 - ~7902=4, ~7909=3...(4) HB2 GLN 105 - QD2 LEU 93 poor 8 53 - 14 - 4771/3.8=3, ~8519=2...(6) HG LEU 21 - QD2 LEU 111 poor 7 63 - 11 - 6407/6336=2, ~6405=2...(4) HG3 PRO 70 - QD2 LEU 93 lone 7 67 - 10 - ~8524=1, ~7253=1 HB2 ARG 57 - QD2 LEU 93 lone 6 62 - 9 - HG3 PRO 60 - QD2 LEU 111 lone 6 98 - 6 - HG3 PRO 37 - QD2 LEU 93 lone 5 76 - 7 - HG3 PRO 60 - QD2 LEU 93 lone 5 73 - 7 - ~7088=1, ~7090=1 HG2 GLU 64 - QD2 LEU 93 lone 4 62 - 7 - 5.0/295=1 HG3 PRO 60 - HG LEU 111 lone 4 72 - 6 - HG LEU 21 - HG LEU 111 lone 4 40 - 10 - ~6405=2, 7909/2.1=1, ~7910=1 HB2 GLN 105 - QD2 LEU 111 lone 3 78 - 3 - HG LEU 21 - QD2 LEU 93 lone 2 41 - 5 - ~6411=1 HB2 GLN 105 - HG LEU 111 lone 2 52 - 3 - HB2 GLN 16 - QD2 LEU 93 lone 1 49 - 3 - HB3 GLN 16 - QD2 LEU 93 lone 1 47 - 3 - Peak 7914 from cnoeabs.peaks (0.92, 1.39, 40.93 ppm; 4.51 A): 5 out of 12 assignments used, quality = 0.95: QG2 VAL 115 + HB2 LEU 111 OK 57 99 - 58 - 7978/1.8=19, 3.2/4998=9...(14) QG2 ILE 22 + HB2 LEU 111 OK 55 99 - 55 - 3.0/5002=8, ~6443=8...(17) QD2 LEU 27 + HB2 LEU 111 OK 37 100 - 37 - 2299=4, 2.1/2285=3...(14) QD1 LEU 41 + HB2 LEU 111 OK 37 93 - 40 - ~8266=6, 8267/1.8=5...(12) QD1 LEU 27 + HB2 LEU 111 OK 35 99 - 35 - 2.1/2299=4, 2.1/2285=3...(14) HB2 GLN 42 - HB2 LEU 111 OK 33 100 - 33 - 6013/3.0=7, 2827/4.6=6...(8) QD1 LEU 117 - HB2 LEU 111 OK 28 98 - 29 - 2.1/8014=4, 3.8/8006=4...(11) QD1 ILE 63 - HB2 LEU 111 OK 25 76 - 33 - 3536/3.0=4, 4.2/6200=3...(13) QD2 LEU 41 - HB2 LEU 111 OK 22 60 - 37 - 8266/1.8=5, ~6751=5...(12) QD1 LEU 55 - HB2 LEU 111 OK 17 89 - 19 - 4.0/7011=3, 7917/4.6=2...(5) QG2 VAL 49 - HB2 LEU 111 lone 9 100 - 9 - QD1 LEU 126 - HB2 LEU 111 lone 4 97 - 4 - Peak 7915 from cnoeabs.peaks (0.92, 1.21, 40.93 ppm; 4.41 A): 5 out of 24 assignments used, quality = 0.94: QG2 VAL 115 + HB3 LEU 111 OK 56 99 - 57 - 7978=15, 5901/4.6=8...(16) QG2 ILE 22 + HB3 LEU 111 OK 51 99 - 51 - 3.0/6443=10, 2160/3.1=8...(15) QD1 LEU 41 + HB3 LEU 111 OK 44 93 - 47 - 2.1/8266=8, 2.1/6751=6...(14) HB2 GLN 42 + HB3 LEU 111 OK 33 100 - 33 - 6013/3.0=7, 2827/4.6=6...(9) QD2 LEU 27 + HB3 LEU 111 OK 31 100 - 31 - 2299/1.8=4, ~7914=3...(11) QD1 LEU 27 - HB3 LEU 111 OK 31 99 - 31 - 7914/1.8=4, ~2299=3...(12) QD2 LEU 41 - HB3 LEU 111 OK 27 60 - 45 - 2.1/6751=6, 4.1/6748=5...(15) QD1 ILE 63 - HB3 LEU 111 OK 24 76 - 32 - 3536/3.0=4, ~3529=3...(14) QD1 LEU 117 - HB3 LEU 111 OK 23 98 - 24 - ~8014=3, 7914/1.8=3...(9) QD1 LEU 55 - HB2 LEU 77 OK 23 43 - 53 - 3250/1.8=6, 3.1/4006=5...(20) QD1 LEU 41 - HB2 LEU 77 OK 20 47 - 44 - 2.1/6751=7, 2.1/8266=6...(15) QD2 LEU 27 - HB2 LEU 77 OK 20 54 - 38 - 6528/3.1=7, ~6560=4...(14) QD1 LEU 27 - HB2 LEU 77 OK 19 52 - 36 - 6531/3.1=5, ~6528=4...(13) QD1 LEU 55 - HB3 LEU 111 OK 13 89 - 14 - 7914/1.8=2, 6907/3.0=2...(4) HB2 GLN 42 - HB2 LEU 77 OK 11 55 - 20 - 2827/4.3=4, 2832/1.8=3...(5) QD2 LEU 41 - HB2 LEU 77 OK 11 26 - 42 - 2.1/6751=7, 2.1/8267=5...(15) QG2 VAL 115 - HB2 LEU 77 OK 10 53 - 19 - 7978=6, ~8340=3, ~7969=2 QG2 VAL 49 - HB3 LEU 111 lone 10 100 - 10 - QG2 ILE 22 - HB2 LEU 77 poor 9 53 - 18 - ~5982=2, ~6108=2...(5) QD1 LEU 126 - HB3 LEU 111 lone 4 97 - 4 - QG2 VAL 49 - HB2 LEU 77 lone 4 55 - 7 - ~8494=1 QD1 ILE 63 - HB2 LEU 77 lone 3 35 - 8 - 8310/1.8=2 QD1 LEU 117 - HB2 LEU 77 lone 2 51 - 5 - QD1 LEU 126 - HB2 LEU 77 lone 1 50 - 2 - Peak 7916 from cnoeabs.peaks (0.13, 3.61, 57.62 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.91: QG1 VAL 110 + HA LEU 111 OK 81 100 - 81 - 7879=23, 5878/2.9=19...(19) QD2 LEU 84 + HA LEU 111 OK 37 100 - 37 - 563/2.9=8, 8164/4.0=7...(12) QD2 LEU 51 + HA LEU 111 OK 20 76 - 26 - 2.1/6935=12, 563/2.9=5...(4) Peak 7918 from cnoeabs.peaks (0.82, 4.06, 61.58 ppm; 4.16 A): 3 out of 10 assignments used, quality = 0.92: QG1 VAL 115 + HA SER 112 OK 83 99 - 84 - 2.1/6227=30, 2.1/7919=16...(21) QD1 LEU 111 + HA SER 112 OK 42 68 - 62 - 570/3.0=10, 5019/4.8=9...(18) QD2 LEU 55 + HA SER 112 OK 21 71 - 29 - 2.1/7919=5, 3255=3...(14) QD1 LEU 93 - HA SER 112 OK 20 99 - 21 - 8525/4.9=5, 7930/3.6=2...(6) HB2 ASN 118 - HA SER 112 OK 18 100 - 18 - 6245/4.8=5, 5912/3.6=3...(6) QD2 LEU 91 - HA SER 112 OK 18 99 - 18 - 570/3.0=3, 4995/4.8=2...(7) HG13 ILE 22 - HA SER 112 OK 17 92 - 19 - ~570=4, 3.2/7919=3...(7) QD2 LEU 114 - HA SER 112 OK 15 60 - 25 - 4.4/6225=9, 7957/3.6=5...(6) QD1 ILE 22 - HA SER 112 OK 15 78 - 19 - 570/3.0=4, 3.0/7919=3...(8) QD1 LEU 59 - HA SER 112 lone 5 85 - 6 - 4.6/7071=1 Peak 7919 from cnoeabs.peaks (0.92, 4.06, 61.58 ppm; 3.71 A): 5 out of 11 assignments used, quality = 0.91: QG2 VAL 115 + HA SER 112 OK 77 100 - 77 - 2.1/6227=25, 7974=19...(18) HB2 GLN 42 + HA SER 112 OK 26 99 - 26 - 2827/3.0=7, 6013/4.8=3...(11) QD1 LEU 55 + HA SER 112 OK 23 96 - 24 - 3248=3, 2.1/3255=3...(12) QD1 LEU 41 + HA SER 112 OK 17 98 - 17 - 5566/3.0=4, ~5565=3...(6) QG2 ILE 22 + HA SER 112 OK 16 100 - 16 - ~570=2, 6433/4.9=2...(7) QD2 LEU 27 - HA SER 112 lone 8 100 - 8 - 7917/3.0=1 QD1 LEU 27 - HA SER 112 lone 7 100 - 7 - 7917/3.0=1 QD1 ILE 63 - HA SER 112 lone 7 87 - 8 - 7129/3.6=2, 7917/3.0=1 QD1 LEU 117 - HA SER 112 lone 6 93 - 6 - QG2 VAL 49 - HA SER 112 lone 5 100 - 5 - QD1 LEU 126 - HA SER 112 lone 2 92 - 2 - Peak 7920 from cnoeabs.peaks (2.13, 3.89, 62.40 ppm; 4.81 A): 2 out of 12 assignments used, quality = 0.94: HB VAL 115 + HB3 SER 112 OK 75 97 - 78 - 6227/3.0=29, 2.1/7973=15...(14) HB VAL 115 + HB2 SER 112 OK 75 96 - 78 - 6227/3.0=29, 2.1/7973=15...(14) HB2 PRO 30 - HB3 SER 112 lone 7 97 - 7 - 6227/3.0=3, 5115/7973=1 HB2 PRO 30 - HB2 SER 112 lone 7 97 - 7 - 6227/3.0=3, 5115/7973=1 HB3 GLU 15 - HB3 SER 112 lone 5 97 - 5 - 6227/3.0=2 HB3 GLU 15 - HB2 SER 112 lone 5 96 - 5 - 6227/3.0=2 HB3 PRO 70 - HB3 SER 112 lone 3 81 - 4 - 7321/4.5=1 HB3 PRO 70 - HB2 SER 112 lone 3 80 - 4 - 7321/4.5=1 HG2 GLU 69 - HB2 SER 112 lone 2 76 - 3 - 6227/3.0=1 HG2 GLU 69 - HB3 SER 112 lone 2 76 - 3 - 6227/3.0=1 HB2 LEU 101 - HB3 SER 112 lone 2 71 - 2 - HB2 LEU 101 - HB2 SER 112 lone 2 71 - 2 - Peak 7921 from cnoeabs.peaks (1.91, 3.89, 62.40 ppm; 4.99 A): 4 out of 30 assignments used, quality = 0.54: HG LEU 55 + HB3 SER 112 OK 22 76 - 28 - ~7919=3, ~3255=3...(14) HG LEU 55 + HB2 SER 112 OK 21 76 - 28 - ~7919=3, ~3255=3...(14) HB ILE 22 + HB3 SER 112 OK 14 100 - 14 - ~7919=2, 2.1/7922=2...(7) HB ILE 22 + HB2 SER 112 OK 14 100 - 14 - ~7919=2, 2.1/7922=2...(7) HB ILE 80 - HB3 SER 112 lone 9 92 - 10 - 3.9/380=4, ~6227=2, ~7412=2 HB ILE 80 - HB2 SER 112 lone 9 92 - 10 - 3.9/380=4, ~6227=2, ~7412=2 HB3 LYS 31 - HB3 SER 112 lone 5 78 - 7 - HB3 LYS 31 - HB2 SER 112 lone 5 78 - 7 - HB2 LYS 119 - HB3 SER 112 lone 5 78 - 6 - 5200/4.5=2, 4.0/5888=1 HB2 LYS 119 - HB2 SER 112 lone 5 78 - 6 - 5200/4.5=2, 4.0/5887=1 HG LEU 58 - HB3 SER 112 lone 4 71 - 6 - ~7060=1, ~7057=1 HG LEU 58 - HB2 SER 112 lone 4 71 - 6 - ~7060=1, ~7057=1 HB2 LEU 84 - HB3 SER 112 lone 4 100 - 4 - HB2 LEU 84 - HB2 SER 112 lone 4 100 - 4 - HB2 ARG 81 - HB2 SER 112 lone 3 100 - 3 - HB2 ARG 81 - HB3 SER 112 lone 3 100 - 3 - HG LEU 84 - HB3 SER 112 lone 3 85 - 4 - HG LEU 84 - HB2 SER 112 lone 3 85 - 4 - HB2 GLU 28 - HB2 SER 112 lone 3 100 - 3 - HB2 GLU 28 - HB3 SER 112 lone 3 100 - 3 - HB2 LEU 21 - HB3 SER 112 lone 2 85 - 2 - HB2 LEU 21 - HB2 SER 112 lone 2 85 - 2 - HB3 GLU 73 - HB3 SER 112 lone 2 100 - 2 - HB3 GLU 73 - HB2 SER 112 lone 2 100 - 2 - HB3 MET 11 - HB3 SER 112 lone 2 98 - 2 - HB3 MET 11 - HB2 SER 112 lone 2 98 - 2 - HB VAL 50 - HB3 SER 112 lone 1 78 - 2 - HB VAL 50 - HB2 SER 112 lone 1 78 - 2 - HB3 GLU 64 - HB3 SER 112 lone 1 63 - 1 - HB3 GLU 64 - HB2 SER 112 lone 1 63 - 1 - Peak 7922 from cnoeabs.peaks (0.91, 3.89, 62.40 ppm; 4.78 A): 2 out of 26 assignments used, quality = 0.96: QG2 VAL 115 + HB3 SER 112 OK 79 97 - 82 - ~6227=20, 7974/3.0=16...(15) QG2 VAL 115 + HB2 SER 112 OK 79 96 - 82 - ~6227=20, 7974/3.0=16...(15) HB2 GLN 42 - HB3 SER 112 OK 27 100 - 27 - 2827/3.9=8, 7919/3.0=5...(8) HB2 GLN 42 - HB2 SER 112 OK 27 100 - 27 - 2827/3.9=8, 7919/3.0=5...(8) QD1 LEU 55 - HB3 SER 112 OK 25 78 - 32 - 2.1/7921=5, 7919/3.0=5...(14) QD1 LEU 55 - HB2 SER 112 OK 25 78 - 32 - 2.1/7921=5, 7919/3.0=5...(14) QG2 ILE 22 - HB3 SER 112 OK 18 97 - 19 - 7919/3.0=3, 2.1/7921=3...(8) QG2 ILE 22 - HB2 SER 112 OK 18 96 - 19 - 7919/3.0=3, 2.1/7921=3...(8) QD1 LEU 41 - HB3 SER 112 OK 11 85 - 12 - 5566/3.9=4, 7919/3.0=3 QD1 LEU 41 - HB2 SER 112 OK 10 85 - 12 - 5566/3.9=4, 7919/3.0=3 QD2 LEU 41 - HB3 SER 112 poor 8 73 - 11 - 5565/3.9=5, ~7919=2 QD2 LEU 41 - HB2 SER 112 poor 8 73 - 11 - 5565/3.9=5, ~7919=2 QD2 LEU 27 - HB3 SER 112 lone 8 97 - 8 - 7919/3.0=2, 7917/3.9=2 QD2 LEU 27 - HB2 SER 112 lone 8 97 - 8 - 7919/3.0=2, 7917/3.9=2 QD1 LEU 27 - HB3 SER 112 lone 7 95 - 8 - 7917/3.9=2, 7919/3.0=1, ~7919=1 QD1 LEU 27 - HB2 SER 112 lone 7 94 - 8 - 7917/3.9=2, 7919/3.0=1, ~7919=1 QG2 VAL 49 - HB2 SER 112 lone 6 99 - 6 - QG2 VAL 49 - HB3 SER 112 lone 6 99 - 6 - QD1 ILE 63 - HB3 SER 112 lone 6 63 - 9 - 7129/4.5=2, 7917/3.9=2 QD1 ILE 63 - HB2 SER 112 lone 6 63 - 9 - 7129/4.5=2, 7917/3.9=2 QD1 LEU 117 - HB3 SER 112 lone 5 100 - 5 - 7919/3.0=1 QD1 LEU 117 - HB2 SER 112 lone 5 100 - 5 - 7919/3.0=1 QD1 LEU 126 - HB2 SER 112 lone 2 100 - 2 - QD1 LEU 126 - HB3 SER 112 lone 2 100 - 2 - QD1 ILE 124 - HB3 SER 112 lone 1 68 - 1 - QD1 ILE 124 - HB2 SER 112 lone 1 68 - 1 - Peak 7923 from cnoeabs.peaks (0.82, 3.89, 62.40 ppm; 4.96 A): 2 out of 16 assignments used, quality = 0.95: QG1 VAL 115 + HB3 SER 112 OK 78 96 - 82 - ~6227=21, 2.1/7920=16...(14) QG1 VAL 115 + HB2 SER 112 OK 78 95 - 82 - ~6227=21, 2.1/7920=16...(14) QD1 LEU 111 - HB3 SER 112 OK 36 81 - 45 - 570/3.9=13, 7918/3.0=7...(10) QD1 LEU 111 - HB2 SER 112 OK 36 80 - 45 - 570/3.9=13, 7918/3.0=7...(10) QD1 ILE 22 - HB3 SER 112 OK 18 89 - 21 - 570/3.9=5, 3.2/7921=3...(8) QD1 ILE 22 - HB2 SER 112 OK 18 88 - 20 - 570/3.9=5, 3.2/7921=3...(8) HG13 ILE 22 - HB3 SER 112 OK 15 83 - 18 - 2.9/7921=3, 7918/3.0=3...(8) HG13 ILE 22 - HB2 SER 112 OK 15 83 - 18 - 2.9/7921=3, 7918/3.0=3...(8) HB2 ASN 118 - HB3 SER 112 OK 13 100 - 13 - 5912/4.5=4, 570/3.9=3...(4) HB2 ASN 118 - HB2 SER 112 OK 13 100 - 13 - 5912/4.5=4, 570/3.9=3...(4) QD2 LEU 91 - HB3 SER 112 OK 11 100 - 11 - 570/3.9=4, 7918/3.0=3 QD2 LEU 91 - HB2 SER 112 OK 11 100 - 11 - 570/3.9=4, 7918/3.0=3 QD1 LEU 93 - HB3 SER 112 OK 10 97 - 10 - 7918/3.0=3, 7930/4.5=3 QD1 LEU 93 - HB2 SER 112 OK 10 96 - 10 - 7918/3.0=3, 7930/4.5=3 QD1 LEU 59 - HB3 SER 112 lone 3 73 - 4 - QD1 LEU 59 - HB2 SER 112 lone 3 73 - 4 - Peak 7927 from cnoeabs.peaks (7.26, 4.15, 63.31 ppm; 3.83 A): 2 out of 6 assignments used, quality = 0.72: QD PHE 96 + HB2 SER 113 OK 49 97 - 51 - 7928/1.8=17, 4707=12...(10) QE PHE 96 + HB2 SER 113 OK 44 90 - 49 - 7928/1.8=13, ~4708=11...(9) HE ARG 57 - HB2 SER 113 lone 9 100 - 9 - 7926/4.0=3, 7928/1.8=3 H VAL 26 - HB2 SER 113 lone 5 96 - 5 - 7928/1.8=1 HE ARG 71 - HB2 SER 113 lone 3 99 - 3 - HD1 TRP 20 - HB2 SER 113 lone 2 73 - 3 - 7926/4.0=1 Peak 7928 from cnoeabs.peaks (7.27, 4.30, 63.31 ppm; 3.90 A): 2 out of 7 assignments used, quality = 0.75: QD PHE 96 + HB3 SER 113 OK 58 99 - 58 - 4708=21, 7927/1.8=17...(10) QE PHE 96 + HB3 SER 113 OK 42 81 - 52 - 2.2/4708=17, 7927/1.8=15...(9) HE ARG 57 - HB3 SER 113 lone 9 100 - 9 - 7926/4.0=3, 7927/1.8=3 H VAL 26 - HB3 SER 113 lone 5 89 - 5 - 7927/1.8=2 HE ARG 71 - HB3 SER 113 lone 3 96 - 3 - 7927/1.8=1 HD1 TRP 20 - HB3 SER 113 lone 3 85 - 3 - 7926/4.0=1 HZ PHE 40 - HB3 SER 113 lone 1 65 - 2 - Peak 7931 from cnoeabs.peaks (0.97, 4.15, 63.31 ppm; 4.40 A): 5 out of 7 assignments used, quality = 0.83: QG2 ILE 124 + HB2 SER 113 OK 46 93 - 49 - 7936/1.8=7, 2.1/5342=6...(18) HG3 LYS 65 + HB2 SER 113 OK 31 98 - 32 - 7936/1.8=7, ~7936=5...(11) HG2 LYS 65 + HB2 SER 113 OK 31 98 - 32 - 7936/1.8=7, ~7936=5...(11) QG2 THR 95 + HB2 SER 113 OK 19 100 - 20 - 4.1/7641=6, 7936/1.8=4...(6) QD1 LEU 101 + HB2 SER 113 OK 18 93 - 19 - 7708/7934=4, 7936/1.8=3...(6) QG1 VAL 18 - HB2 SER 113 lone 8 95 - 8 - 2.1/8392=2, 7936/1.8=2, 8196=1 QD2 LEU 58 - HB2 SER 113 lone 8 78 - 10 - 7936/1.8=2, 8196=1, 4.9/7070=1 Peak 7932 from cnoeabs.peaks (0.83, 4.15, 63.31 ppm; 4.66 A): 7 out of 8 assignments used, quality = 0.88: QD2 LEU 114 + HB2 SER 113 OK 55 85 - 65 - 4.4/5890=15, 2.1/7933=11...(13) QD1 LEU 93 + HB2 SER 113 OK 30 100 - 30 - 8525/3.0=10, 7937/1.8=6...(6) QG1 VAL 115 + HB2 SER 113 OK 26 100 - 26 - 7979/4.0=8, 7937/1.8=7...(4) HG13 ILE 22 + HB2 SER 113 OK 18 100 - 18 - 7937/1.8=3, ~6437=3...(8) QD2 LEU 91 + HB2 SER 113 OK 18 89 - 20 - 5792/4.7=4, 7937/1.8=4...(6) QD2 LEU 55 + HB2 SER 113 OK 13 92 - 14 - 7017=2, 7937/1.8=2...(4) HB2 ASN 118 + HB2 SER 113 OK 12 97 - 12 - 5912/4.0=4, 7937/1.8=3...(4) QD1 LEU 59 - HB2 SER 113 lone 10 98 - 10 - 7937/1.8=2, 4.6/7070=1...(4) Peak 7933 from cnoeabs.peaks (0.73, 4.15, 63.31 ppm; 5.06 A): 4 out of 8 assignments used, quality = 0.92: QD1 LEU 114 + HB2 SER 113 OK 73 100 - 73 - 4.4/5890=18, 2.1/7932=13...(17) QD2 LEU 111 + HB2 SER 113 OK 42 100 - 42 - 2.1/7903=6, 4.7/1750=5...(14) HG LEU 111 + HB2 SER 113 OK 32 78 - 41 - 4.9/1756=6, 2.1/7903=6...(14) QD1 LEU 84 + HB2 SER 113 OK 29 85 - 34 - 2.1/7934=12, ~7938=7...(9) QD2 LEU 93 - HB2 SER 113 OK 20 68 - 30 - ~8525=7, 2.1/7932=7...(7) QD1 LEU 91 - HB2 SER 113 OK 20 92 - 22 - 2.1/7932=4, ~7937=3...(6) QD2 LEU 54 - HB2 SER 113 lone 7 78 - 9 - 1358/4.7=2, 7324/4.0=2 HG3 GLU 75 - HB2 SER 113 lone 7 68 - 10 - 7324/4.0=2, 5.1/7307=2 Peak 7934 from cnoeabs.peaks (0.13, 4.15, 63.31 ppm; 4.96 A): 3 out of 3 assignments used, quality = 0.85: QG1 VAL 110 + HB2 SER 113 OK 73 99 - 74 - 3.2/6214=21, 7866/4.7=16...(16) QD2 LEU 84 + HB2 SER 113 OK 37 99 - 37 - 7557/4.7=6, 7938/1.8=5...(11) QD2 LEU 51 + HB2 SER 113 OK 14 63 - 22 - 7557/4.7=5, 7938/1.8=4...(7) Peak 7935 from cnoeabs.peaks (1.98, 4.30, 63.31 ppm; 4.96 A): 5 out of 14 assignments used, quality = 0.91: HG LEU 114 + HB3 SER 113 OK 67 100 - 67 - 5.2/5891=13, 2.1/5085=12...(14) HB ILE 124 + HB3 SER 113 OK 56 100 - 57 - ~7931=9, 2.1/7936=8...(17) HB3 PRO 68 + HB3 SER 113 OK 15 100 - 15 - 1356/4.7=3, 7940/3.0=2...(7) HG2 PRO 68 + HB3 SER 113 OK 15 100 - 15 - 1356/4.7=3, 7940/3.0=2...(7) HB3 GLN 103 + HB3 SER 113 OK 12 100 - 12 - 1356/4.7=2, 7940/3.0=1, 4733=1 HB2 LEU 55 - HB3 SER 113 poor 10 76 - 13 - 3.1/7937=2, ~7932=2...(6) HG LEU 45 - HB3 SER 113 lone 10 99 - 10 - 6841/7938=2, 6841/7938=1 HB2 LEU 41 - HB3 SER 113 lone 9 100 - 10 - 7929/4.0=2, 1356/4.7=2 HB2 GLU 94 - HB3 SER 113 poor 9 83 - 10 - ~7939=2, 1356/4.7=1 HB2 LYS 46 - HB3 SER 113 poor 8 83 - 10 - 1356/4.7=3, 7929/4.0=1 HB3 GLU 94 - HB3 SER 113 poor 8 73 - 11 - 8537/4.7=2, 7939/1.8=1 HG2 PRO 60 - HB3 SER 113 lone 7 92 - 7 - HB2 ARG 71 - HB3 SER 113 lone 5 100 - 5 - HB2 MET 11 - HB3 SER 113 lone 5 99 - 5 - Peak 7936 from cnoeabs.peaks (0.98, 4.30, 63.31 ppm; 4.73 A): 5 out of 9 assignments used, quality = 0.83: QG2 ILE 124 + HB3 SER 113 OK 37 73 - 50 - 7931/1.8=11, 2.1/7935=8...(15) HG2 LYS 65 + HB3 SER 113 OK 36 100 - 36 - 7931/1.8=8, ~7931=6...(10) HG3 LYS 65 + HB3 SER 113 OK 36 100 - 36 - 7931/1.8=8, ~7931=6...(10) QG2 THR 95 + HB3 SER 113 OK 22 99 - 22 - 4.1/7642=8, 7931/1.8=5...(6) QD1 LEU 101 + HB3 SER 113 OK 18 100 - 18 - 7931/1.8=5, 7873/7938=3...(5) QG1 VAL 18 - HB3 SER 113 lone 8 100 - 8 - 7931/1.8=2, ~8392=1 QD2 LEU 58 - HB3 SER 113 lone 8 96 - 9 - 7931/1.8=2 QD1 LEU 58 - HB3 SER 113 lone 7 83 - 8 - ~7931=1, ~8196=1 HB3 LEU 27 - HB3 SER 113 lone 3 71 - 4 - Peak 7937 from cnoeabs.peaks (0.83, 4.30, 63.31 ppm; 4.74 A): 7 out of 9 assignments used, quality = 0.90: QD2 LEU 114 + HB3 SER 113 OK 50 73 - 68 - 4.4/5891=15, 7932/1.8=12...(15) QG1 VAL 115 + HB3 SER 113 OK 36 100 - 36 - 7979/4.0=9, 4.3/1773=8...(7) QD1 LEU 93 + HB3 SER 113 OK 31 100 - 31 - 8525/3.0=10, 7932/1.8=7...(5) QD2 LEU 91 + HB3 SER 113 OK 21 96 - 22 - 5792/4.7=5, 7932/1.8=4...(7) HB2 ASN 118 + HB3 SER 113 OK 18 99 - 18 - 4.0/1786=6, 5912/4.0=4...(5) HG13 ILE 22 + HB3 SER 113 OK 18 97 - 18 - 7932/1.8=4, ~6437=3...(7) QD2 LEU 55 + HB3 SER 113 OK 11 83 - 13 - 7932/1.8=3, 7930/4.0=2...(4) QD1 LEU 59 - HB3 SER 113 lone 9 93 - 10 - 7932/1.8=2 QD1 ILE 22 - HB3 SER 113 poor 9 65 - 13 - ~7932=3, 6437/3.0=3...(4) Peak 7938 from cnoeabs.peaks (0.15, 4.30, 63.31 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.77: QG1 VAL 110 + HB3 SER 113 OK 58 89 - 66 - 3.2/6216=22, ~6214=15...(11) QD2 LEU 84 + HB3 SER 113 OK 28 89 - 32 - 7934/1.8=6, 7557/4.7=6...(10) QD2 LEU 51 + HB3 SER 113 OK 22 100 - 22 - 5609/4.0=5, 7557/4.7=4...(6) QD1 ILE 34 - HB3 SER 113 lone 4 71 - 6 - 6643/1.8=1 Peak 7939 from cnoeabs.peaks (1.96, 4.15, 63.31 ppm; 4.95 A): 4 out of 20 assignments used, quality = 0.78: HG LEU 114 + HB2 SER 113 OK 52 78 - 67 - 5.2/5890=14, 2.1/7932=13...(13) HB ILE 124 + HB2 SER 113 OK 42 71 - 60 - 2.1/7931=12, ~7936=6...(20) HB3 GLU 94 + HB2 SER 113 OK 11 100 - 11 - 8537/4.7=2, ~7935=1 HB3 PRO 30 + HB2 SER 113 OK 10 97 - 10 - ~6607=2, ~6608=2...(4) HG2 PRO 68 - HB2 SER 113 poor 10 78 - 13 - 1356/4.7=2, ~7935=2...(6) HB3 PRO 68 - HB2 SER 113 poor 9 71 - 13 - 1356/4.7=2, ~7935=2...(6) HG LEU 45 - HB2 SER 113 lone 9 93 - 10 - 6841/7934=2, 7935/1.8=1 HB3 ARG 85 - HB2 SER 113 lone 7 97 - 7 - 4.7/1697=2, 5.0/5890=1 HB2 ARG 85 - HB2 SER 113 lone 7 97 - 7 - 4.7/1697=2, 5.0/5890=1 HB2 LEU 41 - HB2 SER 113 lone 7 71 - 10 - 7929/4.0=1, 1356/4.7=1 HB3 GLN 103 - HB2 SER 113 lone 7 71 - 10 - 7935/1.8=1, 1356/4.7=1 HB3 LYS 119 - HB2 SER 113 lone 7 93 - 7 - 4.0/5048=2, 5210/4.0=2 HB2 LYS 109 - HB2 SER 113 lone 6 83 - 8 - 4.6/1744=4, 4.0/545=1 HB2 GLU 64 - HB2 SER 113 lone 6 83 - 7 - 4.6/7172=4, 4.0/293=1 HB3 GLU 64 - HB2 SER 113 lone 6 78 - 7 - 4.6/7172=4, 4.0/293=1 HB2 ARG 71 - HB2 SER 113 lone 5 90 - 5 - HG LEU 58 - HB2 SER 113 lone 5 71 - 7 - 2.1/7931=2, ~7936=1 HB2 GLU 38 - HB2 SER 113 lone 4 90 - 4 - HB2 MET 11 - HB2 SER 113 lone 3 63 - 4 - HB3 GLU 69 - HB2 SER 113 lone 2 93 - 2 - Peak 7940 from cnoeabs.peaks (1.97, 4.44, 62.45 ppm; 4.77 A): 3 out of 34 assignments used, quality = 0.89: HG LEU 114 + HA SER 113 OK 66 99 - 67 - 5077/3.6=12, 7935/3.0=9...(20) HB ILE 124 + HA SER 113 OK 54 98 - 55 - 3.0/8126=9, 7935/3.0=7...(18) HB ILE 124 + HA THR 121 OK 33 42 - 77 - 4.0/8110=14, 8123=14...(14) HB3 PRO 68 - HA SER 113 OK 15 98 - 16 - 1356/3.6=3, 7935/3.0=2...(6) HG2 PRO 68 - HA SER 113 OK 15 99 - 15 - 1356/3.6=3, 7935/3.0=2...(6) HB2 LEU 55 - HA SER 113 OK 12 65 - 18 - 1356/3.6=2, ~6077=2...(10) HB2 LEU 41 - HA SER 113 OK 10 98 - 11 - 1356/3.6=2, 7929/3.0=2 HB3 PRO 30 - HA SER 113 OK 10 68 - 15 - 3.0/6608=3, 3.0/6609=3...(4) HG2 PRO 60 - HA THR 121 OK 10 33 - 31 - ~8092=6, ~1800=6...(8) HB3 GLN 103 - HA SER 113 poor 10 98 - 10 - 1356/3.6=2, 7935/3.0=2 HB3 GLU 94 - HA SER 113 poor 9 83 - 10 - 8537/3.6=2, 7939/3.0=1 HB2 LYS 46 - HA SER 113 poor 8 73 - 11 - 1356/3.6=3, 7929/3.0=1 HG LEU 45 - HA SER 113 lone 7 100 - 7 - 7935/3.0=1, 1356/3.6=1 HB2 GLU 94 - HA SER 113 lone 7 73 - 10 - 1356/3.6=1, 7935/3.0=1, ~7939=1 HG2 PRO 60 - HA SER 113 lone 7 85 - 8 - HB2 MET 11 - HA SER 113 lone 6 96 - 6 - 3.0/6232=1 HB2 ARG 71 - HA SER 113 lone 4 100 - 4 - HB2 ARG 85 - HA SER 113 lone 4 68 - 5 - HB3 ARG 85 - HA SER 113 lone 4 68 - 5 - HB3 GLN 103 - HA THR 121 lone 3 42 - 7 - ~7774=1, ~7775=1, ~7773=1 HB2 LEU 41 - HA THR 121 lone 3 42 - 7 - HG LEU 45 - HA THR 121 lone 3 45 - 7 - 2898/8110=2 HB2 LEU 55 - HA THR 121 poor 2 24 - 10 - ~620=2, ~7011=2, ~8075=1 HG LEU 114 - HA THR 121 lone 2 44 - 4 - ~8085=1 HB3 PRO 30 - HA THR 121 lone 2 25 - 7 - 2.3/6607=1, 3.0/6609=1 HB2 LYS 46 - HA THR 121 lone 1 27 - 5 - 6855/8110=1 HB3 PRO 68 - HA THR 121 lone 1 42 - 3 - HG2 PRO 68 - HA THR 121 lone 1 44 - 3 - HB3 GLU 94 - HA THR 121 lone 1 32 - 3 - HB2 ARG 71 - HA THR 121 lone 1 45 - 2 - HB2 GLU 94 - HA THR 121 lone 1 27 - 3 - HB2 MET 11 - HA THR 121 lone 1 40 - 2 - HB3 ARG 85 - HA THR 121 lone 0 25 - 2 - HB2 ARG 85 - HA THR 121 lone 0 25 - 2 - Peak 7941 from cnoeabs.peaks (1.13, 4.29, 57.63 ppm; 4.16 A): 3 out of 5 assignments used, quality = 0.78: QD2 LEU 117 + HA LEU 114 OK 67 100 - 68 - 8015=25, 3.1/6240=12...(11) QG2 VAL 120 + HA LEU 114 OK 21 97 - 22 - 7960/4.0=5, 4.0/6236=4...(7) HB3 LEU 54 + HA LEU 114 OK 16 76 - 21 - 3197/4.0=3, 3.1/5062=3...(8) QG2 THR 62 - HA LEU 114 poor 10 73 - 13 - 7960/4.0=6, 8372/4.0=1 QG2 VAL 50 - HA LEU 114 lone 6 100 - 6 - 7960/4.0=1 Peak 7942 from cnoeabs.peaks (1.32, 2.08, 41.47 ppm; 4.34 A): 4 out of 9 assignments used, quality = 0.95: HG2 LYS 46 + HB2 LEU 114 OK 58 99 - 59 - 7943/1.8=8, ~7943=6...(31) HG3 LYS 46 + HB2 LEU 114 OK 58 99 - 59 - 7943/1.8=8, ~7943=6...(31) QG2 THR 17 + HB2 LEU 114 OK 48 99 - 49 - 6336/3.1=9, 6339=7...(14) HB3 LEU 84 + HB2 LEU 114 OK 41 95 - 44 - 7943/1.8=5, ~7946=4...(21) QB ALA 43 - HB2 LEU 114 OK 20 97 - 21 - 7943/1.8=3, 7962/4.6=2...(9) HB3 LEU 59 - HB2 LEU 114 OK 17 76 - 23 - 7959/3.1=4, 7943/1.8=3...(9) HG3 LYS 119 - HB2 LEU 114 lone 10 100 - 10 - 7962/4.6=2, 7943/1.8=1...(4) HG CYS 87 - HB2 LEU 114 lone 8 97 - 9 - 7943/1.8=1, 7959/3.1=1 QG2 THR 23 - HB2 LEU 114 lone 7 99 - 7 - Peak 7943 from cnoeabs.peaks (1.33, 1.50, 41.47 ppm; 4.22 A): 4 out of 9 assignments used, quality = 0.92: HG2 LYS 46 + HB3 LEU 114 OK 56 100 - 56 - 7942/1.8=8, 7959/3.1=7...(29) HG3 LYS 46 + HB3 LEU 114 OK 56 100 - 56 - 7942/1.8=8, 7959/3.1=7...(29) QG2 THR 17 + HB3 LEU 114 OK 41 100 - 41 - 6336/3.1=8, 6338/3.0=7...(11) HB3 LEU 84 + HB3 LEU 114 OK 32 76 - 42 - 7942/1.8=5, 7959/3.1=4...(19) HB3 LEU 59 - HB3 LEU 114 OK 22 95 - 23 - 7959/3.1=5, 3.2/5075=3...(10) QB ALA 43 - HB3 LEU 114 OK 20 100 - 19 - 7942/1.8=3, 7959/3.1=2...(8) HG3 LYS 119 - HB3 LEU 114 lone 9 95 - 10 - 7962/4.6=2, 7959/3.1=1...(4) HG CYS 87 - HB3 LEU 114 lone 7 83 - 8 - 7959/3.1=1, 7942/1.8=1 QG2 THR 23 - HB3 LEU 114 lone 6 90 - 7 - Peak 7944 from cnoeabs.peaks (3.60, 1.98, 26.72 ppm; 4.89 A): 4 out of 12 assignments used, quality = 0.97: HA VAL 115 + HG LEU 114 OK 74 96 - 78 - 3.0/5895=14, ~5896=13...(22) HA LEU 111 + HG LEU 114 OK 65 100 - 65 - 8418=15, 6220/3.0=13...(18) HD2 PRO 70 + HG LEU 114 OK 41 99 - 42 - 6221/3.0=6, 7945/2.1=5...(18) HD2 PRO 70 + HG2 PRO 68 OK 36 69 - 52 - 8322/3.8=12, 4.8/323=9...(17) HA GLU 75 - HG LEU 114 OK 24 83 - 29 - 6094/4.3=5, 3953/2.1=4...(11) HA VAL 115 - HG2 PRO 68 OK 10 63 - 16 - 3.0/5895=3, ~584=2...(6) HA2 GLY 39 - HG LEU 114 OK 10 100 - 10 - 7945/2.1=1, 6221/3.0=1 HA LEU 111 - HG2 PRO 68 poor 9 70 - 13 - 8418=2, 8418/2.3=2, 7224/3.8=2 HA GLU 75 - HG2 PRO 68 poor 6 52 - 13 - 7224/3.8=3, ~7316=2...(4) HA2 GLY 39 - HG2 PRO 68 lone 5 71 - 7 - 7224/3.8=2 HA2 GLY 48 - HG2 PRO 68 lone 5 46 - 10 - 3.6/5692=4, 7224/3.8=4 HA2 GLY 48 - HG LEU 114 lone 4 76 - 5 - Peak 7945 from cnoeabs.peaks (3.62, 0.85, 22.18 ppm; 4.26 A): 4 out of 7 assignments used, quality = 0.96: HA VAL 115 + QD2 LEU 114 OK 69 100 - 69 - 3.0/5896=16, ~5895=7...(24) HA LEU 111 + QD2 LEU 114 OK 56 99 - 57 - 8418/2.1=11, 6220/3.1=10...(18) HA ILE 80 + QD2 LEU 114 OK 43 81 - 54 - 3.0/5896=12, 4067=6...(19) HA LYS 46 + QD2 LEU 114 OK 43 78 - 55 - 2.9/7949=12, 3.9/7959=6...(21) HD2 PRO 70 - QD2 LEU 114 OK 34 100 - 34 - 3.0/7958=4, 6221/3.1=4...(13) HA2 GLY 39 - QD2 LEU 114 lone 7 97 - 7 - HA LEU 41 - QD2 LEU 114 poor 6 63 - 10 - 3.0/5088=1 Peak 7946 from cnoeabs.peaks (0.15, 0.85, 22.18 ppm; 2.90 A): 3 out of 4 assignments used, quality = 0.58: QD2 LEU 51 + QD2 LEU 114 OK 28 100 - 29 - 6929=13, 6928/2.1=9...(5) QG1 VAL 110 + QD2 LEU 114 OK 26 89 - 30 - 7874=7, 7875/2.1=6...(8) QD2 LEU 84 + QD2 LEU 114 OK 20 89 - 23 - 2.1/5090=3, 7947/2.1=3...(6) QD1 ILE 34 - QD2 LEU 114 lone 1 71 - 1 - Peak 7947 from cnoeabs.peaks (0.14, 0.72, 26.03 ppm; 3.05 A): 6 out of 12 assignments used, quality = 0.93: QD2 LEU 84 + QD1 LEU 84 OK 66 66 - 100 - 2.1=100 QG1 VAL 110 + QD1 LEU 114 OK 37 100 - 37 - 7875=11, 7946/2.1=8...(7) QD2 LEU 84 + QD1 LEU 114 OK 32 100 - 32 - 7946/2.1=6, 4266=4...(11) QG1 VAL 110 + QD1 LEU 84 OK 27 66 - 42 - 7875=9, 4258/2.1=6...(9) QD2 LEU 51 + QD2 LEU 54 OK 23 65 - 36 - 6928=15, 4.0/8425=6...(8) QD2 LEU 51 + QD1 LEU 114 OK 22 81 - 27 - 6928=11, 7946/2.1=9...(5) QD2 LEU 51 - QD1 LEU 84 poor 9 46 - 19 - 4258/2.1=3, 4251/3.1=2...(7) QD2 LEU 84 - QD1 LEU 91 poor 7 54 - 12 - 4266=2, 2.1/4259=1 QG1 VAL 110 - QD1 LEU 91 poor 6 54 - 11 - 7875=3, 4.3/1343=1, 7866/5.0=1 QG1 VAL 110 - QD2 LEU 54 lone 6 89 - 6 - 7875=2 QD2 LEU 84 - QD2 LEU 54 lone 5 89 - 5 - QD2 LEU 51 - QD1 LEU 91 lone 2 37 - 5 - Peak 7948 from cnoeabs.peaks (7.08, 0.85, 22.18 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.59: HZ PHE 96 + QD2 LEU 114 OK 38 100 - 39 - 2.2/7956=10, 6981/2.1=8...(11) H LEU 93 + QD2 LEU 114 OK 33 98 - 33 - 6981/2.1=6, 1236=3...(12) HE ARG 92 - QD2 LEU 114 lone 7 73 - 9 - 4.0/5087=2, 4.0/5087=2...(4) HD2 HIS 10 - QD2 LEU 114 lone 0 65 - 1 - Peak 7949 from cnoeabs.peaks (6.90, 0.85, 22.18 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.82: HZ3 TRP 20 + QD2 LEU 114 OK 61 99 - 62 - 4645=18, 2.4/7950=12...(14) H LYS 46 + QD2 LEU 114 OK 42 100 - 42 - 7951/3.1=7, 7952/3.1=6...(14) HE22 GLN 103 + QD2 LEU 114 OK 19 100 - 19 - 7952/3.1=4, 7951/3.1=4...(7) Peak 7950 from cnoeabs.peaks (6.78, 0.85, 22.18 ppm; 4.48 A): 4 out of 7 assignments used, quality = 0.82: HH2 TRP 20 + QD2 LEU 114 OK 64 89 - 73 - 2.4/7949=20, 4663=14...(15) H VAL 110 + QD2 LEU 114 OK 28 95 - 29 - 4.0/7946=13, 7954/4.0=6...(5) QE TYR 67 + QD2 LEU 114 OK 20 96 - 21 - 7954/4.0=5, 2.2/7956=3...(6) HZ PHE 107 + QD2 LEU 114 OK 13 78 - 16 - 4781/7874=2, 4779/2.1=2...(7) H LEU 27 - QD2 LEU 114 lone 8 85 - 10 - 4.0/8481=1, 4.7/7956=1 HE21 GLN 42 - QD2 LEU 114 lone 7 96 - 8 - HD22 ASN 99 - QD2 LEU 114 lone 3 93 - 3 - Peak 7951 from cnoeabs.peaks (6.91, 1.50, 41.47 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.88: HZ3 TRP 20 + HB3 LEU 114 OK 64 90 - 71 - 7949/3.1=19, 4821=18...(13) H LYS 46 + HB3 LEU 114 OK 53 96 - 56 - 7949/3.1=13, 7952/1.8=12...(15) HE22 GLN 103 + HB3 LEU 114 OK 27 95 - 29 - 7952/1.8=7, 7949/3.1=6...(9) HD22 ASN 106 - HB3 LEU 114 lone 2 60 - 4 - ~7793=1 Peak 7952 from cnoeabs.peaks (6.90, 2.08, 41.47 ppm; 5.21 A): 3 out of 3 assignments used, quality = 0.94: HZ3 TRP 20 + HB2 LEU 114 OK 74 99 - 75 - 7949/3.1=22, 4821/1.8=18...(14) H LYS 46 + HB2 LEU 114 OK 63 100 - 63 - 7949/3.1=15, 7951/1.8=15...(14) HE22 GLN 103 + HB2 LEU 114 OK 36 100 - 35 - 7951/1.8=8, 7949/3.1=7...(9) Peak 7953 from cnoeabs.peaks (6.88, 4.29, 57.63 ppm; 5.00 A): 3 out of 4 assignments used, quality = 0.82: HZ3 TRP 20 + HA LEU 114 OK 56 98 - 57 - 4645/4.0=18, 2.4/7954=16...(7) H LYS 46 + HA LEU 114 OK 43 95 - 46 - 7949/4.0=10, 7952/3.0=10...(13) HE22 GLN 103 + HA LEU 114 OK 29 96 - 31 - 7952/3.0=5, 1.7/6241=5...(9) QE TYR 102 - HA LEU 114 poor 10 92 - 11 - 2.2/4827=4 Peak 7954 from cnoeabs.peaks (6.79, 4.29, 57.63 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.84: HH2 TRP 20 + HA LEU 114 OK 60 99 - 61 - 2.4/7953=14, 7950/4.0=13...(11) H VAL 110 + HA LEU 114 OK 42 100 - 42 - ~6217=10, 3.0/6215=9...(9) QE TYR 67 + HA LEU 114 OK 32 100 - 32 - 7214=7, 2.2/4682=5...(9) HE21 GLN 42 - HA LEU 114 lone 6 78 - 7 - 7950/4.0=1 HD22 ASN 99 - HA LEU 114 lone 2 73 - 3 - H LEU 27 - HA LEU 114 lone 2 60 - 4 - 7950/4.0=2 Peak 7955 from cnoeabs.peaks (8.65, 0.85, 22.18 ppm; 4.59 A): 3 out of 5 assignments used, quality = 0.80: H LEU 117 + QD2 LEU 114 OK 56 98 - 58 - 6236/4.0=16, 4.6/7960=15...(14) H LEU 59 + QD2 LEU 114 OK 35 92 - 38 - 6236/4.0=5, 1057=5...(16) H VAL 120 + QD2 LEU 114 OK 31 100 - 31 - 4.0/7960=8, 6236/4.0=5...(7) H ASN 12 - QD2 LEU 114 lone 6 87 - 7 - 6236/4.0=2, 11/2.1=1 H ASN 106 - QD2 LEU 114 lone 4 87 - 4 - Peak 7956 from cnoeabs.peaks (7.23, 0.85, 22.18 ppm; 4.34 A): 4 out of 7 assignments used, quality = 0.75: QE PHE 96 + QD2 LEU 114 OK 52 85 - 61 - 2.2/7948=21, 4723=13...(13) H LYS 65 + QD2 LEU 114 OK 32 96 - 33 - 3.0/5085=6, 1472/4.4=5...(10) QD TYR 102 + QD2 LEU 114 OK 16 100 - 16 - 4827/4.0=2, 4742/2.1=2...(4) QD TYR 67 + QD2 LEU 114 OK 11 68 - 17 - 2.2/7950=5, 4688/3.1=2...(5) QE PHE 40 - QD2 LEU 114 lone 10 99 - 10 - 6939/7946=1, 4723=1 H VAL 26 - QD2 LEU 114 lone 7 76 - 9 - 4.7/7950=1, 6496/3.1=1 HE ARG 71 - QD2 LEU 114 lone 1 63 - 2 - Peak 7957 from cnoeabs.peaks (7.58, 0.85, 22.18 ppm; 4.34 A): 6 out of 6 assignments used, quality = 0.86: H SER 113 + QD2 LEU 114 OK 49 100 - 50 - 576/4.4=11, 4.0/5085=8...(12) HE3 TRP 20 + QD2 LEU 114 OK 39 68 - 57 - 2.5/7949=20, 4.3/7950=10...(11) H CYS 76 + QD2 LEU 114 OK 23 96 - 24 - 576/4.4=4, 7324/2.1=3...(6) H ARG 57 + QD2 LEU 114 OK 18 87 - 21 - 4.6/7052=3, 4.6/256=2...(5) H LYS 119 + QD2 LEU 114 OK 17 81 - 21 - 4.6/7955=5, 576/4.4=2...(6) H CYS 52 + QD2 LEU 114 OK 12 100 - 12 - 229/7946=2, 576/4.4=2 Peak 7958 from cnoeabs.peaks (2.22, 0.85, 22.18 ppm; 3.99 A): 4 out of 14 assignments used, quality = 0.83: HB3 LEU 117 + QD2 LEU 114 OK 55 95 - 58 - 3.1/7960=17, 6240/4.0=9...(16) HB2 PRO 68 + QD2 LEU 114 OK 45 93 - 49 - 7227/2.1=7, 1.8/5088=6...(20) HB2 PRO 70 + QD2 LEU 114 OK 23 73 - 31 - 1.8/5086=4, 3.0/7945=4...(13) HG2 GLU 94 + QD2 LEU 114 OK 13 85 - 16 - 4.2/5085=2, 3.0/5088=2...(5) HG2 GLU 38 - QD2 LEU 114 lone 8 83 - 10 - 6714/2.1=1, 3.0/5086=1 HG3 GLU 38 - QD2 LEU 114 lone 8 81 - 10 - 6714/2.1=1, 3.0/5086=1 HG3 GLU 64 - QD2 LEU 114 lone 5 89 - 6 - HB VAL 26 - QD2 LEU 114 lone 4 71 - 5 - 3.9/7956=1, 4.4/7950=1 HG2 GLU 56 - QD2 LEU 114 lone 4 68 - 5 - 4.9/256=2 HG2 GLU 28 - QD2 LEU 114 lone 3 97 - 3 - HB3 PRO 37 - QD2 LEU 114 lone 3 100 - 3 - HG3 GLU 28 - QD2 LEU 114 lone 3 96 - 3 - HB2 GLU 73 - QD2 LEU 114 lone 2 57 - 4 - 4.2/5896=1 HG2 PRO 37 - QD2 LEU 114 lone 1 87 - 1 - Peak 7959 from cnoeabs.peaks (1.34, 0.85, 22.18 ppm; 3.62 A): 6 out of 9 assignments used, quality = 0.89: HG2 LYS 46 + QD2 LEU 114 OK 42 98 - 43 - 7943/3.1=5, 5.1/7949=5...(17) HG3 LYS 46 + QD2 LEU 114 OK 42 98 - 43 - 7943/3.1=5, 5.1/7949=5...(17) QG2 THR 17 + QD2 LEU 114 OK 33 98 - 34 - 6336/2.1=8, 6338/2.1=6...(9) HB3 LEU 59 + QD2 LEU 114 OK 26 99 - 27 - 3408=5, 3.7/7955=5...(9) HB3 LEU 84 + QD2 LEU 114 OK 24 63 - 38 - 3.1/7946=9, ~7232=4...(15) QB ALA 43 + QD2 LEU 114 OK 14 100 - 14 - 7943/3.1=2, 6814/7949=1...(6) HG3 LYS 119 - QD2 LEU 114 lone 8 87 - 9 - 4.9/7957=1 HG CYS 87 - QD2 LEU 114 lone 7 71 - 9 - 4.6/7533=2, 5.6/7528=1 QG2 THR 23 - QD2 LEU 114 lone 4 81 - 5 - Peak 7960 from cnoeabs.peaks (1.12, 0.85, 22.18 ppm; 3.27 A): 3 out of 4 assignments used, quality = 0.60: QD2 LEU 117 + QD2 LEU 114 OK 40 89 - 45 - 8012/2.1=7, 8554=7...(13) QG2 THR 62 + QD2 LEU 114 OK 20 98 - 20 - 7117=6, 2.1/7104=3...(5) QG2 VAL 120 + QD2 LEU 114 OK 18 100 - 18 - 4.0/7955=3, 7941/4.0=2...(5) QG2 VAL 50 - QD2 LEU 114 lone 4 89 - 5 - Peak 7963 from cnoeabs.peaks (1.25, 2.14, 31.33 ppm; 4.92 A): 5 out of 9 assignments used, quality = 0.89: QG2 ILE 80 + HB VAL 115 OK 50 76 - 66 - 4.0/5103=13, 4076/4.0=8...(20) QD1 ILE 80 + HB VAL 115 OK 45 73 - 62 - 4.9/5103=11, 4097/4.0=9...(17) QG2 THR 19 + HB VAL 115 OK 34 95 - 36 - 6375/2.1=9, 2014/4.4=7...(8) QG2 THR 116 + HB VAL 115 OK 30 71 - 42 - 4.1/5899=15, ~7976=7...(7) HG LEU 77 + HB VAL 115 OK 12 97 - 13 - ~7978=4, 3.7/8340=3 HG3 LYS 32 - HB VAL 115 lone 8 90 - 8 - 5.0/6611=2, ~7978=2, 1367/4.4=1 HG2 LYS 32 - HB VAL 115 lone 4 60 - 6 - 5.0/6611=2 HG13 ILE 124 - HB VAL 115 lone 3 100 - 3 - HB3 LEU 24 - HB VAL 115 lone 2 68 - 3 - Peak 7964 from cnoeabs.peaks (1.31, 0.83, 20.91 ppm; 4.13 A): 5 out of 8 assignments used, quality = 0.92: HG3 LYS 119 + QG1 VAL 115 OK 57 99 - 57 - 1.8/7965=10, 3.9/7968=9...(15) QG2 THR 17 + QG1 VAL 115 OK 49 90 - 54 - ~8603=18, ~7976=11...(10) HG3 LYS 46 + QG1 VAL 115 OK 34 90 - 38 - 2.9/7965=5, ~7977=4...(17) HG2 LYS 46 + QG1 VAL 115 OK 34 90 - 38 - 2.9/7965=5, ~7977=4...(17) QB ALA 43 + QG1 VAL 115 OK 15 81 - 19 - 6806/2.1=3, 4.6/7970=3...(8) HB3 LEU 84 - QG1 VAL 115 lone 10 100 - 10 - 1.8/7967=1 QG2 THR 23 - QG1 VAL 115 lone 9 100 - 9 - 4.0/77=3, ~6453=1 HG CYS 87 - QG1 VAL 115 lone 9 100 - 9 - 3.4/7545=2, 3.4/7540=2...(4) Peak 7965 from cnoeabs.peaks (1.45, 0.83, 20.91 ppm; 4.24 A): 6 out of 15 assignments used, quality = 0.88: HG2 LYS 119 + QG1 VAL 115 OK 60 99 - 60 - 1.8/7964=10, 3.9/7968=10...(13) HD2 LYS 46 + QG1 VAL 115 OK 35 100 - 35 - 2.9/7964=5, 2.9/7964=5...(11) HB2 LEU 93 + QG1 VAL 115 OK 26 97 - 27 - 4483=3, 1.8/4490=3...(13) QB ALA 14 + QG1 VAL 115 OK 20 97 - 21 - 6304/2.1=6, ~6297=5...(4) QB ALA 89 + QG1 VAL 115 OK 13 93 - 14 - 3.6/7568=2, 4.9/7572=1...(4) HB3 LEU 91 + QG1 VAL 115 OK 12 71 - 17 - 1.8/4384=2, 4.0/1220=1...(7) HG3 LYS 31 - QG1 VAL 115 lone 10 98 - 10 - 4.0/7970=2 HG3 ARG 57 - QG1 VAL 115 lone 9 95 - 10 - 5.1/7979=3, 1.8/7966=2 HB3 LEU 101 - QG1 VAL 115 lone 7 92 - 8 - 3.1/7713=2 HG LEU 24 - QG1 VAL 115 lone 5 100 - 5 - HB3 GLU 75 - QG1 VAL 115 lone 5 100 - 5 - 4.3/7979=1 HB3 LEU 45 - QG1 VAL 115 lone 4 100 - 4 - HG2 LYS 109 - QG1 VAL 115 lone 4 68 - 5 - 3.7/7970=2 HD2 LYS 65 - QG1 VAL 115 lone 3 97 - 3 - HD3 LYS 65 - QG1 VAL 115 lone 3 97 - 3 - Peak 7966 from cnoeabs.peaks (1.59, 0.83, 20.91 ppm; 4.20 A): 3 out of 13 assignments used, quality = 0.87: HD2 LYS 119 + QG1 VAL 115 OK 54 99 - 55 - 3.0/7968=12, 3.0/7968=12...(11) HD3 LYS 119 + QG1 VAL 115 OK 54 98 - 55 - 3.0/7968=12, 3.0/7968=12...(11) HG2 PRO 30 + QG1 VAL 115 OK 40 71 - 56 - ~7972=10, 2.3/5110=9...(16) HG2 ARG 57 - QG1 VAL 115 lone 8 99 - 8 - 5.1/7979=2, 1.8/7965=2 HG12 ILE 63 - QG1 VAL 115 lone 8 93 - 9 - 2.1/5112=1, 3525/2.1=1 HG LEU 126 - QG1 VAL 115 lone 6 99 - 5 - HB2 LEU 126 - QG1 VAL 115 lone 5 93 - 6 - HB3 LEU 126 - QG1 VAL 115 lone 5 92 - 6 - HD2 LYS 32 - QG1 VAL 115 lone 4 78 - 6 - HD3 LYS 32 - QG1 VAL 115 lone 4 78 - 6 - HG2 ARG 81 - QG1 VAL 115 lone 3 99 - 3 - HG3 ARG 81 - QG1 VAL 115 lone 3 99 - 3 - HG2 ARG 53 - QG1 VAL 115 lone 2 78 - 3 - Peak 7967 from cnoeabs.peaks (1.91, 0.83, 20.91 ppm; 4.66 A): 4 out of 15 assignments used, quality = 0.95: HB ILE 22 + QG1 VAL 115 OK 63 100 - 63 - 2.1/2159=8, 2152=8...(20) HB ILE 80 + QG1 VAL 115 OK 60 92 - 65 - 3.9/5108=11, 4069/4.0=9...(19) HB2 LYS 119 + QG1 VAL 115 OK 52 78 - 67 - 2.9/7965=10, 2.9/7964=10...(14) HG LEU 55 + QG1 VAL 115 OK 36 76 - 47 - 4.3/7970=6, ~8168=5...(19) HB2 LEU 21 - QG1 VAL 115 OK 15 85 - 17 - 4.6/853=4, 3.1/6411=2...(8) HB2 GLU 28 - QG1 VAL 115 OK 13 100 - 13 - 4.2/6570=3, 6564/2.1=2...(4) HB2 LEU 84 - QG1 VAL 115 OK 10 100 - 10 - 1.8/7964=2 HB3 LYS 31 - QG1 VAL 115 poor 9 78 - 12 - 3.0/7970=2, 2.9/7965=2...(4) HB2 ARG 81 - QG1 VAL 115 lone 8 100 - 8 - 5713/4.0=1 HG LEU 84 - QG1 VAL 115 lone 7 85 - 8 - 3.0/7964=2 HB3 GLU 73 - QG1 VAL 115 lone 7 100 - 6 - 4.2/5108=1 HG LEU 58 - QG1 VAL 115 lone 6 71 - 8 - HB3 MET 11 - QG1 VAL 115 lone 4 98 - 4 - HB VAL 50 - QG1 VAL 115 lone 3 78 - 4 - HB3 GLU 64 - QG1 VAL 115 lone 1 63 - 2 - Peak 7968 from cnoeabs.peaks (2.86, 0.83, 20.91 ppm; 3.98 A): 3 out of 10 assignments used, quality = 0.76: HE3 LYS 119 + QG1 VAL 115 OK 46 100 - 46 - 8040=10, 1.8/8040=9...(9) HE2 LYS 119 + QG1 VAL 115 OK 46 100 - 46 - 8040=10, 1.8/8040=9...(9) HB2 ASN 79 + QG1 VAL 115 OK 18 89 - 21 - 4.5/5108=7, ~7973=3...(6) HG CYS 52 - QG1 VAL 115 lone 3 99 - 3 - HB3 TYR 67 - QG1 VAL 115 lone 3 81 - 3 - HB2 TYR 67 - QG1 VAL 115 lone 3 81 - 3 - HB3 PHE 107 - QG1 VAL 115 lone 2 90 - 2 - HB3 ASN 12 - QG1 VAL 115 lone 2 73 - 2 - HB2 ASP 36 - QG1 VAL 115 lone 1 85 - 2 - HB2 ASN 99 - QG1 VAL 115 lone 1 85 - 1 - Peak 7969 from cnoeabs.peaks (3.84, 0.83, 20.91 ppm; 4.11 A): 7 out of 12 assignments used, quality = 0.95: HA THR 116 + QG1 VAL 115 OK 62 95 - 66 - 3.0/5900=14, 4.8/6244=9...(15) HA LYS 119 + QG1 VAL 115 OK 54 97 - 56 - 3.0/7979=8, 4.0/7965=6...(17) HA THR 19 + QG1 VAL 115 OK 36 100 - 36 - 3.0/5900=5, 6370/2.1=4...(12) HA GLU 15 + QG1 VAL 115 OK 27 99 - 27 - 1907/2.1=6, 5959/4.3=5...(8) HA LEU 77 + QG1 VAL 115 OK 18 100 - 18 - 6107/4.0=4, 8340/2.1=4...(5) HB2 SER 13 + QG1 VAL 115 OK 13 63 - 20 - ~7972=5, ~6289=4...(8) HB3 SER 29 + QG1 VAL 115 OK 11 57 - 20 - 4.8/6599=3, ~6573=3...(7) HB2 SER 35 - QG1 VAL 115 lone 7 93 - 8 - ~7972=2, ~6289=1 HA THR 33 - QG1 VAL 115 lone 4 87 - 5 - HA3 GLY 88 - QG1 VAL 115 lone 4 60 - 6 - 3.0/7553=2, 4.3/7965=1 HB THR 33 - QG1 VAL 115 lone 3 85 - 4 - HA3 GLY 104 - QG1 VAL 115 lone 2 95 - 2 - Peak 7970 from cnoeabs.peaks (4.07, 0.83, 20.91 ppm; 4.33 A): 3 out of 9 assignments used, quality = 0.94: HA SER 112 + QG1 VAL 115 OK 84 98 - 85 - 6227/2.1=31, 7919/2.1=17...(21) HA LEU 55 + QG1 VAL 115 OK 46 97 - 48 - 7974/2.1=8, 6228/2.1=7...(15) HA SER 44 + QG1 VAL 115 OK 33 100 - 33 - 7974/2.1=6, 6228/2.1=5...(12) HA VAL 120 - QG1 VAL 115 OK 20 92 - 22 - 3.0/8062=4, 1776/4.3=3...(8) HA LYS 31 - QG1 VAL 115 OK 16 92 - 17 - 5.0/5110=5, ~112=2...(5) HA LYS 109 - QG1 VAL 115 OK 15 92 - 16 - 7974/2.1=3, 6205/4.3=3...(5) HA TYR 102 - QG1 VAL 115 OK 10 81 - 13 - 7974/2.1=2, 6228/2.1=2...(4) HD3 PRO 37 - QG1 VAL 115 lone 5 73 - 6 - 7974/2.1=1 HA LEU 24 - QG1 VAL 115 lone 2 60 - 4 - Peak 7971 from cnoeabs.peaks (3.86, 2.14, 31.33 ppm; 4.86 A): 6 out of 14 assignments used, quality = 0.94: HB3 SER 112 + HB VAL 115 OK 50 63 - 80 - 3.0/6227=32, 1.8/7920=16...(14) HB2 SER 112 + HB VAL 115 OK 46 57 - 80 - 3.0/6227=32, 1.8/7920=16...(14) HA GLU 15 + HB VAL 115 OK 40 95 - 43 - 1907=6, 5959/4.4=6...(12) HA THR 19 + HB VAL 115 OK 34 83 - 42 - 3.0/5899=6, 3.2/7963=6...(11) HA LYS 119 + HB VAL 115 OK 28 57 - 49 - ~7979=8, ~6248=7...(12) HB2 SER 13 + HB VAL 115 OK 27 99 - 27 - ~7972=6, ~6289=5...(8) HB3 ASN 79 - HB VAL 115 OK 26 81 - 32 - 4.5/5103=12, ~7968=5...(10) HA LEU 77 - HB VAL 115 OK 16 71 - 22 - 6107/4.0=4, ~7978=4...(6) HB2 SER 35 - HB VAL 115 OK 10 99 - 10 - ~7972=2, ~6289=2...(4) HA THR 33 - HB VAL 115 lone 7 100 - 7 - 6288/2.1=1 HB THR 33 - HB VAL 115 lone 6 100 - 6 - HA3 GLY 104 - HB VAL 115 lone 3 99 - 3 - HA ARG 53 - HB VAL 115 lone 3 71 - 4 - HB THR 95 - HB VAL 115 lone 2 65 - 2 - Peak 7972 from cnoeabs.peaks (3.75, 0.92, 22.11 ppm; 3.52 A): 3 out of 10 assignments used, quality = 0.58: HD2 PRO 30 + QG2 VAL 115 OK 42 90 - 47 - 3.0/5115=6, 6596/2.1=5...(18) HB3 SER 13 + QG2 VAL 115 OK 18 93 - 19 - 6289=6, 1.8/7973=3...(7) HA CYS 87 + QG2 VAL 115 OK 12 99 - 12 - 7534=3, 7533/2.1=2...(4) HA GLU 38 - QG2 VAL 115 lone 9 99 - 9 - 6708=1 HB3 SER 35 - QG2 VAL 115 lone 6 99 - 6 - 6289=2 HA LEU 54 - QG2 VAL 115 lone 6 100 - 6 - 3.6/1029=2 HA3 GLY 86 - QG2 VAL 115 lone 5 60 - 9 - ~7511=2, 1.8/7510=1...(5) HB3 SER 90 - QG2 VAL 115 lone 5 89 - 6 - 7579/2.1=2, ~7575=1 HA GLU 73 - QG2 VAL 115 lone 4 99 - 4 - HB2 SER 72 - QG2 VAL 115 lone 2 68 - 3 - 7282/4.0=1 Peak 7973 from cnoeabs.peaks (3.89, 0.92, 22.11 ppm; 3.61 A): 4 out of 14 assignments used, quality = 0.88: HB3 SER 112 + QG2 VAL 115 OK 57 100 - 57 - 3.0/7919=11, ~6227=11...(15) HB2 SER 112 + QG2 VAL 115 OK 57 100 - 57 - 3.0/7919=11, ~6227=11...(15) HB3 ASN 79 + QG2 VAL 115 OK 22 100 - 22 - 4.5/5113=7, ~7968=3...(7) HB2 SER 13 + QG2 VAL 115 OK 17 89 - 19 - 1.8/7972=6, 6288=3...(6) HD2 PRO 68 - QG2 VAL 115 lone 5 71 - 7 - 3.0/8168=1, 2.3/8168=1 HA ARG 53 - QG2 VAL 115 lone 5 100 - 5 - HD3 PRO 68 - QG2 VAL 115 lone 4 65 - 7 - 3.0/8168=1, 2.3/8168=1 HB THR 62 - QG2 VAL 115 lone 4 65 - 6 - ~7117=1 HB THR 95 - QG2 VAL 115 lone 3 100 - 3 - HA THR 33 - QG2 VAL 115 lone 3 65 - 4 - HB THR 33 - QG2 VAL 115 lone 2 68 - 3 - HA ILE 34 - QG2 VAL 115 lone 2 90 - 2 - HA2 GLY 2 - QG2 VAL 115 lone 1 90 - 1 - HA3 GLY 2 - QG2 VAL 115 lone 1 90 - 1 - Peak 7974 from cnoeabs.peaks (4.06, 0.92, 22.11 ppm; 3.58 A): 4 out of 9 assignments used, quality = 0.90: HA SER 112 + QG2 VAL 115 OK 75 100 - 75 - 6227/2.1=24, 7919=18...(18) HA LEU 55 + QG2 VAL 115 OK 37 100 - 37 - 3224=6, 6228/2.1=5...(14) HA SER 44 + QG2 VAL 115 OK 29 97 - 30 - 6827=5, 6228/2.1=4...(13) HA LYS 109 + QG2 VAL 115 OK 13 100 - 13 - 6205/4.3=2, 6228/2.1=2...(4) HA VAL 120 - QG2 VAL 115 poor 9 71 - 13 - 7970/2.1=2, 1776/4.3=2...(5) HA TYR 102 - QG2 VAL 115 lone 9 97 - 9 - 6228/2.1=1, 7746/3.2=1...(4) HA GLN 16 - QG2 VAL 115 poor 9 71 - 13 - 3.6/5901=4, ~31=2...(4) HA LYS 31 - QG2 VAL 115 poor 8 71 - 11 - 5.0/5115=3, 7970/2.1=2...(4) HD3 PRO 37 - QG2 VAL 115 lone 5 93 - 5 - Peak 7975 from cnoeabs.peaks (4.23, 0.92, 22.11 ppm; 3.98 A): 5 out of 11 assignments used, quality = 0.88: HA THR 17 + QG2 VAL 115 OK 59 99 - 59 - 4.1/8603=22, 3.0/7976=13...(14) HA ILE 22 + QG2 VAL 115 OK 45 96 - 47 - 2145/2.1=5, 2143=5...(19) HA SER 13 + QG2 VAL 115 OK 23 96 - 24 - 3.0/7972=5, 4.9/6297=4...(9) HB THR 19 + QG2 VAL 115 OK 21 81 - 26 - 2.1/6375=5, 4.0/5901=4...(8) HA CYS 52 + QG2 VAL 115 OK 12 99 - 12 - 6947=2, 3.0/7980=2, ~7979=1 HA VAL 26 - QG2 VAL 115 lone 9 99 - 9 - HA3 GLY 48 - QG2 VAL 115 poor 9 83 - 11 - ~6883=2, 8423/3.2=2...(5) HA VAL 66 - QG2 VAL 115 lone 7 95 - 8 - 3.6/7208=1 HA ALA 89 - QG2 VAL 115 lone 6 92 - 7 - 2.9/7558=1, ~7965=1 HA LEU 126 - QG2 VAL 115 lone 5 85 - 5 - HA LEU 58 - QG2 VAL 115 lone 4 68 - 6 - ~6243=1 Peak 7976 from cnoeabs.peaks (4.34, 0.92, 22.11 ppm; 4.34 A): 4 out of 6 assignments used, quality = 0.77: HB THR 17 + QG2 VAL 115 OK 59 89 - 66 - 2.8/8603=35, 2.1/7977=12...(11) HB THR 116 + QG2 VAL 115 OK 26 68 - 38 - 5122/4.3=13, 3.0/6370=6...(8) HA CYS 76 + QG2 VAL 115 OK 14 96 - 15 - 6105/4.0=4, 6105/5113=2...(4) HA PHE 40 + QG2 VAL 115 OK 13 99 - 13 - 3.6/948=2, 8393/7978=2...(4) HA ASP 100 - QG2 VAL 115 lone 4 99 - 4 - HA MET 11 - QG2 VAL 115 lone 3 81 - 4 - Peak 7977 from cnoeabs.peaks (1.34, 0.92, 22.11 ppm; 3.85 A): 6 out of 9 assignments used, quality = 0.93: QG2 THR 17 + QG2 VAL 115 OK 62 98 - 63 - 3.0/8603=27, 2.1/7976=14...(10) HG2 LYS 46 + QG2 VAL 115 OK 35 98 - 36 - 2.9/8168=5, 2.9/8169=4...(17) HG3 LYS 46 + QG2 VAL 115 OK 35 98 - 36 - 2.9/8168=5, 2.9/8169=4...(17) HG3 LYS 119 + QG2 VAL 115 OK 31 87 - 36 - ~7965=6, 1.8/8169=5...(12) QB ALA 43 + QG2 VAL 115 OK 26 100 - 26 - 6806=4, 4.6/7974=3...(10) HB3 LEU 59 + QG2 VAL 115 OK 10 99 - 10 - 3408/2.1=2, 7962/4.0=1 QG2 THR 23 - QG2 VAL 115 lone 6 81 - 8 - 4.0/75=2, 3.2/6453=2 HG CYS 87 - QG2 VAL 115 lone 5 71 - 7 - 4.6/7972=2 HB3 LEU 84 - QG2 VAL 115 lone 4 63 - 7 - Peak 7978 from cnoeabs.peaks (1.19, 0.92, 22.11 ppm; 3.73 A): 3 out of 5 assignments used, quality = 0.52: HB3 LEU 111 + QG2 VAL 115 OK 29 76 - 38 - 3.0/5114=6, 4.6/5901=5...(14) QG2 VAL 18 + QG2 VAL 115 OK 25 92 - 27 - 8397=4, 4.0/6354=4...(9) HB2 LEU 77 + QG2 VAL 115 OK 11 100 - 11 - ~8340=2, ~7969=1 HB3 LEU 24 - QG2 VAL 115 lone 3 63 - 5 - HG2 LYS 32 - QG2 VAL 115 lone 3 71 - 4 - Peak 7979 from cnoeabs.peaks (7.59, 0.83, 20.91 ppm; 4.90 A): 3 out of 6 assignments used, quality = 0.94: H LYS 119 + QG1 VAL 115 OK 72 99 - 73 - 6248/3.2=12, 7980/2.1=11...(19) H SER 113 + QG1 VAL 115 OK 67 96 - 70 - 7980/2.1=13, 3.6/7970=12...(14) H ARG 57 + QG1 VAL 115 OK 31 100 - 31 - 7980/2.1=6, 6248/3.2=5...(6) H CYS 52 - QG1 VAL 115 OK 15 85 - 17 - 7980/2.1=3, 1769/4.0=2...(5) H CYS 76 - QG1 VAL 115 OK 13 65 - 19 - 1769/4.0=5, ~7976=3...(5) HD21 ASN 12 - QG1 VAL 115 lone 4 68 - 6 - Peak 7980 from cnoeabs.peaks (7.59, 0.92, 22.11 ppm; 4.80 A): 5 out of 6 assignments used, quality = 0.91: H SER 113 + QG2 VAL 115 OK 59 89 - 66 - 3.6/7919=15, 7979/2.1=12...(11) H LYS 119 + QG2 VAL 115 OK 52 100 - 52 - 7979/2.1=13, 6248/3.2=12...(10) H ARG 57 + QG2 VAL 115 OK 29 100 - 29 - 7979/2.1=6, 6248/3.2=5...(6) H GLU 56 + QG2 VAL 115 OK 25 68 - 36 - 3.6/7974=7, 4.2/8168=7...(11) H CYS 52 + QG2 VAL 115 OK 13 73 - 18 - 7979/2.1=3, 3.0/7975=3...(6) HD21 ASN 12 - QG2 VAL 115 lone 3 81 - 4 - Peak 7981 from cnoeabs.peaks (7.60, 1.27, 22.69 ppm; 4.47 A): 4 out of 6 assignments used, quality = 0.86: H LYS 119 + QG2 THR 116 OK 65 100 - 65 - 3.0/5127=10, 4.0/8457=10...(16) H SER 113 + QG2 THR 116 OK 35 81 - 43 - ~6233=12, ~6232=12...(7) H ARG 57 + QG2 THR 116 OK 26 99 - 26 - 7044/4.3=6, 6250/3.2=4...(8) H GLU 56 + QG2 THR 116 OK 17 78 - 22 - 3.6/7010=4, 1782/4.3=3...(7) HD21 ASN 12 - QG2 THR 116 lone 8 89 - 8 - 5.7/5904=1, 3.5/8170=1 H CYS 52 - QG2 THR 116 poor 7 63 - 11 - 4.6/8171=3 Peak 7982 from cnoeabs.peaks (1.46, 3.83, 66.80 ppm; 4.80 A): 3 out of 34 assignments used, quality = 0.95: HB2 LEU 93 + HA THR 116 OK 73 100 - 73 - 7609/3.2=11, ~8377=10...(25) HG2 LYS 119 + HA THR 116 OK 68 100 - 68 - 2.9/6252=10, 7992/3.2=9...(19) HG LEU 93 + HA THR 116 OK 43 60 - 72 - ~8377=14, ~7989=10...(22) QB ALA 14 - HA THR 19 OK 30 93 - 32 - 3.7/5983=6, ~1550=6...(6) HG2 LYS 119 - HA THR 19 OK 28 93 - 30 - 2.9/5201=4, 2.9/6253=4...(12) HB3 LEU 58 - HA THR 19 OK 27 64 - 42 - 3.1/6372=4, 3.1/6372=4...(19) HB3 LEU 58 - HA THR 116 OK 24 73 - 33 - 5647/3.6=4, 1.8/6251=4...(14) HG LEU 91 - HA THR 116 OK 24 68 - 35 - ~8368=8, ~7989=5...(10) QB ALA 14 - HA THR 116 OK 23 100 - 23 - 6315/3.0=6, ~5951=4...(7) HB3 LEU 101 - HA THR 116 OK 14 73 - 19 - ~7987=3, ~7730=2...(7) HD2 LYS 46 - HA THR 116 OK 14 100 - 14 - 2970/4.8=4, 6330/3.0=2 HG3 LYS 31 - HA THR 116 OK 12 100 - 12 - 7992/3.2=1, 5221=1 HG3 ARG 57 - HA THR 116 OK 12 100 - 12 - 5.1/6250=3, 7992/3.2=1...(4) HB3 LEU 101 - HA THR 19 OK 11 64 - 18 - ~8421=3, ~7730=2...(8) HB2 LEU 93 - HA THR 19 OK 11 93 - 12 - 7609/3.2=1, ~7608=1 QB ALA 89 - HA THR 116 lone 7 76 - 9 - ~1764=1, 3.6/1717=1 HG2 LYS 109 - HA THR 116 lone 6 89 - 7 - 2.9/6253=1 HG3 LYS 31 - HA THR 19 lone 5 94 - 5 - HG3 ARG 57 - HA THR 19 lone 5 93 - 5 - QB ALA 89 - HA THR 19 lone 5 66 - 7 - HG LEU 24 - HA THR 19 lone 5 85 - 5 - ~49=2 HG LEU 93 - HA THR 19 lone 5 51 - 9 - ~8377=1 HG LEU 24 - HA THR 116 lone 4 95 - 5 - HD2 LYS 46 - HA THR 19 lone 4 92 - 4 - HG2 LYS 109 - HA THR 19 lone 4 79 - 5 - 2.9/6253=1 HB3 LEU 45 - HA THR 19 lone 4 85 - 4 - ~6379=1 HB3 LEU 45 - HA THR 116 lone 4 95 - 4 - HB3 GLU 75 - HA THR 116 lone 3 95 - 3 - HG LEU 91 - HA THR 19 lone 3 59 - 5 - ~8368=2 HB3 GLU 75 - HA THR 19 lone 3 85 - 3 - HD2 LYS 65 - HA THR 116 lone 3 83 - 3 - HD3 LYS 65 - HA THR 116 lone 3 83 - 3 - HD2 LYS 65 - HA THR 19 lone 2 73 - 3 - HD3 LYS 65 - HA THR 19 lone 2 73 - 3 - Peak 7983 from cnoeabs.peaks (1.59, 3.83, 66.80 ppm; 4.68 A): 5 out of 32 assignments used, quality = 0.92: HD2 LYS 119 + HA THR 116 OK 61 100 - 62 - 7993/3.2=9, 3.7/6252=8...(19) HD3 LYS 119 + HA THR 116 OK 61 100 - 62 - 7993/3.2=8, 3.7/6252=8...(19) HD2 LYS 32 + HA THR 116 OK 20 89 - 23 - 7993/3.2=3, ~7993=2...(10) HD3 LYS 32 + HA THR 116 OK 20 89 - 23 - 7993/3.2=3, ~7993=2...(10) HD2 LYS 119 + HA THR 19 OK 20 93 - 22 - 3.7/5201=3, 3.7/6253=3...(9) HD3 LYS 119 - HA THR 19 OK 20 93 - 22 - 3.7/5201=3, 3.7/6253=3...(9) HG3 ARG 81 - HA THR 116 OK 13 95 - 13 - 4.9/1673=3, 7993/3.2=2...(6) HG2 ARG 81 - HA THR 116 OK 13 95 - 13 - 4.9/1673=3, 7993/3.2=2...(6) HG LEU 101 - HA THR 116 OK 12 68 - 18 - ~7987=4, ~7714=3...(6) HD3 LYS 32 - HA THR 19 OK 11 79 - 14 - ~49=1, 3.5/8754=1 HD2 LYS 32 - HA THR 19 OK 11 79 - 14 - ~49=1, 3.5/8754=1 HG2 ARG 57 - HA THR 116 lone 9 95 - 10 - 5.1/6250=3, 7993/3.2=2 HG LEU 101 - HA THR 19 poor 7 59 - 12 - ~50=2, 2.1/6372=2...(6) HG12 ILE 63 - HA THR 19 lone 7 90 - 7 - ~6375=2, 2.1/6370=1 HG2 PRO 30 - HA THR 116 lone 7 83 - 8 - ~589=2, 2.3/6253=1 HG12 ILE 63 - HA THR 116 lone 6 98 - 6 - HG3 ARG 81 - HA THR 19 lone 5 85 - 6 - 4.9/1673=2 HG2 ARG 81 - HA THR 19 lone 5 85 - 6 - 4.9/1673=2 HB2 LEU 126 - HA THR 116 lone 4 98 - 4 - HB3 LEU 126 - HA THR 116 lone 4 97 - 4 - HG LEU 126 - HA THR 116 lone 3 100 - 3 - HD2 LYS 31 - HA THR 116 lone 3 63 - 5 - HD3 LYS 31 - HA THR 116 lone 3 63 - 5 - HG2 ARG 57 - HA THR 19 lone 3 85 - 4 - HG2 PRO 30 - HA THR 19 lone 3 73 - 4 - HG2 ARG 53 - HA THR 116 lone 2 89 - 2 - HB2 LEU 126 - HA THR 19 lone 2 90 - 2 - HB3 LEU 126 - HA THR 19 lone 2 89 - 2 - HG LEU 126 - HA THR 19 lone 2 93 - 2 - HD3 LYS 31 - HA THR 19 lone 2 54 - 3 - HD2 LYS 31 - HA THR 19 lone 2 54 - 3 - HG2 ARG 53 - HA THR 19 lone 1 79 - 1 - Peak 7984 from cnoeabs.peaks (2.33, 3.83, 66.80 ppm; 5.42 A): 10 out of 18 assignments used, quality = 0.92: HB VAL 18 + HA THR 19 OK 48 64 - 75 - 5458/3.0=18, ~49=17...(12) HB3 ASN 118 + HA THR 116 OK 32 85 - 38 - 4.0/1783=11, 6247/4.8=11...(7) HB VAL 18 + HA THR 116 OK 31 73 - 43 - ~5459=7, 5458/3.0=6...(11) HB2 LEU 54 + HA THR 116 OK 20 100 - 19 - 3188/3.2=3, ~3195=2...(6) HG2 GLN 16 + HA THR 19 OK 16 51 - 32 - 4.9/29=6, ~6374=5...(11) HG2 PRO 70 + HA THR 116 OK 16 92 - 17 - 6246/4.8=6, ~8320=2...(5) HG2 PRO 70 + HA THR 19 OK 13 82 - 15 - ~47=5, 48/3.0=4, 6377/3.2=1 HB2 GLU 82 + HA THR 19 OK 11 92 - 12 - ~8421=3, ~6377=2...(6) HB3 GLU 82 + HA THR 19 OK 11 92 - 12 - ~8421=3, ~6377=2...(6) HB3 ASN 118 + HA THR 19 OK 10 75 - 14 - 4.6/6250=4, 4.0/1783=4...(4) HG2 GLN 16 - HA THR 116 poor 10 60 - 16 - ~5453=3, ~39=3, 4.9/29=2...(7) HB2 LEU 54 - HA THR 19 lone 8 93 - 8 - HG3 GLU 56 - HA THR 116 lone 6 87 - 7 - 4.9/6250=2 HB3 PRO 60 - HA THR 116 lone 5 93 - 5 - HB3 GLU 82 - HA THR 116 lone 4 99 - 4 - 6246/4.8=1 HB2 GLU 82 - HA THR 116 lone 4 99 - 4 - 6246/4.8=1 HG3 GLU 56 - HA THR 19 lone 3 77 - 4 - HB3 PRO 60 - HA THR 19 lone 2 84 - 3 - Peak 7985 from cnoeabs.peaks (0.82, 4.37, 67.81 ppm; 4.04 A): 5 out of 8 assignments used, quality = 0.93: QD1 LEU 93 + HB THR 116 OK 69 97 - 71 - 8377/2.1=22, 4506=14...(18) QG1 VAL 115 + HB THR 116 OK 39 96 - 41 - 4.3/5122=16, 7969/3.0=7...(7) QD2 LEU 91 + HB THR 116 OK 37 100 - 37 - 8368/2.1=12, 7590/4.2=7...(10) QD1 ILE 22 + HB THR 116 OK 25 89 - 29 - ~6432=4, 7988/2.1=3...(16) HG13 ILE 22 + HB THR 116 OK 24 83 - 30 - ~6432=4, 7988/2.1=4...(15) QD1 LEU 111 - HB THR 116 OK 18 81 - 22 - 5884/3.8=4, ~7989=4...(8) HB2 ASN 118 - HB THR 116 OK 14 100 - 14 - 7988/2.1=3, 8001/4.2=3...(5) QD1 LEU 59 - HB THR 116 lone 7 73 - 10 - 3417/4.2=3, 7988/2.1=2 Peak 7986 from cnoeabs.peaks (1.13, 1.27, 22.69 ppm; 3.06 A): 2 out of 5 assignments used, quality = 0.71: QG2 VAL 120 + QG2 THR 116 OK 64 100 - 64 - 8054=24, 2.1/7987=17...(13) QD2 LEU 117 + QG2 THR 116 OK 20 99 - 20 - 3.8/8605=6, 4.6/5904=5...(4) QG2 THR 62 - QG2 THR 116 lone 8 85 - 10 - 3.2/8605=2, 8378/8377=1 HB3 LEU 54 - QG2 THR 116 lone 6 63 - 10 - 3.1/3209=1, 1.8/3188=1...(4) QG2 VAL 50 - QG2 THR 116 lone 5 99 - 5 - 1374/4.3=1 Peak 7987 from cnoeabs.peaks (1.03, 1.27, 22.69 ppm; 3.28 A): 3 out of 6 assignments used, quality = 0.77: QG1 VAL 120 + QG2 THR 116 OK 68 100 - 68 - 2.1/7986=22, 8048=21...(16) QD2 LEU 101 + QG2 THR 116 OK 19 100 - 19 - 7714=5, 2.1/7706=2...(5) QD1 LEU 58 + QG2 THR 116 OK 13 71 - 18 - 7063=3, 5650/4.3=2...(5) HB3 LEU 21 - QG2 THR 116 lone 5 76 - 7 - 4.6/6430=2, 1.8/7990=1 HB3 LEU 27 - QG2 THR 116 lone 5 83 - 6 - QG2 THR 33 - QG2 THR 116 lone 2 71 - 3 - Peak 7988 from cnoeabs.peaks (0.82, 1.27, 22.69 ppm; 2.99 A): 7 out of 10 assignments used, quality = 0.88: QD1 LEU 93 + QG2 THR 116 OK 58 99 - 58 - 8377=23, 2.1/7989=10...(18) QD2 LEU 91 + QG2 THR 116 OK 30 99 - 30 - 8368=5, 2.1/7989=5...(8) QG1 VAL 115 + QG2 THR 116 OK 26 99 - 26 - 4.3/5126=7, 7969/3.2=4...(7) HG13 ILE 22 + QG2 THR 116 OK 17 92 - 18 - 2.9/6432=3, 7985/2.1=2...(5) QD1 ILE 22 + QG2 THR 116 OK 13 78 - 17 - 3.2/6432=3, 7985/2.1=2...(5) HB2 ASN 118 + QG2 THR 116 OK 12 100 - 12 - 4.6/7981=4, 8001/4.3=1...(5) QD1 LEU 111 + QG2 THR 116 OK 11 68 - 16 - 2.1/7989=4, 2.1/7989=3...(5) QD1 LEU 59 - QG2 THR 116 lone 7 85 - 9 - 3417/4.3=2, 4.6/5904=1 QD2 LEU 55 - QG2 THR 116 poor 7 71 - 10 - 4.0/7010=2, 4.6/247=1 QD2 LEU 114 - QG2 THR 116 lone 6 60 - 9 - 7955/4.3=2, 590/4.1=1 Peak 7989 from cnoeabs.peaks (0.74, 1.27, 22.69 ppm; 3.33 A): 5 out of 8 assignments used, quality = 0.84: QD2 LEU 93 + QG2 THR 116 OK 57 97 - 59 - 2.1/8377=18, 8379=10...(17) QD1 LEU 91 + QG2 THR 116 OK 27 100 - 27 - 2.1/7988=6, 8372/7986=3...(10) HG LEU 111 + QG2 THR 116 OK 23 99 - 23 - 8379=3, 2.1/7988=2...(10) QD2 LEU 111 + QG2 THR 116 OK 20 97 - 20 - 8379=3, 2.1/8379=2...(8) QD1 LEU 84 + QG2 THR 116 OK 18 100 - 18 - 8357=5, 2.1/8356=3...(5) QD1 LEU 114 - QG2 THR 116 lone 7 83 - 8 - 8002/4.3=1, 8357=1, 2.1/7988=1 QG2 ILE 63 - QG2 THR 116 lone 6 89 - 7 - QG2 VAL 66 - QG2 THR 116 lone 2 60 - 3 - Peak 7990 from cnoeabs.peaks (1.91, 1.27, 22.69 ppm; 3.98 A): 8 out of 18 assignments used, quality = 0.89: HB2 LYS 119 + QG2 THR 116 OK 44 65 - 67 - 8457=11, 3.0/5127=9...(21) HB ILE 80 + QG2 THR 116 OK 34 97 - 35 - 6109/3.2=5, 4075=4...(14) HB ILE 22 + QG2 THR 116 OK 31 100 - 31 - 6432=8, 5982/3.2=5...(12) HB2 ARG 81 + QG2 THR 116 OK 19 100 - 19 - 3.0/8605=5, 4.0/389=3...(5) HG LEU 58 + QG2 THR 116 OK 17 83 - 21 - 2.1/7063=5, 5648/4.3=3...(5) HB2 LEU 84 + QG2 THR 116 OK 17 98 - 17 - 3.1/7989=4, 3.0/8359=3 HB3 MET 11 + QG2 THR 116 OK 15 100 - 15 - 1851/2.1=3, 8597/4.3=2...(8) HG LEU 84 + QG2 THR 116 OK 12 73 - 17 - 2.1/7989=5, 2.1/8356=4, 8359=3 HB2 LEU 21 - QG2 THR 116 poor 10 93 - 10 - 4.6/6430=3, 1.8/7987=2 HG LEU 55 - QG2 THR 116 poor 8 63 - 13 - 4.3/7010=3, 4.7/247=2...(4) HB3 LYS 31 - QG2 THR 116 lone 5 65 - 8 - 4.7/906=2, 2.9/7992=1 HB2 LYS 109 - QG2 THR 116 lone 4 71 - 6 - HB3 GLU 73 - QG2 THR 116 lone 4 100 - 4 - HB2 GLU 28 - QG2 THR 116 lone 3 99 - 4 - HB VAL 50 - QG2 THR 116 lone 3 65 - 5 - 2.1/7986=2 HB2 GLU 38 - QG2 THR 116 lone 2 60 - 3 - 3.8/8171=1 HB3 GLU 64 - QG2 THR 116 lone 2 76 - 2 - HB2 GLU 64 - QG2 THR 116 lone 2 71 - 2 - Peak 7991 from cnoeabs.peaks (2.27, 1.27, 22.69 ppm; 4.00 A): 5 out of 8 assignments used, quality = 0.71: HB VAL 120 + QG2 THR 116 OK 53 76 - 69 - 2.1/7986=28, 2.1/7987=26...(13) HG3 GLU 94 + QG2 THR 116 OK 12 99 - 12 - 4.9/8171=9 HG3 GLN 105 + QG2 THR 116 OK 12 99 - 12 - 4.1/5128=2, 4795/2.1=1 HG2 GLN 105 + QG2 THR 116 OK 12 99 - 12 - 4.1/5128=2, 4795/2.1=1 HB2 CYS 87 + QG2 THR 116 OK 10 99 - 11 - 7540/8377=2, 7541/7989=1 HG3 GLU 15 - QG2 THR 116 lone 6 73 - 8 - 1929/3.2=2, ~1923=1, 4.1/5127=1 HG2 GLU 56 - QG2 THR 116 lone 3 60 - 5 - 4.9/7981=2 HG2 GLN 16 - QG2 THR 116 lone 3 57 - 5 - 4.0/6323=1 Peak 7992 from cnoeabs.peaks (1.46, 1.27, 22.69 ppm; 3.58 A): 7 out of 17 assignments used, quality = 0.94: HB2 LEU 93 + QG2 THR 116 OK 64 100 - 64 - 3.1/8377=15, 3.1/7989=10...(18) HG2 LYS 119 + QG2 THR 116 OK 54 100 - 54 - 2.9/8457=8, 3.0/7993=6...(21) HG LEU 93 + QG2 THR 116 OK 37 63 - 59 - 2.1/8377=20, 2.1/7989=13...(14) HG LEU 91 + QG2 THR 116 OK 18 71 - 25 - 2.1/8368=7, 2.1/7989=6...(8) HB3 LEU 58 + QG2 THR 116 OK 15 76 - 20 - 3.1/7987=3, 5647/4.3=2...(6) HB3 LEU 101 + QG2 THR 116 OK 12 71 - 17 - 3.1/7987=5, 3.1/7706=2...(6) QB ALA 14 + QG2 THR 116 OK 11 100 - 10 - 6315/4.1=3, 2.1/8605=1 HG3 LYS 31 - QG2 THR 116 lone 9 100 - 9 - HG3 ARG 57 - QG2 THR 116 lone 9 100 - 9 - 5.1/7981=2, 1.8/7993=1 HD2 LYS 46 - QG2 THR 116 lone 6 99 - 6 - HG2 LYS 109 - QG2 THR 116 lone 5 90 - 5 - QB ALA 89 - QG2 THR 116 lone 4 73 - 5 - HG LEU 24 - QG2 THR 116 lone 3 93 - 3 - HB3 LEU 45 - QG2 THR 116 lone 2 93 - 3 - HB3 GLU 75 - QG2 THR 116 lone 2 93 - 2 - HD2 LYS 65 - QG2 THR 116 lone 2 81 - 2 - HD3 LYS 65 - QG2 THR 116 lone 2 81 - 2 - Peak 7993 from cnoeabs.peaks (1.58, 1.27, 22.69 ppm; 4.49 A): 7 out of 12 assignments used, quality = 0.93: HD2 LYS 119 + QG2 THR 116 OK 59 95 - 63 - 3.7/8457=11, 3.0/8170=11...(20) HD3 LYS 119 + QG2 THR 116 OK 58 93 - 63 - 3.7/8457=11, 3.0/8170=11...(20) HD2 LYS 32 + QG2 THR 116 OK 17 65 - 27 - 3.5/2500=3, 3.5/2510=3...(11) HD3 LYS 32 + QG2 THR 116 OK 17 65 - 27 - 3.5/2500=3, 3.5/2510=3...(11) HG3 ARG 81 + QG2 THR 116 OK 17 100 - 17 - 4.0/8605=6, 2.9/7990=3 HG2 ARG 81 + QG2 THR 116 OK 17 100 - 17 - 4.0/8605=6, 2.9/7990=3 HG2 ARG 57 + QG2 THR 116 OK 11 100 - 11 - 5.1/7981=3, 1.8/7992=2 HG12 ILE 63 - QG2 THR 116 lone 5 85 - 6 - 3.2/7989=1 HG2 ARG 53 - QG2 THR 116 lone 4 65 - 6 - 5.0/8171=3 HG LEU 126 - QG2 THR 116 lone 2 96 - 3 - HB2 LEU 126 - QG2 THR 116 lone 2 85 - 3 - HB3 LEU 126 - QG2 THR 116 lone 2 83 - 3 - Peak 7994 from cnoeabs.peaks (6.79, 1.77, 41.55 ppm; 4.83 A): 3 out of 5 assignments used, quality = 0.96: HH2 TRP 20 + HB2 LEU 117 OK 89 100 - 89 - 4661/3.1=31, 4658/1.8=31...(20) H VAL 110 + HB2 LEU 117 OK 44 100 - 44 - 8000/3.1=8, 1746/3.0=8...(12) QE TYR 67 + HB2 LEU 117 OK 36 100 - 36 - 8000/3.1=7, 7995/1.8=6...(10) HE21 GLN 42 - HB2 LEU 117 poor 9 65 - 13 - 4.4/5142=2, 7996/3.0=2...(4) HD22 ASN 99 - HB2 LEU 117 lone 2 60 - 3 - Peak 7995 from cnoeabs.peaks (6.80, 2.23, 41.55 ppm; 4.89 A): 3 out of 3 assignments used, quality = 0.91: HH2 TRP 20 + HB3 LEU 117 OK 82 95 - 87 - 4658=31, 4661/3.1=29...(14) H VAL 110 + HB3 LEU 117 OK 30 89 - 34 - 7994/1.8=8, 8000/3.1=8...(6) QE TYR 67 + HB3 LEU 117 OK 25 87 - 29 - 7994/1.8=7, 8000/3.1=6...(6) Peak 7996 from cnoeabs.peaks (6.79, 1.76, 27.10 ppm; 4.31 A): 3 out of 10 assignments used, quality = 0.91: HH2 TRP 20 + HG LEU 117 OK 81 100 - 81 - 4661/2.1=32, 4658/3.0=21...(17) H VAL 110 + HG LEU 117 OK 34 100 - 34 - 8000/2.1=8, 7994/3.0=7...(9) QE TYR 67 + HG LEU 117 OK 29 100 - 29 - 8000/2.1=7, 7994/3.0=5...(6) QE TYR 67 - HG3 PRO 30 poor 9 69 - 13 - ~6584=2, 4698=2, ~6586=2...(5) H VAL 110 - HG3 PRO 30 poor 8 69 - 12 - 4.6/4897=2, 552/2.3=2...(5) HE21 GLN 42 - HG LEU 117 poor 8 65 - 12 - 4.4/2831=1, 3.5/2855=1...(5) HH2 TRP 20 - HG3 PRO 30 poor 7 69 - 10 - 2.5/4649=2, 4659=2, ~6583=2 HE21 GLN 42 - HG3 PRO 30 poor 6 38 - 16 - 3.5/2855=3, 4.4/2831=2...(8) HD22 ASN 99 - HG LEU 117 lone 1 60 - 2 - HD22 ASN 99 - HG3 PRO 30 lone 1 35 - 2 - Peak 7997 from cnoeabs.peaks (7.30, 1.13, 26.08 ppm; 4.78 A): 3 out of 3 assignments used, quality = 0.49: HD1 TRP 20 + QD2 LEU 117 OK 34 92 - 37 - 5.0/4651=15, 6.6/4661=12...(4) QD PHE 96 + QD2 LEU 117 OK 12 63 - 19 - 3.8/7998=12 HZ PHE 40 + QD2 LEU 117 OK 12 99 - 12 - 8411/2.1=2, 6535/6526=2...(5) Peak 7998 from cnoeabs.peaks (7.08, 1.13, 26.08 ppm; 3.81 A): 0 out of 4 assignments used, low quality = 0.38: H LEU 93 - QD2 LEU 117 OK 27 93 - 29 - 4.7/8378=5, 3.8/8014=4...(9) HZ PHE 96 - QD2 LEU 117 OK 15 100 - 15 - 3.8/7997=4, 7948/7960=3 HE ARG 92 - QD2 LEU 117 lone 3 60 - 4 - HD2 HIS 10 - QD2 LEU 117 lone 0 78 - 1 - Peak 7999 from cnoeabs.peaks (6.91, 1.13, 26.08 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.72: HZ3 TRP 20 + QD2 LEU 117 OK 68 90 - 76 - 2.4/4661=30, 4.3/4651=15...(16) H LYS 46 + QD2 LEU 117 OK 12 96 - 13 - 7949/7960=2, 2095/4661=2 HE22 GLN 103 - QD2 LEU 117 lone 8 95 - 8 - 1.7/5910=1, 7949/7960=1 HD22 ASN 106 - QD2 LEU 117 lone 2 60 - 3 - Peak 8000 from cnoeabs.peaks (6.79, 1.13, 26.08 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.88: HH2 TRP 20 + QD2 LEU 117 OK 79 100 - 80 - 4661=34, 2.4/7999=18...(18) H VAL 110 + QD2 LEU 117 OK 24 99 - 25 - 7996/2.1=5, 7994/3.1=4...(6) QE TYR 67 + QD2 LEU 117 OK 20 99 - 20 - 7996/2.1=4, 7994/3.1=4...(5) Peak 8003 from cnoeabs.peaks (0.82, 3.99, 57.98 ppm; 3.73 A): 5 out of 10 assignments used, quality = 0.92: QD1 LEU 93 + HA LEU 117 OK 58 99 - 59 - 7607=24, 8378/3.8=7...(15) QD2 LEU 91 + HA LEU 117 OK 43 99 - 44 - 8369/3.8=7, 7590/3.0=7...(16) QD1 LEU 59 + HA LEU 117 OK 37 85 - 44 - 7084/3.0=5, 3417/3.0=5...(19) HB2 ASN 118 + HA LEU 117 OK 32 100 - 32 - 5178/3.6=13, 4.6/1788=6...(7) QG1 VAL 115 + HA LEU 117 OK 25 99 - 25 - 8001/3.0=4, 1377/3.6=4...(9) QD1 LEU 111 - HA LEU 117 OK 20 68 - 30 - 2.1/8004=5, 2.1/8004=5...(11) QD2 LEU 114 - HA LEU 117 OK 19 60 - 32 - 7960/3.8=7, 7955/3.0=5...(9) QD2 LEU 55 - HA LEU 117 OK 16 71 - 22 - 8554/3.8=2, 2.1/5135=2...(8) HG13 ILE 22 - HA LEU 117 OK 13 92 - 14 - 8001/3.0=2, 1377/3.6=1...(4) QD1 ILE 22 - HA LEU 117 poor 10 78 - 12 - 3.0/5135=1, 8001/3.0=1 Peak 8004 from cnoeabs.peaks (0.74, 3.99, 57.98 ppm; 3.91 A): 7 out of 8 assignments used, quality = 0.95: QD2 LEU 93 + HA LEU 117 OK 50 97 - 52 - 2.1/7607=18, 7602=6...(16) QD1 LEU 91 + HA LEU 117 OK 43 100 - 43 - 2.1/8003=6, 8372/3.8=6...(17) HG LEU 111 + HA LEU 117 OK 37 99 - 37 - 8002/3.0=4, 7602=3...(16) QD2 LEU 111 + HA LEU 117 OK 35 97 - 36 - 8002/3.0=3, 3.1/8006=3...(16) QD1 LEU 114 + HA LEU 117 OK 31 83 - 38 - ~7955=6, 7489=5, ~7958=5...(12) QD1 LEU 84 + HA LEU 117 OK 28 100 - 28 - 7489=6, 2.1/7490=4...(8) QG2 VAL 66 + HA LEU 117 OK 13 60 - 22 - ~7181=3, 7192/3.8=2...(10) QG2 ILE 63 - HA LEU 117 poor 9 89 - 10 - 4.0/289=2 Peak 8005 from cnoeabs.peaks (1.26, 3.99, 57.98 ppm; 4.45 A): 6 out of 8 assignments used, quality = 0.89: QG2 THR 116 + HA LEU 117 OK 65 97 - 66 - 8605=24, 5904/3.0=17...(12) QG2 ILE 80 + HA LEU 117 OK 31 99 - 32 - 7409=9, 595/3.0=5...(9) QD1 ILE 80 + HA LEU 117 OK 25 98 - 25 - 3.2/7409=6, 595/3.0=5...(8) HG LEU 54 + HA LEU 117 OK 20 76 - 26 - 3201/3.8=6, ~8008=4...(8) HG3 LYS 32 + HA LEU 117 OK 14 100 - 14 - 595/3.0=3, 2527/3.0=2...(4) QG2 THR 19 + HA LEU 117 OK 11 100 - 11 - 595/3.0=3, ~593=2...(4) HG13 ILE 124 - HA LEU 117 lone 4 83 - 5 - HG LEU 77 - HA LEU 117 lone 1 68 - 1 - Peak 8006 from cnoeabs.peaks (1.38, 3.99, 57.98 ppm; 4.58 A): 4 out of 8 assignments used, quality = 0.95: QG2 THR 121 + HA LEU 117 OK 66 99 - 67 - 8093=18, 4.0/1801=12...(13) HB3 LEU 93 + HA LEU 117 OK 55 100 - 56 - 3.1/7607=19, 3.1/8004=7...(18) HG LEU 59 + HA LEU 117 OK 47 87 - 54 - 3410/3.0=7, 2.1/8003=6...(20) HB2 LEU 111 + HA LEU 117 OK 42 99 - 42 - 3.0/8004=6, 3.1/8004=5...(16) HB2 LEU 27 - HA LEU 117 OK 30 95 - 32 - 1.8/8534=6, 8014/3.8=5...(8) HB VAL 110 - HA LEU 117 OK 28 97 - 29 - 6195=6, 2.1/7880=5...(7) QB ALA 122 - HA LEU 117 poor 8 60 - 14 - ~1804=4, 8094/3.0=2...(6) HG2 LYS 31 - HA LEU 117 lone 8 95 - 9 - 8055/8060=1 Peak 8007 from cnoeabs.peaks (0.85, 1.77, 41.55 ppm; 4.18 A): 5 out of 10 assignments used, quality = 0.94: QD2 LEU 114 + HB2 LEU 117 OK 61 100 - 61 - 7960/3.1=18, 7958/1.8=12...(14) QD1 LEU 59 + HB2 LEU 117 OK 52 97 - 54 - 7084=10, 7084/3.0=6...(22) QD1 LEU 93 + HB2 LEU 117 OK 37 73 - 50 - 7607/3.0=12, 8378/3.1=8...(19) QD2 LEU 55 + HB2 LEU 117 OK 35 100 - 35 - 7084=4, 8009/1.8=4...(14) QD2 LEU 59 + HB2 LEU 117 OK 24 60 - 41 - 2.1/7084=8, 4.6/5137=5...(16) QG1 VAL 49 - HB2 LEU 117 OK 22 60 - 36 - 8493/3.1=6, 2.1/5142=4...(18) QG1 VAL 115 - HB2 LEU 117 OK 18 76 - 23 - 8009/1.8=3, 2.1/5142=2...(8) HG13 ILE 22 - HB2 LEU 117 OK 14 92 - 15 - 8009/1.8=2, 8554/3.1=1...(4) QD2 LEU 126 - HB2 LEU 117 poor 10 85 - 11 - 4.7/5906=2, 5417/4.2=1 HG13 ILE 80 - HB2 LEU 117 lone 9 90 - 9 - ~7409=3, ~8005=3 Peak 8008 from cnoeabs.peaks (0.72, 1.77, 41.55 ppm; 4.70 A): 5 out of 7 assignments used, quality = 0.96: QD2 LEU 54 + HB2 LEU 117 OK 61 96 - 64 - ~8013=17, 8012/3.1=14...(17) QD1 LEU 114 + HB2 LEU 117 OK 61 100 - 61 - ~7960=13, 4.0/6238=12...(16) QG1 VAL 66 + HB2 LEU 117 OK 38 76 - 50 - 8012/3.1=8, 7181/1.8=6...(21) QD1 LEU 91 + HB2 LEU 117 OK 38 71 - 53 - ~8369=8, 8372/3.1=6...(23) QD2 LEU 111 + HB2 LEU 117 OK 35 93 - 37 - ~8004=4, ~7908=4...(15) HG3 GLU 75 - HB2 LEU 117 OK 26 90 - 28 - 8012/3.1=3, 3974=3...(12) QD1 LEU 84 - HB2 LEU 117 OK 12 60 - 19 - 7489/3.0=3, ~7490=3...(7) Peak 8009 from cnoeabs.peaks (0.84, 2.23, 41.55 ppm; 4.38 A): 4 out of 10 assignments used, quality = 0.96: QD2 LEU 114 + HB3 LEU 117 OK 66 98 - 67 - 7960/3.1=19, 7958=14...(16) QD1 LEU 59 + HB3 LEU 117 OK 56 100 - 56 - 7084/1.8=9, 7084/3.0=7...(23) QD1 LEU 93 + HB3 LEU 117 OK 54 93 - 58 - 7607/3.0=17, 8378/3.1=10...(18) QD2 LEU 55 + HB3 LEU 117 OK 38 100 - 38 - 8007/1.8=5, 8554/3.1=4...(15) QD2 LEU 91 - HB3 LEU 117 OK 33 65 - 50 - 8369/3.1=7, 2.1/8010=6...(18) HB2 ASN 118 - HB3 LEU 117 OK 30 81 - 37 - 4.0/599=14, ~8024=5...(9) QG1 VAL 115 - HB3 LEU 117 OK 27 95 - 28 - 1377/4.2=4, 8001/4.0=4...(11) HG13 ILE 22 - HB3 LEU 117 OK 19 100 - 19 - 8554/3.1=2, 8007/1.8=2...(7) QD2 LEU 126 - HB3 LEU 117 poor 7 60 - 12 - 4.7/5907=2, 2.1/5149=1...(5) HG13 ILE 80 - HB3 LEU 117 lone 6 68 - 10 - ~7409=3, ~8005=3, 8007/1.8=1 Peak 8010 from cnoeabs.peaks (0.74, 2.23, 41.55 ppm; 5.23 A): 5 out of 7 assignments used, quality = 0.98: QD1 LEU 91 + HB3 LEU 117 OK 65 100 - 65 - 8372/3.1=10, ~8369=9...(22) QD2 LEU 93 + HB3 LEU 117 OK 61 90 - 67 - ~7607=16, ~8378=9...(21) QD1 LEU 114 + HB3 LEU 117 OK 59 92 - 65 - ~7960=16, 4.0/6240=15...(16) HG LEU 111 + HB3 LEU 117 OK 46 96 - 48 - 8004/3.0=7, 8002/4.0=5...(18) QD2 LEU 111 + HB3 LEU 117 OK 45 99 - 46 - 8004/3.0=6, 2.1/7908=5...(18) QD1 LEU 84 - HB3 LEU 117 OK 26 98 - 27 - 7489/3.0=6, ~7490=4...(7) QG2 ILE 63 - HB3 LEU 117 OK 11 78 - 14 - 8004/3.0=2, 8002/4.0=1...(4) Peak 8011 from cnoeabs.peaks (1.00, 1.76, 27.10 ppm; 4.38 A): 8 out of 18 assignments used, quality = 0.91: HB3 LEU 27 + HG LEU 117 OK 39 100 - 39 - ~6526=6, ~8014=4...(15) QD1 LEU 58 + HG LEU 117 OK 38 100 - 38 - 7061=6, 8534/3.6=6...(11) QG1 VAL 120 + HG LEU 117 OK 35 60 - 59 - 8534/3.6=10, 2.1/8057=9...(16) QD2 LEU 58 + HG LEU 117 OK 30 99 - 31 - 2.1/7061=5, 8534/3.6=4...(9) QD1 LEU 101 + HG3 PRO 30 OK 22 57 - 39 - ~8249=4, 4673/3.8=4...(15) QG1 VAL 18 + HG LEU 117 OK 12 89 - 13 - 5649/4.8=1, ~6360=1 QD1 LEU 58 + HG3 PRO 30 OK 11 69 - 16 - 7061=3, 3386/2.3=1, ~6368=1 QD2 LEU 58 + HG3 PRO 30 OK 11 66 - 16 - 2.1/7061=2, 6368/1.8=2 QD1 LEU 101 - HG LEU 117 poor 10 90 - 11 - HB3 LEU 27 - HG3 PRO 30 lone 7 68 - 10 - ~6598=1, ~6595=1 HG3 LYS 65 - HG LEU 117 lone 6 81 - 8 - 4.0/8016=4 HG2 LYS 65 - HG LEU 117 lone 6 81 - 8 - 4.0/8016=4 QG1 VAL 18 - HG3 PRO 30 poor 6 55 - 10 - 8195/6635=2, 6364/6649=2 QG1 VAL 120 - HG3 PRO 30 poor 4 35 - 11 - 2.1/8057=2, ~8035=2...(4) HG3 LYS 65 - HG3 PRO 30 lone 2 49 - 4 - HG2 LYS 65 - HG3 PRO 30 lone 2 49 - 4 - QG2 THR 95 - HG LEU 117 lone 2 65 - 3 - QG2 THR 95 - HG3 PRO 30 lone 1 38 - 2 - Peak 8012 from cnoeabs.peaks (0.71, 1.13, 26.08 ppm; 3.31 A): 5 out of 6 assignments used, quality = 0.83: QD2 LEU 54 + QD2 LEU 117 OK 50 100 - 50 - 2.1/8013=17, 3215=7...(17) QD1 LEU 114 + QD2 LEU 117 OK 38 92 - 41 - 2.1/7960=14, 4.0/7941=8...(12) QG1 VAL 66 + QD2 LEU 117 OK 30 95 - 31 - 7178/2.1=4, 3672/2.1=4...(11) HG3 GLU 75 + QD2 LEU 117 OK 12 99 - 12 - 3974/2.1=2, 3974/3.1=2 QD2 LEU 111 + QD2 LEU 117 OK 11 73 - 15 - 3.1/8014=2, 8008/3.1=2...(5) QD1 LEU 77 - QD2 LEU 117 lone 4 83 - 5 - Peak 8013 from cnoeabs.peaks (0.21, 1.13, 26.08 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.74: QD1 LEU 54 + QD2 LEU 117 OK 67 99 - 68 - 2.1/8012=15, 3208=10...(22) QD2 LEU 21 + QD2 LEU 117 OK 20 68 - 29 - 6412=6, 4665/4661=3...(9) QD1 ILE 34 - QD2 LEU 117 poor 6 60 - 10 - 6530/2.1=1, 6649/2.1=1 Peak 8014 from cnoeabs.peaks (1.38, 1.13, 26.08 ppm; 4.15 A): 5 out of 7 assignments used, quality = 0.94: QG2 THR 121 + QD2 LEU 117 OK 63 100 - 63 - 8087=11, 8084/2.1=10...(18) HB3 LEU 93 + QD2 LEU 117 OK 47 100 - 47 - 3.8/7998=16, 3.1/8378=9...(14) HG LEU 59 + QD2 LEU 117 OK 38 81 - 47 - 2.1/8554=7, ~7084=5...(18) HB2 LEU 27 + QD2 LEU 117 OK 37 90 - 41 - 3.1/6526=9, 4.3/6543=6...(13) HB2 LEU 111 + QD2 LEU 117 OK 26 98 - 26 - 8006/3.8=3, 3.1/8012=3...(9) HB VAL 110 - QD2 LEU 117 OK 15 95 - 16 - 4.0/8000=5, 6195/3.8=3 HG2 LYS 31 - QD2 LEU 117 lone 7 97 - 7 - Peak 8015 from cnoeabs.peaks (4.30, 1.13, 26.08 ppm; 4.13 A): 4 out of 5 assignments used, quality = 0.81: HA LEU 114 + QD2 LEU 117 OK 65 97 - 67 - 7941=26, 4.0/7960=13...(11) HB3 SER 113 + QD2 LEU 117 OK 21 99 - 21 - 1780/4.6=4, 6240/3.1=4...(5) HA LYS 65 + QD2 LEU 117 OK 18 92 - 20 - 8016/2.1=4, 6240/3.1=4...(5) HB2 SER 78 + QD2 LEU 117 OK 16 99 - 16 - 8016/2.1=3, 6240/3.1=3...(6) HB THR 17 - QD2 LEU 117 lone 3 76 - 4 - Peak 8016 from cnoeabs.peaks (4.30, 1.76, 27.10 ppm; 4.99 A): 4 out of 12 assignments used, quality = 0.87: HA LEU 114 + HG LEU 117 OK 66 99 - 66 - 7941/2.1=25, 6240/3.0=16...(8) HA LYS 65 + HG LEU 117 OK 32 97 - 32 - 8015/2.1=7, 6240/3.0=6...(7) HB3 SER 113 + HG LEU 117 OK 28 100 - 28 - 8015/2.1=8, 6240/3.0=6...(4) HB2 SER 78 + HG LEU 117 OK 23 100 - 23 - 8015/2.1=6, 6238/3.0=5...(5) HB3 SER 113 - HG3 PRO 30 poor 8 69 - 12 - ~6608=2, ~6609=2...(4) HA LYS 65 - HG3 PRO 30 poor 8 64 - 12 - ~6584=2, ~6585=1, ~6586=1 HA LEU 114 - HG3 PRO 30 lone 5 68 - 8 - 6237=1, ~1711=1 HA GLN 103 - HG LEU 117 lone 5 68 - 7 - 6238/3.0=2, 6240/3.0=1 HB THR 17 - HG LEU 117 lone 4 63 - 6 - 8015/2.1=1, ~6335=1 HB THR 17 - HG3 PRO 30 lone 3 36 - 8 - ~8459=3, ~5967=3 HB2 SER 78 - HG3 PRO 30 lone 3 69 - 4 - HA GLN 103 - HG3 PRO 30 lone 1 40 - 3 - Peak 8018 from cnoeabs.peaks (6.80, 3.55, 56.04 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.84: HH2 TRP 20 + HA ASN 118 OK 75 99 - 76 - 2.5/8019=39, 4657=27...(12) H VAL 110 + HA ASN 118 OK 26 97 - 27 - 4.7/6262=8, 8017/3.0=6...(9) QE TYR 67 + HA ASN 118 OK 11 96 - 12 - 8017/3.0=4, 4693=2, 2087/8019=2 Peak 8019 from cnoeabs.peaks (7.33, 3.55, 56.04 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.68: HZ2 TRP 20 + HA ASN 118 OK 68 100 - 68 - 4648=34, 2.5/8018=18...(11) Peak 8021 from cnoeabs.peaks (1.01, 3.55, 56.04 ppm; 4.52 A): 5 out of 9 assignments used, quality = 0.91: QD1 LEU 58 + HA ASN 118 OK 56 100 - 57 - 7049/8019=13, 3382/3.0=8...(17) QD2 LEU 58 + HA ASN 118 OK 46 95 - 49 - 8028/3.6=7, 4.9/7072=7...(15) QG1 VAL 120 + HA ASN 118 OK 40 73 - 54 - 3.9/6262=17, 8069/3.6=10...(13) HB3 LEU 27 + HA ASN 118 OK 25 100 - 25 - 1.8/8023=4, 3.0/6263=3...(10) QG1 VAL 18 + HA ASN 118 OK 18 78 - 22 - 2.1/5175=3, 8028/3.6=2...(10) QD1 LEU 101 - HA ASN 118 lone 7 81 - 9 - 8028/3.6=2 QD2 LEU 101 - HA ASN 118 lone 4 71 - 6 - HG2 LYS 65 - HA ASN 118 lone 2 68 - 3 - HG3 LYS 65 - HA ASN 118 lone 2 68 - 3 - Peak 8022 from cnoeabs.peaks (1.13, 3.55, 56.04 ppm; 5.00 A): 3 out of 5 assignments used, quality = 0.96: QD2 LEU 117 + HA ASN 118 OK 81 99 - 82 - 602/3.0=15, ~599=11...(25) QG2 VAL 120 + HA ASN 118 OK 66 100 - 66 - 3.9/6262=20, 8041/3.6=16...(18) HB3 LEU 54 + HA ASN 118 OK 32 63 - 50 - 3.1/6997=9, 1.8/6053=8...(15) QG2 VAL 50 - HA ASN 118 OK 25 99 - 25 - 4.3/999=4, 602/3.0=4...(7) QG2 THR 62 - HA ASN 118 OK 21 85 - 25 - 8027/3.6=6, 7118/3.0=4...(8) Peak 8023 from cnoeabs.peaks (1.39, 3.55, 56.04 ppm; 4.72 A): 7 out of 8 assignments used, quality = 0.95: QG2 THR 121 + HA ASN 118 OK 63 96 - 66 - 8092=19, 4.0/6262=18...(13) HB2 LEU 111 + HA ASN 118 OK 38 100 - 38 - 3.8/6262=12, ~6245=5...(10) HG LEU 59 + HA ASN 118 OK 38 95 - 40 - 5.1/7072=7, 2.1/8644=6...(13) HB VAL 110 + HA ASN 118 OK 26 100 - 26 - 4.4/6262=10, 4.0/8018=7...(5) HB2 LEU 27 + HA ASN 118 OK 24 99 - 24 - 1.8/8021=5, 3.0/6263=3...(7) HB3 LEU 93 + HA ASN 118 OK 20 99 - 20 - 3.1/5174=3, ~1377=2...(6) QB ALA 122 + HA ASN 118 OK 17 73 - 24 - 2.9/1806=14, ~8095=5...(4) HG2 LYS 31 - HA ASN 118 lone 5 87 - 6 - Peak 8024 from cnoeabs.peaks (1.78, 3.55, 56.04 ppm; 4.96 A): 2 out of 15 assignments used, quality = 0.93: HB2 LEU 117 + HA ASN 118 OK 76 100 - 76 - 598/3.0=18, ~599=15...(23) HG LEU 117 + HA ASN 118 OK 71 93 - 76 - 2.1/8022=14, ~599=11...(20) HB2 PRO 60 - HA ASN 118 OK 22 65 - 34 - 1.8/3464=5, 3.0/3443=5...(10) HB3 GLU 56 - HA ASN 118 OK 15 90 - 17 - 4.6/5911=5, 598/3.0=3...(5) HD3 LYS 109 - HA ASN 118 OK 12 97 - 13 - 3.9/7847=4, 3.9/7846=2 HD2 LYS 109 - HA ASN 118 OK 12 93 - 12 - 3.9/7847=4, 3.9/7846=2 HB2 PRO 37 - HA ASN 118 OK 11 97 - 12 - 598/3.0=2, ~599=2 HG3 PRO 30 - HA ASN 118 OK 10 95 - 11 - 598/3.0=2, 6591/8019=1 HB3 LYS 46 - HA ASN 118 poor 8 71 - 11 - 4.4/983=2, 600/3.0=1...(4) HB2 GLU 75 - HA ASN 118 lone 7 100 - 7 - 4649/8019=1, 598/3.0=1 HB2 LEU 45 - HA ASN 118 lone 5 76 - 7 - 3.1/6847=1, 4649/8019=1 HG2 GLN 42 - HA ASN 118 lone 5 89 - 5 - HB2 LYS 32 - HA ASN 118 lone 4 97 - 4 - HB VAL 66 - HA ASN 118 lone 3 60 - 5 - 600/3.0=1 HG3 ARG 71 - HA ASN 118 lone 3 83 - 3 - Peak 8030 from cnoeabs.peaks (0.82, 1.88, 32.09 ppm; 4.51 A): 6 out of 10 assignments used, quality = 0.95: QG1 VAL 115 + HB2 LYS 119 OK 64 99 - 64 - 7965/2.9=9, 7964/2.9=9...(14) QD1 LEU 59 + HB2 LYS 119 OK 40 85 - 47 - 4.6/5915=6, 2.1/8414=6...(19) QD2 LEU 91 + HB2 LYS 119 OK 34 99 - 34 - 7590/4.7=7, 8369/8032=4...(13) HG13 ILE 22 + HB2 LYS 119 OK 32 92 - 35 - ~8033=4, 8475/3.0=2...(17) QD1 LEU 93 + HB2 LYS 119 OK 31 99 - 31 - 8062/4.7=4, 8378/8032=3...(13) HB2 ASN 118 + HB2 LYS 119 OK 29 100 - 29 - 5912/4.0=15, 8062/4.7=3...(9) QD1 ILE 22 - HB2 LYS 119 OK 25 78 - 32 - 8033/1.8=2, 6438/3.0=2...(14) QD2 LEU 55 - HB2 LYS 119 OK 19 71 - 27 - 8062/4.7=3, 4.0/3223=2...(12) QD1 LEU 111 - HB2 LYS 119 OK 13 68 - 19 - 7910/1.8=2, 8166/2.9=2...(5) QD2 LEU 114 - HB2 LYS 119 poor 9 60 - 16 - 7955/4.7=3, 7957/4.0=2 Peak 8031 from cnoeabs.peaks (1.03, 1.88, 32.09 ppm; 4.37 A): 5 out of 6 assignments used, quality = 0.93: QG1 VAL 120 + HB2 LYS 119 OK 76 100 - 76 - 2.1/8032=18, 1394/4.7=16...(19) QD1 LEU 58 + HB2 LYS 119 OK 40 71 - 56 - 2.1/3370=6, 4.9/5915=6...(25) QD2 LEU 101 + HB2 LYS 119 OK 33 100 - 33 - 8034/1.8=5, 1394/4.7=3...(11) HB3 LEU 21 + HB2 LYS 119 OK 16 76 - 21 - 8034/1.8=3, 1394/4.7=2...(8) HB3 LEU 27 + HB2 LYS 119 OK 14 83 - 16 - 1394/4.7=2, ~6272=2...(4) QG2 THR 33 - HB2 LYS 119 lone 4 71 - 5 - Peak 8032 from cnoeabs.peaks (1.12, 1.88, 32.09 ppm; 4.40 A): 4 out of 4 assignments used, quality = 0.90: QG2 VAL 120 + HB2 LYS 119 OK 74 100 - 74 - 1395/4.7=16, 2.1/8031=16...(17) QD2 LEU 117 + HB2 LYS 119 OK 30 96 - 31 - 1395/4.7=8, 8027/4.0=7...(6) QG2 THR 62 + HB2 LYS 119 OK 26 93 - 28 - 7114=5, 8027/4.0=5...(10) QG2 VAL 50 + HB2 LYS 119 OK 23 96 - 24 - 3064=3, 8035/1.8=3...(9) Peak 8033 from cnoeabs.peaks (0.80, 1.94, 32.09 ppm; 4.90 A): 7 out of 10 assignments used, quality = 0.94: QD1 ILE 22 + HB3 PRO 30 OK 53 88 - 61 - 6439/3.0=31, 6596/3.0=15...(12) QD2 LEU 91 + HB3 PRO 30 OK 44 71 - 62 - 6596/3.0=10, 4401/2.3=7...(23) QD1 ILE 22 + HB3 LYS 119 OK 35 100 - 35 - ~8030=3, 6438/3.0=3...(18) QD2 LEU 91 + HB3 LYS 119 OK 27 87 - 31 - 7590/4.7=7, 605/4.0=3...(7) QD1 LEU 111 + HB3 LYS 119 OK 24 100 - 24 - 7910=5, 8166/2.9=3...(7) QD1 LEU 111 + HB3 PRO 30 OK 22 88 - 25 - 7900/3.0=6, 7910=5...(8) HB2 ASN 118 + HB3 LYS 119 OK 18 73 - 25 - 4.6/5210=15, 8030/1.8=2...(4) QG2 VAL 66 - HB3 PRO 30 lone 5 56 - 8 - HB2 ASN 118 - HB3 PRO 30 lone 5 59 - 8 - 4.6/1384=3 QG2 VAL 66 - HB3 LYS 119 lone 3 71 - 4 - Peak 8034 from cnoeabs.peaks (1.04, 1.94, 32.09 ppm; 4.49 A): 4 out of 10 assignments used, quality = 0.96: QG1 VAL 120 + HB3 LYS 119 OK 80 99 - 80 - 1394/4.7=17, 8061/3.0=16...(21) HG13 ILE 34 + HB3 PRO 30 OK 48 54 - 88 - ~6647=17, ~6603=17...(19) QD2 LEU 101 + HB3 PRO 30 OK 46 87 - 53 - 7715=7, 8249/2.3=5...(23) QD2 LEU 101 + HB3 LYS 119 OK 37 100 - 37 - 8031/1.8=7, 7715=5...(9) HB3 LEU 21 - HB3 LYS 119 OK 23 95 - 24 - 8031/1.8=3, 1394/4.7=2...(14) QG1 VAL 120 - HB3 PRO 30 OK 23 86 - 26 - 5291/5.0=4, 2.1/8035=3...(8) HB3 LEU 21 - HB3 PRO 30 OK 11 79 - 14 - 8249/2.3=2, 8247/2.3=1 QG2 THR 33 - HB3 PRO 30 lone 6 76 - 8 - 8249/2.3=2, 8247/2.3=1 QG2 THR 33 - HB3 LYS 119 lone 5 92 - 5 - HG13 ILE 34 - HB3 LYS 119 lone 3 68 - 5 - 2.1/6604=1 Peak 8035 from cnoeabs.peaks (1.13, 1.94, 32.09 ppm; 4.85 A): 6 out of 10 assignments used, quality = 0.95: QG2 VAL 120 + HB3 LYS 119 OK 74 97 - 77 - 8032/1.8=20, 1395/4.7=18...(15) QD2 LEU 117 + HB3 PRO 30 OK 38 88 - 43 - ~7086=5, 5167/2.3=4...(24) QD2 LEU 117 + HB3 LYS 119 OK 33 100 - 33 - 1395/4.7=9, 8032/1.8=8...(5) QG2 VAL 120 + HB3 PRO 30 OK 24 83 - 28 - 5296/5.0=5, 8067/2.3=4...(10) QG2 VAL 50 + HB3 LYS 119 OK 23 100 - 23 - 8032/1.8=6, 8027/4.0=3...(8) QG2 THR 62 + HB3 LYS 119 OK 19 73 - 26 - 8032/1.8=7, 8027/4.0=5...(7) HB3 LEU 54 - HB3 PRO 30 poor 10 61 - 16 - 3192/3.0=2, ~3185=2...(6) QG2 VAL 50 - HB3 PRO 30 lone 7 88 - 7 - HB3 LEU 54 - HB3 LYS 119 lone 5 76 - 7 - 3.1/6989=1 QG2 THR 62 - HB3 PRO 30 lone 4 59 - 6 - Peak 8036 from cnoeabs.peaks (1.03, 1.60, 28.93 ppm; 4.46 A): 6 out of 20 assignments used, quality = 0.96: QG1 VAL 120 + HD2 LYS 119 OK 55 100 - 55 - 8031/3.7=12, 8061/5.3=9...(12) QG1 VAL 120 + HD3 LYS 119 OK 55 100 - 55 - 8031/3.7=12, 8061/5.3=9...(12) QD2 LEU 101 + HD3 LYS 119 OK 33 100 - 33 - 8031/3.7=5, 8039/3.0=4...(8) QD2 LEU 101 + HD2 LYS 119 OK 33 100 - 33 - 8031/3.7=5, 8039/3.0=4...(7) QD2 LEU 101 + HD2 LYS 32 OK 32 95 - 34 - 7714/2.9=4, 4683/1.8=3...(17) QD2 LEU 101 + HD3 LYS 32 OK 32 95 - 34 - 7714/2.9=4, 4683/1.8=3...(17) QG2 THR 33 - HD2 LYS 32 OK 23 74 - 32 - 4.0/134=6, 6618/3.5=5...(10) QG2 THR 33 - HD3 LYS 32 OK 23 74 - 32 - 4.0/134=6, 6618/3.5=5...(10) HB3 LEU 21 - HD3 LYS 119 OK 14 87 - 16 - 8031/3.7=3, 8034/3.7=2...(7) HB3 LEU 21 - HD2 LYS 119 OK 14 87 - 16 - 8031/3.7=3, 8034/3.7=2...(7) QG1 VAL 120 - HD3 LYS 32 lone 9 94 - 9 - 8048/2.9=2 QG1 VAL 120 - HD2 LYS 32 lone 9 94 - 9 - 8048/2.9=2 HB3 LEU 27 - HD3 LYS 119 lone 5 71 - 7 - 8031/3.7=2 HB3 LEU 27 - HD2 LYS 119 lone 5 71 - 7 - 8031/3.7=2 QG2 THR 33 - HD3 LYS 119 lone 4 83 - 5 - QG2 THR 33 - HD2 LYS 119 lone 4 83 - 5 - HB3 LEU 27 - HD3 LYS 32 lone 3 62 - 5 - HB3 LEU 27 - HD2 LYS 32 lone 3 62 - 5 - HB3 LEU 21 - HD2 LYS 32 lone 3 78 - 3 - HB3 LEU 21 - HD3 LYS 32 lone 3 78 - 3 - Peak 8037 from cnoeabs.peaks (0.82, 1.60, 28.93 ppm; 4.26 A): 4 out of 40 assignments used, quality = 0.91: QG1 VAL 115 + HD3 LYS 119 OK 61 99 - 61 - 7966=13, 7968/3.0=12...(11) QG1 VAL 115 + HD2 LYS 119 OK 61 99 - 61 - 7966=13, 7968/3.0=12...(11) QD1 LEU 59 + HD3 LYS 119 OK 26 85 - 30 - 8030/3.7=3, 3420/3.0=2...(13) QD1 LEU 59 + HD2 LYS 119 OK 26 85 - 30 - 8030/3.7=3, 3420/3.0=2...(13) HB2 ASN 118 - HD2 LYS 119 OK 19 100 - 19 - 5912/6.0=8, 8030/3.7=2...(6) HB2 ASN 118 - HD3 LYS 119 OK 19 100 - 19 - 5912/6.0=8, 8030/3.7=2...(6) QD2 LEU 91 - HD3 LYS 119 OK 17 99 - 18 - 8030/3.7=3, 605/6.0=2...(6) QD2 LEU 91 - HD2 LYS 119 OK 17 99 - 18 - 8030/3.7=3, 605/6.0=2...(6) QD1 LEU 93 - HD2 LYS 119 OK 17 99 - 17 - 8030/3.7=3, 8377/7993=2...(6) QD1 LEU 93 - HD3 LYS 119 OK 17 99 - 17 - 8030/3.7=3, 8377/7993=2...(6) HG13 ILE 22 - HD3 LYS 119 OK 16 92 - 18 - 8030/3.7=3, ~6436=2...(9) HG13 ILE 22 - HD2 LYS 119 OK 16 92 - 18 - 8030/3.7=3, ~6436=2...(9) QD1 ILE 22 - HD3 LYS 119 OK 15 78 - 19 - 8030/3.7=2, 8172/3.0=2...(9) QD1 ILE 22 - HD2 LYS 119 OK 15 78 - 19 - 8030/3.7=2, 8172/3.0=2...(9) QD2 LEU 55 - HD3 LYS 119 poor 9 71 - 13 - 8030/3.7=2, 5632/6.0=1 QD2 LEU 55 - HD2 LYS 119 poor 9 71 - 13 - 8030/3.7=2, 5632/6.0=1 QD1 ILE 22 - HD2 LYS 32 poor 8 69 - 12 - 6443/2.9=2, 6437/5.0=2...(4) QD1 ILE 22 - HD3 LYS 32 poor 8 69 - 12 - 6443/2.9=2, 6437/5.0=2...(4) QD1 LEU 111 - HD3 LYS 119 poor 8 68 - 12 - 8166/3.0=2, 7910/3.7=2...(4) QD1 LEU 111 - HD2 LYS 119 poor 8 68 - 12 - 8166/3.0=2, 7910/3.7=2...(4) QD1 LEU 93 - HD3 LYS 32 lone 8 93 - 8 - 8377/2.9=2, 8525/5.0=1 QD1 LEU 93 - HD2 LYS 32 lone 8 93 - 8 - 8377/2.9=2, 8525/5.0=1 QG1 VAL 115 - HD3 LYS 32 lone 7 92 - 7 - 7966=1 QG1 VAL 115 - HD2 LYS 32 lone 7 92 - 7 - 7966=1 QD2 LEU 91 - HD2 LYS 32 lone 6 92 - 7 - 8368/2.9=2 QD2 LEU 91 - HD3 LYS 32 lone 6 92 - 7 - 8368/2.9=2 QD1 LEU 111 - HD2 LYS 32 lone 6 60 - 9 - 5021/2.9=1 QD1 LEU 111 - HD3 LYS 32 lone 6 60 - 9 - 5021/2.9=1 HG13 ILE 22 - HD3 LYS 32 lone 5 83 - 6 - ~6443=2 HG13 ILE 22 - HD2 LYS 32 lone 5 83 - 6 - ~6443=2 QD1 LEU 59 - HD2 LYS 32 lone 5 76 - 6 - QD1 LEU 59 - HD3 LYS 32 lone 5 76 - 6 - QD2 LEU 114 - HD3 LYS 119 lone 5 60 - 8 - QD2 LEU 114 - HD2 LYS 119 lone 5 60 - 8 - QD2 LEU 55 - HD2 LYS 32 lone 2 62 - 4 - QD2 LEU 55 - HD3 LYS 32 lone 2 62 - 4 - HB2 ASN 118 - HD3 LYS 32 lone 2 94 - 2 - HB2 ASN 118 - HD2 LYS 32 lone 2 94 - 2 - QD2 LEU 114 - HD2 LYS 32 lone 1 52 - 2 - QD2 LEU 114 - HD3 LYS 32 lone 1 52 - 2 - Peak 8039 from cnoeabs.peaks (1.03, 2.86, 41.91 ppm; 4.33 A): 6 out of 12 assignments used, quality = 0.85: QG1 VAL 120 + HE3 LYS 119 OK 40 100 - 40 - 8031/4.9=9, 8061/6.3=6...(9) QG1 VAL 120 + HE2 LYS 119 OK 40 100 - 40 - 8031/4.9=9, 8061/6.3=6...(9) QD2 LEU 101 + HE3 LYS 119 OK 21 100 - 21 - 8031/4.9=4, 8036/3.0=3...(5) QD2 LEU 101 + HE2 LYS 119 OK 21 100 - 21 - 8031/4.9=4, 8036/3.0=3...(5) QD1 LEU 58 + HE3 LYS 119 OK 19 71 - 27 - 8031/4.9=4, 2.1/5273=2...(13) QD1 LEU 58 + HE2 LYS 119 OK 19 71 - 27 - 8031/4.9=4, 2.1/5263=2...(13) HB3 LEU 21 - HE3 LYS 119 lone 7 76 - 9 - 8031/4.9=2, 8034/4.9=2...(4) HB3 LEU 21 - HE2 LYS 119 lone 7 76 - 9 - 8031/4.9=2, 8034/4.9=2...(4) HB3 LEU 27 - HE3 LYS 119 lone 5 83 - 6 - 8031/4.9=2 HB3 LEU 27 - HE2 LYS 119 lone 5 83 - 6 - 8031/4.9=2 QG2 THR 33 - HE3 LYS 119 lone 2 71 - 3 - QG2 THR 33 - HE2 LYS 119 lone 2 71 - 3 - Peak 8040 from cnoeabs.peaks (0.82, 2.86, 41.91 ppm; 3.29 A): 2 out of 20 assignments used, quality = 0.60: QG1 VAL 115 + HE2 LYS 119 OK 37 99 - 38 - 7968=10, 7968/1.8=9...(9) QG1 VAL 115 + HE3 LYS 119 OK 37 99 - 38 - 7968=10, 7968/1.8=9...(9) QD1 LEU 59 - HE2 LYS 119 poor 9 85 - 11 - 8030/4.9=1, 3420/3.9=1 QD1 LEU 59 - HE3 LYS 119 poor 9 85 - 11 - 8030/4.9=1, 3420/3.9=1 QD2 LEU 91 - HE2 LYS 119 lone 8 99 - 8 - 8030/4.9=1 QD2 LEU 91 - HE3 LYS 119 lone 8 99 - 8 - 8030/4.9=1 QD1 LEU 93 - HE3 LYS 119 lone 8 99 - 8 - 8377/8170=1, 8030/4.9=1 QD1 LEU 93 - HE2 LYS 119 lone 8 99 - 8 - 8377/8170=1, 8030/4.9=1 HB2 ASN 118 - HE3 LYS 119 lone 8 100 - 8 - 5912/7.3=3, 8030/4.9=1 HB2 ASN 118 - HE2 LYS 119 lone 8 100 - 8 - 5912/7.3=3, 8030/4.9=1 HG13 ILE 22 - HE2 LYS 119 lone 6 92 - 7 - 8030/4.9=1 HG13 ILE 22 - HE3 LYS 119 lone 6 92 - 7 - 8030/4.9=1 QD1 ILE 22 - HE2 LYS 119 lone 5 78 - 7 - QD1 ILE 22 - HE3 LYS 119 lone 5 78 - 7 - QD1 LEU 111 - HE2 LYS 119 lone 3 68 - 5 - QD1 LEU 111 - HE3 LYS 119 lone 3 68 - 5 - QD2 LEU 55 - HE2 LYS 119 lone 3 71 - 4 - QD2 LEU 55 - HE3 LYS 119 lone 3 71 - 4 - QD2 LEU 114 - HE3 LYS 119 lone 2 60 - 3 - QD2 LEU 114 - HE2 LYS 119 lone 2 60 - 3 - Peak 8041 from cnoeabs.peaks (7.59, 1.12, 21.17 ppm; 4.30 A): 4 out of 6 assignments used, quality = 0.92: H LYS 119 + QG2 VAL 120 OK 79 100 - 79 - 8027=22, 1792/3.9=16...(19) H ARG 57 + QG2 VAL 120 OK 38 100 - 38 - 609/4.0=8, 8069/2.1=7...(10) H GLU 56 + QG2 VAL 120 OK 24 68 - 35 - 3.6/7009=9, 8069/2.1=6...(10) H SER 113 + QG2 VAL 120 OK 16 89 - 18 - 1799/3.9=4, 609/4.0=2...(6) H CYS 52 - QG2 VAL 120 poor 9 73 - 12 - 4.6/6960=2, 4.6/223=1 HD21 ASN 12 - QG2 VAL 120 lone 6 81 - 8 - 8069/2.1=2, 609/4.0=2 Peak 8042 from cnoeabs.peaks (8.17, 1.12, 21.17 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.65: H ASP 123 + QG2 VAL 120 OK 65 99 - 66 - 6276/3.2=31, 1802/3.9=27...(7) Peak 8043 from cnoeabs.peaks (1.29, 4.08, 64.53 ppm; 5.07 A): 5 out of 8 assignments used, quality = 0.91: QG2 THR 116 + HA VAL 120 OK 57 71 - 80 - 7986/3.2=21, 7987/3.2=20...(16) HG3 LYS 119 + HA VAL 120 OK 48 65 - 73 - ~5915=10, ~8032=10...(19) QG2 ILE 80 + HA VAL 120 OK 33 65 - 51 - 8048/3.2=8, 8440/3.0=7...(14) QD1 ILE 80 + HA VAL 120 OK 33 68 - 49 - 8048/3.2=7, 8440/3.0=7...(13) HB3 LEU 84 + HA VAL 120 OK 14 89 - 15 - 614/3.0=2, 1.8/8045=2...(8) HG LEU 54 - HA VAL 120 lone 6 96 - 6 - 8440/3.0=2 QG2 THR 23 - HA VAL 120 lone 5 73 - 7 - 4.3/860=1, 3.2/6458=1 HG CYS 87 - HA VAL 120 lone 4 83 - 5 - Peak 8044 from cnoeabs.peaks (1.39, 4.08, 64.53 ppm; 4.90 A): 6 out of 10 assignments used, quality = 1.00: QG2 THR 121 + HA VAL 120 OK 74 89 - 83 - 5308/3.6=25, 8091/3.0=25...(15) HB3 LEU 93 + HA VAL 120 OK 73 97 - 76 - ~8378=10, 8047/3.2=9...(26) QB ALA 122 + HA VAL 120 OK 65 85 - 76 - 3.6/6276=30, 2.9/6275=28...(11) HB2 LEU 111 + HA VAL 120 OK 48 100 - 48 - 4997/3.6=10, 3.8/5923=9...(14) HG LEU 59 + HA VAL 120 OK 47 99 - 48 - 3410/3.0=8, 5.1/7071=5...(19) HB2 LEU 27 + HA VAL 120 OK 46 100 - 46 - 1.8/5283=5, ~8067=4...(18) HG2 LYS 31 - HA VAL 120 OK 44 76 - 58 - 2.9/2416=8, 2426=8...(20) HB VAL 110 - HA VAL 120 OK 26 100 - 26 - 4.4/5923=8, 5877/3.6=8...(6) HB2 LEU 51 - HA VAL 120 lone 5 68 - 7 - ~6931=1 QB ALA 98 - HA VAL 120 lone 3 60 - 5 - 8094/3.0=1 Peak 8045 from cnoeabs.peaks (1.91, 4.08, 64.53 ppm; 4.84 A): 5 out of 18 assignments used, quality = 0.94: HB2 LYS 119 + HA VAL 120 OK 49 65 - 76 - 5915/3.0=12, 8032/3.2=11...(18) HB ILE 80 + HA VAL 120 OK 48 97 - 49 - ~8048=7, ~7401=7...(13) HG LEU 58 + HA VAL 120 OK 46 83 - 56 - 5648/3.0=8, 3.0/7057=6...(20) HB3 LYS 31 + HA VAL 120 OK 38 65 - 59 - 2.9/2426=9, 1.8/2406=7...(24) HB2 LEU 21 + HA VAL 120 OK 28 93 - 30 - 1.8/5283=4, 8046/3.2=4...(13) HG LEU 55 - HA VAL 120 OK 20 63 - 31 - 4.8/6275=4, 8297/3.2=3...(15) HB2 LEU 84 - HA VAL 120 OK 16 98 - 16 - 1.8/8043=3, ~614=2...(8) HB2 ARG 81 - HA VAL 120 OK 15 100 - 15 - ~1795=3, ~8060=3...(5) HB ILE 22 - HA VAL 120 OK 14 100 - 14 - 8058/3.2=2, 8046/3.2=2...(7) HB2 LYS 109 - HA VAL 120 OK 14 71 - 20 - ~8056=6, 8046/3.2=2...(8) HB VAL 50 - HA VAL 120 OK 12 65 - 18 - 2.1/5284=3, ~1395=2...(9) HG LEU 84 - HA VAL 120 OK 11 73 - 15 - 3.0/8043=2, ~614=2...(7) HB3 MET 11 - HA VAL 120 lone 9 100 - 9 - 8597/3.0=2 HB2 GLU 28 - HA VAL 120 lone 4 99 - 4 - HB3 GLU 73 - HA VAL 120 lone 3 100 - 3 - HB3 GLU 64 - HA VAL 120 lone 3 76 - 4 - HB2 GLU 64 - HA VAL 120 lone 3 71 - 4 - HB2 GLU 38 - HA VAL 120 lone 1 60 - 2 - Peak 8046 from cnoeabs.peaks (1.93, 1.03, 21.06 ppm; 3.89 A): 7 out of 19 assignments used, quality = 0.94: HB3 LYS 119 + QG1 VAL 120 OK 64 90 - 70 - 3.0/8061=13, 1.8/8031=13...(19) HB ILE 80 + QG1 VAL 120 OK 42 100 - 42 - 2.1/8048=11, 3.2/8048=8...(10) HG LEU 58 + QG1 VAL 120 OK 32 100 - 32 - 5648/4.0=5, 8058/2.1=3...(14) HB2 LEU 21 + QG1 VAL 120 OK 30 100 - 30 - 2108=4, 3.1/2136=3...(14) HB2 LYS 109 + QG1 VAL 120 OK 18 97 - 18 - ~8056=5, 2.9/8179=2...(7) HB3 PRO 30 + QG1 VAL 120 OK 16 83 - 20 - 5.0/5291=3, 8034=2...(8) HB ILE 22 + QG1 VAL 120 OK 14 87 - 17 - 3.9/68=2, 8058/2.1=2...(6) HB2 LEU 84 - QG1 VAL 120 poor 10 73 - 13 - 3.1/8049=2, 8058/2.1=1 HB2 ARG 81 - QG1 VAL 120 poor 9 85 - 11 - ~8060=2, ~6259=2, 8058/2.1=2 HB3 MET 11 - QG1 VAL 120 lone 6 97 - 6 - HB3 GLU 64 - QG1 VAL 120 lone 3 99 - 3 - HB2 GLU 64 - QG1 VAL 120 lone 3 97 - 3 - HB3 GLU 73 - QG1 VAL 120 lone 3 90 - 3 - HB2 GLU 28 - QG1 VAL 120 lone 3 76 - 4 - HB2 GLU 38 - QG1 VAL 120 lone 2 93 - 3 - HB3 GLU 69 - QG1 VAL 120 lone 2 90 - 3 - HB2 ARG 85 - QG1 VAL 120 lone 2 83 - 2 - HB3 ARG 85 - QG1 VAL 120 lone 2 83 - 2 - HB3 GLU 94 - QG1 VAL 120 lone 1 68 - 2 - Peak 8047 from cnoeabs.peaks (1.38, 1.03, 21.06 ppm; 3.48 A): 4 out of 8 assignments used, quality = 0.94: QG2 THR 121 + QG1 VAL 120 OK 68 99 - 68 - 8087/2.1=20, 8091/2.1=18...(12) HB3 LEU 93 + QG1 VAL 120 OK 62 100 - 62 - 8055/2.1=8, 3.1/8049=7...(22) HB2 LEU 111 + QG1 VAL 120 OK 36 99 - 37 - 3.8/5925=5, 4997/3.9=5...(13) HB2 LEU 27 + QG1 VAL 120 OK 29 95 - 31 - 8055/2.1=3, ~8067=3...(14) HG2 LYS 31 - QG1 VAL 120 OK 28 95 - 29 - 2426/3.2=5, 8055/2.1=4...(12) HG LEU 59 - QG1 VAL 120 OK 20 87 - 23 - ~7079=3, 3410/4.0=3...(9) QB ALA 122 - QG1 VAL 120 OK 18 60 - 30 - 2.9/8096=7, ~6275=6...(7) HB VAL 110 - QG1 VAL 120 OK 15 97 - 16 - 4.4/5925=4, 5877/3.9=4...(5) Peak 8048 from cnoeabs.peaks (1.27, 1.03, 21.06 ppm; 3.07 A): 3 out of 6 assignments used, quality = 0.86: QG2 THR 116 + QG1 VAL 120 OK 65 100 - 65 - 7987=25, 7986/2.1=19...(12) QG2 ILE 80 + QG1 VAL 120 OK 38 99 - 39 - 7401=9, 8054/2.1=7...(12) QD1 ILE 80 + QG1 VAL 120 OK 37 99 - 37 - 7418=9, 8054/2.1=6...(11) QG2 THR 19 - QG1 VAL 120 lone 7 89 - 8 - 8054/2.1=2, 3.2/8061=1 HG3 LYS 32 - QG1 VAL 120 lone 6 93 - 6 - 8054/2.1=1 HG LEU 54 - QG1 VAL 120 lone 4 99 - 4 - Peak 8049 from cnoeabs.peaks (0.75, 1.03, 21.06 ppm; 3.49 A): 4 out of 7 assignments used, quality = 0.94: QD1 LEU 91 + QG1 VAL 120 OK 68 97 - 70 - 2.1/8370=15, 8373=14...(16) QD2 LEU 93 + QG1 VAL 120 OK 59 100 - 59 - 7605/2.1=10, ~8378=9...(19) HG LEU 111 + QG1 VAL 120 OK 36 100 - 36 - 8053/2.1=6, 3.0/8047=4...(14) QD2 LEU 111 + QG1 VAL 120 OK 28 81 - 35 - 8053/2.1=5, 4.7/5925=4...(13) QD1 LEU 84 - QG1 VAL 120 OK 12 99 - 12 - 8053/2.1=2, 7402/8048=1 QG2 ILE 63 - QG1 VAL 120 OK 11 99 - 11 - ~7149=2, 8053/2.1=2, 8608/2.1=1 QG2 VAL 66 - QG1 VAL 120 lone 3 85 - 4 - Peak 8050 from cnoeabs.peaks (0.82, 1.03, 21.06 ppm; 3.23 A): 4 out of 10 assignments used, quality = 0.91: QD2 LEU 91 + QG1 VAL 120 OK 69 99 - 69 - 8370=20, 8369/2.1=16...(17) QD1 LEU 93 + QG1 VAL 120 OK 56 99 - 57 - 8378/2.1=15, 2.1/8049=8...(18) QD1 LEU 111 + QG1 VAL 120 OK 20 68 - 30 - 2.1/8049=5, 2.1/8049=4...(11) HB2 ASN 118 + QG1 VAL 120 OK 19 100 - 19 - 4.6/8069=5, 8052/2.1=3...(6) QD1 LEU 59 - QG1 VAL 120 OK 16 85 - 19 - ~7079=2, 8052/2.1=2...(6) QG1 VAL 115 - QG1 VAL 120 OK 15 99 - 16 - 8052/2.1=2, 8062/4.0=2...(5) HG13 ILE 22 - QG1 VAL 120 OK 12 92 - 13 - 8052/2.1=2, 2.9/8046=1 QD2 LEU 55 - QG1 VAL 120 OK 12 71 - 17 - 4.8/8069=2, 4.0/8292=2...(6) QD1 ILE 22 - QG1 VAL 120 poor 9 78 - 11 - 8052/2.1=1, 2.1/8477=1 QD2 LEU 114 - QG1 VAL 120 poor 9 60 - 15 - 7960/2.1=4, 7955/4.0=2...(4) Peak 8051 from cnoeabs.peaks (0.83, 2.30, 31.75 ppm; 4.39 A): 2 out of 18 assignments used, quality = 0.95: QD2 LEU 91 + HB VAL 120 OK 80 96 - 84 - 8369/2.1=24, 8370/2.1=20...(21) QD1 LEU 93 + HB VAL 120 OK 74 100 - 74 - 8378/2.1=22, 8050/2.1=11...(21) QD1 LEU 59 - HB VAL 120 OK 27 93 - 29 - ~7079=5, 3417/3.8=4...(11) HB2 ASN 118 - HB VAL 120 OK 23 99 - 23 - ~8022=5, 8052/2.1=4...(6) QD2 LEU 55 - HB VAL 120 OK 22 83 - 26 - ~8297=4, 8062/3.8=3...(12) QG1 VAL 115 - HB VAL 120 OK 20 100 - 20 - 8062/3.8=3, 8050/2.1=3...(7) QD1 LEU 59 - HB3 PRO 60 OK 20 52 - 39 - ~8645=11, ~7091=8...(8) HG13 ILE 22 - HB VAL 120 OK 18 97 - 18 - 8052/2.1=2, 8050/2.1=2...(8) QD2 LEU 114 - HB VAL 120 OK 18 73 - 25 - 7960/2.1=8, 7955/3.8=4...(8) HB2 ASN 118 - HB3 PRO 60 OK 14 59 - 23 - 5179/3.0=6, ~5185=4...(9) QD1 ILE 22 - HB VAL 120 poor 9 65 - 14 - 8050/2.1=2, ~8477=2...(7) QD2 LEU 55 - HB3 PRO 60 poor 9 44 - 21 - 4.8/1036=5, 4.6/245=2...(5) QD1 LEU 93 - HB3 PRO 60 lone 6 61 - 10 - 8525/2.3=1 QD2 LEU 114 - HB3 PRO 60 lone 3 38 - 9 - QD2 LEU 91 - HB3 PRO 60 lone 2 55 - 4 - QG1 VAL 115 - HB3 PRO 60 lone 2 61 - 3 - HG13 ILE 22 - HB3 PRO 60 lone 2 56 - 3 - QD1 ILE 22 - HB3 PRO 60 lone 1 33 - 2 - Peak 8052 from cnoeabs.peaks (0.82, 1.12, 21.17 ppm; 3.06 A): 4 out of 10 assignments used, quality = 0.91: QD2 LEU 91 + QG2 VAL 120 OK 66 99 - 67 - 8369=20, 8370/2.1=13...(18) QD1 LEU 93 + QG2 VAL 120 OK 59 99 - 60 - 8378=21, 2.1/8053=8...(16) HB2 ASN 118 + QG2 VAL 120 OK 21 100 - 21 - 4.6/8041=5, 4.0/602=3...(7) QD1 LEU 111 + QG2 VAL 120 OK 18 68 - 27 - 2.1/8053=5, 2.1/8053=4...(9) QD1 LEU 59 - QG2 VAL 120 OK 17 85 - 20 - 4.6/7087=3, 3.2/7079=3...(7) QG1 VAL 115 - QG2 VAL 120 OK 14 99 - 15 - 8050/2.1=2, 8062/4.0=1...(4) QD2 LEU 55 - QG2 VAL 120 OK 13 71 - 18 - 4.0/7009=4, 2.1/8297=2...(6) HG13 ILE 22 - QG2 VAL 120 OK 12 92 - 13 - 8050/2.1=1, 2.9/8058=1 QD2 LEU 114 - QG2 VAL 120 OK 11 60 - 18 - 7960=5, 4.0/7941=2...(5) QD1 ILE 22 - QG2 VAL 120 poor 8 78 - 10 - 8050/2.1=1, 3.2/8058=1 Peak 8053 from cnoeabs.peaks (0.75, 1.12, 21.17 ppm; 3.07 A): 7 out of 8 assignments used, quality = 0.95: QD1 LEU 91 + QG2 VAL 120 OK 62 100 - 63 - 2.1/8369=15, 8372=13...(18) QD2 LEU 93 + QG2 VAL 120 OK 54 99 - 55 - 2.1/8378=14, 7605=9...(17) HG LEU 111 + QG2 VAL 120 OK 34 100 - 34 - 7605=5, 8049/2.1=4...(14) QD2 LEU 111 + QG2 VAL 120 OK 30 90 - 33 - 7605=4, 2.1/7605=4...(14) QD1 LEU 114 + QG2 VAL 120 OK 12 71 - 17 - 2.1/7960=6, 4.0/7941=2...(4) QD1 LEU 84 + QG2 VAL 120 OK 12 100 - 12 - 8049/2.1=1 QG2 ILE 63 + QG2 VAL 120 OK 11 96 - 11 - 3.2/7149=3, 4.0/291=2 QG2 VAL 66 - QG2 VAL 120 lone 3 73 - 4 - Peak 8054 from cnoeabs.peaks (1.27, 1.12, 21.17 ppm; 2.96 A): 3 out of 6 assignments used, quality = 0.80: QG2 THR 116 + QG2 VAL 120 OK 64 100 - 64 - 7986=28, 7987/2.1=16...(13) QG2 ILE 80 + QG2 VAL 120 OK 28 100 - 28 - 8048/2.1=7, 2.1/8058=3...(8) QD1 ILE 80 + QG2 VAL 120 OK 25 100 - 25 - 8048/2.1=7, 3.2/8058=2...(8) QG2 THR 19 - QG2 VAL 120 lone 7 96 - 7 - 8048/2.1=1, 3.2/8059=1 HG3 LYS 32 - QG2 VAL 120 lone 4 98 - 4 - 8048/2.1=1 HG LEU 54 - QG2 VAL 120 lone 4 95 - 4 - Peak 8055 from cnoeabs.peaks (1.38, 1.12, 21.17 ppm; 3.14 A): 8 out of 8 assignments used, quality = 0.95: QG2 THR 121 + QG2 VAL 120 OK 66 100 - 66 - 8087=25, 8091/2.1=14...(14) HB3 LEU 93 + QG2 VAL 120 OK 50 99 - 51 - 3.1/8378=11, 1.8/8178=6...(19) HB2 LEU 111 + QG2 VAL 120 OK 27 92 - 29 - 3.8/5926=4, 3.0/8053=4...(9) HG2 LYS 31 + QG2 VAL 120 OK 25 100 - 25 - 2426/3.2=4, 1.8/8178=3...(10) HB2 LEU 27 + QG2 VAL 120 OK 21 78 - 27 - 1.8/5298=4, 3.1/6526=4...(9) HG LEU 59 + QG2 VAL 120 OK 13 65 - 19 - 3.0/7079=3, 5.1/7087=3...(7) HB VAL 110 + QG2 VAL 120 OK 11 85 - 12 - 4.4/5926=4, 5877/3.9=3 HB3 LEU 59 + QG2 VAL 120 OK 11 65 - 16 - 3.7/7087=4, 7079=3...(4) Peak 8056 from cnoeabs.peaks (1.55, 1.12, 21.17 ppm; 4.28 A): 0 out of 5 assignments used, low quality = 0.35: HG12 ILE 124 - QG2 VAL 120 OK 20 100 - 20 - ~8121=10, 8088/8087=4...(4) HG3 LYS 109 - QG2 VAL 120 OK 19 100 - 19 - 1.8/8178=3, 3.0/8057=2...(8) HD3 LYS 46 - QG2 VAL 120 lone 6 83 - 7 - 1.8/8178=2, ~6279=1, 3.5/8057=1 HB2 LYS 65 - QG2 VAL 120 lone 5 100 - 5 - HB3 LYS 65 - QG2 VAL 120 lone 5 100 - 5 - Peak 8057 from cnoeabs.peaks (1.76, 1.12, 21.17 ppm; 4.04 A): 3 out of 15 assignments used, quality = 0.95: HB2 LEU 117 + QG2 VAL 120 OK 66 89 - 75 - 3.0/8060=19, 5143=11...(19) HG LEU 117 + QG2 VAL 120 OK 63 99 - 63 - 3.6/8060=16, 5157=9...(14) HB2 LEU 91 + QG2 VAL 120 OK 60 78 - 77 - 3.1/8369=18, 3.1/8372=13...(19) HD2 LYS 109 - QG2 VAL 120 OK 20 99 - 20 - 3.0/8056=10, 8068/2.1=2...(5) HD3 LYS 109 - QG2 VAL 120 OK 19 98 - 20 - 3.0/8056=10, 8068/2.1=2...(5) HG3 PRO 30 - QG2 VAL 120 OK 17 99 - 17 - 2.3/8035=2, 3.8/8067=2...(7) HB3 LYS 46 - QG2 VAL 120 lone 10 100 - 10 - 3.5/8056=3, 3.5/8178=1 HB2 ARG 53 - QG2 VAL 120 lone 8 92 - 8 - 4.0/6960=2, 3.6/6970=2 HB2 LEU 45 - QG2 VAL 120 lone 6 100 - 6 - HB VAL 66 - QG2 VAL 120 lone 6 98 - 6 - HG2 GLN 42 - QG2 VAL 120 lone 4 100 - 4 - HG3 ARG 71 - QG2 VAL 120 lone 3 100 - 3 - HG2 ARG 71 - QG2 VAL 120 lone 3 95 - 3 - HB2 GLU 75 - QG2 VAL 120 lone 3 85 - 4 - HB3 ARG 71 - QG2 VAL 120 lone 2 63 - 3 - Peak 8058 from cnoeabs.peaks (1.91, 1.12, 21.17 ppm; 3.82 A): 11 out of 18 assignments used, quality = 0.94: HB ILE 80 + QG2 VAL 120 OK 42 97 - 43 - 2.1/8054=9, 3.2/8054=7...(13) HB2 LYS 119 + QG2 VAL 120 OK 41 65 - 63 - 4.7/1395=12, 8032=10...(15) HG LEU 58 + QG2 VAL 120 OK 25 83 - 31 - 5648/4.0=4, 8046/2.1=3...(12) HB2 LEU 21 + QG2 VAL 120 OK 24 93 - 26 - 3.1/6412=4, 1.8/5298=4...(11) HB3 LYS 31 + QG2 VAL 120 OK 22 65 - 34 - 3.0/5296=5, 2.9/8055=4...(14) HB ILE 22 + QG2 VAL 120 OK 17 100 - 17 - 2.9/8052=2, 6432/7986=2...(5) HG LEU 55 + QG2 VAL 120 OK 15 63 - 23 - 4.3/7009=6, 8297=3...(8) HB2 LYS 109 + QG2 VAL 120 OK 14 71 - 20 - 2.9/8056=9, 2.9/8178=2...(5) HB2 ARG 81 + QG2 VAL 120 OK 14 100 - 14 - 3.0/8060=4, ~6259=2 HB2 LEU 84 + QG2 VAL 120 OK 13 98 - 14 - 3.1/8053=2, 8046/2.1=1 HB VAL 50 + QG2 VAL 120 OK 11 65 - 17 - 3056=2, 2.1/3061=2...(9) HG LEU 84 - QG2 VAL 120 poor 9 73 - 13 - 2.1/8053=2, ~8049=1 HB2 GLU 28 - QG2 VAL 120 lone 6 99 - 6 - 3.8/6543=3 HB3 MET 11 - QG2 VAL 120 lone 6 100 - 6 - HB3 GLU 73 - QG2 VAL 120 lone 4 100 - 4 - HB3 GLU 64 - QG2 VAL 120 lone 2 76 - 3 - HB2 GLU 64 - QG2 VAL 120 lone 2 71 - 3 - HB2 GLU 38 - QG2 VAL 120 lone 1 60 - 2 - Peak 8059 from cnoeabs.peaks (3.84, 1.12, 21.17 ppm; 4.16 A): 2 out of 13 assignments used, quality = 0.94: HA LYS 119 + QG2 VAL 120 OK 77 100 - 77 - 3.6/1395=19, 8061/2.1=17...(18) HA THR 116 + QG2 VAL 120 OK 73 99 - 74 - 3.2/7986=24, 8061/2.1=15...(17) HA THR 19 - QG2 VAL 120 OK 17 100 - 17 - 8061/2.1=3, 610/4.0=2...(5) HB2 SER 35 - QG2 VAL 120 OK 12 85 - 14 - ~6656=5, 8061/2.1=3...(4) HA LEU 77 - QG2 VAL 120 OK 10 100 - 10 - 8061/2.1=2, 1796/4.0=1 HA GLU 15 - QG2 VAL 120 lone 8 96 - 8 - 8061/2.1=1 HA3 GLY 88 - QG2 VAL 120 lone 6 73 - 8 - 4.3/7564=3 HA THR 33 - QG2 VAL 120 lone 5 76 - 7 - 8061/2.1=1 HB THR 33 - QG2 VAL 120 lone 5 73 - 6 - 8061/2.1=1 HA2 GLY 88 - QG2 VAL 120 lone 5 63 - 7 - 4.3/7564=3 HB3 SER 29 - QG2 VAL 120 lone 4 71 - 5 - HB2 SER 29 - QG2 VAL 120 lone 3 68 - 5 - HA3 GLY 104 - QG2 VAL 120 lone 3 87 - 3 - Peak 8060 from cnoeabs.peaks (4.00, 1.12, 21.17 ppm; 3.21 A): 3 out of 5 assignments used, quality = 0.78: HA LEU 117 + QG2 VAL 120 OK 62 97 - 64 - 5136=13, 6258/2.1=12...(19) HA THR 62 + QG2 VAL 120 OK 32 100 - 32 - 3489=9, 6259/2.1=4...(10) HA ARG 81 + QG2 VAL 120 OK 15 100 - 15 - 1795/4.0=2, 6259/2.1=2...(5) HA PHE 107 - QG2 VAL 120 poor 10 98 - 10 - 6196/3.9=3, 1795/4.0=1 HA ALA 14 - QG2 VAL 120 lone 3 73 - 5 - Peak 8061 from cnoeabs.peaks (3.84, 1.03, 21.06 ppm; 3.21 A): 2 out of 12 assignments used, quality = 0.77: HA LYS 119 + QG1 VAL 120 OK 55 97 - 56 - 3.6/1394=12, 3.0/8069=8...(18) HA THR 116 + QG1 VAL 120 OK 48 95 - 51 - 3.2/7987=14, 3.6/5290=7...(13) HA THR 19 - QG1 VAL 120 lone 9 100 - 9 - 8059/2.1=2, 610/4.0=1 HB2 SER 35 - QG1 VAL 120 lone 8 93 - 9 - 3.0/6656=4, 8059/2.1=1 HA LEU 77 - QG1 VAL 120 lone 6 100 - 6 - HA GLU 15 - QG1 VAL 120 lone 4 99 - 4 - HA THR 33 - QG1 VAL 120 lone 4 87 - 5 - HB THR 33 - QG1 VAL 120 lone 4 85 - 4 - HA3 GLY 88 - QG1 VAL 120 lone 2 60 - 3 - HB3 SER 29 - QG1 VAL 120 lone 2 57 - 3 - HA3 GLY 104 - QG1 VAL 120 lone 1 95 - 2 - HB2 SER 13 - QG1 VAL 120 lone 1 63 - 1 - Peak 8063 from cnoeabs.peaks (1.39, 2.30, 31.75 ppm; 4.44 A): 3 out of 16 assignments used, quality = 0.97: QG2 THR 121 + HB VAL 120 OK 77 97 - 79 - 8091=29, 8087/2.1=25...(15) HB3 LEU 93 + HB VAL 120 OK 76 100 - 76 - ~8378=11, 8047/2.1=10...(25) HB2 LEU 111 + HB VAL 120 OK 46 100 - 46 - 3.8/5924=7, 4997/4.4=7...(14) HB2 LEU 27 - HB VAL 120 OK 39 97 - 40 - 8047/2.1=5, 1.8/5288=5...(13) HG2 LYS 31 - HB VAL 120 OK 36 90 - 40 - 2426/3.0=7, 8055/2.1=5...(15) QB ALA 122 - HB VAL 120 OK 31 68 - 46 - ~6275=12, ~1803=12...(7) HG LEU 59 - HB VAL 120 OK 29 92 - 32 - ~7079=5, 3410/3.8=5...(12) HB VAL 110 - HB VAL 120 OK 21 99 - 22 - 4.4/5924=6, 5877/4.4=5...(6) HG LEU 59 - HB3 PRO 60 OK 21 51 - 41 - ~8645=11, ~7091=8...(9) QG2 THR 121 - HB3 PRO 60 OK 15 56 - 26 - 8092/3.0=9, ~6264=5...(5) HB3 LEU 93 - HB3 PRO 60 lone 5 60 - 9 - 7088/3.0=1 HB VAL 110 - HB3 PRO 60 lone 5 59 - 8 - ~7232=2 HB2 LEU 111 - HB3 PRO 60 lone 4 61 - 6 - HG2 LYS 31 - HB3 PRO 60 lone 3 50 - 6 - 7088/3.0=2, 7090/3.0=1 HB2 LEU 27 - HB3 PRO 60 lone 3 56 - 5 - QB ALA 122 - HB3 PRO 60 lone 2 35 - 6 - ~1806=4 Peak 8064 from cnoeabs.peaks (4.39, 1.12, 21.17 ppm; 4.19 A): 3 out of 6 assignments used, quality = 0.95: HB THR 116 + QG2 VAL 120 OK 66 87 - 76 - 2.1/7986=29, ~7987=17...(13) HA LEU 93 + QG2 VAL 120 OK 64 99 - 65 - 3.8/8378=15, 8066/2.1=9...(18) HA THR 121 + QG2 VAL 120 OK 61 78 - 78 - 3.0/5926=23, 3.2/8087=19...(15) HA GLN 105 - QG2 VAL 120 OK 26 97 - 27 - 5850/4.0=4, 8066/2.1=4...(11) HA SER 35 - QG2 VAL 120 OK 15 95 - 16 - 6656/2.1=9, 3.0/8059=2...(4) HA MET 11 - QG2 VAL 120 lone 5 76 - 7 - 3.6/5295=1 Peak 8065 from cnoeabs.peaks (4.40, 4.08, 64.53 ppm; 4.96 A): 3 out of 6 assignments used, quality = 0.96: HA THR 121 + HA VAL 120 OK 85 96 - 89 - 3.6/6275=25, ~1523=16...(20) HB THR 116 + HA VAL 120 OK 54 63 - 86 - ~7986=19, ~7987=18...(19) HA LEU 93 + HA VAL 120 OK 49 89 - 55 - 8066/3.2=10, 8064/3.2=10...(15) HA GLN 105 - HA VAL 120 OK 31 83 - 38 - 5850/3.0=5, 4.1/5282=4...(16) HA SER 35 - HA VAL 120 OK 11 76 - 15 - 6656/3.2=8, 8064/3.2=2...(4) HA LYS 32 - HA VAL 120 poor 8 71 - 11 - 2.9/119=3, 1397/3.6=3 Peak 8066 from cnoeabs.peaks (4.39, 1.03, 21.06 ppm; 4.07 A): 3 out of 6 assignments used, quality = 0.93: HA THR 121 + QG1 VAL 120 OK 66 89 - 75 - ~5926=13, ~8091=12...(16) HB THR 116 + QG1 VAL 120 OK 56 76 - 74 - 2.1/7987=27, ~7986=17...(12) HA LEU 93 + QG1 VAL 120 OK 56 96 - 58 - 8064/2.1=9, 3.8/8049=8...(17) HA GLN 105 - QG1 VAL 120 OK 23 92 - 25 - 8064/2.1=4, 5850/4.0=4...(11) HA SER 35 - QG1 VAL 120 OK 15 87 - 17 - 6656=9, 8064/2.1=2...(4) HA MET 11 - QG1 VAL 120 lone 4 63 - 6 - 3.6/5290=1 Peak 8067 from cnoeabs.peaks (4.52, 1.12, 21.17 ppm; 4.68 A): 4 out of 7 assignments used, quality = 0.80: HA LEU 91 + QG2 VAL 120 OK 59 95 - 62 - 3.9/8369=19, 3.9/8372=14...(8) HA LEU 27 + QG2 VAL 120 OK 32 89 - 36 - 4.0/6526=6, 3.6/6543=5...(15) HA LEU 101 + QG2 VAL 120 OK 17 65 - 25 - 4650/2.1=4, 4.0/5298=4...(8) HA PRO 30 + QG2 VAL 120 OK 14 89 - 15 - 2.3/8035=3, ~8034=2...(6) HA GLU 82 - QG2 VAL 120 lone 5 68 - 8 - 4.9/8060=4 HB THR 23 - QG2 VAL 120 lone 4 100 - 4 - HA ASN 79 - QG2 VAL 120 lone 2 63 - 3 - Peak 8068 from cnoeabs.peaks (1.77, 1.03, 21.06 ppm; 4.49 A): 3 out of 16 assignments used, quality = 0.92: HB2 LEU 117 + QG1 VAL 120 OK 75 99 - 75 - ~8060=13, ~6258=12...(18) HG LEU 117 + QG1 VAL 120 OK 61 100 - 61 - 3.6/8534=10, 2.1/5294=10...(15) HD3 LYS 109 + QG1 VAL 120 OK 19 100 - 19 - ~8056=7, 8057/2.1=3...(6) HD2 LYS 109 - QG1 VAL 120 OK 19 100 - 19 - ~8056=7, 8057/2.1=3...(6) HG3 PRO 30 - QG1 VAL 120 OK 16 100 - 16 - 8247=3, 2.3/8034=3...(5) HB3 GLU 56 - QG1 VAL 120 OK 15 68 - 22 - 3.7/8069=6, 4.6/8069=5...(7) HB2 LYS 32 - QG1 VAL 120 lone 8 83 - 10 - 3.0/8048=2 HB3 LYS 46 - QG1 VAL 120 lone 8 92 - 8 - ~8056=2, 8057/2.1=1 HB2 LEU 45 - QG1 VAL 120 lone 6 95 - 6 - HB VAL 66 - QG1 VAL 120 lone 4 85 - 5 - HG2 GLN 42 - QG1 VAL 120 lone 4 99 - 4 - HG3 ARG 71 - QG1 VAL 120 lone 4 97 - 4 - HB2 GLU 75 - QG1 VAL 120 lone 3 98 - 3 - HB2 PRO 37 - QG1 VAL 120 lone 3 83 - 4 - HB2 ARG 53 - QG1 VAL 120 lone 3 71 - 4 - 8057/2.1=1 HG2 ARG 71 - QG1 VAL 120 lone 3 76 - 4 - Peak 8069 from cnoeabs.peaks (7.61, 1.03, 21.06 ppm; 4.53 A): 3 out of 4 assignments used, quality = 0.87: H LYS 119 + QG1 VAL 120 OK 72 95 - 76 - 4.6/1394=17, 1792/3.9=17...(20) H ARG 57 + QG1 VAL 120 OK 34 90 - 38 - 609/4.0=8, 8041/2.1=7...(12) H GLU 56 + QG1 VAL 120 OK 30 96 - 32 - 8041/2.1=5, 609/4.0=4...(10) HD21 ASN 12 - QG1 VAL 120 lone 8 99 - 8 - 609/4.0=2, 8041/2.1=1 Peak 8071 from cnoeabs.peaks (8.66, 1.38, 22.16 ppm; 4.18 A): 3 out of 5 assignments used, quality = 0.92: H VAL 120 + QG2 THR 121 OK 70 99 - 71 - 1797/4.2=19, 1523/4.0=18...(13) H LEU 117 + QG2 THR 121 OK 53 100 - 53 - 3.0/8093=12, 619/4.0=8...(12) H LEU 59 + QG2 THR 121 OK 45 97 - 46 - 4.8/8092=6, 4.9/8086=5...(14) H ASN 106 - QG2 THR 121 lone 6 76 - 7 - 619/4.0=1, 4.8/8091=1 H ASN 12 - QG2 THR 121 lone 5 95 - 5 - Peak 8072 from cnoeabs.peaks (7.33, 1.38, 22.16 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.48: HZ2 TRP 20 + QG2 THR 121 OK 48 100 - 48 - 4650=21, 2.5/8073=17...(9) Peak 8073 from cnoeabs.peaks (6.80, 1.38, 22.16 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.68: HH2 TRP 20 + QG2 THR 121 OK 49 99 - 50 - 2.5/8072=38, 4661/8087=4...(7) H VAL 110 + QG2 THR 121 OK 36 96 - 38 - 4.7/5308=10, 1513/4.0=5...(12) QE TYR 67 - QG2 THR 121 lone 9 95 - 10 - 2087/8072=2, 560/5308=1 Peak 8076 from cnoeabs.peaks (1.23, 4.41, 62.70 ppm; 4.52 A): 3 out of 12 assignments used, quality = 0.93: HG13 ILE 124 + HA THR 121 OK 81 93 - 86 - 8117=25, 2.1/8118=23...(13) HB3 LEU 111 + HA THR 121 OK 47 96 - 49 - ~4997=7, 5004/3.0=7...(14) HG2 LYS 32 + HA THR 121 OK 32 97 - 33 - 2516=7, 1.8/2526=5...(10) HG13 ILE 124 - HA SER 113 OK 18 38 - 48 - 8117=9, 1.8/8126=9...(15) HB3 LEU 111 - HA SER 113 OK 13 40 - 32 - ~6218=5, 7323/3.0=5...(14) HG2 LYS 32 - HA SER 113 poor 9 42 - 22 - 2516=5, 1.8/2526=4...(9) HG LEU 77 - HA THR 121 lone 6 99 - 6 - ~7352=1 QG2 VAL 18 - HA THR 121 lone 6 83 - 7 - HB3 LEU 24 - HA THR 121 lone 4 99 - 4 - HG LEU 77 - HA SER 113 lone 3 43 - 6 - 7323/3.0=2 QG2 VAL 18 - HA SER 113 lone 3 32 - 9 - 8392/3.0=1, 7323/3.0=1, ~7931=1 HB3 LEU 24 - HA SER 113 lone 1 44 - 3 - 7323/3.0=1 Peak 8077 from cnoeabs.peaks (1.55, 4.41, 62.70 ppm; 4.39 A): 5 out of 16 assignments used, quality = 0.92: HG12 ILE 124 + HA THR 121 OK 85 100 - 85 - 2.1/8118=23, 1.8/8117=21...(14) HG12 ILE 124 + HA SER 113 OK 21 45 - 46 - 8126=10, 1.8/8117=8...(15) HB2 LYS 65 + HA THR 121 OK 12 98 - 12 - 8088/3.2=2, 1413/8180=2...(7) HB3 LYS 65 + HA THR 121 OK 12 98 - 12 - 8088/3.2=2, 1413/8180=2...(7) HG3 LYS 109 + HA THR 121 OK 11 100 - 11 - 8088/3.2=4, ~8090=1, 8100/1807=1 HB3 LYS 65 - HA SER 113 poor 9 42 - 21 - ~7936=3, ~7931=3...(10) HB2 LYS 65 - HA SER 113 poor 9 42 - 21 - ~7936=3, ~7931=3...(10) HG2 ARG 81 - HA THR 121 lone 4 65 - 6 - 8088/3.2=2, ~8088=1 HG3 ARG 81 - HA THR 121 lone 4 65 - 6 - 8088/3.2=2, ~8088=1 HG2 ARG 57 - HA SER 113 poor 4 24 - 16 - ~3323=2, 8126=2, ~3339=2...(9) HD3 LYS 46 - HA THR 121 lone 3 71 - 4 - HG2 ARG 57 - HA THR 121 lone 2 65 - 3 - HG3 LYS 109 - HA SER 113 lone 2 45 - 4 - 4921/4.9=2 HD3 LYS 46 - HA SER 113 lone 1 26 - 4 - HG2 ARG 81 - HA SER 113 lone 1 24 - 2 - HG3 ARG 81 - HA SER 113 lone 1 24 - 2 - Peak 8078 from cnoeabs.peaks (1.01, 4.41, 62.70 ppm; 4.26 A): 4 out of 14 assignments used, quality = 0.95: QG1 VAL 120 + HA THR 121 OK 67 85 - 78 - ~5926=14, ~8091=13...(15) HB3 LEU 27 + HA THR 121 OK 63 100 - 63 - 8086/3.2=11, 8082/3.0=9...(23) QD1 LEU 58 + HA THR 121 OK 41 97 - 42 - 8086/3.2=9, 8749/3.0=8...(11) QD2 LEU 58 + HA THR 121 OK 34 87 - 40 - 8748/3.0=8, 8086/3.2=6...(11) QD2 LEU 101 - HA THR 121 OK 12 83 - 15 - 622/3.0=3, 8086/3.2=2...(7) QD1 LEU 101 - HA THR 121 poor 8 68 - 12 - ~622=2, 8082/3.0=2...(6) QG1 VAL 18 - HA THR 121 lone 3 65 - 5 - QG1 VAL 120 - HA SER 113 lone 3 33 - 8 - ~8041=2, 3.9/1397=1 QD2 LEU 101 - HA SER 113 lone 2 32 - 8 - ~7931=2, ~7936=2, 7717/3.0=2 QD1 LEU 58 - HA SER 113 lone 2 42 - 6 - 7060/4.9=1 QD2 LEU 58 - HA SER 113 lone 2 34 - 5 - QG1 VAL 18 - HA SER 113 lone 1 24 - 6 - QD1 LEU 101 - HA SER 113 lone 1 25 - 5 - ~7717=1 HB3 LEU 27 - HA SER 113 lone 1 44 - 2 - Peak 8079 from cnoeabs.peaks (0.90, 4.41, 62.70 ppm; 3.68 A): 6 out of 26 assignments used, quality = 0.93: QD1 ILE 124 + HA THR 121 OK 68 90 - 76 - 8118=20, 8119/3.0=15...(13) QD2 LEU 27 + HA THR 121 OK 41 83 - 50 - 8084/3.2=8, 3.1/8078=6...(22) QD1 LEU 27 + HA THR 121 OK 37 76 - 50 - 8084/3.2=7, 3.1/8078=6...(21) QD1 LEU 117 + HA THR 121 OK 27 99 - 28 - 8084/3.2=6, ~8087=4...(8) QD1 ILE 124 + HA SER 113 OK 11 36 - 32 - 2.1/8126=5, 2.1/8117=5...(14) QG2 VAL 115 + HA SER 113 OK 10 31 - 33 - 7974/4.9=5, 4.3/1775=5...(11) QD2 LEU 59 - HA THR 121 poor 9 81 - 12 - ~8081=1, 2.1/5303=1, 8083/3.0=1 QG2 ILE 22 - HA THR 121 poor 8 81 - 10 - 3.0/6437=2, 8084/3.2=2 QD2 LEU 41 - HA THR 121 lone 7 93 - 7 - QD1 LEU 117 - HA SER 113 poor 6 44 - 13 - 4.6/1781=3, ~8015=2...(6) QD1 LEU 126 - HA THR 121 lone 4 100 - 4 - QG2 VAL 115 - HA THR 121 lone 4 81 - 5 - 8075/3.0=1 HB2 GLN 42 - HA THR 121 lone 3 93 - 4 - QG2 ILE 22 - HA SER 113 poor 3 31 - 10 - 3.0/6437=3, 6433=2 QD1 LEU 41 - HA THR 121 lone 3 60 - 5 - QG2 VAL 49 - HA THR 121 lone 2 89 - 3 - QG1 VAL 49 - HA THR 121 lone 2 81 - 3 - QD2 LEU 41 - HA SER 113 lone 1 38 - 3 - HB2 GLN 42 - HA SER 113 lone 1 38 - 3 - 7919/4.9=1 QD2 LEU 59 - HA SER 113 lone 1 31 - 3 - QD1 LEU 41 - HA SER 113 lone 1 21 - 5 - 8412/3.6=1 QD2 LEU 27 - HA SER 113 lone 1 32 - 3 - QD1 LEU 27 - HA SER 113 lone 1 28 - 3 - QG2 VAL 49 - HA SER 113 lone 1 35 - 2 - QD1 LEU 126 - HA SER 113 lone 1 44 - 1 - QG1 VAL 49 - HA SER 113 lone 0 31 - 1 - Peak 8081 from cnoeabs.peaks (1.60, 4.56, 69.65 ppm; 4.01 A): 5 out of 17 assignments used, quality = 0.53: HD2 LYS 32 + HB THR 121 OK 16 99 - 16 - 5.0/5305=2, ~2516=2...(10) HD3 LYS 32 + HB THR 121 OK 16 99 - 16 - 5.0/5305=2, ~2516=2...(10) HB2 LEU 59 + HB THR 121 OK 15 81 - 18 - 4.8/6264=4, 1.8/5307=2...(7) HD2 LYS 31 + HB THR 121 OK 12 87 - 14 - ~8090=2, 3.0/5307=2...(7) HD3 LYS 31 + HB THR 121 OK 12 87 - 14 - ~8090=2, 3.0/5307=2...(7) HG LEU 101 - HB THR 121 lone 8 90 - 9 - 2.1/8082=2, ~8086=2...(4) HG2 PRO 30 - HB THR 121 lone 4 97 - 4 - ~8089=1 HG LEU 126 - HB THR 121 lone 3 99 - 3 - HG3 ARG 81 - HB THR 121 lone 3 76 - 4 - ~8088=2 HG2 ARG 81 - HB THR 121 lone 3 76 - 4 - ~8088=2 HB3 LEU 126 - HB THR 121 lone 3 100 - 3 - HB2 LEU 126 - HB THR 121 lone 3 100 - 3 - HG12 ILE 63 - HB THR 121 lone 3 100 - 3 - HD3 LYS 119 - HB THR 121 lone 2 99 - 2 - HD2 LYS 119 - HB THR 121 lone 2 99 - 2 - HG2 ARG 53 - HB THR 121 lone 1 99 - 1 - HG2 ARG 57 - HB THR 121 lone 1 76 - 1 - Peak 8082 from cnoeabs.peaks (1.00, 4.56, 69.65 ppm; 3.69 A): 5 out of 9 assignments used, quality = 0.90: HB3 LEU 27 + HB THR 121 OK 52 100 - 52 - 8086/2.1=9, 1.8/5307=7...(20) QD2 LEU 58 + HB THR 121 OK 40 99 - 41 - 8748=11, 2.1/8749=7...(11) QD1 LEU 58 + HB THR 121 OK 40 100 - 40 - 2.1/8748=8, 8086/2.1=7...(12) QG1 VAL 120 + HB THR 121 OK 35 60 - 58 - 3.9/1398=14, ~8091=13...(11) QD1 LEU 101 + HB THR 121 OK 10 90 - 12 - 2.1/8081=2, 8445/2.1=2...(4) QG1 VAL 18 - HB THR 121 lone 4 89 - 5 - 8748=1 HG2 LYS 65 - HB THR 121 lone 2 81 - 2 - HG3 LYS 65 - HB THR 121 lone 2 81 - 2 - QG2 THR 95 - HB THR 121 lone 2 65 - 3 - Peak 8083 from cnoeabs.peaks (0.91, 4.56, 69.65 ppm; 3.82 A): 6 out of 14 assignments used, quality = 0.94: QD1 ILE 124 + HB THR 121 OK 58 81 - 72 - 8119=24, ~8088=13...(15) QD2 LEU 27 + HB THR 121 OK 50 92 - 54 - 8084/2.1=12, 3.1/8082=8...(18) QD1 LEU 27 + HB THR 121 OK 47 87 - 54 - 8084/2.1=11, 3.1/8082=8...(18) QD1 LEU 117 + HB THR 121 OK 31 100 - 31 - 8084/2.1=9, ~8087=7...(7) QG2 ILE 22 + HB THR 121 OK 10 90 - 12 - 8084/2.1=3, ~8090=1...(4) QD2 LEU 59 + HB THR 121 OK 10 68 - 15 - 3.2/8081=4, 2.1/5307=2...(5) QD1 LEU 126 - HB THR 121 lone 6 100 - 6 - 2.1/8081=1 QD1 LEU 55 - HB THR 121 lone 4 65 - 7 - 8084/2.1=2, 8075/4.0=1, ~8090=1 HB2 GLN 42 - HB THR 121 lone 4 98 - 4 - 8084/2.1=1 QD1 LEU 41 - HB THR 121 lone 4 73 - 6 - 8084/2.1=1 QD2 LEU 41 - HB THR 121 lone 4 85 - 5 - QG2 VAL 115 - HB THR 121 lone 4 90 - 4 - 8084/2.1=1, 8075/4.0=1 QG2 VAL 49 - HB THR 121 lone 3 96 - 4 - QG1 VAL 49 - HB THR 121 lone 2 68 - 3 - Peak 8084 from cnoeabs.peaks (0.92, 1.38, 22.16 ppm; 2.78 A): 3 out of 12 assignments used, quality = 0.66: QD2 LEU 27 + QG2 THR 121 OK 34 100 - 34 - 3.1/8086=5, 8083/2.1=3...(18) QD1 LEU 27 + QG2 THR 121 OK 32 99 - 33 - 3.1/8086=5, 8083/2.1=3...(17) QD1 LEU 117 + QG2 THR 121 OK 25 98 - 26 - 2.1/8087=7, 2.1/8089=4...(8) QG2 ILE 22 - QG2 THR 121 lone 7 99 - 7 - 2.1/8090=1 QD1 LEU 55 - QG2 THR 121 lone 5 89 - 6 - QG2 VAL 115 - QG2 THR 121 lone 3 99 - 3 - QD1 LEU 41 - QG2 THR 121 lone 3 93 - 4 - HB2 GLN 42 - QG2 THR 121 lone 3 100 - 3 - QD1 ILE 63 - QG2 THR 121 lone 3 76 - 4 - QG2 VAL 49 - QG2 THR 121 lone 2 100 - 2 - QD1 LEU 126 - QG2 THR 121 lone 2 97 - 2 - QD2 LEU 41 - QG2 THR 121 lone 2 60 - 3 - Peak 8085 from cnoeabs.peaks (0.74, 1.38, 22.16 ppm; 3.28 A): 4 out of 7 assignments used, quality = 0.61: QD2 LEU 111 + QG2 THR 121 OK 24 99 - 24 - 4.7/5308=4, 2.1/5020=4...(9) HG LEU 111 + QG2 THR 121 OK 23 96 - 24 - 2.1/5020=4, 5.3/5308=3...(10) QD2 LEU 93 + QG2 THR 121 OK 22 90 - 24 - 2.1/4508=4, 3.8/5309=2...(8) QD1 LEU 91 + QG2 THR 121 OK 13 100 - 14 - 8371=3, 8372/8087=2...(4) QD1 LEU 84 - QG2 THR 121 lone 6 98 - 6 - 2.1/8090=1 QD1 LEU 114 - QG2 THR 121 lone 4 92 - 5 - QG2 ILE 63 - QG2 THR 121 lone 3 78 - 4 - Peak 8086 from cnoeabs.peaks (1.02, 1.38, 22.16 ppm; 2.94 A): 4 out of 5 assignments used, quality = 0.84: QG1 VAL 120 + QG2 THR 121 OK 49 93 - 52 - 2.1/8087=15, 2.1/8091=12...(11) HB3 LEU 27 + QG2 THR 121 OK 41 97 - 42 - 3.1/8084=6, 3.1/8084=6...(18) QD1 LEU 58 + QG2 THR 121 OK 33 92 - 36 - 7062=5, 2.1/6367=4...(14) QD2 LEU 58 + QG2 THR 121 OK 23 76 - 30 - 2.1/7062=5, 6367=4...(12) QD2 LEU 101 - QG2 THR 121 lone 9 92 - 10 - 2.1/8445=1, 622/4.0=1 Peak 8087 from cnoeabs.peaks (1.11, 1.38, 22.16 ppm; 3.17 A): 3 out of 4 assignments used, quality = 0.76: QG2 VAL 120 + QG2 THR 121 OK 60 97 - 61 - 8055=14, 2.1/8091=14...(14) QD2 LEU 117 + QG2 THR 121 OK 33 78 - 42 - 2.1/8084=8, 2.1/8089=6...(12) QG2 THR 62 + QG2 THR 121 OK 12 100 - 12 - 3.2/8093=2, 7116=2, 623/4.0=2 QG2 VAL 50 - QG2 THR 121 poor 8 78 - 11 - 6924/2.1=2, 623/4.0=1 Peak 8088 from cnoeabs.peaks (1.56, 1.38, 22.16 ppm; 3.90 A): 2 out of 7 assignments used, quality = 0.71: HG12 ILE 124 + QG2 THR 121 OK 67 97 - 69 - 2.1/8120=16, ~8119=14...(15) HG3 LYS 109 + QG2 THR 121 OK 12 93 - 13 - 2.9/8090=2, 8056/8087=2...(5) HG3 ARG 81 - QG2 THR 121 lone 6 89 - 7 - 4.0/8093=3, 2.9/8090=1 HG2 ARG 81 - QG2 THR 121 lone 6 89 - 7 - 4.0/8093=3, 2.9/8090=1 HB2 LYS 65 - QG2 THR 121 lone 6 85 - 7 - 8077/3.2=1, ~8077=1, 5373/8120=1 HB3 LYS 65 - QG2 THR 121 lone 6 85 - 7 - 8077/3.2=1, ~8077=1, 5373/8120=1 HG2 ARG 57 - QG2 THR 121 lone 2 89 - 2 - Peak 8089 from cnoeabs.peaks (1.78, 1.38, 22.16 ppm; 3.91 A): 4 out of 15 assignments used, quality = 0.76: HB2 LEU 117 + QG2 THR 121 OK 41 100 - 42 - 3.0/8093=11, 3.1/8087=10...(11) HG LEU 117 + QG2 THR 121 OK 40 93 - 43 - 2.1/8087=13, 2.1/8084=10...(9) HB2 LYS 32 + QG2 THR 121 OK 22 97 - 22 - 3.0/5309=4, 2496/3.2=4...(9) HB2 PRO 60 + QG2 THR 121 OK 10 65 - 16 - 3.0/8092=7, 3.0/7088=4...(4) HD3 LYS 109 - QG2 THR 121 poor 10 97 - 10 - 3.0/8088=3, 3.9/8090=2 HD2 LYS 109 - QG2 THR 121 poor 10 93 - 10 - 3.0/8088=3, 3.9/8090=2 HG3 PRO 30 - QG2 THR 121 lone 7 95 - 7 - HG2 GLN 42 - QG2 THR 121 lone 5 89 - 6 - HB3 GLU 56 - QG2 THR 121 lone 4 90 - 4 - 3.7/5929=2 HB2 LEU 45 - QG2 THR 121 lone 3 76 - 5 - HB2 GLU 75 - QG2 THR 121 lone 3 100 - 3 - HB2 PRO 37 - QG2 THR 121 lone 3 97 - 3 - HB3 LYS 46 - QG2 THR 121 lone 3 71 - 4 - HB VAL 66 - QG2 THR 121 lone 2 60 - 3 - HG3 ARG 71 - QG2 THR 121 lone 2 83 - 2 - Peak 8090 from cnoeabs.peaks (1.89, 1.38, 22.16 ppm; 4.15 A): 7 out of 16 assignments used, quality = 0.79: HB2 LEU 58 + QG2 THR 121 OK 39 92 - 43 - 3.1/8086=8, 3.1/8086=6...(10) HB3 LYS 31 + QG2 THR 121 OK 27 100 - 27 - 2419=5, 3.0/2399=4...(10) HB2 LYS 119 + QG2 THR 121 OK 19 100 - 19 - 4.7/8071=8, 8032/8087=3 HB3 LYS 109 + QG2 THR 121 OK 16 81 - 19 - 4.6/8073=7, 2.9/8088=4...(4) HB ILE 22 + QG2 THR 121 OK 12 78 - 16 - 2.1/8084=3, 3.0/6431=2...(6) HG LEU 55 + QG2 THR 121 OK 12 100 - 12 - 2.1/8084=2, 4.3/7011=1...(4) HB VAL 50 + QG2 THR 121 OK 10 100 - 10 - 2.1/8087=3, ~6924=3, ~6926=1 HG LEU 84 - QG2 THR 121 lone 9 100 - 9 - 2.1/8085=3 HB2 ARG 81 - QG2 THR 121 poor 9 81 - 11 - 3.0/8093=4, 2.9/8088=2 HB2 LEU 84 - QG2 THR 121 lone 7 90 - 7 - 3.1/8085=2 HB2 GLU 28 - QG2 THR 121 lone 6 89 - 6 - 3.8/100=2 HB2 ARG 92 - QG2 THR 121 lone 5 97 - 5 - 4.2/1233=3 HB3 GLU 28 - QG2 THR 121 lone 4 89 - 4 - 3.8/100=2 HG3 PRO 68 - QG2 THR 121 lone 2 89 - 3 - HB3 GLU 73 - QG2 THR 121 lone 1 73 - 2 - HB3 MET 11 - QG2 THR 121 lone 1 60 - 2 - Peak 8091 from cnoeabs.peaks (2.28, 1.38, 22.16 ppm; 4.17 A): 1 out of 7 assignments used, quality = 0.59: HB VAL 120 + QG2 THR 121 OK 59 85 - 69 - 2.1/8087=24, 4.4/5308=18...(12) HB2 CYS 87 - QG2 THR 121 lone 6 97 - 6 - HG2 GLN 105 - QG2 THR 121 lone 6 100 - 6 - 621/4.0=2 HG3 GLN 105 - QG2 THR 121 lone 6 100 - 6 - 621/4.0=2 HG3 GLU 94 - QG2 THR 121 lone 4 97 - 4 - 4.9/461=2 HG2 GLN 16 - QG2 THR 121 lone 2 68 - 2 - HG3 GLU 15 - QG2 THR 121 lone 1 63 - 2 - Peak 8092 from cnoeabs.peaks (3.54, 1.38, 22.16 ppm; 4.87 A): 4 out of 6 assignments used, quality = 0.87: HA ASN 118 + QG2 THR 121 OK 64 98 - 65 - 6262/4.0=18, 6263/2.1=17...(15) HD2 PRO 60 + QG2 THR 121 OK 48 97 - 49 - 7090=13, 6264/2.1=9...(12) HB2 ASP 47 + QG2 THR 121 OK 19 100 - 18 - 6264/2.1=5, 1800/4.0=3...(6) HA LEU 51 + QG2 THR 121 OK 12 83 - 14 - 1806/4.2=3, 6264/2.1=3...(5) HB2 PHE 96 - QG2 THR 121 lone 3 68 - 5 - HB2 PHE 83 - QG2 THR 121 lone 1 71 - 2 - Peak 8093 from cnoeabs.peaks (4.01, 1.38, 22.16 ppm; 4.44 A): 4 out of 6 assignments used, quality = 0.73: HA LEU 117 + QG2 THR 121 OK 50 83 - 60 - 3.8/8087=10, 3.0/8071=10...(12) HA PHE 107 + QG2 THR 121 OK 23 100 - 23 - 6196/4.0=5, 6194=5...(7) HA THR 62 + QG2 THR 121 OK 17 95 - 18 - 3.2/8087=4, 1801/4.0=4...(4) HA ARG 81 + QG2 THR 121 OK 16 92 - 17 - 1801/4.0=3, 4.0/8088=2...(5) HA ALA 14 - QG2 THR 121 lone 8 93 - 9 - 6298/8085=1 HA GLN 16 - QG2 THR 121 lone 2 71 - 2 - Peak 8094 from cnoeabs.peaks (8.64, 1.41, 18.59 ppm; 5.06 A): 3 out of 15 assignments used, quality = 0.79: H VAL 120 + QB ALA 122 OK 67 99 - 68 - 1797/2.9=33, ~6275=16...(9) H LEU 59 + QB ALA 122 OK 20 78 - 26 - 1804/2.9=9, 272/2.1=3...(9) H LEU 117 + QB ALA 122 OK 19 90 - 21 - 1804/2.9=9, 1780/2.1=3...(4) H VAL 120 - QB ALA 89 poor 8 61 - 13 - 1794/3.6=4, 4.0/7564=2 H LEU 117 - QB ALA 89 poor 7 51 - 14 - 1520/3.6=3, 1781/4.9=2 H VAL 120 - QB ALA 98 poor 6 56 - 10 - 3.6/6272=2 H LEU 59 - QB ALA 89 poor 5 42 - 11 - 271/3.6=3, 272/2.1=2 H ASN 106 - QB ALA 122 lone 4 97 - 4 - 1804/2.9=1, 1304/4.9=1 H LEU 117 - QB ALA 98 lone 4 47 - 8 - H ASN 12 - QB ALA 122 lone 2 71 - 3 - 1804/2.9=1 H LEU 59 - QB ALA 98 lone 2 39 - 6 - H ASN 12 - QB ALA 98 lone 2 34 - 6 - 4.6/7692=2, 4.0/8360=1 H ASN 106 - QB ALA 98 lone 1 53 - 2 - H ASN 106 - QB ALA 89 lone 1 57 - 1 - H ASN 12 - QB ALA 89 lone 1 37 - 2 - Peak 8095 from cnoeabs.peaks (7.75, 4.27, 53.98 ppm; 4.47 A): 0 out of 10 assignments used, low quality = 0.41: H ILE 124 - HA ALA 122 OK 31 65 - 48 - 4.6/5930=27, 8111=14...(5) H ASN 118 - HA ALA 122 OK 14 89 - 16 - ~1806=7, 1786=4, ~8023=1...(6) H LEU 91 - HA ALA 89 poor 9 32 - 29 - 1494/2.9=12, 1218/2.1=11...(5) H LEU 126 - HA ALA 122 lone 5 60 - 8 - 4.6/8458=6 H GLY 48 - HA ALA 122 lone 4 93 - 5 - 1526/3.6=1 H LEU 91 - HA ALA 122 lone 4 99 - 4 - H GLY 48 - HA ALA 89 lone 1 28 - 4 - H ILE 124 - HA ALA 89 lone 1 17 - 5 - H ASN 118 - HA ALA 89 lone 1 26 - 3 - H LEU 126 - HA ALA 89 lone 1 16 - 3 - Peak 8098 from cnoeabs.peaks (3.74, 1.41, 18.59 ppm; 4.79 A): 3 out of 27 assignments used, quality = 0.68: HA CYS 87 + QB ALA 89 OK 38 56 - 69 - 430/4.8=19, 6165/3.6=13...(13) HB3 SER 90 + QB ALA 89 OK 36 56 - 65 - 1214/3.6=20, 3.0/7571=14...(12) HA3 GLY 86 + QB ALA 89 OK 20 39 - 51 - 7512=11, 8661/2.9=10...(9) HA GLU 38 - QB ALA 89 lone 5 55 - 9 - 1719/3.6=2, 430/4.8=1 HA CYS 87 - QB ALA 122 lone 4 96 - 4 - ~8458=2 HA LEU 54 - QB ALA 89 lone 4 63 - 6 - 1719/3.6=1 HD2 PRO 30 - QB ALA 89 lone 4 44 - 9 - 1719/3.6=2, 1711/2.9=1 HA GLU 73 - QB ALA 89 lone 4 63 - 6 - HA LEU 54 - QB ALA 122 lone 3 100 - 3 - HA CYS 87 - QB ALA 98 lone 3 52 - 7 - ~1703=1, 3.0/7524=1, 3.6/7550=1 HB3 SER 35 - QB ALA 89 lone 3 55 - 6 - 5540/4.8=1, 1719/3.6=1 HB3 SER 90 - QB ALA 122 lone 3 96 - 3 - HA GLU 73 - QB ALA 98 lone 3 58 - 5 - 3.0/8536=2 HA3 GLY 86 - QB ALA 98 lone 3 36 - 8 - 7512=2, ~1697=1, 1.8/6161=1 HA GLU 38 - QB ALA 98 lone 3 51 - 5 - HB3 SER 90 - QB ALA 98 lone 3 52 - 5 - 4.4/1218=1 HB3 SER 13 - QB ALA 89 lone 2 47 - 5 - 5540/4.8=1 HD2 PRO 30 - QB ALA 122 lone 2 81 - 3 - HA3 GLY 86 - QB ALA 122 lone 2 73 - 3 - HA LEU 54 - QB ALA 98 lone 2 58 - 4 - HB3 SER 35 - QB ALA 122 lone 2 95 - 2 - HA GLU 73 - QB ALA 122 lone 2 100 - 2 - HA GLU 38 - QB ALA 122 lone 2 95 - 2 - HD2 PRO 30 - QB ALA 98 lone 1 40 - 4 - HB3 SER 13 - QB ALA 122 lone 1 85 - 1 - HB3 SER 35 - QB ALA 98 lone 1 51 - 2 - HB3 SER 13 - QB ALA 98 lone 1 43 - 2 - Peak 8101 from cnoeabs.peaks (1.40, 2.75, 40.70 ppm; 4.87 A): 3 out of 10 assignments used, quality = 0.69: QB ALA 122 + HB2 ASP 123 OK 49 93 - 52 - 3.6/5326=41, 8103/1.8=13...(4) HB2 LEU 27 + HB2 ASP 123 OK 32 100 - 32 - 8103/1.8=9, 3.1/8717=8...(6) QG2 THR 121 + HB2 ASP 123 OK 11 78 - 14 - 8108/4.2=5, 8103/1.8=4 HB2 LEU 111 - HB2 ASP 123 lone 9 98 - 9 - 8103/1.8=3, 8108/4.2=2...(4) HG LEU 59 - HB2 ASP 123 lone 7 100 - 7 - 8103/1.8=2, 630/4.0=1 HB3 LEU 93 - HB2 ASP 123 lone 7 90 - 8 - 8103/1.8=2, 8108/4.2=2 HB VAL 110 - HB2 ASP 123 lone 5 100 - 5 - 8103/1.8=1 HG2 LYS 31 - HB2 ASP 123 lone 4 63 - 7 - 4.0/6278=2, 2426/6277=2 QB ALA 98 - HB2 ASP 123 lone 3 73 - 5 - 630/4.0=1 HB2 LEU 51 - HB2 ASP 123 lone 3 81 - 3 - Peak 8103 from cnoeabs.peaks (1.39, 2.66, 40.70 ppm; 5.08 A): 3 out of 10 assignments used, quality = 0.70: QB ALA 122 + HB3 ASP 123 OK 46 85 - 55 - 3.6/5330=42, 8101/1.8=16...(4) HB2 LEU 27 + HB3 ASP 123 OK 33 100 - 34 - 8101/1.8=10, 3.1/8716=8...(6) QG2 THR 121 + HB3 ASP 123 OK 16 89 - 18 - 8108/4.2=7, 8101/1.8=4...(5) HB2 LEU 111 - HB3 ASP 123 lone 10 100 - 10 - 8101/1.8=3, 8108/4.2=2...(4) HB3 LEU 93 - HB3 ASP 123 lone 8 97 - 9 - 8108/4.2=3, 8101/1.8=2 HG LEU 59 - HB3 ASP 123 lone 7 99 - 7 - 8101/1.8=2, 8044/6279=1 HG2 LYS 31 - HB3 ASP 123 lone 6 76 - 8 - 2426/6279=2, 4.0/6280=2 HB VAL 110 - HB3 ASP 123 lone 5 100 - 5 - 8101/1.8=2 QB ALA 98 - HB3 ASP 123 lone 3 60 - 5 - 630/4.0=1, 8101/1.8=1 HB2 LEU 51 - HB3 ASP 123 lone 2 68 - 4 - Peak 8105 from cnoeabs.peaks (1.58, 2.66, 40.70 ppm; 5.28 A): 0 out of 11 assignments used, low quality = 0.25: HG12 ILE 124 - HB3 ASP 123 OK 25 68 - 37 - 4.9/636=25, 8100/4.0=14 HG3 LYS 109 - HB3 ASP 123 poor 8 60 - 13 - 8100/4.0=4, 7843/1.8=3...(4) HG LEU 126 - HB3 ASP 123 lone 7 89 - 7 - 2.1/8716=4, ~8717=2 HB2 LEU 126 - HB3 ASP 123 lone 5 73 - 6 - 3.1/8716=3, ~8717=2 HG12 ILE 63 - HB3 ASP 123 lone 5 73 - 6 - 2.1/8716=3, ~8717=2 HB3 LEU 126 - HB3 ASP 123 lone 5 71 - 6 - 3.1/8716=3, ~8717=2 HG2 ARG 57 - HB3 ASP 123 lone 3 100 - 3 - HG3 ARG 81 - HB3 ASP 123 lone 3 100 - 3 - HG2 ARG 81 - HB3 ASP 123 lone 3 100 - 3 - HD2 LYS 119 - HB3 ASP 123 lone 2 87 - 2 - HD3 LYS 119 - HB3 ASP 123 lone 1 85 - 2 - Peak 8106 from cnoeabs.peaks (7.67, 0.89, 13.31 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.83: H THR 121 + QD1 ILE 124 OK 68 83 - 82 - 3.0/8118=25, 4.0/8119=25...(11) H ALA 122 + QD1 ILE 124 OK 46 87 - 53 - 4.4/8119=23, 3.6/8118=23...(4) HD21 ASN 108 - QD1 ILE 124 lone 7 89 - 8 - 696/4.2=2, 4.3/5370=2 Peak 8112 from cnoeabs.peaks (1.42, 4.14, 62.07 ppm; 5.41 A): 6 out of 24 assignments used, quality = 0.92: QB ALA 122 + HA ILE 124 OK 39 99 - 39 - ~8111=13, ~8095=13...(6) HD2 LYS 65 + HA ILE 124 OK 39 73 - 53 - 3.8/5338=8, 3.8/5338=8...(22) HD3 LYS 65 + HA ILE 124 OK 39 73 - 53 - 3.8/5338=8, 3.8/5338=8...(22) HB3 LEU 101 + HA ILE 124 OK 38 83 - 46 - 3.1/7717=8, ~7728=7...(15) HG LEU 59 + HA ILE 124 OK 29 89 - 32 - 2.1/5340=4, ~8114=3...(12) QB ALA 98 + HA ILE 124 OK 22 100 - 22 - 8113/3.0=2, 8107/3.0=2...(9) HB2 LEU 111 - HA ILE 124 OK 17 60 - 29 - 1.8/6202=4, 3.1/7903=3...(12) QB ALA 98 - HA SER 78 OK 11 62 - 19 - 8662/3.6=5, 7659/8658=3...(5) HB2 LEU 111 - HA SER 78 OK 11 30 - 35 - ~6097=4, ~368=4, ~6095=4...(17) HB VAL 110 - HA ILE 124 OK 10 71 - 14 - 2.1/7881=3, 4.4/1750=2...(5) QB ALA 89 - HA ILE 124 lone 8 81 - 10 - HB VAL 110 - HA SER 78 poor 7 37 - 19 - 3.0/6213=4, ~6215=4...(6) HB3 LEU 91 - HA ILE 124 lone 7 97 - 7 - 8364/7717=1 HB2 LEU 51 - HA ILE 124 lone 7 100 - 7 - HD2 LYS 65 - HA SER 78 poor 6 39 - 15 - 5.5/7172=3, ~3631=1...(5) HD3 LYS 65 - HA SER 78 poor 6 39 - 15 - 5.5/7172=3, ~3631=1...(5) HB2 LEU 51 - HA SER 78 lone 5 62 - 8 - ~1657=1 HB2 LEU 27 - HA ILE 124 lone 5 78 - 6 - 8101/8122=2 QB ALA 89 - HA SER 78 lone 4 43 - 8 - 8662/3.6=1 QB ALA 122 - HA SER 78 lone 2 61 - 4 - HB3 LEU 101 - HA SER 78 lone 2 45 - 5 - HB3 LEU 91 - HA SER 78 lone 2 58 - 4 - HB2 LEU 27 - HA SER 78 lone 2 42 - 5 - 4.3/882=1 HG LEU 59 - HA SER 78 lone 2 49 - 3 - Peak 8113 from cnoeabs.peaks (1.43, 1.98, 38.44 ppm; 5.05 A): 5 out of 13 assignments used, quality = 0.94: HD2 LYS 65 + HB ILE 124 OK 55 93 - 59 - 3.8/5345=8, 3.8/5345=8...(34) HD3 LYS 65 + HB ILE 124 OK 55 93 - 59 - 3.8/5345=8, 3.8/5345=8...(34) HB3 LEU 101 + HB ILE 124 OK 39 97 - 40 - ~8121=10, 3.1/7704=5...(15) HB3 LEU 45 + HB ILE 124 OK 39 81 - 48 - 4.0/5341=10, 2891/4.0=7...(15) HD2 LYS 46 + HB ILE 124 OK 27 60 - 44 - 1.8/5345=4, 2.9/8114=3...(23) HG LEU 59 - HB ILE 124 OK 23 65 - 35 - 3.0/8114=5, 2.1/5347=4...(14) QB ALA 98 - HB ILE 124 OK 22 99 - 22 - 2.1/5342=2, 8112/3.0=2...(10) QB ALA 122 - HB ILE 124 OK 19 90 - 21 - 8107/4.0=8, ~8106=7, 8112/3.0=3 HG LEU 24 - HB ILE 124 OK 13 81 - 15 - ~7041=2, 3.0/5346=2...(4) QB ALA 89 - HB ILE 124 lone 6 97 - 6 - HB3 LEU 91 - HB ILE 124 lone 6 100 - 6 - HB2 LEU 51 - HB ILE 124 lone 5 98 - 5 - HB3 GLU 75 - HB ILE 124 lone 4 81 - 5 - Peak 8114 from cnoeabs.peaks (1.36, 1.98, 38.44 ppm; 4.94 A): 4 out of 9 assignments used, quality = 0.93: QG2 THR 121 + HB ILE 124 OK 75 89 - 85 - 8088/3.0=23, 3.2/8123=18...(15) HB3 LEU 93 + HB ILE 124 OK 40 76 - 53 - 8115/2.1=9, 8120/3.2=7...(15) HB3 LEU 59 + HB ILE 124 OK 35 96 - 37 - 3.2/5347=4, 8108/4.0=4...(17) HG3 LYS 46 + HB ILE 124 OK 23 60 - 38 - 2.9/5345=4, 2.9/8113=3...(21) HG2 LYS 46 - HB ILE 124 OK 23 60 - 38 - 2.9/5345=4, 2.9/8113=3...(21) HB2 LEU 111 - HB ILE 124 OK 22 57 - 39 - 8115/2.1=6, 3.0/8418=5...(14) QB ALA 43 - HB ILE 124 OK 16 73 - 22 - 6815/4.0=5, 3.6/6821=3...(7) HG2 LYS 31 - HB ILE 124 lone 6 97 - 6 - 8108/4.0=1 QG2 THR 17 - HB ILE 124 lone 3 60 - 6 - Peak 8115 from cnoeabs.peaks (1.38, 0.96, 17.23 ppm; 3.83 A): 5 out of 8 assignments used, quality = 0.89: QG2 THR 121 + QG2 ILE 124 OK 67 100 - 67 - 8088/3.2=17, 8120/3.2=12...(15) HB3 LEU 93 + QG2 ILE 124 OK 41 99 - 41 - 8120/3.2=6, 3.0/8125=5...(14) HB2 LEU 111 + QG2 ILE 124 OK 25 92 - 27 - 8120/3.2=4, 1.8/5353=3...(11) HB3 LEU 59 + QG2 ILE 124 OK 14 65 - 21 - 8120/3.2=3, 8114/2.1=3...(5) HG LEU 59 + QG2 ILE 124 OK 12 65 - 18 - 2.1/5354=3, 8120/3.2=2...(9) HB VAL 110 - QG2 ILE 124 lone 6 85 - 7 - ~7877=1 HG2 LYS 31 - QG2 ILE 124 lone 4 100 - 4 - HB2 LEU 27 - QG2 ILE 124 lone 3 78 - 4 - Peak 8117 from cnoeabs.peaks (4.41, 1.24, 27.37 ppm; 4.24 A): 3 out of 4 assignments used, quality = 0.91: HA THR 121 + HG13 ILE 124 OK 80 100 - 80 - 8118/2.1=19, 8077/1.8=17...(14) HA LYS 32 + HG13 ILE 124 OK 39 97 - 40 - 8123/3.0=7, 8126/1.8=6...(12) HA SER 113 + HG13 ILE 124 OK 29 68 - 43 - 8126/1.8=7, 3.0/5363=5...(17) HA SER 29 - HG13 ILE 124 lone 3 81 - 4 - Peak 8118 from cnoeabs.peaks (4.40, 0.89, 13.31 ppm; 3.96 A): 3 out of 6 assignments used, quality = 0.86: HA THR 121 + QD1 ILE 124 OK 75 96 - 79 - 3.0/8119=20, 8117/2.1=14...(14) HA LEU 93 + QD1 ILE 124 OK 27 89 - 31 - 3.0/8120=6, 8125/3.2=6...(10) HA LYS 32 + QD1 ILE 124 OK 24 71 - 34 - 8117/2.1=7, 8123/3.2=5...(13) HB THR 116 - QD1 ILE 124 lone 2 63 - 3 - HA GLN 105 - QD1 ILE 124 lone 2 83 - 2 - HA SER 35 - QD1 ILE 124 lone 1 76 - 2 - Peak 8119 from cnoeabs.peaks (4.56, 0.89, 13.31 ppm; 4.02 A): 1 out of 8 assignments used, quality = 0.74: HB THR 121 + QD1 ILE 124 OK 74 100 - 74 - 3.0/8118=17, 2.1/8120=17...(15) HA ASP 47 - QD1 ILE 124 poor 9 78 - 11 - 3.6/5369=6, ~204=1 HA ASN 79 - QD1 ILE 124 lone 7 97 - 7 - 3.5/1160=2, 3.0/7372=1 HA THR 95 - QD1 ILE 124 lone 6 98 - 6 - 4545/3.2=1 HA LEU 27 - QD1 ILE 124 lone 5 78 - 7 - 5302/8118=1, 5310/8120=1 HA ASN 99 - QD1 ILE 124 lone 4 100 - 4 - HA GLU 82 - QD1 ILE 124 lone 3 95 - 3 - HA GLU 69 - QD1 ILE 124 lone 2 81 - 3 - Peak 8120 from cnoeabs.peaks (1.38, 0.89, 13.31 ppm; 3.60 A): 5 out of 8 assignments used, quality = 0.89: QG2 THR 121 + QD1 ILE 124 OK 71 100 - 71 - 2.1/8119=20, 8088/2.1=19...(14) HB3 LEU 93 + QD1 ILE 124 OK 33 99 - 34 - 8115/3.2=6, 3.0/8118=5...(14) HB2 LEU 111 + QD1 ILE 124 OK 21 92 - 23 - 8115/3.2=4, 1.8/5374=2...(10) HB3 LEU 59 + QD1 ILE 124 OK 16 65 - 24 - 3409=3, 3.0/3416=2...(13) HG LEU 59 + QD1 ILE 124 OK 13 65 - 20 - 3416=3, 3.0/3409=3...(11) HB2 LEU 27 - QD1 ILE 124 lone 6 78 - 7 - 5307/8119=1, 3.0/8119=1 HB VAL 110 - QD1 ILE 124 lone 5 85 - 5 - HG2 LYS 31 - QD1 ILE 124 lone 4 100 - 4 - Peak 8121 from cnoeabs.peaks (1.05, 0.89, 13.31 ppm; 3.84 A): 0 out of 5 assignments used, low quality = 0.34: QD2 LEU 101 - QD1 ILE 124 OK 20 83 - 25 - 7728/4.7=4, 2.1/5372=3...(10) QG1 VAL 120 - QD1 ILE 124 OK 16 81 - 20 - 3.9/8106=9, ~8056=7...(4) HB3 LEU 21 - QD1 ILE 124 lone 4 100 - 4 - 4.6/5940=1 HG13 ILE 34 - QD1 ILE 124 lone 2 97 - 2 - QG2 THR 33 - QD1 ILE 124 lone 1 100 - 1 - Peak 8122 from cnoeabs.peaks (2.75, 4.14, 62.07 ppm; 5.01 A): 2 out of 8 assignments used, quality = 0.76: HB2 ASP 123 + HA ILE 124 OK 73 100 - 73 - 635/3.0=41, ~636=24...(4) HB3 ASN 108 + HA ILE 124 OK 11 73 - 15 - 635/3.0=2, 1.8/4869=2...(7) HB3 ASN 99 - HA SER 78 poor 5 34 - 15 - 4630/3.6=5, ~1481=2...(6) HB3 ASN 106 - HA ILE 124 lone 5 63 - 8 - ~634=1, ~4812=1 HB3 ASN 99 - HA ILE 124 lone 4 65 - 6 - 4.1/487=1, 7678/3.0=1 HB3 ASN 108 - HA SER 78 poor 4 39 - 10 - HB2 ASP 123 - HA SER 78 lone 2 61 - 3 - 4.2/5334=1 HB3 ASN 106 - HA SER 78 lone 1 32 - 2 - Peak 8123 from cnoeabs.peaks (4.41, 1.98, 38.44 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.93: HA THR 121 + HB ILE 124 OK 84 100 - 84 - 8125/2.1=21, 8118/3.2=20...(14) HA LYS 32 + HB ILE 124 OK 41 92 - 44 - 8117/3.0=9, 8125/2.1=9...(13) HA LEU 93 + HB ILE 124 OK 30 65 - 45 - 8125/2.1=9, 8118/3.2=7...(12) HA SER 29 - HB ILE 124 lone 3 68 - 5 - Peak 8124 from cnoeabs.peaks (3.94, 0.96, 17.23 ppm; 4.51 A): 3 out of 10 assignments used, quality = 0.92: HA2 GLY 125 + QG2 ILE 124 OK 66 90 - 73 - 3.0/5937=20, ~5936=12...(16) HA3 GLY 125 + QG2 ILE 124 OK 66 90 - 73 - 3.0/5937=20, ~5936=12...(16) HA SER 74 + QG2 ILE 124 OK 32 96 - 34 - 8510/3.2=6, 2.9/5937=5...(14) HB THR 62 - QG2 ILE 124 OK 15 78 - 20 - 3.9/5937=5, ~7109=3...(7) HA ALA 43 - QG2 ILE 124 OK 15 90 - 16 - 6035/4.0=5, 6805/2.1=2...(6) HD3 PRO 68 - QG2 ILE 124 OK 14 78 - 17 - 2.3/5350=2, 3.0/5350=2...(7) HD2 PRO 68 - QG2 ILE 124 OK 13 73 - 17 - 2.3/5350=2, 3.0/5350=2...(7) HA ARG 85 - QG2 ILE 124 lone 10 100 - 10 - 3.6/7507=2, 4.8/7485=1 HA2 GLY 25 - QG2 ILE 124 lone 8 100 - 7 - 6485=2 HA THR 23 - QG2 ILE 124 lone 4 100 - 4 - Peak 8125 from cnoeabs.peaks (4.40, 0.96, 17.23 ppm; 4.53 A): 3 out of 5 assignments used, quality = 0.91: HA THR 121 + QG2 ILE 124 OK 80 99 - 80 - 8118/3.2=20, 8123/2.1=18...(12) HA LEU 93 + QG2 ILE 124 OK 37 78 - 47 - 3.0/8115=9, 8118/3.2=7...(13) HA LYS 32 + QG2 ILE 124 OK 33 83 - 40 - 8123/2.1=9, 8117/3.2=8...(13) HA GLN 105 - QG2 ILE 124 lone 2 71 - 3 - HA SER 35 - QG2 ILE 124 lone 1 63 - 2 - Peak 8126 from cnoeabs.peaks (4.43, 1.55, 27.37 ppm; 4.65 A): 3 out of 8 assignments used, quality = 0.91: HA THR 121 + HG12 ILE 124 OK 73 87 - 84 - 3.2/8088=23, 8077=21...(15) HA SER 113 + HG12 ILE 124 OK 48 97 - 50 - 8117/1.8=7, 7940/3.0=5...(17) HA LYS 32 + HG12 ILE 124 OK 39 100 - 39 - 8117/1.8=9, 8123/3.0=5...(13) HA SER 113 - HG2 ARG 57 poor 9 50 - 17 - ~3323=3, ~3339=2...(9) HA SER 29 - HG12 ILE 124 lone 4 99 - 4 - HA LYS 32 - HG2 ARG 57 lone 2 54 - 3 - HA THR 121 - HG2 ARG 57 lone 1 42 - 3 - HA SER 29 - HG2 ARG 57 lone 1 54 - 2 - Peak 8130 from cnoeabs.peaks (6.89, 7.55, 120.30 ppm; 6.14 A): 1 out of 4 assignments used, quality = 0.97: HZ3 TRP 20 + HE3 TRP 20 OK 97 97 - 100 - 2.5=100 H LYS 46 - HE3 TRP 20 OK 39 95 - 41 - 2095/4.3=8, ~2919=6...(9) QE TYR 102 - HE3 TRP 20 OK 18 75 - 24 - ~4714=2, 4556/5.0=2...(12) HE22 GLN 103 - HE3 TRP 20 OK 10 96 - 11 - 2095/4.3=2, 4556/5.0=2, ~758=1 Peak 8132 from cnoeabs.peaks (7.29, 7.12, 131.33 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.97: HZ PHE 40 + QD PHE 40 OK 97 97 - 100 - 3.8=100 QD PHE 96 - QD PHE 40 OK 23 84 - 27 - 2767/2.2=5, 2.2/2775=5...(10) HD1 TRP 20 - QD PHE 40 lone 5 97 - 5 - 6352/6351=1, 2767/2.2=1 HE ARG 57 - QD PHE 40 lone 2 63 - 3 - Peak 8133 from cnoeabs.peaks (4.13, 7.25, 130.94 ppm; 4.90 A): 5 out of 24 assignments used, quality = 0.92: HA ALA 98 + QE PHE 96 OK 62 93 - 66 - 7657=13, ~4702=11...(14) HB2 SER 113 + QE PHE 96 OK 48 72 - 67 - ~4708=18, ~7928=17...(10) HA PRO 37 + QE PHE 40 OK 32 53 - 60 - 6699/2.2=23, 5998/4.4=19...(9) HA ARG 57 + QE PHE 96 OK 25 78 - 32 - 4.5/7047=5, 3.6/8643=4...(10) HA3 GLY 25 + QE PHE 96 OK 23 78 - 29 - 3.0/1440=6, 5494=5...(7) HA PHE 83 - QE PHE 96 OK 20 82 - 25 - 4707/2.2=4, 4192/4.4=4...(7) HA PHE 83 - QE PHE 40 OK 20 48 - 42 - 4196/2.2=11, ~4210=7...(8) HB3 SER 78 - QE PHE 96 OK 16 93 - 17 - ~4708=4, 1.8/4705=3, 4707/2.2=2 HA ASN 108 - QE PHE 96 OK 15 89 - 17 - 7657=3, 4707/2.2=3...(4) HA PRO 37 - QE PHE 96 OK 15 89 - 16 - 6699/2.2=3, 4707/2.2=2 HA ILE 63 - QE PHE 96 OK 10 93 - 11 - 4707/2.2=2, ~4713=2 HA ILE 124 - QE PHE 96 OK 10 91 - 11 - 4707/2.2=1 HA ILE 63 - QE PHE 40 poor 7 57 - 13 - 3.2/7125=2, 3.6/1471=1...(4) HB3 SER 78 - QE PHE 40 poor 6 58 - 11 - 3.9/7359=3, 4.5/7378=2...(4) HA ALA 98 - QE PHE 40 poor 6 58 - 11 - 7657=1, 6177/6.5=1 HA ILE 124 - QE PHE 40 lone 5 55 - 9 - HA GLU 28 - QE PHE 40 poor 5 33 - 15 - ~4673=4, 6001/4.4=2...(5) HA GLU 28 - QE PHE 96 lone 4 60 - 7 - HA ASN 108 - QE PHE 40 lone 4 53 - 8 - 7657=1 HB2 SER 113 - QE PHE 40 lone 3 41 - 8 - HB3 SER 72 - QE PHE 96 lone 3 92 - 3 - HA ARG 57 - QE PHE 40 lone 2 45 - 5 - HA3 GLY 25 - QE PHE 40 lone 2 45 - 4 - HB3 SER 72 - QE PHE 40 lone 1 56 - 2 - Peak 8134 from cnoeabs.peaks (1.27, 7.25, 130.94 ppm; 4.53 A): 2 out of 14 assignments used, quality = 0.94: QG2 ILE 80 + QE PHE 96 OK 76 95 - 80 - 7391/2.2=19, 7391=18...(25) QD1 ILE 80 + QE PHE 96 OK 75 95 - 80 - 7397=16, 4711/2.2=15...(23) HG LEU 54 - QE PHE 96 OK 17 83 - 20 - ~6981=4, 4728/2.2=3...(6) HG3 LYS 32 - QE PHE 96 OK 15 92 - 16 - 4711/2.2=5, 4728/2.2=2...(4) QD1 ILE 80 - QE PHE 40 OK 14 59 - 24 - 7397=5, ~4815=3, ~7392=3...(6) QG2 ILE 80 - QE PHE 40 OK 14 59 - 24 - 7392/2.2=6, 3.2/7397=4...(5) QG2 THR 116 - QE PHE 96 OK 13 94 - 14 - 4728/2.2=3, 4711/2.2=2 HG3 LYS 32 - QE PHE 40 OK 12 56 - 20 - ~4668=5, ~6744=4...(6) QG2 THR 19 - QE PHE 96 lone 7 90 - 7 - 4711/2.2=1, 4728/2.2=1 HG13 ILE 124 - QE PHE 96 lone 4 55 - 7 - HG LEU 54 - QE PHE 40 lone 3 49 - 6 - 2.1/8497=2 QG2 THR 116 - QE PHE 40 lone 2 59 - 4 - QG2 THR 19 - QE PHE 40 lone 2 54 - 4 - HG13 ILE 124 - QE PHE 40 lone 1 30 - 5 - Peak 8135 from cnoeabs.peaks (1.01, 7.25, 130.94 ppm; 4.78 A): 5 out of 14 assignments used, quality = 0.94: QD2 LEU 101 + QE PHE 96 OK 59 74 - 80 - 7726/2.2=26, 2.1/8744=13...(20) QD1 LEU 101 + QE PHE 96 OK 48 60 - 80 - ~7726=21, ~4729=17...(17) HB3 LEU 27 + QE PHE 40 OK 40 58 - 69 - ~6535=15, ~6533=12...(16) HB3 LEU 27 + QE PHE 96 OK 34 93 - 37 - 4729/2.2=8, 4.0/93=6...(11) QD1 LEU 58 + QE PHE 96 OK 26 90 - 29 - 4729/2.2=6, 2.1/6348=3...(8) QG1 VAL 18 - QE PHE 40 OK 23 31 - 74 - ~6351=24, ~4668=17...(10) QD2 LEU 58 - QE PHE 96 OK 20 78 - 25 - ~4729=4, 4729/2.2=4...(6) QD2 LEU 101 - QE PHE 40 OK 16 42 - 38 - 7727=5, ~4670=5...(12) QD1 LEU 58 - QE PHE 40 OK 15 54 - 27 - 7049/2.2=5, ~6349=5...(7) QG1 VAL 120 - QE PHE 96 OK 12 76 - 15 - 4729/2.2=4, 8048/7391=2 QD1 LEU 101 - QE PHE 40 OK 11 33 - 35 - 2.1/7727=6, 3.1/7718=4...(11) QD2 LEU 58 - QE PHE 40 poor 10 45 - 22 - 6349/2.2=5, ~7049=4...(6) QG1 VAL 18 - QE PHE 96 lone 5 57 - 9 - 4712/2.2=2, 6348=1 QG1 VAL 120 - QE PHE 40 lone 2 44 - 5 - Peak 8136 from cnoeabs.peaks (0.63, 7.25, 130.94 ppm; 4.58 A): 4 out of 10 assignments used, quality = 0.93: QD1 LEU 51 + QE PHE 96 OK 61 94 - 65 - 6942/2.2=25, ~6940=16...(12) QG2 VAL 26 + QE PHE 96 OK 56 95 - 59 - ~4732=10, 2252=9...(17) QG1 VAL 26 + QE PHE 96 OK 51 86 - 59 - 4732/2.2=11, 2257=9...(16) QD1 LEU 51 + QE PHE 40 OK 19 58 - 33 - 6941=9, ~6938=7, ~4672=7...(7) QD1 LEU 21 - QE PHE 96 poor 9 52 - 17 - 2.1/6395=3, 3.7/6559=2...(5) QD1 LEU 45 - QE PHE 96 poor 9 74 - 12 - 6849/4704=3, 7707/8744=1 QG2 VAL 26 - QE PHE 40 poor 7 59 - 12 - 4.1/93=2 QG1 VAL 26 - QE PHE 40 poor 6 51 - 12 - 4.1/93=2, 6508/4.4=2 QD1 LEU 45 - QE PHE 40 lone 2 42 - 6 - QD1 LEU 21 - QE PHE 40 lone 2 28 - 6 - Peak 8137 from cnoeabs.peaks (0.13, 7.25, 130.94 ppm; 4.85 A): 3 out of 6 assignments used, quality = 0.99: QG1 VAL 110 + QE PHE 96 OK 91 94 - 97 - 2.1/4727=36, ~4715=32...(29) QD2 LEU 84 + QE PHE 96 OK 81 94 - 86 - 7478/2.2=22, 7478=19...(25) QD2 LEU 51 + QE PHE 96 OK 48 69 - 70 - 6940/2.2=19, ~6942=18...(16) QG1 VAL 110 - QE PHE 40 OK 21 59 - 36 - 7857/2.2=8, 2.1/4727=7...(8) QD2 LEU 84 - QE PHE 40 OK 16 59 - 28 - 7479/2.2=12, ~7476=5...(4) QD2 LEU 51 - QE PHE 40 OK 14 39 - 35 - ~6938=8, 2.1/6941=8...(7) Peak 8138 from cnoeabs.peaks (7.19, 6.75, 127.53 ppm; 4.96 A): 1 out of 5 assignments used, quality = 0.99: QD PHE 107 + HZ PHE 107 OK 99 99 - 100 - 3.8=100 HE ARG 81 - HZ PHE 107 OK 45 96 - 46 - 4854/2.2=10, 2.9/4770=9...(11) QD TYR 67 - HZ PHE 107 OK 39 98 - 40 - 4854/2.2=10, 4833/5.8=6...(11) H LYS 65 - HZ PHE 107 OK 13 77 - 17 - 4854/2.2=4 QE PHE 40 - HZ PHE 107 poor 7 61 - 11 - 6350/4777=1 Peak 8148 from cnoeabs.peaks (1.80, 2.89, 39.63 ppm; 5.16 A): 4 out of 22 assignments used, quality = 0.94: HB2 PRO 37 + HB2 PHE 40 OK 70 96 - 73 - 2.3/5998=29, ~6000=20...(10) HB3 GLN 105 + HB2 ASP 100 OK 53 76 - 70 - 7695/3.0=18, 1.8/7782=17...(13) HB2 PRO 60 + HB2 PHE 40 OK 39 97 - 40 - 3.0/2745=6, ~4567=5...(12) HB3 ARG 57 + HB2 ASP 100 OK 28 89 - 32 - 7695/3.0=6, ~7696=4...(12) HB2 LYS 32 - HB2 PHE 40 OK 24 96 - 24 - 4666/2.5=4, ~4668=4...(8) HB2 PRO 37 - HB2 ASP 100 OK 18 98 - 18 - 2.3/5998=9, 6679/6742=3...(5) HB3 GLN 105 - HB2 PHE 40 OK 12 74 - 16 - 4.0/7783=4, 1.8/7782=3...(5) HG13 ILE 63 - HB2 PHE 40 poor 9 69 - 12 - ~7131=6, ~4669=1...(4) HB2 LEU 117 - HB2 PHE 40 lone 7 76 - 9 - 4666/2.5=2, ~4666=1 HB2 PRO 60 - HB2 ASP 100 lone 6 99 - 6 - HB2 LYS 32 - HB2 ASP 100 lone 5 98 - 5 - HB3 ARG 57 - HB2 PHE 40 lone 5 86 - 6 - HB3 GLU 56 - HB2 PHE 40 lone 5 99 - 5 - 2665/5998=1 HG13 ILE 63 - HB2 ASP 100 lone 4 71 - 6 - 7695/3.0=1 HB2 GLU 75 - HB2 PHE 40 lone 4 80 - 5 - 2665/5998=1 HB3 ARG 92 - HB2 PHE 40 lone 4 95 - 4 - HB3 GLU 56 - HB2 ASP 100 lone 4 100 - 4 - HG2 GLU 75 - HB2 PHE 40 lone 3 84 - 4 - HG2 GLU 75 - HB2 ASP 100 lone 2 87 - 3 - HB3 ARG 92 - HB2 ASP 100 lone 2 97 - 2 - HB2 GLU 75 - HB2 ASP 100 lone 2 83 - 3 - HB2 LEU 117 - HB2 ASP 100 lone 2 78 - 2 - Peak 8149 from cnoeabs.peaks (2.76, 3.12, 39.63 ppm; 4.66 A): 0 out of 2 assignments used, low quality = 0.22: HB3 ASN 108 - HB3 ASP 100 OK 22 57 - 38 - 3.5/5831=8, 7693/3.0=7...(11) HB2 ASP 123 - HB3 ASP 100 lone 1 100 - 1 - Peak 8150 from cnoeabs.peaks (0.00, 3.12, 39.63 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.62: QG2 VAL 110 + HB3 ASP 100 OK 62 93 - 67 - 7698/4.3=33, 6743/1.8=23...(10) Peak 8151 from cnoeabs.peaks (8.60, 2.89, 39.63 ppm; 4.92 A): 4 out of 6 assignments used, quality = 0.56: H ILE 34 + HB2 PHE 40 OK 34 94 - 37 - 4.0/6742=25, 5.0/6646=15 H VAL 18 + HB2 PHE 40 OK 15 92 - 16 - 44/3.0=8, 2601/6742=4...(4) H ILE 34 + HB2 ASP 100 OK 12 96 - 13 - 4.0/6742=8, 5.0/6646=4 H SER 29 + HB2 PHE 40 OK 11 94 - 11 - 105/4.0=4, 4.4/2742=2...(4) H VAL 18 - HB2 ASP 100 lone 9 95 - 9 - 44/3.0=3, ~8416=2, 2601/6742=1 H SER 29 - HB2 ASP 100 lone 4 96 - 4 - Peak 8152 from cnoeabs.peaks (7.19, 0.99, 22.75 ppm; 3.65 A): 3 out of 4 assignments used, quality = 0.80: QD PHE 107 + QD1 LEU 101 OK 70 100 - 70 - 4807=19, 4812/7709=13...(21) QD TYR 67 + QD1 LEU 101 OK 20 97 - 21 - 7861/7709=2, 2.2/7722=2...(6) H LYS 65 + QD1 LEU 101 OK 16 71 - 22 - 1083=4, 3.0/3575=2...(7) HE ARG 81 - QD1 LEU 101 lone 8 99 - 8 - 2.9/7703=2 Peak 8153 from cnoeabs.peaks (0.55, 1.03, 27.12 ppm; 3.99 A): 4 out of 4 assignments used, quality = 0.82: QD2 LEU 45 + QD2 LEU 101 OK 63 100 - 63 - 8154/2.1=14, 6921=9...(23) HG12 ILE 34 + QD2 LEU 101 OK 24 100 - 24 - 8154/2.1=6, ~6651=3...(7) QG1 VAL 50 + QD2 LEU 101 OK 22 96 - 24 - 8154/2.1=5, 6921=4...(7) QD2 LEU 77 + QD2 LEU 101 OK 18 87 - 20 - 7735/4.9=6, 8154/2.1=5...(5) Peak 8154 from cnoeabs.peaks (0.56, 0.99, 22.75 ppm; 4.31 A): 4 out of 4 assignments used, quality = 0.89: QD2 LEU 45 + QD1 LEU 101 OK 70 99 - 71 - 8153/2.1=19, 3.1/6840=11...(20) HG12 ILE 34 + QD1 LEU 101 OK 32 97 - 33 - 8153/2.1=7, 2.1/6651=6...(12) QD2 LEU 77 + QD1 LEU 101 OK 27 97 - 28 - 7735/4.9=8, 8153/2.1=5...(7) QG1 VAL 50 + QD1 LEU 101 OK 27 100 - 27 - 8153/2.1=7, 7735/4.9=3...(7) Peak 8155 from cnoeabs.peaks (2.98, 2.64, 33.36 ppm; 5.06 A): 4 out of 6 assignments used, quality = 0.77: HB3 TYR 102 + HG2 GLN 103 OK 61 83 - 74 - 4.6/4740=26, 2.5/4740=26...(9) HG3 GLU 82 + HG2 GLN 103 OK 19 57 - 34 - 4.1/7774=10, 4188/1.8=6...(8) HA VAL 110 + HG2 GLN 103 OK 16 100 - 16 - 5876/3.5=4, 3.5/4746=4...(5) HB2 ASN 12 + HG2 GLN 103 OK 10 99 - 10 - 8175/3.0=4, 509/5.0=3 HE2 LYS 31 - HG2 GLN 103 lone 2 99 - 2 - HE3 LYS 31 - HG2 GLN 103 lone 2 99 - 2 - Peak 8156 from cnoeabs.peaks (1.76, 3.86, 46.42 ppm; 5.35 A): 6 out of 16 assignments used, quality = 0.88: HG2 GLN 42 + HA3 GLY 104 OK 52 100 - 52 - 3.5/6798=13, 8157/1.8=10...(9) HD2 LYS 109 + HA3 GLY 104 OK 35 100 - 35 - ~4920=7, 8157/1.8=7...(8) HD3 LYS 109 + HA3 GLY 104 OK 35 100 - 35 - ~4920=7, 8157/1.8=7...(8) HG3 PRO 30 + HA3 GLY 104 OK 23 100 - 23 - 8157/1.8=4, ~2373=4...(7) HB3 LYS 46 + HA3 GLY 104 OK 11 97 - 11 - ~515=3, 8157/1.8=2...(5) HB2 LYS 32 + HA3 GLY 104 OK 11 73 - 15 - 4.7/5849=4, 1.8/8754=2...(7) HG3 ARG 71 - HA3 GLY 104 lone 5 99 - 5 - 8157/1.8=1 HG2 ARG 71 - HA3 GLY 104 lone 5 85 - 5 - HB2 PRO 37 - HA3 GLY 104 lone 4 73 - 6 - HB2 LEU 45 - HA3 GLY 104 lone 4 98 - 4 - HB2 LEU 117 - HA3 GLY 104 lone 4 97 - 4 - HG LEU 117 - HA3 GLY 104 lone 4 100 - 4 - HB2 GLU 75 - HA3 GLY 104 lone 3 95 - 3 - HB2 LEU 91 - HA3 GLY 104 lone 2 63 - 4 - ~8568=1 HB VAL 66 - HA3 GLY 104 lone 2 92 - 2 - HB2 ARG 53 - HA3 GLY 104 lone 2 81 - 2 - Peak 8157 from cnoeabs.peaks (1.76, 3.71, 46.42 ppm; 5.60 A): 5 out of 16 assignments used, quality = 0.90: HG2 GLN 42 + HA2 GLY 104 OK 60 100 - 60 - 3.5/8390=29, 8156/1.8=11...(8) HD2 LYS 109 + HA2 GLY 104 OK 38 100 - 38 - 8156/1.8=8, ~4920=7...(8) HD3 LYS 109 + HA2 GLY 104 OK 38 100 - 38 - 8156/1.8=8, ~4920=7...(8) HG3 PRO 30 + HA2 GLY 104 OK 25 100 - 25 - 8156/1.8=5, 2.3/2373=3...(9) HB3 LYS 46 + HA2 GLY 104 OK 12 97 - 12 - ~515=4, 739/8390=3...(4) HB2 LYS 32 - HA2 GLY 104 poor 10 73 - 13 - 4.7/5848=4, 8156/1.8=2...(5) HG3 ARG 71 - HA2 GLY 104 lone 6 99 - 6 - 8156/1.8=1, ~515=1 HG2 ARG 71 - HA2 GLY 104 lone 5 85 - 6 - ~515=1 HB2 LEU 45 - HA2 GLY 104 lone 5 98 - 5 - HG LEU 117 - HA2 GLY 104 lone 4 100 - 4 - HB2 PRO 37 - HA2 GLY 104 lone 4 73 - 5 - HB2 LEU 117 - HA2 GLY 104 lone 4 97 - 4 - HB2 GLU 75 - HA2 GLY 104 lone 4 95 - 4 - HB2 LEU 91 - HA2 GLY 104 lone 3 63 - 5 - ~8568=2 HB VAL 66 - HA2 GLY 104 lone 2 92 - 2 - HB2 ARG 53 - HA2 GLY 104 lone 2 81 - 3 - Peak 8158 from cnoeabs.peaks (7.19, 1.21, 40.93 ppm; 5.23 A): 2 out of 10 assignments used, quality = 0.95: QD PHE 107 + HB3 LEU 111 OK 92 100 - 92 - 2.2/7888=26, 7889/3.1=24...(20) QD TYR 67 + HB3 LEU 111 OK 38 98 - 39 - 7889/3.1=8, 2.2/7887=5...(12) QD PHE 107 - HB2 LEU 77 OK 22 54 - 40 - 8295/1.8=11, 2.2/7888=6...(10) QD TYR 67 - HB2 LEU 77 OK 21 51 - 40 - 8295/1.8=12, 4816/4.3=8...(9) H LYS 65 - HB3 LEU 111 OK 15 76 - 19 - 7889/3.1=4, 7165/3.0=4...(5) QE PHE 40 - HB3 LEU 111 OK 13 60 - 22 - 4830/3.1=5, 2.2/6744=5...(6) HE ARG 81 - HB3 LEU 111 OK 11 98 - 12 - 7889/3.1=3, 4854/7888=2...(5) QE PHE 40 - HB2 LEU 77 poor 9 26 - 33 - 2.2/4668=8, 2.2/4814=6...(11) H LYS 65 - HB2 LEU 77 poor 4 35 - 13 - 7359/4.3=3, ~7167=3, 8295/1.8=2 HE ARG 81 - HB2 LEU 77 lone 3 51 - 5 - 8295/1.8=1 Peak 8160 from cnoeabs.peaks (4.33, 0.80, 24.39 ppm; 4.06 A): 3 out of 5 assignments used, quality = 0.86: HB THR 17 + QD1 LEU 111 OK 82 100 - 82 - 2.8/8162=30, 2.1/8166=26...(10) HB3 SER 113 + QD1 LEU 111 OK 15 63 - 24 - 1.8/7903=5, ~7933=3...(9) HA PHE 40 + QD1 LEU 111 OK 11 96 - 12 - 5.6/4830=3, 6019/8166=2...(4) HB2 SER 78 - QD1 LEU 111 poor 10 65 - 15 - 1.8/7903=3, 6095/4.0=2...(6) HA ASP 100 - QD1 LEU 111 lone 6 71 - 9 - 3.6/7890=5 Peak 8161 from cnoeabs.peaks (4.33, 0.73, 24.77 ppm; 4.18 A): 4 out of 15 assignments used, quality = 0.91: HB THR 17 + QD2 LEU 111 OK 73 100 - 73 - 2.1/6336=25, 8160/2.1=25...(8) HB THR 17 + HG LEU 111 OK 55 76 - 73 - 8160/2.1=25, ~8162=19...(9) HB3 SER 113 + QD2 LEU 111 OK 17 63 - 27 - 1.8/7933=5, 8160/2.1=4...(10) HB3 SER 113 + HG LEU 111 OK 10 40 - 25 - 8160/2.1=4, 1.8/7933=4...(9) HB2 SER 78 - QD2 LEU 111 poor 10 65 - 15 - 8160/2.1=3, 6095/4.0=2...(6) HA PHE 40 - QD2 LEU 111 lone 9 96 - 10 - 8160/2.1=3, 6019/6336=2 HB3 SER 113 - QD2 LEU 93 poor 8 41 - 18 - ~8525=5, ~7932=4...(5) HA PHE 40 - HG LEU 111 poor 7 68 - 11 - 8160/2.1=3, 6017/4.9=2 HB2 SER 78 - HG LEU 111 poor 6 42 - 14 - 8160/2.1=3, 6095/4.3=2...(5) HA ASP 100 - QD2 LEU 111 lone 4 71 - 6 - 3.6/7893=2, 8160/2.1=2 HB THR 17 - QD2 LEU 93 lone 4 77 - 5 - HA PHE 40 - QD2 LEU 93 lone 3 70 - 4 - 3.6/5805=1 HA ASP 100 - HG LEU 111 lone 2 46 - 5 - 8160/2.1=2, 3.6/7893=2 HA ASP 100 - QD2 LEU 93 lone 1 47 - 2 - HB2 SER 78 - QD2 LEU 93 lone 1 43 - 2 - Peak 8162 from cnoeabs.peaks (5.04, 0.80, 24.39 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.71: HG1 THR 17 + QD1 LEU 111 OK 71 100 - 71 - 3.0/8166=22, 2.8/8160=21...(10) Peak 8163 from cnoeabs.peaks (5.04, 0.73, 24.77 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.93: HG1 THR 17 + QD2 LEU 111 OK 82 98 - 83 - 8162/2.1=44, 3.0/6336=25...(10) HG1 THR 17 + HG LEU 111 OK 60 72 - 83 - 8162/2.1=44, ~8160=17...(11) HG1 THR 17 - QD2 LEU 93 lone 5 73 - 6 - 8162/5022=1, 6312/6298=1 Peak 8164 from cnoeabs.peaks (0.13, 0.80, 24.39 ppm; 5.07 A): 3 out of 3 assignments used, quality = 0.91: QG1 VAL 110 + QD1 LEU 111 OK 76 99 - 77 - 7916/4.0=20, 5878/4.7=18...(20) QD2 LEU 84 + QD1 LEU 111 OK 55 99 - 56 - 7916/4.0=9, 563/4.7=8...(18) QD2 LEU 51 + QD1 LEU 111 OK 14 63 - 22 - 7916/4.0=5, 563/4.7=5...(7) Peak 8165 from cnoeabs.peaks (0.13, 0.73, 24.77 ppm; 4.74 A): 4 out of 9 assignments used, quality = 0.98: QG1 VAL 110 + QD2 LEU 111 OK 77 100 - 77 - 7916/4.0=18, 8164/2.1=18...(19) QD2 LEU 84 + QD2 LEU 111 OK 66 100 - 66 - 8164/2.1=13, 7916/4.0=8...(23) QG1 VAL 110 + HG LEU 111 OK 57 76 - 75 - 8164/2.1=18, 7916/4.3=17...(18) QD2 LEU 84 + HG LEU 111 OK 50 76 - 66 - 8164/2.1=13, 7916/4.3=8...(24) QD2 LEU 84 - QD2 LEU 93 OK 30 77 - 39 - 7479/4.7=5, 4266=4...(17) QG1 VAL 110 - QD2 LEU 93 OK 28 77 - 36 - 7874/2.1=6, 7857/4.7=6...(9) QD2 LEU 51 - QD2 LEU 111 OK 19 78 - 24 - 7916/4.0=4, 563/4.7=4...(6) QD2 LEU 51 - HG LEU 111 OK 12 52 - 23 - 7916/4.3=4, 563/5.3=4...(5) QD2 LEU 51 - QD2 LEU 93 poor 8 53 - 14 - 6940/4.7=4, 6929/2.1=2 Peak 8166 from cnoeabs.peaks (1.34, 0.80, 24.39 ppm; 3.34 A): 1 out of 9 assignments used, quality = 0.55: QG2 THR 17 + QD1 LEU 111 OK 55 95 - 58 - 6336/2.1=20, 3.0/8162=19...(9) HG3 LYS 119 - QD1 LEU 111 lone 6 78 - 8 - 1.8/7911=2, 2.9/7910=2 QB ALA 43 - QD1 LEU 111 lone 6 99 - 6 - 6020/8160=1, 6809/4.0=1 HG3 LYS 46 - QD1 LEU 111 lone 5 95 - 5 - HG2 LYS 46 - QD1 LEU 111 lone 5 95 - 5 - HG CYS 87 - QD1 LEU 111 lone 5 60 - 8 - 4.6/7900=2, ~8522=2, 3.4/7908=1 HB3 LEU 59 - QD1 LEU 111 lone 4 100 - 4 - 3407/3.1=1 QG2 THR 23 - QD1 LEU 111 lone 3 71 - 4 - 4.0/78=3 HG2 LYS 31 - QD1 LEU 111 lone 3 65 - 4 - 1.8/7911=1 Peak 8167 from cnoeabs.peaks (1.34, 0.73, 24.77 ppm; 3.49 A): 4 out of 27 assignments used, quality = 0.82: QG2 THR 17 + QD2 LEU 111 OK 60 95 - 63 - 6336=25, ~8162=12...(10) QG2 THR 17 + HG LEU 111 OK 40 67 - 60 - 6336/2.1=21, ~8162=12...(10) HB3 LEU 59 + QD2 LEU 93 OK 14 77 - 18 - 3408/2.1=3, 3407/3.1=2...(5) HG CYS 87 + QD2 LEU 93 OK 13 39 - 33 - ~8523=8, 3.4/7541=4...(13) HG2 LYS 31 - QD2 LEU 93 poor 9 43 - 21 - 2430/3.1=2, ~2439=2...(9) HG3 LYS 119 - QD2 LEU 111 lone 7 78 - 9 - ~8033=1, ~7910=1, ~7911=1 HG CYS 87 - QD2 LEU 111 poor 7 60 - 11 - 4.6/7535=2, ~8522=2...(6) HB3 LEU 59 - QD2 LEU 111 lone 5 100 - 5 - 3407/3.1=1 QB ALA 43 - QD2 LEU 111 lone 5 99 - 5 - 6809/4.0=1 QB ALA 43 - HG LEU 111 lone 5 72 - 7 - 6817/4.9=3, 6809/4.3=1 HG2 LYS 46 - QD2 LEU 111 lone 5 95 - 5 - HG3 LYS 46 - QD2 LEU 111 lone 5 95 - 5 - HG3 LYS 119 - HG LEU 111 lone 4 52 - 8 - ~8033=1, ~7910=1, ~7911=1 HG3 LYS 119 - QD2 LEU 93 lone 4 53 - 8 - ~8030=1 HB3 LEU 59 - HG LEU 111 lone 4 75 - 6 - 3407/3.0=1 HG CYS 87 - HG LEU 111 poor 4 38 - 11 - 3.4/7541=2, 3.4/7546=2...(4) HG2 LYS 31 - QD2 LEU 111 lone 3 65 - 5 - HG2 LYS 46 - HG LEU 111 lone 3 67 - 4 - HG3 LYS 46 - HG LEU 111 lone 3 67 - 4 - QG2 THR 17 - QD2 LEU 93 lone 2 68 - 3 - HG2 LYS 46 - QD2 LEU 93 lone 2 68 - 3 - HG3 LYS 46 - QD2 LEU 93 lone 2 68 - 3 - HG2 LYS 31 - HG LEU 111 lone 2 42 - 5 - QB ALA 43 - QD2 LEU 93 lone 2 74 - 3 - QG2 THR 23 - QD2 LEU 111 lone 1 71 - 2 - QG2 THR 23 - HG LEU 111 lone 1 46 - 2 - QG2 THR 23 - QD2 LEU 93 lone 1 47 - 1 - Peak 8168 from cnoeabs.peaks (2.00, 0.92, 22.11 ppm; 4.26 A): 5 out of 14 assignments used, quality = 0.89: HB2 LEU 55 + QG2 VAL 115 OK 49 100 - 50 - 3.0/7974=7, 3232/2.1=4...(23) HB2 LYS 46 + QG2 VAL 115 OK 42 100 - 43 - 2.9/7977=6, 2.9/7977=6...(16) HG LEU 114 + QG2 VAL 115 OK 40 87 - 46 - 5895/4.0=7, 7944/3.2=5...(16) HB2 LEU 41 + QG2 VAL 115 OK 30 92 - 33 - 3.0/2783=2, 1.8/2797=2...(18) HB3 PRO 68 + QG2 VAL 115 OK 13 92 - 14 - 3.9/7240=3, 584/4.0=2...(5) HG2 PRO 68 - QG2 VAL 115 poor 10 87 - 11 - 5895/4.0=2, 2.3/7973=1...(4) HB2 MET 11 - QG2 VAL 115 lone 5 96 - 5 - HB ILE 124 - QG2 VAL 115 lone 5 92 - 5 - HB3 GLN 103 - QG2 VAL 115 lone 4 92 - 5 - 584/4.0=1 HG LEU 45 - QG2 VAL 115 lone 4 68 - 6 - HG2 PRO 60 - QG2 VAL 115 lone 3 100 - 3 - HB3 ARG 53 - QG2 VAL 115 lone 3 71 - 5 - HB2 GLU 94 - QG2 VAL 115 lone 3 100 - 3 - HB2 ARG 71 - QG2 VAL 115 lone 2 73 - 2 - Peak 8169 from cnoeabs.peaks (1.47, 0.92, 22.11 ppm; 4.30 A): 7 out of 17 assignments used, quality = 0.91: HG2 LYS 119 + QG2 VAL 115 OK 40 96 - 42 - 7965/2.1=8, ~7964=7...(13) QB ALA 14 + QG2 VAL 115 OK 37 99 - 37 - 6313/8603=10, 2.1/6297=8...(8) HD2 LYS 46 + QG2 VAL 115 OK 36 93 - 39 - 2.9/7977=6, 2.9/7977=6...(15) HB3 LEU 114 + QG2 VAL 115 OK 33 63 - 53 - 4.6/5113=18, 3.0/8168=6...(16) HB2 LEU 93 + QG2 VAL 115 OK 21 99 - 21 - 7965/2.1=3, 3.1/5116=2...(8) HG LEU 93 + QG2 VAL 115 OK 17 83 - 21 - 2.1/5116=2, ~7965=2...(10) HG LEU 91 + QG2 VAL 115 OK 13 89 - 15 - 583/4.0=2, 2.1/5116=2...(6) HG3 ARG 57 - QG2 VAL 115 lone 9 100 - 9 - 5.1/7980=3, 7965/2.1=1, ~7966=1 HB3 LEU 58 - QG2 VAL 115 lone 8 92 - 8 - HG3 LYS 31 - QG2 VAL 115 lone 6 98 - 7 - 7965/2.1=1, 4.0/7974=1 HG2 LYS 109 - QG2 VAL 115 lone 6 99 - 6 - 3.7/7974=2 HG LEU 24 - QG2 VAL 115 lone 5 78 - 6 - 3.0/7978=2 HB3 LEU 45 - QG2 VAL 115 lone 4 78 - 5 - HB3 GLU 75 - QG2 VAL 115 lone 3 78 - 4 - HG2 ARG 85 - QG2 VAL 115 lone 2 68 - 3 - HD2 LYS 65 - QG2 VAL 115 lone 2 60 - 3 - HD3 LYS 65 - QG2 VAL 115 lone 2 60 - 3 - Peak 8170 from cnoeabs.peaks (2.86, 1.27, 22.69 ppm; 4.93 A): 3 out of 10 assignments used, quality = 0.90: HE3 LYS 119 + QG2 THR 116 OK 66 100 - 66 - 8606=10, 3.0/7993=10...(18) HE2 LYS 119 + QG2 THR 116 OK 66 100 - 66 - 8606=10, 3.0/7993=10...(18) HB2 ASN 79 + QG2 THR 116 OK 13 89 - 15 - 4.5/1161=4, ~6104=2...(5) HB3 ASN 12 - QG2 THR 116 lone 7 73 - 9 - 4.0/5904=2, 3.5/7981=2 HB3 PHE 107 - QG2 THR 116 lone 6 90 - 7 - 3.0/8605=3 HB2 ASN 99 - QG2 THR 116 lone 3 85 - 4 - 4.1/7672=1 HB2 TYR 67 - QG2 THR 116 lone 3 81 - 4 - HB3 TYR 67 - QG2 THR 116 lone 3 81 - 4 - HG CYS 52 - QG2 THR 116 lone 3 99 - 3 - 5.4/7981=1 HB2 ASP 36 - QG2 THR 116 lone 2 85 - 2 - Peak 8171 from cnoeabs.peaks (8.54, 1.27, 22.69 ppm; 4.56 A): 2 out of 6 assignments used, quality = 0.57: H GLU 94 + QG2 THR 116 OK 51 100 - 51 - 7615=22, 3.6/5128=9...(8) H ARG 53 + QG2 THR 116 OK 13 99 - 13 - 4.7/1021=2, 5806/8377=2...(4) H LEU 41 - QG2 THR 116 lone 8 100 - 7 - 1584/3.2=2, 5806/8377=1 H GLY 86 - QG2 THR 116 lone 7 78 - 8 - 5806/8377=2, 7506/7986=1 H LEU 77 - QG2 THR 116 lone 6 63 - 10 - 3.0/5127=2, 363/2.1=1...(5) H GLU 38 - QG2 THR 116 lone 5 89 - 6 - Peak 8172 from cnoeabs.peaks (0.81, 1.46, 24.55 ppm; 5.14 A): 6 out of 16 assignments used, quality = 0.95: QG1 VAL 115 + HG2 LYS 119 OK 63 89 - 71 - 7965=12, 7968/3.9=12...(15) QD1 LEU 93 + HG3 LYS 31 OK 39 78 - 50 - 3.1/4486=5, ~2419=4...(25) QD1 ILE 22 + HG2 LYS 119 OK 32 96 - 33 - 8033/2.9=4, ~6436=3...(14) QD2 LEU 91 + HG2 LYS 119 OK 30 100 - 30 - 8030/2.9=4, 605/4.9=4...(10) HB2 ASN 118 + HG2 LYS 119 OK 30 98 - 30 - 5912/4.9=16, 8030/2.9=4...(8) QD1 LEU 59 + HG2 LYS 119 OK 28 60 - 46 - 8030/2.9=5, ~8414=5...(20) QD1 LEU 93 - HG2 LYS 119 OK 28 90 - 31 - 8030/2.9=4, 605/4.9=3...(13) QD2 LEU 91 - HG3 LYS 31 OK 27 91 - 30 - ~8371=3, 4402/2.9=3...(11) QD1 LEU 59 - HG3 LYS 31 OK 25 50 - 52 - ~3413=5, ~8414=5...(26) HG13 ILE 22 - HG2 LYS 119 OK 23 71 - 32 - 8030/2.9=4, ~8033=4...(14) QD1 LEU 111 - HG2 LYS 119 OK 21 90 - 23 - 7910/2.9=3, 8166/1.8=3...(6) QD1 LEU 111 - HG3 LYS 31 OK 12 78 - 15 - 8166/1.8=1, 7911=1, ~2419=1 QG1 VAL 115 - HG3 LYS 31 OK 10 76 - 13 - 7970/4.0=2, 7965=2...(4) QD1 ILE 22 - HG3 LYS 31 poor 9 84 - 10 - HB2 ASN 118 - HG3 LYS 31 lone 7 88 - 8 - 4.6/5220=4 HG13 ILE 22 - HG3 LYS 31 lone 5 59 - 9 - Peak 8174 from cnoeabs.peaks (0.82, 1.32, 24.55 ppm; 5.67 A): 4 out of 27 assignments used, quality = 0.97: QG1 VAL 115 + HG3 LYS 119 OK 75 97 - 77 - 7968/3.9=15, 7968/3.9=15...(15) QG1 VAL 115 + HG3 LYS 46 OK 52 84 - 62 - 7964/1.8=8, 7964=8...(19) QG1 VAL 115 + HG2 LYS 46 OK 52 84 - 62 - 7964/1.8=8, 7964=8...(19) QD1 LEU 59 + HG3 LYS 119 OK 41 76 - 54 - 8030/2.9=6, ~8414=5...(24) HB2 ASN 118 - HG3 LYS 119 OK 35 100 - 35 - 5912/4.9=19, 8030/2.9=4...(8) QD1 ILE 22 - HG3 LYS 119 OK 34 87 - 39 - 3.0/6436=5, 8033/2.9=4...(16) HG13 ILE 22 - HG3 LYS 119 OK 33 85 - 39 - 8030/2.9=5, ~8033=4...(16) QD2 LEU 91 - HG3 LYS 119 OK 31 100 - 31 - 8030/2.9=5, 605/4.9=4...(9) QD1 LEU 93 - HG3 LYS 119 OK 29 97 - 30 - 8030/2.9=5, 605/4.9=3...(9) QD1 LEU 111 - HG3 LYS 119 OK 19 78 - 24 - 7910/2.9=3, 8172/1.8=2...(7) QD1 LEU 59 - HG3 LYS 46 OK 19 63 - 29 - ~3413=3, ~3427=2...(11) QD1 LEU 59 - HG2 LYS 46 OK 19 63 - 29 - ~3413=3, ~3427=2...(11) QD2 LEU 91 - HG3 LYS 46 OK 15 90 - 17 - 4402/2.9=1 QD2 LEU 91 - HG2 LYS 46 OK 15 90 - 17 - 4402/2.9=1 QD2 LEU 55 - HG3 LYS 119 OK 15 60 - 25 - 8030/2.9=3, 605/4.9=3...(9) HB2 ASN 118 - HG2 LYS 46 OK 12 90 - 13 - 4.6/1386=6, 6245/3.9=2 HB2 ASN 118 - HG3 LYS 46 OK 12 90 - 13 - 4.6/1386=6, 6245/3.9=2 QD2 LEU 55 - HG2 LYS 46 OK 11 49 - 22 - ~8298=2, 2.1/8298=2...(4) QD2 LEU 55 - HG3 LYS 46 OK 11 49 - 22 - ~8298=2, 2.1/8298=2...(4) QD1 LEU 111 - HG3 LYS 46 OK 11 65 - 16 - 8166/1.8=2, 8166=2, 7911/2.9=1 QD1 LEU 111 - HG2 LYS 46 OK 11 65 - 16 - 8166/1.8=2, 8166=2, 7911/2.9=1 QD1 LEU 93 - HG3 LYS 46 poor 10 85 - 11 - QD1 LEU 93 - HG2 LYS 46 poor 10 85 - 11 - QD1 ILE 22 - HG3 LYS 46 poor 8 73 - 11 - 3.0/6436=1, ~6436=1 QD1 ILE 22 - HG2 LYS 46 poor 8 73 - 11 - 3.0/6436=1, ~6436=1 HG13 ILE 22 - HG2 LYS 46 lone 7 71 - 10 - 3.2/6436=1, ~6436=1 HG13 ILE 22 - HG3 LYS 46 lone 7 71 - 10 - 3.2/6436=1, ~6436=1 Peak 8175 from cnoeabs.peaks (2.37, 2.98, 38.58 ppm; 5.37 A): 4 out of 9 assignments used, quality = 0.60: HG2 GLU 15 + HB2 ASN 12 OK 26 100 - 27 - ~8176=8, 3.0/6284=6...(5) HG2 PRO 70 + HB2 ASN 12 OK 21 83 - 26 - 2.3/6284=8, ~6285=6...(5) HG2 MET 11 + HB2 ASN 12 OK 19 98 - 19 - 13/4.0=18 HB2 GLN 103 + HB2 ASN 12 OK 14 100 - 15 - 13/4.0=6, 4.0/509=4, 3.0/8155=3 HB3 ASN 118 - HB2 ASN 12 lone 8 90 - 8 - 4.6/1878=3, 13/4.0=1, 5913/3.5=1 HG3 GLN 16 - HB2 ASN 12 lone 5 63 - 8 - 3.0/6284=2, 3.0/6284=2, ~6285=1 HB VAL 18 - HB2 ASN 12 lone 4 97 - 5 - 13/4.0=2 HB2 GLU 82 - HB2 ASN 12 lone 1 60 - 2 - HB3 GLU 82 - HB2 ASN 12 lone 1 60 - 2 - Peak 8176 from cnoeabs.peaks (2.25, 2.88, 38.58 ppm; 5.22 A): 5 out of 13 assignments used, quality = 0.74: HG3 GLU 15 + HB3 ASN 12 OK 33 100 - 34 - 4.6/8419=10, ~8175=8...(5) HG2 GLU 56 + HB3 ASN 12 OK 30 100 - 30 - 6286/3.5=10, 3279/3.5=7...(7) HB2 PRO 70 + HB3 ASN 12 OK 27 100 - 27 - 1.8/6285=8, ~6284=6...(5) HG3 GLU 38 + HB3 ASN 12 OK 12 99 - 12 - 6286/3.5=3, ~6286=2, 5.0/5438=1 HG2 GLU 38 + HB3 ASN 12 OK 12 99 - 12 - 6286/3.5=3, ~6286=2, 5.0/5438=1 HB3 LEU 117 - HB3 ASN 12 lone 8 93 - 8 - 4.0/1880=2, 5144/4.0=2 HG3 GLU 64 - HB3 ASN 12 lone 5 97 - 5 - 6286/3.5=1, 1.8/6285=1, ~6284=1 HG3 GLU 28 - HB3 ASN 12 lone 4 92 - 4 - HG2 GLU 28 - HB3 ASN 12 lone 4 89 - 4 - HB2 PRO 68 - HB3 ASN 12 lone 3 95 - 3 - HG2 GLU 94 - HB3 ASN 12 lone 2 99 - 2 - HG3 GLU 94 - HB3 ASN 12 lone 2 78 - 2 - HB2 CYS 87 - HB3 ASN 12 lone 1 78 - 2 - Peak 8178 from cnoeabs.peaks (1.46, 1.12, 21.17 ppm; 3.71 A): 5 out of 15 assignments used, quality = 0.92: HB2 LEU 93 + QG2 VAL 120 OK 64 99 - 64 - 3.1/8378=14, 1.8/8055=10...(21) HG2 LYS 119 + QG2 VAL 120 OK 51 100 - 51 - 2.9/8032=11, 4.9/8041=7...(14) HG3 LYS 31 + QG2 VAL 120 OK 34 100 - 34 - 1.8/8055=5, 4.0/5296=4...(15) HB3 LEU 58 + QG2 VAL 120 OK 20 63 - 31 - 4.6/7087=5, 3.1/5298=3...(13) HB3 LEU 101 + QG2 VAL 120 OK 19 83 - 23 - 4664/2.1=4, 3.1/5298=4...(8) HG2 LYS 109 - QG2 VAL 120 OK 18 81 - 22 - 1.8/8056=10, 3.0/8057=2...(7) QB ALA 89 - QG2 VAL 120 OK 13 85 - 15 - 7564=6, 3.6/7567=4 HD2 LYS 46 - QG2 VAL 120 OK 12 100 - 12 - 1.8/8056=3, 613/4.0=1 HG3 ARG 57 - QG2 VAL 120 lone 9 99 - 9 - 5.1/8041=3 QB ALA 14 - QG2 VAL 120 lone 9 99 - 9 - 2.1/8060=1 HG LEU 24 - QG2 VAL 120 lone 8 98 - 8 - HD2 LYS 65 - QG2 VAL 120 lone 6 90 - 6 - 3.8/8056=2, 3.8/8056=2 HD3 LYS 65 - QG2 VAL 120 lone 6 90 - 6 - 3.8/8056=2, 3.8/8056=2 HB3 LEU 45 - QG2 VAL 120 lone 5 98 - 5 - HB3 GLU 75 - QG2 VAL 120 lone 3 98 - 3 - Peak 8179 from cnoeabs.peaks (1.47, 1.03, 21.06 ppm; 3.71 A): 4 out of 17 assignments used, quality = 0.97: HG LEU 91 + QG1 VAL 120 OK 64 89 - 72 - 2.1/8370=16, 2.1/8373=13...(17) HB2 LEU 93 + QG1 VAL 120 OK 64 99 - 65 - 1.8/8047=9, 3.1/8049=8...(21) HG2 LYS 119 + QG1 VAL 120 OK 55 96 - 57 - 2.9/8031=10, 4.0/8061=9...(17) HG LEU 93 + QG1 VAL 120 OK 50 83 - 61 - ~8378=11, 2.1/8049=10...(17) HG3 LYS 31 - QG1 VAL 120 OK 32 98 - 33 - 1.8/8047=4, 4.0/5291=4...(15) HB3 LEU 58 - QG1 VAL 120 OK 28 92 - 30 - 3.0/8046=3, 5647/4.0=3...(13) HG2 LYS 109 - QG1 VAL 120 OK 19 99 - 19 - ~8056=7, 8178/2.1=2...(5) HG3 ARG 57 - QG1 VAL 120 OK 10 100 - 10 - 5.1/8069=3, 3.6/7038=1 HD2 LYS 46 - QG1 VAL 120 poor 9 93 - 10 - ~8056=2, 8178/2.1=1, 613/4.0=1 HB3 LEU 114 - QG1 VAL 120 poor 9 63 - 14 - ~7960=3, ~7941=3...(4) QB ALA 14 - QG1 VAL 120 lone 8 99 - 8 - HG LEU 24 - QG1 VAL 120 lone 6 78 - 7 - HB3 LEU 45 - QG1 VAL 120 lone 4 78 - 5 - HB3 GLU 75 - QG1 VAL 120 lone 2 78 - 3 - HD2 LYS 65 - QG1 VAL 120 lone 1 60 - 2 - HD3 LYS 65 - QG1 VAL 120 lone 1 60 - 2 - HG2 ARG 85 - QG1 VAL 120 lone 1 68 - 2 - Peak 8180 from cnoeabs.peaks (7.78, 4.41, 62.70 ppm; 4.41 A): 4 out of 8 assignments used, quality = 0.82: H ILE 124 + HA THR 121 OK 73 100 - 73 - 8110=28, 4.6/1807=17...(8) H ILE 124 + HA SER 113 OK 13 45 - 29 - 8110=9, 4.9/8126=5...(9) H GLY 48 + HA THR 121 OK 12 93 - 13 - 3.6/5302=2, 5369/8118=2...(7) H LEU 45 + HA THR 121 OK 11 100 - 11 - 6837/8125=2, 5341/8123=2...(7) H LEU 45 - HA SER 113 lone 2 45 - 5 - 187/4.9=1, 186/3.6=1 HD21 ASN 106 - HA THR 121 lone 2 65 - 2 - H GLY 48 - HA SER 113 lone 1 38 - 3 - HD21 ASN 106 - HA SER 113 lone 0 24 - 1 - Peak 8181 from cnoeabs.peaks (2.29, 4.22, 60.97 ppm; 4.69 A): 4 out of 16 assignments used, quality = 0.79: HG2 GLN 16 + HA VAL 26 OK 47 96 - 49 - 1.8/8182=16, 6324=9...(11) HG2 GLN 16 + HA SER 13 OK 41 94 - 44 - 1.8/8182=14, 5.0/5949=8...(8) HB VAL 120 + HA VAL 26 OK 21 100 - 21 - 8238/3.2=3, ~8222=3...(9) HG3 GLU 56 + HA VAL 26 OK 14 76 - 18 - 8238/3.2=4, ~8217=3...(6) HB3 PRO 60 - HA VAL 26 poor 10 65 - 15 - 8238/3.2=3, 8239/3.2=2...(5) HG2 GLN 105 - HA VAL 26 lone 8 97 - 8 - HG3 GLN 105 - HA VAL 26 lone 8 97 - 8 - HG2 GLN 105 - HA SER 13 lone 4 96 - 4 - HG3 GLN 105 - HA SER 13 lone 4 95 - 4 - HB2 CYS 87 - HA SER 13 lone 4 72 - 5 - HG3 GLU 56 - HA SER 13 lone 3 74 - 4 - HB2 CYS 87 - HA VAL 26 lone 3 73 - 4 - HB VAL 120 - HA SER 13 lone 3 99 - 3 - HB3 PRO 60 - HA SER 13 lone 2 64 - 3 - HG3 GLU 94 - HA VAL 26 lone 1 73 - 1 - HG3 GLU 94 - HA SER 13 lone 1 72 - 1 - Peak 8182 from cnoeabs.peaks (2.39, 4.22, 60.97 ppm; 4.84 A): 3 out of 8 assignments used, quality = 0.75: HG3 GLN 16 + HA VAL 26 OK 49 100 - 49 - 6325=12, 1.8/8181=11...(11) HG3 GLN 16 + HA SER 13 OK 45 99 - 45 - 6325=11, 1.8/8181=10...(8) HG2 GLU 15 + HA SER 13 OK 11 66 - 16 - 8190/4.9=4, 3.0/5947=2...(7) HG2 GLU 15 - HA VAL 26 lone 5 68 - 7 - 815/5944=1 HB2 GLN 103 - HA VAL 26 lone 2 78 - 3 - HG2 MET 11 - HA VAL 26 lone 2 90 - 2 - HB2 GLN 103 - HA SER 13 lone 2 76 - 2 - HG2 MET 11 - HA SER 13 lone 2 89 - 2 - Peak 8184 from cnoeabs.peaks (0.17, 3.87, 63.11 ppm; 5.13 A): 4 out of 6 assignments used, quality = 0.88: QD1 ILE 34 + HA THR 33 OK 73 94 - 78 - 921/3.6=28, 2.1/6293=13...(15) QD1 ILE 34 + HB2 SER 35 OK 41 91 - 45 - ~6657=21, 3.0/6293=6...(8) QD2 LEU 51 + HA THR 33 OK 16 80 - 20 - 921/3.6=10, ~6618=1...(6) QD1 ILE 34 + HB2 SER 13 OK 13 100 - 13 - 6644/1.8=2, 3.0/6293=2...(6) QD2 LEU 51 - HB2 SER 13 lone 3 89 - 4 - QD2 LEU 51 - HB2 SER 35 lone 3 77 - 4 - Peak 8185 from cnoeabs.peaks (1.62, 3.81, 63.22 ppm; 4.77 A): 5 out of 38 assignments used, quality = 0.96: HG2 PRO 30 + HB2 SER 29 OK 57 99 - 58 - ~6571=26, ~6608=15...(8) HG2 PRO 30 + HB3 SER 29 OK 57 99 - 58 - ~6571=26, ~6608=15...(8) HD2 LYS 32 + HB2 SER 29 OK 40 98 - 41 - ~6572=8, 8243/3.0=5...(16) HD3 LYS 32 + HB2 SER 29 OK 40 98 - 41 - ~6572=8, 8243/3.0=5...(16) HD2 LYS 32 + HB3 SER 29 OK 40 98 - 41 - ~6572=8, 8243/3.0=5...(15) HD3 LYS 32 - HB3 SER 29 OK 40 98 - 41 - ~6572=8, 8243/3.0=5...(15) HB3 LYS 32 - HB2 SER 29 OK 36 83 - 44 - ~6572=12, 2506/3.0=7...(13) HB3 LYS 32 - HB3 SER 29 OK 36 83 - 44 - ~6572=12, 2506/3.0=7...(13) HD3 LYS 31 - HB3 SER 29 OK 21 100 - 21 - 3.0/8706=5, 3.0/8706=5...(4) HD2 LYS 31 - HB3 SER 29 OK 21 100 - 21 - 3.0/8706=5, 3.0/8706=5...(4) HD2 LYS 31 - HB2 SER 29 OK 21 100 - 21 - 3.0/8706=5, 3.0/8706=5...(4) HD3 LYS 31 - HB2 SER 29 OK 21 100 - 21 - 3.0/8706=5, 3.0/8706=5...(4) HD3 LYS 119 - HB3 SER 29 OK 14 78 - 18 - 8243/3.0=2, 3.7/6252=2...(8) HD3 LYS 119 - HB2 SER 29 OK 14 78 - 18 - 8243/3.0=2, 3.7/6252=1...(8) HD2 LYS 119 - HB3 SER 29 OK 14 76 - 18 - 3.7/6252=2, 8243/3.0=1...(8) HD2 LYS 119 - HB2 SER 29 OK 14 76 - 18 - 8243/3.0=1, 3.7/6252=1...(8) HG LEU 51 - HB3 SER 29 OK 13 92 - 14 - 2.1/8186=5, ~8186=4...(4) HG LEU 51 - HB2 SER 29 OK 13 92 - 14 - 2.1/8186=5, ~8186=4...(4) HB3 GLN 42 - HB2 SER 29 OK 13 89 - 15 - 4.0/1592=3, 2387/4.8=2...(8) HB3 GLN 42 - HB3 SER 29 OK 13 89 - 15 - 4.0/1592=3, 2387/4.8=2...(8) HB ILE 34 - HB3 SER 29 OK 13 63 - 21 - 3.2/8186=8, ~8186=6...(5) HB ILE 34 - HB2 SER 29 OK 11 63 - 18 - 3.2/8186=8, ~8186=6...(4) HB3 LEU 126 - HB3 SER 29 poor 9 90 - 10 - 2356/4.8=1, 8243/3.0=1 HB3 LEU 126 - HB2 SER 29 lone 9 90 - 10 - 2356/4.8=1, 8243/3.0=1 HB2 LEU 126 - HB3 SER 29 lone 9 89 - 10 - 8243/3.0=1, 2356/4.8=1 HB2 LEU 126 - HB2 SER 29 lone 9 89 - 10 - 8243/3.0=1, 2356/4.8=1 HG LEU 126 - HB3 SER 29 poor 8 73 - 11 - 2387/4.8=2, 6607/3.0=2...(5) HG LEU 126 - HB2 SER 29 poor 8 73 - 11 - 2387/4.8=2, 6607/3.0=2...(5) HG LEU 101 - HB3 SER 29 lone 6 100 - 6 - 2349/4.8=2, 2356/4.8=1 HG LEU 101 - HB2 SER 29 lone 6 100 - 6 - 2349/4.8=2, 2356/4.8=1 HB2 LEU 59 - HB3 SER 29 lone 5 100 - 5 - HB2 LEU 59 - HB2 SER 29 lone 5 100 - 5 - HG12 ILE 63 - HB2 SER 29 lone 5 89 - 6 - HG12 ILE 63 - HB3 SER 29 lone 5 89 - 6 - HG2 ARG 53 - HB3 SER 29 lone 3 98 - 3 - HG2 ARG 53 - HB2 SER 29 lone 3 98 - 3 - HG3 ARG 85 - HB3 SER 29 lone 1 68 - 2 - HG3 ARG 85 - HB2 SER 29 lone 1 68 - 2 - Peak 8186 from cnoeabs.peaks (0.17, 3.81, 63.22 ppm; 5.15 A): 4 out of 8 assignments used, quality = 0.82: QD1 ILE 34 + HB3 SER 29 OK 46 96 - 48 - 6645/4.8=22, 6597/4.8=16...(6) QD1 ILE 34 + HB2 SER 29 OK 44 96 - 46 - 6645/4.8=22, 6597/4.8=16...(6) QD2 LEU 51 + HB3 SER 29 OK 23 97 - 23 - 6600/4.8=9, 6597/4.8=9 QD2 LEU 51 + HB2 SER 29 OK 23 97 - 23 - 6600/4.8=9, 6597/4.8=9 QG1 VAL 110 - HB3 SER 29 lone 6 57 - 10 - 3.2/8706=4, ~8706=3 QG1 VAL 110 - HB2 SER 29 lone 6 57 - 10 - 3.2/8706=4, ~8706=3 QD2 LEU 84 - HB3 SER 29 lone 3 57 - 6 - 6444/6576=2 QD2 LEU 84 - HB2 SER 29 lone 3 57 - 6 - 6444/6576=2 Peak 8187 from cnoeabs.peaks (1.46, 3.85, 60.09 ppm; 3.95 A): 5 out of 15 assignments used, quality = 0.77: QB ALA 14 + HA GLU 15 OK 54 99 - 54 - 27/3.0=18, ~25=11...(10) HB3 LEU 101 + HA GLU 15 OK 20 83 - 25 - 3.1/6320=5, 1.8/1906=3...(8) HB3 GLU 75 + HA GLU 15 OK 19 98 - 19 - 6321/4.1=3, 1.8/8188=3...(7) HG3 ARG 57 + HA GLU 15 OK 13 99 - 13 - 27/3.0=2, 6318/4.1=2...(5) HG2 LYS 119 + HA GLU 15 OK 11 100 - 11 - 27/3.0=2, 5221=1, 6318/4.1=1 HG LEU 24 - HA GLU 15 lone 8 98 - 8 - 3.0/6319=2, 8398/6319=1 HB2 LEU 93 - HA GLU 15 lone 7 99 - 7 - 27/3.0=1, 6321/4.1=1 HD2 LYS 46 - HA GLU 15 lone 6 100 - 6 - 27/3.0=1 HD3 LYS 65 - HA GLU 15 lone 5 90 - 6 - 2.9/6320=1, 2.9/6320=1 HD2 LYS 65 - HA GLU 15 lone 5 90 - 6 - 2.9/6320=1, 2.9/6320=1 HB3 LEU 45 - HA GLU 15 lone 5 98 - 5 - HB3 LEU 58 - HA GLU 15 lone 5 63 - 7 - 3.1/6320=2, 3.1/6320=2 HG2 LYS 109 - HA GLU 15 lone 4 81 - 5 - HG3 LYS 31 - HA GLU 15 lone 4 100 - 4 - QB ALA 89 - HA GLU 15 lone 3 85 - 3 - Peak 8188 from cnoeabs.peaks (1.79, 3.85, 60.09 ppm; 4.10 A): 5 out of 15 assignments used, quality = 0.80: HB2 PRO 37 + HA GLU 15 OK 60 100 - 60 - 6676=14, 6702/3.0=13...(12) HG3 PRO 30 + HA GLU 15 OK 17 63 - 26 - 2.3/1907=5, 6322/4.1=3...(12) HB2 LYS 32 + HA GLU 15 OK 17 100 - 16 - 3.0/6319=3, 8753=2...(6) HB2 GLU 75 + HA GLU 15 OK 15 90 - 17 - 1.8/8187=4, 6322/4.1=3...(6) HB2 LEU 117 + HA GLU 15 OK 15 87 - 17 - 1.8/1909=2, 6322/4.1=2...(7) HB3 ARG 57 - HA GLU 15 poor 10 81 - 12 - 3.0/8187=2, 1.8/1906=1 HB3 GLU 56 - HA GLU 15 lone 10 100 - 10 - 3.0/1909=1, 6322/4.1=1...(4) HB2 PRO 60 - HA GLU 15 lone 8 96 - 9 - 6702/3.0=2, 6676=1, ~6701=1 HG LEU 117 - HA GLU 15 poor 8 60 - 13 - 3.0/1909=2, 6322/4.1=2...(5) HG2 GLU 75 - HA GLU 15 lone 8 78 - 10 - 3.0/8187=3, ~7315=1...(4) HG13 ILE 63 - HA GLU 15 lone 5 60 - 8 - 5.2/5444=2, 3526/3.6=2 HD3 LYS 109 - HA GLU 15 lone 4 68 - 5 - HD2 LYS 109 - HA GLU 15 lone 3 60 - 5 - HB3 GLN 105 - HA GLU 15 lone 3 65 - 4 - HB3 ARG 92 - HA GLU 15 lone 1 92 - 2 - Peak 8189 from cnoeabs.peaks (2.22, 3.85, 60.09 ppm; 3.42 A): 4 out of 14 assignments used, quality = 0.85: HG3 GLU 15 + HA GLU 15 OK 47 57 - 82 - 4.1=58, 1.8/1923=16...(11) HB3 PRO 37 + HA GLU 15 OK 42 99 - 42 - 1.8/8188=9, 6703=7...(11) HG2 PRO 37 + HA GLU 15 OK 36 85 - 42 - 6700/3.0=8, 2.3/8188=8...(11) HB2 PRO 70 + HA GLU 15 OK 27 76 - 35 - 2.3/5957=6, 1.8/1906=5...(17) HB3 LEU 117 - HA GLU 15 lone 9 96 - 9 - 1.8/8188=2, ~8666=1 HG2 GLU 38 - HA GLU 15 lone 8 85 - 10 - ~809=1, 809/3.0=1 HG3 GLU 38 - HA GLU 15 lone 8 83 - 10 - ~809=1, 809/3.0=1 HG3 GLU 64 - HA GLU 15 lone 4 90 - 4 - HG2 GLU 56 - HA GLU 15 lone 4 71 - 5 - 3.0/8188=1 HG2 GLU 28 - HA GLU 15 lone 3 98 - 3 - HG3 GLU 28 - HA GLU 15 lone 3 97 - 3 - HB VAL 26 - HA GLU 15 lone 2 68 - 3 - HB2 PRO 68 - HA GLU 15 lone 2 95 - 2 - HG2 GLU 94 - HA GLU 15 lone 2 87 - 2 - Peak 8190 from cnoeabs.peaks (4.03, 2.37, 36.48 ppm; 4.91 A): 3 out of 8 assignments used, quality = 0.96: HA GLN 16 + HG2 GLU 15 OK 83 100 - 83 - 3.0/5447=18, 8191/1.8=16...(25) HA ALA 14 + HG2 GLU 15 OK 63 97 - 64 - 3.6/1922=30, 2.1/6318=13...(11) HD3 PRO 37 + HG2 GLU 15 OK 36 96 - 38 - 2.3/8256=10, 3.0/6317=8...(6) HA TYR 102 - HG2 GLU 15 OK 19 92 - 20 - 3.6/1286=3, 2.9/5447=3...(6) HA LYS 109 - HG2 GLU 15 lone 7 81 - 9 - 3.7/6318=1, 8191/1.8=1 HA SER 112 - HG2 GLU 15 lone 5 65 - 7 - 6227/3.0=2 HA PHE 107 - HG2 GLU 15 lone 4 71 - 5 - 26/4.6=2 HA LEU 55 - HG2 GLU 15 lone 3 71 - 4 - Peak 8191 from cnoeabs.peaks (4.03, 2.25, 36.48 ppm; 4.75 A): 3 out of 8 assignments used, quality = 0.95: HA GLN 16 + HG3 GLU 15 OK 80 100 - 80 - 3.0/5448=20, 8190/1.8=14...(20) HA ALA 14 + HG3 GLU 15 OK 59 98 - 61 - 3.6/1928=27, 2.1/6321=12...(9) HD3 PRO 37 + HG3 GLU 15 OK 34 95 - 36 - 3.0/6322=8, ~8256=7...(7) HA TYR 102 - HG3 GLU 15 OK 13 90 - 15 - 8190/1.8=3, 2.9/5448=3...(5) HA LYS 109 - HG3 GLU 15 lone 5 78 - 6 - 8190/1.8=1 HA PHE 107 - HG3 GLU 15 lone 4 73 - 6 - 26/4.6=2 HA SER 112 - HG3 GLU 15 lone 4 63 - 6 - 6227/3.0=2 HA LEU 55 - HG3 GLU 15 lone 3 68 - 4 - Peak 8192 from cnoeabs.peaks (7.37, 2.08, 28.51 ppm; 5.45 A): 2 out of 6 assignments used, quality = 1.00: HE21 GLN 16 + HB2 GLN 16 OK 100 100 - 100 - 4.5=100 HE21 GLN 16 + HB3 GLN 16 OK 100 100 - 100 - 4.5=100 H GLU 75 - HB2 GLN 16 lone 6 76 - 7 - 1972/3.0=1 H GLU 75 - HB3 GLN 16 lone 6 76 - 7 - 1972/3.0=1 H PHE 96 - HB3 GLN 16 lone 3 83 - 4 - H PHE 96 - HB2 GLN 16 lone 3 83 - 4 - Peak 8194 from cnoeabs.peaks (0.65, 1.33, 22.28 ppm; 3.27 A): 3 out of 5 assignments used, quality = 0.64: QD1 LEU 21 + QG2 THR 17 OK 53 99 - 53 - 2.1/6337=19, 6416=18...(10) QD2 LEU 24 + QG2 THR 17 OK 14 92 - 15 - 6463/6337=3, 846/6346=2...(7) QD1 LEU 45 + QG2 THR 17 OK 12 100 - 12 - 2.1/6338=2, 2.1/8283=1 QG2 VAL 26 - QG2 THR 17 poor 9 76 - 12 - 8230/6346=2, 8213/6337=2...(4) QD1 LEU 51 - QG2 THR 17 lone 2 68 - 2 - Peak 8195 from cnoeabs.peaks (0.51, 0.98, 21.91 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.84: QG2 ILE 34 + QG1 VAL 18 OK 79 99 - 80 - 8395/2.1=36, ~8396=19...(12) QG2 ILE 34 + QD2 LEU 58 OK 22 89 - 25 - 3.0/6364=6, ~7065=5...(9) Peak 8196 from cnoeabs.peaks (4.15, 0.98, 21.91 ppm; 4.95 A): 11 out of 24 assignments used, quality = 0.95: HA PRO 37 + QG1 VAL 18 OK 71 99 - 72 - 8392/2.1=17, 8253=15...(14) HA GLU 28 + QD2 LEU 58 OK 21 89 - 23 - 3.0/101=4, ~101=4...(6) HA PRO 37 + QD2 LEU 58 OK 21 90 - 23 - 8253=4, 6673/8195=3...(7) HA GLU 28 + QG1 VAL 18 OK 20 99 - 20 - 8392/2.1=4, ~8405=3...(6) HA GLU 56 + QD2 LEU 58 OK 18 74 - 24 - 7070/4.9=11, 3.6/7031=9...(4) HA PHE 83 + QG1 VAL 18 OK 17 100 - 17 - 8392/2.1=4, 3.7/6349=3...(4) HA ILE 124 + QG1 VAL 18 OK 14 98 - 14 - 8392/2.1=3, ~8401=2 HB2 SER 113 + QD2 LEU 58 OK 13 92 - 14 - 7931=2, 1.8/7936=2...(4) HB2 SER 113 + QG1 VAL 18 OK 12 100 - 12 - 7931=2, 1.8/7936=2, 8392/2.1=2 HA ILE 63 + QG1 VAL 18 OK 12 96 - 12 - 8392/2.1=3, ~8402=1 HA ALA 98 + QG1 VAL 18 OK 10 95 - 11 - 8392/2.1=3, 6203/4.3=2 HA SER 78 - QG1 VAL 18 poor 10 87 - 11 - ~368=4, 8392/2.1=2...(4) HA ILE 63 - QD2 LEU 58 poor 9 85 - 10 - 264/4.8=1 HA ASN 108 - QG1 VAL 18 lone 8 99 - 8 - 8392/2.1=2, 6203/4.3=1 HA ASN 108 - QD2 LEU 58 lone 8 90 - 9 - 6198/4.8=1 HA PHE 83 - QD2 LEU 58 lone 8 92 - 9 - 7070/4.9=1 HA ALA 98 - QD2 LEU 58 lone 8 84 - 9 - HA GLU 56 - QG1 VAL 18 lone 7 85 - 8 - 3.6/7031=3, 8392/2.1=1 HA ILE 124 - QD2 LEU 58 lone 6 89 - 6 - 7070/4.9=1 HB3 SER 78 - QG1 VAL 18 lone 5 76 - 7 - 8392/2.1=2 HA SER 78 - QD2 LEU 58 lone 4 76 - 5 - HB3 SER 78 - QD2 LEU 58 lone 3 65 - 5 - HB3 SER 72 - QG1 VAL 18 lone 2 97 - 2 - HB3 SER 72 - QD2 LEU 58 lone 2 87 - 2 - Peak 8197 from cnoeabs.peaks (1.43, 0.23, 23.90 ppm; 4.82 A): 3 out of 13 assignments used, quality = 0.94: HG LEU 24 + QD2 LEU 21 OK 73 83 - 88 - 2.1/6415=49, 2.1/6463=19...(17) HB3 LEU 101 + QD2 LEU 21 OK 66 98 - 67 - 3.1/2136=9, 4664/3.1=9...(21) HB3 LEU 45 + QD2 LEU 21 OK 40 83 - 48 - 3.1/6511=8, 4.3/6396=8...(15) HB2 LEU 51 - QD2 LEU 21 OK 21 97 - 21 - 4.6/6394=7, 3.0/8424=6...(4) HD2 LYS 46 - QD2 LEU 21 OK 13 63 - 21 - 5.7/6396=6, 2.9/6413=3...(6) HB3 LEU 91 - QD2 LEU 21 OK 13 100 - 13 - 8364/3.1=2 QB ALA 98 - QD2 LEU 21 OK 12 99 - 12 - 7667/6511=2 QB ALA 89 - QD2 LEU 21 OK 11 97 - 11 - 6162/3.7=2 HB3 GLU 75 - QD2 LEU 21 poor 9 83 - 11 - 4.3/6394=4 HG LEU 59 - QD2 LEU 21 poor 8 63 - 13 - 2.1/6411=3, 6405/3.1=1...(4) QB ALA 122 - QD2 LEU 21 lone 5 89 - 5 - HD2 LYS 65 - QD2 LEU 21 lone 4 95 - 4 - HD3 LYS 65 - QD2 LEU 21 lone 4 95 - 4 - Peak 8198 from cnoeabs.peaks (1.01, 0.23, 23.90 ppm; 3.57 A): 7 out of 7 assignments used, quality = 0.95: HB3 LEU 27 + QD2 LEU 21 OK 57 99 - 58 - 3.1/6529=11, 8240=11...(18) QD1 LEU 58 + QD2 LEU 21 OK 43 95 - 45 - 2.1/7068=7, 7066/6415=7...(16) QD2 LEU 58 + QD2 LEU 21 OK 35 81 - 44 - 2.1/7068=7, 7067/6415=6...(16) QD2 LEU 101 + QD2 LEU 21 OK 35 89 - 40 - 4681/2.1=5, 3.1/8197=4...(18) QD1 LEU 101 + QD2 LEU 21 OK 25 60 - 42 - ~2129=4, 3.1/8197=4...(18) QG1 VAL 18 + QD2 LEU 21 OK 22 57 - 39 - ~6417=6, ~6359=6...(14) QG1 VAL 120 + QD2 LEU 21 OK 16 90 - 18 - 2.1/6412=5, 8046/3.1=2...(5) Peak 8199 from cnoeabs.peaks (4.59, 1.32, 21.20 ppm; 4.40 A): 3 out of 4 assignments used, quality = 0.82: HA TRP 20 + QG2 THR 23 OK 69 100 - 69 - 5986/2.1=32, 4.5/6449=18...(10) HA LEU 45 + QG2 THR 23 OK 33 100 - 33 - 5987/2.1=9, 1570/4.0=6...(10) HA GLU 69 + QG2 THR 23 OK 13 93 - 14 - 5987/2.1=3, 1570/4.0=3...(4) HA ASP 47 - QG2 THR 23 lone 8 95 - 9 - 5987/2.1=2, 1570/4.0=1...(4) Peak 8201 from cnoeabs.peaks (10.20, 1.45, 26.50 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.95: HE1 TRP 20 + HG LEU 24 OK 95 97 - 98 - 8202/2.1=47, 6387/2.1=46...(16) Peak 8202 from cnoeabs.peaks (10.20, 0.66, 22.40 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.89: HE1 TRP 20 + QD2 LEU 24 OK 89 97 - 93 - 6387/2.1=35, 6386=28...(18) Peak 8203 from cnoeabs.peaks (10.19, 0.06, 25.16 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.84: HE1 TRP 20 + QD1 LEU 24 OK 84 89 - 95 - 6387=43, 8202/2.1=38...(17) Peak 8204 from cnoeabs.peaks (1.92, 0.06, 25.16 ppm; 5.05 A): 2 out of 18 assignments used, quality = 1.00: HB2 LEU 21 + QD1 LEU 24 OK 96 100 - 96 - 3.1/6415=45, 3.0/6403=41...(27) HG LEU 58 + QD1 LEU 24 OK 93 97 - 97 - 8507=48, 2.1/7066=41...(29) HB3 GLU 73 - QD1 LEU 24 OK 25 97 - 26 - ~8738=4, 3.0/6467=3...(11) HB ILE 22 - QD1 LEU 24 OK 23 96 - 24 - 8200/4.8=5, ~6468=4...(9) HB ILE 80 - QD1 LEU 24 OK 21 100 - 21 - ~8344=4, 6989/6993=3...(9) HB2 GLU 38 - QD1 LEU 24 OK 18 83 - 22 - 3.0/6467=4, 4.4/2229=4...(7) HB3 LYS 119 - QD1 LEU 24 OK 17 78 - 21 - 2.9/8205=3, 2.9/2233=2...(7) HB2 LEU 84 - QD1 LEU 24 OK 16 87 - 18 - 8200/4.8=3, 2111/6415=3...(7) HB3 ARG 85 - QD1 LEU 24 OK 14 68 - 21 - 3.0/2231=3, 5549/4.8=2...(10) HB2 ARG 85 - QD1 LEU 24 OK 14 68 - 21 - 3.0/2231=3, 5549/4.8=2...(10) HB2 LYS 109 - QD1 LEU 24 OK 11 90 - 13 - 3386/7066=2, 4894/8435=2...(4) HB2 ARG 81 - QD1 LEU 24 poor 10 95 - 10 - 4116/7041=2, 8211/8214=1 HB3 GLU 64 - QD1 LEU 24 lone 7 93 - 8 - HB2 GLU 64 - QD1 LEU 24 lone 7 90 - 7 - HB3 PRO 30 - QD1 LEU 24 lone 6 68 - 9 - 5.0/2230=2, 3.0/6467=1 HB3 MET 11 - QD1 LEU 24 lone 6 100 - 6 - HB3 GLU 69 - QD1 LEU 24 lone 5 78 - 6 - HB2 GLU 28 - QD1 LEU 24 lone 4 89 - 4 - Peak 8205 from cnoeabs.peaks (1.31, 0.06, 25.16 ppm; 4.72 A): 4 out of 9 assignments used, quality = 0.96: QG2 THR 23 + QD1 LEU 24 OK 81 99 - 81 - 6455=49, 4.3/865=30...(8) HG LEU 54 + QD1 LEU 24 OK 48 60 - 81 - 2.1/6993=50, 3.7/8730=27...(12) HG3 LYS 46 + QD1 LEU 24 OK 37 85 - 44 - 8206/2.1=6, 8478/4.0=4...(23) HG2 LYS 46 + QD1 LEU 24 OK 37 85 - 44 - 8206/2.1=6, 8478/4.0=4...(23) QG2 THR 17 - QD1 LEU 24 OK 27 85 - 31 - 6337/6415=12, 8194/2.1=7...(9) HG3 LYS 119 - QD1 LEU 24 OK 20 97 - 20 - 8206/2.1=3, 1.8/2233=2...(8) HB3 LEU 84 - QD1 LEU 24 OK 16 100 - 16 - 82/4.8=4, 6413/6415=3...(5) HG CYS 87 - QD1 LEU 24 lone 7 100 - 7 - 4.6/6467=1, 82/4.8=1 QB ALA 43 - QD1 LEU 24 lone 3 73 - 4 - Peak 8206 from cnoeabs.peaks (1.31, 0.66, 22.40 ppm; 4.02 A): 6 out of 8 assignments used, quality = 0.91: QG2 THR 23 + QD2 LEU 24 OK 58 95 - 62 - 6455/2.1=28, 6454=23...(6) HG LEU 54 + QD2 LEU 24 OK 48 76 - 63 - ~6993=28, 2.1/6463=20...(10) HG3 LYS 46 + QD2 LEU 24 OK 25 71 - 35 - 8205/2.1=4, 2.9/2226=3...(15) HG2 LYS 46 + QD2 LEU 24 OK 25 71 - 35 - 8205/2.1=4, 2.9/2226=3...(15) QG2 THR 17 + QD2 LEU 24 OK 16 71 - 23 - 8194=5, 6337/6463=3...(9) HG3 LYS 119 + QD2 LEU 24 OK 13 90 - 14 - 8205/2.1=2, 1.8/2226=2...(5) HB3 LEU 84 - QD2 LEU 24 lone 10 99 - 10 - 82/4.8=2, 8205/2.1=2 HG CYS 87 - QD2 LEU 24 lone 4 98 - 4 - Peak 8207 from cnoeabs.peaks (2.07, 0.66, 22.40 ppm; 5.19 A): 2 out of 16 assignments used, quality = 0.98: HB2 ARG 57 + QD2 LEU 24 OK 87 100 - 87 - ~7041=23, 3.5/6469=21...(28) HG LEU 21 + QD2 LEU 24 OK 84 90 - 93 - ~6415=39, 2.1/6463=24...(21) HB3 GLU 38 - QD2 LEU 24 OK 24 99 - 24 - 4.4/2222=4, ~6467=3...(8) HG3 PRO 37 - QD2 LEU 24 OK 19 89 - 21 - ~6683=3, 2.3/8209=3...(8) HB2 LEU 114 - QD2 LEU 24 OK 16 92 - 17 - 1.8/2224=2, 5066/3.1=1...(6) HG3 PRO 60 - QD2 LEU 24 OK 12 81 - 15 - 2.3/6469=5, 2.3/8209=2...(4) HB2 GLN 105 - QD2 LEU 24 OK 11 97 - 11 - 4.0/2222=3, 4770/4.8=2 HB ILE 63 - QD2 LEU 24 lone 10 100 - 10 - 3.0/8209=1 HB3 ARG 81 - QD2 LEU 24 lone 8 92 - 9 - HB2 GLU 15 - QD2 LEU 24 lone 8 83 - 9 - ~8187=1, ~6319=1 HB2 GLN 16 - QD2 LEU 24 lone 6 96 - 6 - HB3 GLN 16 - QD2 LEU 24 lone 6 95 - 6 - HG2 GLU 64 - QD2 LEU 24 lone 6 100 - 6 - HG3 GLU 69 - QD2 LEU 24 lone 5 73 - 7 - HG3 PRO 70 - QD2 LEU 24 lone 5 68 - 7 - HB2 GLU 56 - QD2 LEU 24 lone 3 65 - 4 - Peak 8208 from cnoeabs.peaks (1.92, 0.66, 22.40 ppm; 4.97 A): 2 out of 18 assignments used, quality = 1.00: HB2 LEU 21 + QD2 LEU 24 OK 96 100 - 97 - ~6415=29, ~6403=27...(29) HG LEU 58 + QD2 LEU 24 OK 92 97 - 95 - 8507/2.1=37, ~7066=30...(28) HB ILE 22 - QD2 LEU 24 OK 29 96 - 30 - 3.9/70=8, 3.0/6468=6...(6) HB3 GLU 73 - QD2 LEU 24 OK 26 97 - 26 - 1.8/8738=5, 2.9/8741=4...(8) HB ILE 80 - QD2 LEU 24 OK 20 100 - 20 - 3.2/8344=6, 8204/2.1=2...(4) HB2 ARG 85 - QD2 LEU 24 OK 17 68 - 25 - 3.9/6469=6, 3.0/2224=3...(10) HB3 ARG 85 - QD2 LEU 24 OK 17 68 - 25 - 3.9/6469=6, 3.0/2224=3...(10) HB2 GLU 38 - QD2 LEU 24 OK 17 83 - 20 - 4.4/2222=3, ~6467=3...(6) HB3 LYS 119 - QD2 LEU 24 OK 16 78 - 20 - 2.9/8206=3, ~8205=2...(7) HB2 LEU 84 - QD2 LEU 24 OK 15 87 - 17 - 8200/4.8=3, 1.8/8206=2...(6) HB2 LYS 109 - QD2 LEU 24 OK 11 90 - 12 - 4.6/6477=2, 1049/6478=1 HB2 ARG 81 - QD2 LEU 24 lone 9 95 - 9 - HB3 GLU 64 - QD2 LEU 24 lone 7 93 - 7 - HB2 GLU 64 - QD2 LEU 24 lone 7 90 - 7 - HB3 PRO 30 - QD2 LEU 24 lone 6 68 - 8 - 5.0/2223=1 HB3 MET 11 - QD2 LEU 24 lone 5 100 - 5 - HB3 GLU 69 - QD2 LEU 24 lone 5 78 - 7 - HB2 GLU 28 - QD2 LEU 24 lone 5 89 - 5 - Peak 8209 from cnoeabs.peaks (1.81, 0.66, 22.40 ppm; 4.94 A): 2 out of 14 assignments used, quality = 0.91: HB3 ARG 57 + QD2 LEU 24 OK 83 100 - 83 - ~7041=21, 3.5/6469=19...(25) HG LEU 41 + QD2 LEU 24 OK 47 78 - 60 - 2.1/6754=15, ~8263=7...(16) HB2 PRO 37 - QD2 LEU 24 OK 18 73 - 24 - 6677/3.1=2, ~6683=2...(11) HB2 LYS 32 - QD2 LEU 24 OK 17 73 - 23 - 4.7/2222=3, 2499/3.1=3...(10) HG2 GLU 73 - QD2 LEU 24 OK 16 63 - 26 - 1.8/8741=4, 2.9/8738=4...(12) HG3 GLU 73 - QD2 LEU 24 OK 16 60 - 26 - 1.8/8741=4, 2.9/8738=4...(12) HB3 ARG 92 - QD2 LEU 24 OK 15 100 - 14 - 3.0/2224=2, 3.0/2224=2...(4) HG2 GLU 75 - QD2 LEU 24 OK 14 100 - 14 - ~3975=2, 3969/2.1=1...(4) HB2 PRO 60 - QD2 LEU 24 OK 14 99 - 14 - 3.0/6469=4, 3458/6469=2 HG13 ILE 63 - QD2 LEU 24 lone 9 97 - 10 - 266/6478=1 HB3 GLN 105 - QD2 LEU 24 lone 9 99 - 9 - 4.0/2222=2, 1.8/8207=1 HG3 ARG 53 - QD2 LEU 24 lone 6 89 - 7 - 8288/2103=1 HB2 GLU 69 - QD2 LEU 24 lone 5 76 - 7 - HB3 GLU 56 - QD2 LEU 24 lone 5 87 - 5 - Peak 8210 from cnoeabs.peaks (1.75, 2.19, 31.17 ppm; 3.94 A): 4 out of 51 assignments used, quality = 0.94: HB2 ARG 53 + HB VAL 26 OK 73 100 - 74 - 6964/2.1=17, 8432=16...(19) HB VAL 66 + HB VAL 49 OK 53 82 - 64 - ~7185=16, ~8494=15...(12) HB2 ARG 53 + HB VAL 49 OK 32 81 - 40 - 8432=8, ~8492=7...(10) HB2 ARG 53 + HB3 PRO 37 OK 31 81 - 38 - 8432=7, 8432/2.3=6...(14) HG LEU 117 - HB VAL 49 OK 25 69 - 37 - ~8493=7, 2.1/3044=4...(15) HB2 LEU 45 - HB VAL 26 OK 21 99 - 21 - 8219/2.1=3, 2890/2.1=3...(8) HG LEU 117 - HB3 PRO 37 OK 16 69 - 23 - 2.1/6501=2, ~5146=2...(11) HB2 GLU 75 - HB3 PRO 37 OK 15 43 - 36 - ~6678=4, ~3962=3...(15) HB2 LEU 117 - HB VAL 49 OK 14 47 - 31 - ~8493=5, 3.1/3044=3...(16) HG LEU 117 - HB VAL 26 OK 12 90 - 14 - ~8227=3, ~8222=3...(5) HB2 LEU 117 - HB3 PRO 37 OK 11 47 - 24 - ~5146=2, 3.1/6501=2...(10) HD2 LYS 109 - HB3 PRO 37 OK 11 69 - 16 - 4931/3.0=2, ~4921=1...(4) HB3 LYS 46 - HB3 PRO 37 poor 10 81 - 12 - 8271/3.0=2, ~8574=2...(5) HD3 LYS 109 - HB3 PRO 37 poor 10 64 - 15 - 4931/3.0=2, ~4921=1...(4) HB VAL 66 - HB VAL 26 lone 10 100 - 10 - 8219/2.1=2, 3666/3.0=1 HB3 LEU 55 - HB VAL 49 poor 9 43 - 21 - ~8492=4, 3.1/3044=2...(8) HG2 ARG 71 - HB VAL 26 lone 8 100 - 8 - 8219/2.1=2, ~8690=1 HG3 ARG 71 - HB VAL 26 lone 8 97 - 8 - 8219/2.1=1, ~8690=1, ~8219=1 HB3 LEU 55 - HB VAL 26 poor 7 60 - 12 - 8219/2.1=3, ~8217=2...(4) HB2 LEU 117 - HB VAL 26 lone 6 65 - 10 - ~8222=2, ~8227=2...(4) HB3 LEU 55 - HB3 PRO 37 poor 6 43 - 14 - ~2670=1, ~2677=1, ~7017=1 HG2 GLN 42 - HB VAL 26 lone 6 95 - 6 - 2849/4.4=2, 8219/2.1=1 HB3 LYS 46 - HB VAL 26 lone 5 100 - 5 - 8219/2.1=1 HB3 ARG 71 - HB VAL 26 lone 5 87 - 5 - 8219/2.1=1 HB2 LEU 91 - HB VAL 26 lone 4 96 - 5 - 8219/2.1=1 HB2 LEU 45 - HB VAL 49 lone 4 79 - 5 - 3.1/8535=1 HG3 PRO 30 - HB VAL 26 lone 4 89 - 4 - HB2 LEU 45 - HB3 PRO 37 lone 4 80 - 5 - HB2 GLU 75 - HB VAL 49 lone 3 43 - 8 - ~8495=2, ~8494=2, ~6903=1 HB2 LYS 31 - HB VAL 26 lone 3 78 - 4 - HD2 LYS 109 - HB VAL 26 lone 3 90 - 3 - HG3 PRO 30 - HB3 PRO 37 lone 3 67 - 5 - 5516/3.9=1 HD3 LYS 109 - HB VAL 26 lone 3 85 - 3 - HB VAL 66 - HB3 PRO 37 lone 3 83 - 3 - HG2 GLN 42 - HB VAL 49 lone 3 73 - 4 - HB3 LYS 46 - HB VAL 49 lone 2 81 - 3 - HB2 LYS 31 - HB3 PRO 37 lone 2 58 - 3 - HG3 PRO 30 - HB VAL 49 lone 2 67 - 3 - HG2 GLN 42 - HB3 PRO 37 lone 2 74 - 2 - HG2 ARG 71 - HB VAL 49 lone 2 82 - 2 - HB2 LEU 91 - HB3 PRO 37 lone 2 75 - 2 - HB2 GLU 75 - HB VAL 26 lone 2 60 - 3 - HB2 LEU 91 - HB VAL 49 lone 1 74 - 2 - HB3 ARG 71 - HB3 PRO 37 lone 1 66 - 2 - HG3 ARG 71 - HB VAL 49 lone 1 77 - 2 - HG2 ARG 71 - HB3 PRO 37 lone 1 82 - 2 - HG3 ARG 71 - HB3 PRO 37 lone 1 77 - 2 - HB3 ARG 71 - HB VAL 49 lone 1 65 - 2 - HB2 LYS 31 - HB VAL 49 lone 1 57 - 2 - HD2 LYS 109 - HB VAL 49 lone 1 69 - 1 - HD3 LYS 109 - HB VAL 49 lone 1 63 - 1 - Peak 8211 from cnoeabs.peaks (1.91, 0.63, 20.28 ppm; 4.46 A): 5 out of 16 assignments used, quality = 0.96: HB2 LEU 21 + QG2 VAL 26 OK 72 97 - 75 - 3.0/8215=20, 3.8/8230=19...(21) HB ILE 80 + QG2 VAL 26 OK 42 99 - 43 - 2.1/7403=11, ~7403=9...(9) HG LEU 58 + QG2 VAL 26 OK 41 89 - 47 - 8507/8214=10, 8506=9...(12) HB ILE 22 + QG2 VAL 26 OK 37 99 - 38 - 3.0/2253=7, 2148/3.2=5...(13) HB3 GLU 73 + QG2 VAL 26 OK 34 100 - 34 - 3.0/6510=5, 1.8/2254=4...(11) HB2 ARG 81 - QG2 VAL 26 OK 22 99 - 23 - ~8220=2, ~8217=2...(9) HB2 GLU 38 - QG2 VAL 26 OK 15 68 - 23 - 3.0/6510=6, ~6506=4...(6) HB2 LEU 84 - QG2 VAL 26 poor 10 96 - 10 - 6514/4.1=1 HB3 MET 11 - QG2 VAL 26 lone 7 100 - 7 - 4.1/8230=3 HB2 GLU 28 - QG2 VAL 26 lone 6 97 - 6 - 6514/4.1=2 HB3 LYS 119 - QG2 VAL 26 lone 5 63 - 8 - 2.9/6503=1 HB2 LYS 109 - QG2 VAL 26 lone 4 78 - 5 - HG LEU 84 - QG2 VAL 26 lone 4 65 - 5 - HB3 GLU 64 - QG2 VAL 26 lone 3 83 - 4 - HB2 GLU 64 - QG2 VAL 26 lone 3 78 - 4 - HB3 GLU 69 - QG2 VAL 26 lone 3 63 - 4 - Peak 8212 from cnoeabs.peaks (1.02, 0.63, 20.28 ppm; 3.87 A): 5 out of 6 assignments used, quality = 0.94: QD2 LEU 101 + QG2 VAL 26 OK 56 99 - 56 - 7710=13, 7710/2.1=13...(13) HB3 LEU 27 + QG2 VAL 26 OK 52 89 - 59 - 6518=12, 4.0/5497=12...(14) HB3 LEU 21 + QG2 VAL 26 OK 44 68 - 64 - 3.0/8215=16, 3.8/8230=14...(18) QD1 LEU 58 + QG2 VAL 26 OK 30 78 - 38 - 2.1/8506=7, 7066/8214=7...(12) QG1 VAL 120 + QG2 VAL 26 OK 24 99 - 24 - 2.1/8227=4, 2.1/8239=3...(10) QG2 THR 33 - QG2 VAL 26 lone 3 63 - 5 - 4.0/8229=2 Peak 8213 from cnoeabs.peaks (0.21, 0.63, 20.28 ppm; 3.11 A): 2 out of 2 assignments used, quality = 0.83: QD1 LEU 54 + QG2 VAL 26 OK 69 100 - 69 - 6984=17, 8223/2.1=14...(21) QD2 LEU 21 + QG2 VAL 26 OK 45 81 - 56 - 3.7/8215=8, 8223/2.1=7...(19) Peak 8214 from cnoeabs.peaks (0.06, 0.63, 20.28 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.82: QD1 LEU 24 + QG2 VAL 26 OK 82 100 - 82 - 8224/2.1=25, 6491/4.0=18...(21) Peak 8215 from cnoeabs.peaks (3.38, 0.63, 20.28 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.84: HA LEU 21 + QG2 VAL 26 OK 65 100 - 65 - 3.0/8230=13, 3.7/8213=10...(19) HA VAL 50 + QG2 VAL 26 OK 54 99 - 54 - 3.2/8227=7, 6915/2.1=6...(23) HA2 GLY 86 - QG2 VAL 26 poor 9 68 - 13 - 6515/4.1=2, 1.8/6510=1 HB3 PHE 40 - QG2 VAL 26 lone 3 60 - 6 - 6508/2.1=1 Peak 8216 from cnoeabs.peaks (1.20, 0.63, 20.28 ppm; 4.32 A): 4 out of 5 assignments used, quality = 0.89: HB3 LEU 24 + QG2 VAL 26 OK 81 92 - 88 - 3.1/8214=33, 8614=20...(21) QG2 VAL 18 + QG2 VAL 26 OK 26 100 - 26 - 8394/4.1=5, 8403/2.1=4...(6) HB2 LEU 77 + QG2 VAL 26 OK 12 95 - 12 - 2232/8214=1, 4.3/8229=1 HB3 LEU 111 + QG2 VAL 26 OK 10 97 - 10 - 7887/4.1=1, 4777/5497=1 HG2 LYS 32 - QG2 VAL 26 lone 7 96 - 7 - 5.0/8229=2 Peak 8217 from cnoeabs.peaks (2.03, 0.61, 21.38 ppm; 4.10 A): 3 out of 7 assignments used, quality = 0.94: HB3 ARG 53 + QG1 VAL 26 OK 85 99 - 86 - 1.8/6964=19, 6965=17...(22) HG3 PRO 37 + QG1 VAL 26 OK 39 81 - 49 - 1.8/2259=9, 2.3/2259=7...(19) HB2 GLU 56 + QG1 VAL 26 OK 36 97 - 38 - 3.7/8232=9, 4.6/7032=7...(9) HG3 PRO 60 - QG1 VAL 26 OK 17 89 - 19 - 2.3/6508=3, 2.3/8238=2...(4) HB2 LEU 55 - QG1 VAL 26 OK 17 57 - 29 - 4.0/8234=9, 4.2/8232=9...(6) HB3 ARG 81 - QG1 VAL 26 OK 14 76 - 19 - 2.9/8220=3, 2.9/8220=3...(6) HG3 PRO 70 - QG1 VAL 26 lone 6 96 - 6 - Peak 8218 from cnoeabs.peaks (1.81, 0.61, 21.38 ppm; 4.01 A): 2 out of 14 assignments used, quality = 0.96: HB3 ARG 57 + QG1 VAL 26 OK 83 100 - 83 - 7036=16, 7036/2.1=12...(26) HG3 ARG 53 + QG1 VAL 26 OK 76 89 - 86 - 3.0/6972=15, 6967=14...(26) HB2 PRO 37 - QG1 VAL 26 OK 39 73 - 53 - 2.3/2259=8, 1.8/2259=7...(24) HB3 GLU 56 - QG1 VAL 26 OK 32 87 - 36 - 3.7/8232=9, 4.6/7032=7...(9) HG13 ILE 63 - QG1 VAL 26 OK 22 97 - 23 - 1.8/8220=2, 8311/3.2=2...(6) HB2 PRO 60 - QG1 VAL 26 OK 21 99 - 22 - 2.3/8217=3, 3.0/6508=2...(4) HG LEU 41 - QG1 VAL 26 OK 21 78 - 27 - 6764/4.1=4, 6752/2.1=3...(8) HG2 GLU 73 - QG1 VAL 26 OK 12 63 - 19 - 4.1/6506=4, 2.9/2259=3...(8) HG3 GLU 73 - QG1 VAL 26 OK 11 60 - 19 - 4.1/6506=4, 2.9/2259=3...(8) HB3 ARG 92 - QG1 VAL 26 lone 9 100 - 9 - 6967=1 HG2 GLU 75 - QG1 VAL 26 lone 6 100 - 6 - HB3 GLN 105 - QG1 VAL 26 lone 6 99 - 6 - HB2 LYS 32 - QG1 VAL 26 lone 4 73 - 5 - 4.7/8234=1 HB2 GLU 69 - QG1 VAL 26 lone 2 76 - 2 - Peak 8219 from cnoeabs.peaks (1.74, 0.61, 21.38 ppm; 4.05 A): 6 out of 15 assignments used, quality = 0.94: HB2 ARG 53 + QG1 VAL 26 OK 86 100 - 86 - 6964=22, 6964/2.1=16...(19) HB2 LEU 45 + QG1 VAL 26 OK 22 95 - 23 - 2890/2.1=3, ~2897=2...(10) HB3 LEU 55 + QG1 VAL 26 OK 21 76 - 28 - 4.0/8234=8, 4.2/8232=8...(5) HG LEU 117 + QG1 VAL 26 OK 13 78 - 17 - 2.1/8222=5, ~8227=3, ~6501=1 HB VAL 66 + QG1 VAL 26 OK 11 99 - 12 - 3.0/2258=1, 3666/3.2=1 HG2 ARG 71 + QG1 VAL 26 OK 10 100 - 10 - ~8690=1, 3.6/2257=1 HG3 ARG 71 - QG1 VAL 26 lone 9 90 - 10 - ~8690=1, 3.6/2257=1 HB2 LEU 91 - QG1 VAL 26 lone 8 99 - 8 - 8362/7710=1 HG2 GLN 42 - QG1 VAL 26 lone 8 85 - 10 - 3.5/5498=2, 2849/4.1=2 HB3 LYS 46 - QG1 VAL 26 lone 8 97 - 8 - HB3 ARG 71 - QG1 VAL 26 lone 7 96 - 7 - HB2 LYS 31 - QG1 VAL 26 lone 6 90 - 7 - HG3 PRO 30 - QG1 VAL 26 lone 5 76 - 6 - HD2 LYS 109 - QG1 VAL 26 lone 4 78 - 5 - HD3 LYS 109 - QG1 VAL 26 lone 3 71 - 4 - Peak 8220 from cnoeabs.peaks (1.57, 0.61, 21.38 ppm; 4.55 A): 5 out of 11 assignments used, quality = 0.95: HG2 ARG 57 + QG1 VAL 26 OK 89 100 - 90 - 2.9/7043=17, 7040/2.1=14...(27) HG3 ARG 81 + QG1 VAL 26 OK 22 100 - 22 - 3.0/6507=4, 2.9/8217=2...(8) HG2 ARG 81 + QG1 VAL 26 OK 22 100 - 22 - 3.0/6507=4, 2.9/8217=2...(8) HG12 ILE 63 + QG1 VAL 26 OK 13 65 - 21 - 1.8/8218=3, ~7146=2...(5) HG LEU 126 + QG1 VAL 26 OK 13 83 - 15 - 7040/2.1=2, 7040=2...(6) HB2 LEU 126 - QG1 VAL 26 poor 8 65 - 12 - 3.0/7040=1, 3.0/2258=1, ~5411=1 HB3 LEU 126 - QG1 VAL 26 poor 8 63 - 12 - 3.0/7040=1, 3.0/2258=1, ~5411=1 HD2 LYS 119 - QG1 VAL 26 lone 7 81 - 8 - 3.0/8221=1, 6.0/8232=1 HD3 LYS 119 - QG1 VAL 26 lone 6 78 - 8 - 3.0/8221=1, 6.0/8232=1 HG12 ILE 124 - QG1 VAL 26 lone 5 76 - 7 - HG3 LYS 109 - QG1 VAL 26 lone 3 68 - 5 - Peak 8221 from cnoeabs.peaks (1.47, 0.61, 21.38 ppm; 4.47 A): 2 out of 17 assignments used, quality = 0.95: HG3 ARG 57 + QG1 VAL 26 OK 85 100 - 86 - 1.8/8220=17, 2.9/7043=16...(24) HG LEU 24 + QG1 VAL 26 OK 65 78 - 83 - 2.1/8224=33, ~8214=27...(17) HB3 LEU 58 - QG1 VAL 26 OK 34 92 - 37 - 8435/8224=6, 3.1/8226=5...(10) HB3 LEU 45 - QG1 VAL 26 OK 21 78 - 27 - 1.8/8219=4, 2897/2.1=3...(11) QB ALA 14 - QG1 VAL 26 OK 15 99 - 15 - 6503/2.1=2, ~5439=2...(4) HG2 LYS 119 - QG1 VAL 26 OK 12 96 - 12 - 4.9/8232=2, 6503/2.1=1...(4) HB2 LEU 93 - QG1 VAL 26 OK 11 99 - 11 - 4.4/8235=2, 6503/2.1=1 HD2 LYS 46 - QG1 VAL 26 lone 9 93 - 9 - 6503/2.1=1, 3.5/8219=1 HB3 GLU 75 - QG1 VAL 26 lone 7 78 - 9 - HG LEU 91 - QG1 VAL 26 lone 7 89 - 8 - 3.0/8219=1 HG3 LYS 31 - QG1 VAL 26 lone 7 98 - 7 - HG2 LYS 109 - QG1 VAL 26 lone 6 99 - 6 - HG LEU 93 - QG1 VAL 26 lone 6 83 - 7 - HG2 ARG 85 - QG1 VAL 26 lone 5 68 - 7 - 5.0/8235=2 HB3 LEU 114 - QG1 VAL 26 lone 3 63 - 5 - HD2 LYS 65 - QG1 VAL 26 lone 3 60 - 4 - HD3 LYS 65 - QG1 VAL 26 lone 3 60 - 4 - Peak 8222 from cnoeabs.peaks (1.13, 0.61, 21.38 ppm; 4.49 A): 4 out of 5 assignments used, quality = 0.94: HB3 LEU 54 + QG1 VAL 26 OK 72 81 - 90 - 3.1/8223=23, 3.0/6506=19...(19) QG2 VAL 50 + QG1 VAL 26 OK 60 100 - 60 - 8227/2.1=13, 6923/2.1=12...(16) QD2 LEU 117 + QG1 VAL 26 OK 30 100 - 30 - 8013/8223=7, 8227/2.1=6...(8) QG2 VAL 120 + QG1 VAL 26 OK 28 96 - 29 - 8227/2.1=5, 2.1/8238=4...(10) QG2 THR 62 - QG1 VAL 26 lone 6 68 - 9 - 6970/6972=2, 2.1/6505=1 Peak 8223 from cnoeabs.peaks (0.20, 0.61, 21.38 ppm; 3.84 A): 2 out of 3 assignments used, quality = 0.87: QD1 LEU 54 + QG1 VAL 26 OK 79 98 - 81 - 8213/2.1=25, 4.0/6506=11...(26) QD2 LEU 21 + QG1 VAL 26 OK 40 63 - 64 - 8213/2.1=17, 3.7/6508=9...(27) QD1 ILE 34 - QG1 VAL 26 lone 4 65 - 6 - ~6681=1 Peak 8224 from cnoeabs.peaks (0.05, 0.61, 21.38 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.91: QD1 LEU 24 + QG1 VAL 26 OK 91 99 - 92 - 8214/2.1=45, 6491/4.0=27...(23) Peak 8225 from cnoeabs.peaks (3.39, 2.19, 31.17 ppm; 4.53 A): 3 out of 9 assignments used, quality = 0.97: HA VAL 50 + HB VAL 26 OK 72 100 - 72 - 8215/2.1=18, 6915=12...(20) HA LEU 21 + HB VAL 26 OK 71 99 - 72 - 8215/2.1=22, ~8230=15...(19) HA VAL 50 + HB VAL 49 OK 68 82 - 83 - 8279/2.1=28, 3.0/216=18...(17) HA LEU 21 - HB VAL 49 OK 23 79 - 29 - 8279/2.1=8, 994/4.4=6...(8) HA VAL 50 - HB3 PRO 37 OK 18 83 - 22 - 6915/2.3=3, 6047/2.3=2...(10) HA2 GLY 86 - HB VAL 26 OK 14 85 - 16 - 8215/2.1=3, 6515/4.4=3...(7) HA2 GLY 86 - HB VAL 49 OK 11 63 - 18 - 8279/2.1=4, 994/4.4=3...(6) HA2 GLY 86 - HB3 PRO 37 poor 8 64 - 12 - ~1697=3, ~6002=2...(4) HA LEU 21 - HB3 PRO 37 lone 7 79 - 9 - 8215/2254=1, 5993/8403=1 Peak 8226 from cnoeabs.peaks (1.00, 0.61, 21.38 ppm; 4.45 A): 4 out of 10 assignments used, quality = 0.96: HB3 LEU 27 + QG1 VAL 26 OK 72 100 - 72 - 6518=18, 4.0/97=16...(15) QD1 LEU 101 + QG1 VAL 26 OK 52 85 - 61 - 2.1/7710=15, ~7710=10...(14) QD1 LEU 58 + QG1 VAL 26 OK 46 100 - 46 - 7066/8224=10...(14) QD2 LEU 58 + QG1 VAL 26 OK 41 97 - 42 - 7067/8224=8, ~8506=6...(13) QD2 LEU 101 - QG1 VAL 26 OK 35 65 - 53 - 7710=10, 7710/2.1=9...(12) QG1 VAL 120 - QG1 VAL 26 OK 20 68 - 30 - 2.1/8222=5, 2.1/8238=4...(10) QG1 VAL 18 - QG1 VAL 26 OK 19 83 - 24 - ~8216=5, 7067/8224=4...(6) QG2 THR 95 - QG1 VAL 26 lone 5 57 - 8 - 2.1/6505=2 HG2 LYS 65 - QG1 VAL 26 lone 3 73 - 4 - HG3 LYS 65 - QG1 VAL 26 lone 3 73 - 4 - Peak 8227 from cnoeabs.peaks (1.14, 0.63, 20.28 ppm; 4.07 A): 4 out of 4 assignments used, quality = 0.95: HB3 LEU 54 + QG2 VAL 26 OK 78 93 - 84 - 3.1/8213=22, 3.0/6995=16...(20) QG2 VAL 50 + QG2 VAL 26 OK 58 99 - 59 - 3.2/8215=14, 6923/2.1=11...(15) QD2 LEU 117 + QG2 VAL 26 OK 26 99 - 26 - 8013/8213=6, 8222/2.1=5...(8) QG2 VAL 120 + QG2 VAL 26 OK 22 85 - 25 - 2.1/8212=4, 8222/2.1=4...(8) Peak 8228 from cnoeabs.peaks (7.81, 0.63, 20.28 ppm; 4.59 A): 3 out of 6 assignments used, quality = 0.91: H GLY 25 + QG2 VAL 26 OK 85 99 - 86 - 90/4.0=22, 6488=21...(15) HD21 ASN 99 + QG2 VAL 26 OK 35 87 - 40 - 7682/2.1=8, 1.7/5497=8...(7) H LEU 45 + QG2 VAL 26 OK 15 76 - 20 - 8233/2.1=3, 970=3...(8) H ASN 79 - QG2 VAL 26 poor 10 60 - 16 - 6540/4.1=3, 90/4.0=3...(5) HD21 ASN 106 - QG2 VAL 26 lone 7 100 - 7 - 8233/2.1=2, 90/4.0=1, 6540/4.1=1 H ILE 124 - QG2 VAL 26 lone 4 65 - 6 - 8233/2.1=1 Peak 8229 from cnoeabs.peaks (8.10, 0.63, 20.28 ppm; 4.51 A): 6 out of 7 assignments used, quality = 0.93: H LEU 24 + QG2 VAL 26 OK 71 98 - 73 - 4.8/8214=24, 3.9/8216=17...(12) H LEU 55 + QG2 VAL 26 OK 48 73 - 65 - 4.6/8231=16, 3.6/6995=16...(12) H GLY 39 + QG2 VAL 26 OK 22 100 - 22 - 3.6/6510=5, 6482/4.0=2...(7) HD22 ASN 79 + QG2 VAL 26 OK 22 97 - 22 - 6482/4.0=3, 7388/3.2=2...(7) H THR 33 + QG2 VAL 26 OK 16 100 - 16 - 6482/4.0=3, 2229/8214=1...(5) H SER 78 + QG2 VAL 26 OK 11 73 - 14 - 4.3/8216=2, 2229/8214=2...(6) H GLN 105 - QG2 VAL 26 lone 8 98 - 8 - 6482/4.0=1 Peak 8230 from cnoeabs.peaks (8.21, 0.63, 20.28 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.63: H LEU 21 + QG2 VAL 26 OK 63 100 - 64 - 3.0/8215=22, 4.7/8213=13...(12) H MET 11 - QG2 VAL 26 lone 9 100 - 9 - 2098/8215=2, 2133/8213=2 H ASP 100 - QG2 VAL 26 lone 8 95 - 8 - 7685/4.0=1, 2098/8215=1 Peak 8231 from cnoeabs.peaks (8.95, 0.63, 20.28 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.90: H LEU 54 + QG2 VAL 26 OK 85 97 - 88 - 8236/2.1=25, 6996=18...(22) H PHE 107 + QG2 VAL 26 OK 35 100 - 35 - 8236/2.1=11, 8422/2.1=5...(13) Peak 8232 from cnoeabs.peaks (7.62, 0.61, 21.38 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.72: H GLU 56 + QG1 VAL 26 OK 49 100 - 49 - 4.6/8234=11, 4.6/7032=11...(11) H ARG 57 + QG1 VAL 26 OK 45 60 - 75 - 3.0/7035=13, 3.7/7036=12...(20) H LYS 119 - QG1 VAL 26 poor 9 68 - 13 - HD21 ASN 12 - QG1 VAL 26 lone 4 99 - 4 - H ALA 122 - QG1 VAL 26 lone 3 60 - 5 - Peak 8233 from cnoeabs.peaks (7.80, 0.61, 21.38 ppm; 5.35 A): 3 out of 5 assignments used, quality = 0.91: H GLY 25 + QG1 VAL 26 OK 82 93 - 88 - 90/4.0=25, 8228/2.1=25...(15) HD21 ASN 99 + QG1 VAL 26 OK 37 73 - 51 - 8228/2.1=10, 6540/4.1=9...(8) H LEU 45 + QG1 VAL 26 OK 16 89 - 18 - 8228/2.1=4, 4.0/8219=4...(5) HD21 ASN 106 - QG1 VAL 26 lone 8 99 - 8 - 8228/2.1=2, 90/4.0=2, 6540/4.1=1 H ILE 124 - QG1 VAL 26 lone 7 81 - 8 - 8228/2.1=1, 7728/7710=1 Peak 8234 from cnoeabs.peaks (8.12, 0.61, 21.38 ppm; 5.66 A): 4 out of 4 assignments used, quality = 0.93: H LEU 55 + QG1 VAL 26 OK 86 100 - 86 - 4.6/8236=24, 3.6/6506=22...(22) HD22 ASN 79 + QG1 VAL 26 OK 31 90 - 34 - 3.5/6505=5, 6482/4.0=4...(13) H GLY 39 + QG1 VAL 26 OK 21 65 - 32 - 3.6/6506=7, 4.6/8235=6...(11) H THR 33 + QG1 VAL 26 OK 16 78 - 20 - 6482/4.0=3, 8229/2.1=2...(5) Peak 8235 from cnoeabs.peaks (8.54, 0.61, 21.38 ppm; 5.09 A): 3 out of 6 assignments used, quality = 0.95: H ARG 53 + QG1 VAL 26 OK 88 100 - 88 - 6963=22, 4.7/8236=20...(25) H GLU 38 + QG1 VAL 26 OK 36 87 - 41 - 3.0/6506=7, 3.9/2259=6...(11) H LEU 41 + QG1 VAL 26 OK 36 100 - 36 - 6758/4.1=7, ~8260=3...(13) H GLY 86 - QG1 VAL 26 OK 17 81 - 21 - ~8215=2, 3.0/6506=1...(8) H GLU 94 - QG1 VAL 26 OK 16 100 - 16 - 4.4/8221=1, 235/8236=1 H LEU 77 - QG1 VAL 26 lone 6 60 - 9 - Peak 8236 from cnoeabs.peaks (8.96, 0.61, 21.38 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.87: H LEU 54 + QG1 VAL 26 OK 80 89 - 90 - 8231/2.1=26, 3.0/6506=18...(23) H PHE 107 + QG1 VAL 26 OK 34 100 - 34 - 8231/2.1=11, 8422/2.1=5...(13) Peak 8237 from cnoeabs.peaks (8.95, 0.57, 21.11 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.65: H LEU 54 + QG1 VAL 50 OK 48 100 - 48 - 6049/3.2=18, 1020/2.1=11...(9) H PHE 107 + QG1 VAL 50 OK 22 99 - 22 - 6049/3.2=9, 1510/4.0=5...(4) H LEU 54 + QD2 LEU 45 OK 13 77 - 17 - 6051/8426=3, 4.8/6511=3...(6) H PHE 107 - QD2 LEU 45 lone 5 75 - 6 - 8.2/6917=2 Peak 8238 from cnoeabs.peaks (2.30, 0.61, 21.38 ppm; 5.60 A): 5 out of 7 assignments used, quality = 0.95: HB2 LEU 54 + QG1 VAL 26 OK 65 68 - 95 - 3.1/8223=30, 4.0/8236=27...(19) HG2 GLN 16 + QG1 VAL 26 OK 47 100 - 47 - ~8182=13, 8181/3.2=10...(10) HG3 GLU 56 + QG1 VAL 26 OK 42 97 - 43 - 4.9/8232=13, 3.0/8217=8...(11) HB VAL 120 + QG1 VAL 26 OK 35 99 - 35 - 2.1/8222=7, 8239/2.1=6...(8) HB3 PRO 60 + QG1 VAL 26 OK 30 92 - 33 - 8239/2.1=5, 3.0/6508=4...(11) HG2 GLN 105 - QG1 VAL 26 poor 8 78 - 10 - 8181/3.2=2, ~8181=1, 8239/2.1=1 HG3 GLN 105 - QG1 VAL 26 poor 8 76 - 10 - 8181/3.2=2, ~8181=1, 8239/2.1=1 Peak 8239 from cnoeabs.peaks (2.31, 0.63, 20.28 ppm; 4.97 A): 4 out of 9 assignments used, quality = 0.93: HB2 LEU 54 + QG2 VAL 26 OK 78 85 - 92 - 3.1/8213=28, 4.0/8231=22...(19) HG2 GLN 16 + QG2 VAL 26 OK 41 99 - 41 - ~8182=10, 6324/3.2=7...(11) HG3 GLU 56 + QG2 VAL 26 OK 29 100 - 29 - 8238/2.1=5, ~8217=5...(10) HB VAL 120 + QG2 VAL 26 OK 28 93 - 30 - 2.1/8212=6, 2.1/8227=5...(8) HB3 PRO 60 - QG2 VAL 26 OK 26 99 - 27 - 8238/2.1=4, ~8217=2...(11) HG2 GLN 105 - QG2 VAL 26 lone 6 60 - 10 - ~8181=1, 8181/3.2=1...(4) HG3 GLN 105 - QG2 VAL 26 lone 6 57 - 10 - ~8181=1, 8181/3.2=1...(4) HB2 GLU 82 - QG2 VAL 26 lone 2 63 - 4 - HB3 GLU 82 - QG2 VAL 26 lone 2 63 - 4 - Peak 8240 from cnoeabs.peaks (0.23, 1.01, 47.11 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 21 + HB3 LEU 27 OK 82 99 - 83 - 6529/3.1=23, 6513/4.0=18...(21) QD1 LEU 54 + HB3 LEU 27 OK 47 97 - 48 - 6529/3.1=13, 6513/4.0=12...(13) Peak 8241 from cnoeabs.peaks (0.56, 1.01, 47.11 ppm; 4.44 A): 4 out of 4 assignments used, quality = 0.96: QG1 VAL 50 + HB3 LEU 27 OK 68 100 - 68 - 6528/3.1=11, 6921=10...(16) QD2 LEU 45 + HB3 LEU 27 OK 59 97 - 61 - 6528/3.1=10, 6560/3.0=10...(16) HG12 ILE 34 + HB3 LEU 27 OK 47 93 - 50 - 6560/3.0=9, 6528/3.1=8...(14) QD2 LEU 77 + HB3 LEU 27 OK 45 99 - 46 - 7345/1.8=9, 6528/3.1=7...(10) Peak 8242 from cnoeabs.peaks (0.56, 1.40, 47.11 ppm; 4.84 A): 4 out of 4 assignments used, quality = 0.97: QG1 VAL 50 + HB2 LEU 27 OK 70 100 - 70 - 8241/1.8=14, 6528/3.1=12...(14) QD2 LEU 45 + HB2 LEU 27 OK 60 97 - 62 - 8241/1.8=12, 6528/3.1=11...(14) QD2 LEU 77 + HB2 LEU 27 OK 54 99 - 55 - 8241/1.8=9, 7345=8...(13) HG12 ILE 34 + HB2 LEU 27 OK 52 93 - 56 - 6560/3.0=10, 8241/1.8=9...(15) Peak 8243 from cnoeabs.peaks (1.61, 4.43, 56.13 ppm; 4.32 A): 4 out of 17 assignments used, quality = 0.93: HG2 PRO 30 + HA SER 29 OK 68 100 - 68 - 2.3/6571=43, 2.3/6608=24...(8) HD2 LYS 32 + HA SER 29 OK 45 100 - 46 - 3.5/6572=13, 3.5/2506=6...(13) HD3 LYS 32 + HA SER 29 OK 45 100 - 46 - 3.5/6572=13, 3.5/2506=6...(13) HB3 LYS 32 + HA SER 29 OK 30 60 - 50 - 1.8/6572=17, 3.0/2516=6...(16) HD3 LYS 119 - HA SER 29 OK 13 95 - 14 - 3.7/8244=2, 2356/3.8=1...(6) HD2 LYS 119 - HA SER 29 OK 13 93 - 14 - 3.7/8244=2, 2356/3.8=1...(6) HG LEU 126 - HA SER 29 OK 12 92 - 13 - 2387/3.8=3, 6607=3...(4) HD3 LYS 31 - HA SER 29 OK 11 97 - 12 - ~8706=2, 3.4/8244=1, 2363/4.8=1 HD2 LYS 31 - HA SER 29 OK 11 97 - 12 - ~8706=2, 3.4/8244=1, 2363/4.8=1 HB3 LEU 126 - HA SER 29 lone 10 99 - 9 - 3.0/6607=2, 3.1/6573=2...(4) HB2 LEU 126 - HA SER 29 lone 9 99 - 9 - 3.0/6607=2, 3.1/6573=2...(4) HB3 GLN 42 - HA SER 29 poor 9 68 - 13 - 2387/3.8=3, 1.8/6573=2...(5) HG LEU 101 - HA SER 29 lone 7 98 - 7 - 2363/4.8=2, 2349/3.8=2 HG LEU 51 - HA SER 29 lone 7 73 - 9 - ~8186=2, 2356/3.8=2...(4) HG12 ILE 63 - HA SER 29 lone 6 99 - 6 - 1.8/6572=1 HB2 LEU 59 - HA SER 29 lone 5 93 - 5 - HG2 ARG 53 - HA SER 29 lone 3 100 - 3 - Peak 8244 from cnoeabs.peaks (1.87, 4.43, 56.13 ppm; 4.77 A): 2 out of 11 assignments used, quality = 0.96: HB3 GLU 28 + HA SER 29 OK 87 100 - 87 - 5507/2.9=36, ~5506=26...(19) HG12 ILE 22 + HA SER 29 OK 68 78 - 87 - 2.1/6437=33, 3.2/6433=27...(17) HB2 LYS 119 - HA SER 29 OK 15 93 - 16 - 6252/3.0=2, 6252/3.0=2...(6) HB3 LYS 31 - HA SER 29 OK 11 93 - 12 - 4.7/902=5, 108/2.9=1...(4) HB2 ARG 92 - HA SER 29 lone 9 100 - 9 - 1.8/6572=3, ~7592=1, 108/2.9=1 HG LEU 55 - HA SER 29 lone 9 95 - 9 - 108/2.9=2, 2.1/6573=2...(4) HG3 PRO 68 - HA SER 29 lone 8 100 - 8 - 108/2.9=3, ~110=2, ~109=2 HB2 LEU 58 - HA SER 29 lone 5 100 - 5 - 108/2.9=1 HG LEU 84 - HA SER 29 lone 5 89 - 5 - 108/2.9=2, ~107=1 HB3 LYS 109 - HA SER 29 lone 3 100 - 3 - HB VAL 50 - HA SER 29 lone 2 93 - 2 - Peak 8245 from cnoeabs.peaks (1.43, 4.50, 62.52 ppm; 4.29 A): 5 out of 13 assignments used, quality = 0.82: HB3 LEU 91 + HA PRO 30 OK 48 100 - 48 - 4387=9, 1.8/4380=8...(14) HB3 LEU 101 + HA PRO 30 OK 40 98 - 41 - 4659=5, 3.1/4673=5...(14) HB2 LEU 51 + HA PRO 30 OK 20 97 - 21 - ~6604=5, ~6603=5...(8) HB3 LEU 45 + HA PRO 30 OK 15 83 - 19 - 1.8/2364=2, 2895/2.3=2...(6) HB3 GLU 75 + HA PRO 30 OK 15 83 - 18 - 1.8/7319=5, 4.0/6581=4...(5) HG LEU 24 - HA PRO 30 lone 5 83 - 6 - 4627/4631=1, 5.3/81=1 QB ALA 89 - HA PRO 30 lone 4 97 - 4 - QB ALA 98 - HA PRO 30 lone 4 99 - 4 - HD2 LYS 46 - HA PRO 30 lone 3 63 - 5 - HD2 LYS 65 - HA PRO 30 lone 3 95 - 3 - HD3 LYS 65 - HA PRO 30 lone 3 95 - 3 - HG LEU 59 - HA PRO 30 lone 2 63 - 4 - QB ALA 122 - HA PRO 30 lone 2 89 - 2 - Peak 8246 from cnoeabs.peaks (0.55, 1.76, 26.76 ppm; 5.15 A): 2 out of 16 assignments used, quality = 0.98: HG12 ILE 34 + HG3 PRO 30 OK 95 100 - 96 - ~6645=25, 8248/1.8=23...(21) QD2 LEU 45 + HG3 ARG 71 OK 45 70 - 65 - ~6032=7, 2.1/2900=6...(31) QD2 LEU 45 - HG3 PRO 30 OK 42 99 - 42 - 8248/1.8=8, 2.1/2900=3...(23) QD2 LEU 45 - HG2 ARG 71 OK 34 53 - 65 - ~6032=7, ~6848=6...(32) QG1 VAL 50 - HG LEU 117 OK 21 51 - 42 - ~3056=6, ~3051=6...(14) HG12 ILE 34 - HG3 ARG 71 OK 16 72 - 23 - 2.1/6601=3, 6653=2...(9) HG12 ILE 34 - HG LEU 117 OK 14 69 - 20 - 2.1/6601=3, ~8013=2...(9) HG12 ILE 34 - HG2 ARG 71 OK 12 55 - 22 - 2.1/6649=3, ~6601=2...(8) QD2 LEU 45 - HG LEU 117 OK 12 66 - 17 - ~8269=2, 2.1/2900=1...(4) QG1 VAL 50 - HG3 PRO 30 lone 8 83 - 10 - QD2 LEU 77 - HG3 PRO 30 lone 6 68 - 9 - 4.7/5516=2 QG1 VAL 50 - HG3 ARG 71 lone 4 54 - 7 - QD2 LEU 77 - HG3 ARG 71 lone 4 43 - 8 - 7342/5.0=1 QG1 VAL 50 - HG2 ARG 71 lone 3 40 - 7 - QD2 LEU 77 - HG2 ARG 71 lone 2 31 - 8 - 7342/5.0=1 QD2 LEU 77 - HG LEU 117 lone 2 40 - 6 - ~8012=1 Peak 8247 from cnoeabs.peaks (1.03, 1.76, 26.76 ppm; 4.41 A): 7 out of 24 assignments used, quality = 0.92: HG13 ILE 34 + HG3 PRO 30 OK 53 60 - 88 - ~6645=18, ~6647=15...(18) QG1 VAL 120 + HG LEU 117 OK 43 69 - 63 - 8068=11, 5294/2.1=10...(15) QD2 LEU 101 + HG3 PRO 30 OK 37 100 - 37 - 8034/2.3=6, 8249/1.8=5...(15) QD2 LEU 101 + HG3 ARG 71 OK 24 73 - 33 - ~7703=3, 4680/4.0=3...(12) QD2 LEU 101 + HG2 ARG 71 OK 18 56 - 32 - ~7703=3, 4680/4.0=3...(12) QG1 VAL 120 + HG3 PRO 30 OK 15 100 - 16 - 8068=3, 8034/2.3=3...(5) HB3 LEU 27 + HG LEU 117 OK 14 38 - 35 - ~6526=6, ~8014=4...(16) HB3 LEU 21 - HG3 PRO 30 poor 10 90 - 11 - 8249/1.8=2, 8034/2.3=1 HB3 LEU 21 - HG LEU 117 poor 9 57 - 16 - ~8013=4, ~6412=4...(6) QG2 THR 33 - HG3 PRO 30 lone 8 87 - 10 - 4.0/130=2, 8249/1.8=2, ~6616=1 QD2 LEU 101 - HG LEU 117 lone 6 69 - 9 - HG13 ILE 34 - HG3 ARG 71 poor 6 37 - 16 - 2.1/6601=2, 1.8/6653=2...(5) HB3 LEU 27 - HG3 PRO 30 lone 5 65 - 8 - ~6598=1, ~6595=1 HG13 ILE 34 - HG LEU 117 poor 5 35 - 14 - 2.1/6649=2, ~8013=2...(6) HG13 ILE 34 - HG2 ARG 71 poor 4 27 - 16 - 2.1/6649=2, ~6601=2...(8) QG1 VAL 120 - HG3 ARG 71 lone 3 73 - 4 - QG1 VAL 120 - HG2 ARG 71 lone 2 55 - 4 - HB3 LEU 21 - HG3 ARG 71 lone 1 60 - 2 - HB3 LEU 27 - HG3 ARG 71 lone 1 41 - 3 - QG2 THR 33 - HG LEU 117 lone 1 54 - 2 - HB3 LEU 21 - HG2 ARG 71 lone 1 45 - 2 - HB3 LEU 27 - HG2 ARG 71 lone 1 30 - 3 - QG2 THR 33 - HG3 ARG 71 lone 1 57 - 1 - QG2 THR 33 - HG2 ARG 71 lone 0 43 - 1 - Peak 8248 from cnoeabs.peaks (0.53, 1.61, 26.76 ppm; 4.99 A): 3 out of 6 assignments used, quality = 0.91: HG12 ILE 34 + HG2 PRO 30 OK 85 90 - 94 - ~6645=23, ~8489=20...(20) QD2 LEU 45 + HG2 PRO 30 OK 29 83 - 35 - 8246/1.8=4, ~2900=2...(20) QD2 LEU 45 + HB3 GLN 42 OK 16 32 - 50 - ~6786=11, ~6032=8...(16) HG12 ILE 34 - HB3 GLN 42 poor 6 36 - 15 - 6653/3.0=2, ~6649=2...(6) HG12 ILE 34 - HG LEU 126 lone 2 59 - 3 - QD2 LEU 45 - HG LEU 126 lone 1 52 - 2 - Peak 8249 from cnoeabs.peaks (1.05, 1.61, 26.76 ppm; 4.86 A): 2 out of 15 assignments used, quality = 0.93: HG13 ILE 34 + HG2 PRO 30 OK 89 95 - 94 - 8489/2.3=24, 1.8/8248=23...(19) QD2 LEU 101 + HG2 PRO 30 OK 40 87 - 47 - 8034/2.3=6, 8247/1.8=5...(19) QD2 LEU 101 - HB3 GLN 42 OK 20 34 - 57 - ~6787=9, ~7703=8...(22) QG2 THR 33 - HG2 PRO 30 OK 14 100 - 14 - 4.0/134=3, 6618=2...(6) HB3 LEU 21 - HG2 PRO 30 OK 13 100 - 13 - 8034/2.3=1, 8247/1.8=1, ~6420=1 QG1 VAL 120 - HG2 PRO 30 OK 13 85 - 15 - 8034/2.3=3, ~8035=3...(5) HG13 ILE 34 - HB3 GLN 42 poor 6 39 - 16 - 1.8/8248=2, 6654/3.0=2...(6) HB3 LEU 21 - HB3 GLN 42 poor 6 45 - 13 - ~6786=3, 6404/1.8=2...(6) HB3 LEU 21 - HG LEU 126 lone 5 72 - 7 - QD2 LEU 101 - HG LEU 126 lone 4 56 - 7 - QG2 THR 33 - HB3 GLN 42 lone 3 45 - 8 - 6618=1, 2.1/6616=1 HG13 ILE 34 - HG LEU 126 lone 2 63 - 3 - QG2 THR 33 - HG LEU 126 lone 1 71 - 2 - QG1 VAL 120 - HG LEU 126 lone 1 54 - 2 - QG1 VAL 120 - HB3 GLN 42 lone 1 33 - 3 - Peak 8250 from cnoeabs.peaks (2.97, 4.08, 56.62 ppm; 5.52 A): 2 out of 6 assignments used, quality = 1.00: HE3 LYS 31 + HA LYS 31 OK 93 100 - 93 - 6.4=63, 3.8/2399=23...(19) HE2 LYS 31 + HA LYS 31 OK 93 100 - 93 - 6.4=63, 3.8/2399=23...(19) HA VAL 110 - HA LYS 31 OK 25 96 - 26 - 2424/3.0=5, 2434/4.0=4...(11) HB2 ASN 12 - HA LYS 31 OK 14 95 - 15 - 4.6/2395=2, 5437/2.9=2...(6) HB3 TYR 102 - HA LYS 31 poor 10 65 - 15 - 4.0/2395=2, ~4737=2...(6) HG3 GLU 82 - HA LYS 31 lone 2 76 - 3 - Peak 8251 from cnoeabs.peaks (0.96, 0.50, 17.36 ppm; 3.99 A): 3 out of 9 assignments used, quality = 0.66: QG1 VAL 18 + QG2 ILE 34 OK 53 76 - 70 - 2.1/8395=29, 8195=19...(11) QD1 LEU 101 + QG2 ILE 34 OK 18 73 - 25 - 8154/3.2=4, 6651/3.0=4...(7) QD1 LEU 41 + QG2 ILE 34 OK 11 57 - 19 - 8267/8395=2, 3.1/2603=2...(6) QG2 THR 95 - QG2 ILE 34 poor 10 95 - 10 - 2.1/2602=2, 6651/3.0=1 QD1 ILE 63 - QG2 ILE 34 lone 7 81 - 9 - 4.2/6642=1, 3.2/6636=1 QG2 ILE 124 - QG2 ILE 34 lone 5 100 - 5 - 3.2/6642=1 HG2 LYS 65 - QG2 ILE 34 lone 5 85 - 5 - 4.9/6623=1 HG3 LYS 65 - QG2 ILE 34 lone 5 85 - 5 - 4.9/6623=1 QD1 LEU 55 - QG2 ILE 34 lone 2 65 - 3 - Peak 8253 from cnoeabs.peaks (0.98, 4.14, 65.35 ppm; 5.33 A): 8 out of 9 assignments used, quality = 0.93: QG1 VAL 18 + HA PRO 37 OK 74 99 - 75 - 2.1/8392=19...(14) QD1 LEU 101 + HA PRO 37 OK 31 99 - 31 - 4.9/1734=4, 2.1/7717=4...(9) QD2 LEU 58 + HA PRO 37 OK 20 90 - 22 - 8195/6673=4, 8196=3...(8) HG3 LYS 65 + HA PRO 37 OK 14 100 - 14 - 4.9/7172=2, 2.9/6671=2...(4) HG2 LYS 65 + HA PRO 37 OK 14 100 - 14 - 4.9/7172=2, 2.9/6671=2...(4) QG2 ILE 124 + HA PRO 37 OK 12 83 - 14 - 2.1/5342=2, 3.2/5370=1...(5) QD1 LEU 58 + HA PRO 37 OK 12 73 - 16 - 2.1/8196=3, 4.9/7070=3...(5) QG2 THR 95 + HA PRO 37 OK 12 100 - 11 - 8251/6673=1, 4.1/7641=1 HB3 LEU 27 - HA PRO 37 poor 9 60 - 16 - 4.3/5997=6, 6651/6674=2...(4) Peak 8254 from cnoeabs.peaks (2.35, 2.21, 31.19 ppm; 4.24 A): 4 out of 27 assignments used, quality = 0.93: HB VAL 18 + HB3 PRO 37 OK 68 100 - 68 - 2.1/8403=14, 8255/1.8=10...(15) HG2 PRO 70 + HB3 PRO 37 OK 50 99 - 50 - 8256/2.3=8, 8255/1.8=8...(25) HB2 LEU 54 + HB VAL 26 OK 40 54 - 75 - ~8213=13, ~8223=12...(15) HG2 GLU 15 + HB3 PRO 37 OK 30 95 - 32 - 8256/2.3=7, 6317/1.8=7...(6) HG2 PRO 70 - HB VAL 49 OK 22 48 - 45 - ~7264=10, 8280/2.1=7...(12) HB VAL 18 - HB VAL 26 OK 11 82 - 13 - ~8216=4, 2.1/8403=3...(4) HB2 LEU 54 - HB3 PRO 37 poor 8 73 - 11 - 4.0/8389=3, 3.1/8480=1 HB3 GLU 82 - HB3 PRO 37 lone 7 92 - 8 - 8255/1.8=1 HB2 GLU 82 - HB3 PRO 37 lone 7 92 - 8 - 8255/1.8=1 HB2 LEU 54 - HB VAL 49 poor 6 30 - 21 - ~8493=4, ~6985=3...(8) HB3 ASN 118 - HB3 PRO 37 lone 6 100 - 6 - 4.0/599=1 HB VAL 18 - HB VAL 49 poor 6 49 - 11 - 6360/2.1=3, 8280/2.1=2...(5) HB2 GLN 103 - HB3 PRO 37 lone 5 89 - 6 - ~7772=1, 8256/2.3=1 HG2 PRO 70 - HB VAL 26 lone 3 81 - 3 - HG2 GLU 15 - HB VAL 26 lone 2 74 - 3 - HB2 GLU 82 - HB VAL 49 lone 2 41 - 4 - 8280/2.1=1 HB3 GLU 82 - HB VAL 49 lone 2 41 - 4 - 8280/2.1=1 HG2 MET 11 - HB3 PRO 37 lone 2 76 - 2 - HB3 GLU 82 - HB VAL 26 lone 1 71 - 1 - HB2 GLU 82 - HB VAL 26 lone 1 71 - 1 - HB3 ASN 118 - HB VAL 26 lone 1 82 - 1 - HG2 GLU 15 - HB VAL 49 lone 1 43 - 2 - HB3 ASN 118 - HB VAL 49 lone 1 49 - 2 - HG2 MET 11 - HB VAL 49 lone 1 31 - 2 - HG2 MET 11 - HB VAL 26 lone 1 56 - 1 - HB2 GLN 103 - HB VAL 26 lone 1 67 - 1 - HB2 GLN 103 - HB VAL 49 lone 0 39 - 1 - Peak 8255 from cnoeabs.peaks (2.36, 1.79, 31.19 ppm; 3.95 A): 6 out of 18 assignments used, quality = 0.93: HB VAL 18 + HB2 PRO 37 OK 61 100 - 61 - 2.1/6677=11, 8256/2.3=9...(15) HG2 PRO 70 + HB2 PRO 37 OK 46 97 - 48 - 8256/2.3=7, 8254/1.8=6...(22) HG2 GLU 15 + HB2 PRO 37 OK 40 98 - 41 - 4.6/6702=9, 4.1/8188=7...(9) HG2 PRO 70 + HB2 PRO 60 OK 32 56 - 58 - ~3814=4, ~3821=4...(32) HB2 LEU 54 + HB2 PRO 60 OK 12 31 - 38 - ~3193=5, ~6055=4...(13) HB3 ASN 118 + HB2 PRO 60 OK 10 59 - 18 - 5185/3.0=5, ~5179=3...(7) HB2 GLU 82 - HB2 PRO 37 lone 6 85 - 7 - HB3 GLU 82 - HB2 PRO 37 lone 6 85 - 7 - HB3 ASN 118 - HB2 PRO 37 lone 5 99 - 5 - 4.0/598=1 HB2 GLN 103 - HB2 PRO 37 lone 5 95 - 5 - ~7772=1, 8256/2.3=1 HB2 LEU 54 - HB2 PRO 37 lone 5 63 - 8 - ~8480=1, 3.1/6988=1 HB3 GLU 82 - HB2 PRO 60 lone 4 45 - 10 - HB2 GLU 82 - HB2 PRO 60 lone 4 45 - 10 - HG2 GLU 15 - HB2 PRO 60 lone 4 57 - 7 - 4.6/6702=1, 4.1/8188=1 HB VAL 18 - HB2 PRO 60 lone 4 60 - 6 - 2.1/6677=1 HB2 GLN 103 - HB2 PRO 60 lone 2 53 - 3 - HG2 MET 11 - HB2 PRO 37 lone 2 85 - 2 - HG2 MET 11 - HB2 PRO 60 lone 2 45 - 3 - Peak 8256 from cnoeabs.peaks (2.37, 2.20, 27.36 ppm; 4.39 A): 3 out of 9 assignments used, quality = 0.85: HB VAL 18 + HG2 PRO 37 OK 56 98 - 57 - 2.1/8403=13, 8255/2.3=9...(13) HG2 PRO 70 + HG2 PRO 37 OK 44 87 - 51 - 8255/2.3=7, 8254/2.3=6...(23) HG2 GLU 15 + HG2 PRO 37 OK 41 100 - 41 - 4.6/6700=13, 6317/2.3=7...(7) HG3 GLN 16 - HG2 PRO 37 poor 8 57 - 13 - 4.0/2691=2, ~1959=2, 1967/2.3=2 HB2 GLN 103 - HG2 PRO 37 lone 6 100 - 6 - ~7772=2 HB3 GLU 82 - HG2 PRO 37 lone 4 65 - 7 - HB2 GLU 82 - HG2 PRO 37 lone 4 65 - 7 - HB3 ASN 118 - HG2 PRO 37 lone 4 93 - 4 - HG2 MET 11 - HG2 PRO 37 lone 2 97 - 2 - Peak 8257 from cnoeabs.peaks (1.20, 2.21, 31.19 ppm; 4.13 A): 4 out of 15 assignments used, quality = 0.92: QG2 VAL 18 + HB3 PRO 37 OK 70 99 - 71 - 8403=17, 6677/1.8=13...(15) HB3 LEU 24 + HB VAL 26 OK 42 60 - 71 - 8216/2.1=20, ~8214=18...(13) HB2 LEU 77 + HB3 PRO 37 OK 40 99 - 41 - 6672/2.3=7, 6677/1.8=7...(12) HG2 LYS 32 + HB3 PRO 37 OK 24 87 - 28 - 6677/1.8=7, 6672/2.3=5...(8) HB3 LEU 111 - HB3 PRO 37 OK 22 90 - 24 - 6672/2.3=5, 6677/1.8=4...(7) QG2 VAL 18 - HB VAL 26 OK 16 79 - 20 - 8216/2.1=6, 8403=4...(5) HB3 LEU 24 - HB3 PRO 37 OK 16 81 - 20 - 6677/1.8=3, 6683/2.3=3...(8) HB2 LEU 77 - HB VAL 26 lone 6 80 - 8 - 8216/2.1=3 QG2 VAL 18 - HB VAL 49 poor 6 47 - 12 - 8403=2, ~6360=2...(5) HB3 LEU 111 - HB VAL 26 lone 4 69 - 6 - 8216/2.1=2, 7887/4.4=1 HG2 LYS 32 - HB VAL 26 lone 2 66 - 4 - 8216/2.1=2 HB2 LEU 77 - HB VAL 49 lone 2 48 - 5 - ~8494=1 HB3 LEU 111 - HB VAL 49 lone 2 40 - 5 - HB3 LEU 24 - HB VAL 49 lone 2 34 - 5 - HG2 LYS 32 - HB VAL 49 lone 1 38 - 1 - Peak 8258 from cnoeabs.peaks (7.13, 3.64, 57.53 ppm; 5.11 A): 3 out of 4 assignments used, quality = 0.95: QD PHE 40 + HA LEU 41 OK 79 99 - 80 - 167/3.0=20, ~164=17...(17) QD PHE 83 + HA LEU 41 OK 50 93 - 54 - 2.5/6128=14, 2.5/6130=13...(10) HE ARG 53 + HA LEU 41 OK 48 98 - 49 - 6769/4.1=12, 167/3.0=10...(9) HE ARG 92 - HA LEU 41 poor 10 81 - 12 - 167/3.0=2, 6765/4.3=2 Peak 8259 from cnoeabs.peaks (7.20, 3.64, 57.53 ppm; 5.10 A): 6 out of 6 assignments used, quality = 0.92: QD PHE 107 + HA LEU 41 OK 76 97 - 78 - 4766/3.6=17, ~6762=15...(18) QE PHE 40 + HA LEU 41 OK 35 78 - 45 - 2.2/8258=16, ~167=13...(8) QD TYR 67 + HA LEU 41 OK 23 100 - 23 - 8588/3.6=6, 8294/3.0=3...(6) HE ARG 81 + HA LEU 41 OK 13 90 - 14 - 8588/3.6=6, 8294/3.0=2 H LYS 65 + HA LEU 41 OK 10 90 - 11 - 8588/3.6=2, 4.6/6023=1 QD TYR 102 + HA LEU 41 OK 10 71 - 14 - 3.7/7746=4, 6350/8391=1 Peak 8260 from cnoeabs.peaks (0.65, 3.64, 57.53 ppm; 4.44 A): 5 out of 5 assignments used, quality = 0.88: QD1 LEU 45 + HA LEU 41 OK 58 100 - 58 - 6754/4.1=14, 8261/3.0=10...(17) QD2 LEU 24 + HA LEU 41 OK 37 93 - 40 - 6754/4.1=10, 3.1/6748=6...(9) QD1 LEU 21 + HA LEU 41 OK 34 100 - 34 - 6754/4.1=9, 8261/3.0=5...(8) QG2 VAL 26 + HA LEU 41 OK 18 73 - 25 - 4.1/6761=4, 6750/3.0=4...(8) QD1 LEU 51 + HA LEU 41 OK 13 65 - 20 - 6750/3.0=3, 8261/3.0=3...(7) Peak 8261 from cnoeabs.peaks (0.65, 1.98, 41.64 ppm; 4.53 A): 3 out of 10 assignments used, quality = 0.93: QD1 LEU 45 + HB2 LEU 41 OK 78 100 - 78 - 6754/3.1=16, 6752/3.0=12...(24) QD2 LEU 24 + HB2 LEU 41 OK 47 87 - 55 - 6754/3.1=12, 8260/3.0=8...(15) QD1 LEU 21 + HB2 LEU 41 OK 41 98 - 41 - 6754/3.1=10, 8260/3.0=7...(11) QG2 VAL 26 - HB2 LEU 41 OK 26 83 - 32 - 4.1/6759=6, 6750/1.8=5...(9) QD1 LEU 51 - HB2 LEU 41 OK 21 76 - 28 - 6750/1.8=4, 6752/3.0=3...(9) QD1 LEU 21 - HB2 LEU 55 OK 10 61 - 17 - ~6411=4, ~7008=4...(5) QG2 VAL 26 - HB2 LEU 55 poor 10 47 - 21 - 7006/4.0=8, ~8219=3...(5) QD1 LEU 45 - HB2 LEU 55 lone 6 64 - 10 - QD1 LEU 51 - HB2 LEU 55 poor 4 42 - 11 - 7006/4.0=5, ~7011=1, ~6929=1 QD2 LEU 24 - HB2 LEU 55 lone 3 50 - 5 - Peak 8263 from cnoeabs.peaks (1.45, 0.89, 24.43 ppm; 3.33 A): 5 out of 16 assignments used, quality = 0.80: HB3 LEU 45 + QD2 LEU 41 OK 43 100 - 43 - 3.1/6754=11, 3.0/8269=7...(15) HG LEU 24 + QD2 LEU 41 OK 36 100 - 36 - 2.1/6754=11, 3.0/8266=6...(13) QB ALA 14 + QD2 LEU 41 OK 22 83 - 27 - 2.1/6755=11, 6304=4...(6) HD2 LYS 46 + QD2 LEU 41 OK 21 95 - 23 - 8264/2.1=3, 5.2/2806=3...(7) HB3 LEU 101 + QD2 LEU 41 OK 11 99 - 11 - 4.0/6767=3, 8264/2.1=1 HB3 GLU 75 - QD2 LEU 41 lone 7 100 - 7 - HG3 ARG 57 - QD2 LEU 41 lone 7 78 - 9 - HB2 LEU 51 - QD2 LEU 41 lone 7 71 - 9 - 3.0/2808=1 HB2 LEU 93 - QD2 LEU 41 lone 7 83 - 8 - 4.4/2805=2, 5802/4.3=1 HD2 LYS 65 - QD2 LEU 41 lone 4 100 - 4 - HD3 LYS 65 - QD2 LEU 41 lone 4 100 - 4 - QB ALA 89 - QD2 LEU 41 lone 3 100 - 3 - HG2 LYS 119 - QD2 LEU 41 lone 3 92 - 3 - QB ALA 98 - QD2 LEU 41 lone 2 78 - 3 - HB3 LEU 91 - QD2 LEU 41 lone 2 90 - 2 - HG3 LYS 31 - QD2 LEU 41 lone 2 87 - 2 - Peak 8264 from cnoeabs.peaks (1.45, 0.93, 24.55 ppm; 3.43 A): 7 out of 32 assignments used, quality = 0.87: HB3 LEU 45 + QD1 LEU 41 OK 41 100 - 42 - 8263/2.1=8, ~6754=6...(15) HG LEU 24 + QD1 LEU 41 OK 34 100 - 34 - 8263/2.1=7, ~6754=6...(13) HD2 LYS 46 + QD1 LEU 41 OK 28 98 - 29 - 8263/2.1=4, 2.9/8265=4...(11) QB ALA 14 + QD1 LEU 41 OK 25 90 - 28 - ~6755=7, 2.1/6297=6...(6) HB3 LEU 45 + QD1 LEU 27 OK 22 70 - 32 - 6840/3.1=4, ~6527=3...(14) HB3 LEU 101 + QD1 LEU 27 OK 11 65 - 17 - 4664/3.1=2, ~8445=2...(5) HB2 LEU 93 + QD1 LEU 27 OK 10 57 - 18 - ~2299=2, ~2285=1...(7) HB3 LEU 101 - QD1 LEU 41 lone 10 97 - 10 - 4.0/8413=2, 8263/2.1=2 QB ALA 14 - QD1 LEU 27 poor 9 57 - 15 - 2.1/6297=3, 6304=2...(6) HB2 LEU 93 - QD1 LEU 41 lone 8 90 - 9 - 4.4/2812=1, 5802/4.3=1 HB3 GLU 75 - QD1 LEU 41 lone 8 100 - 8 - 8263/2.1=1 HG3 ARG 57 - QD1 LEU 41 lone 8 87 - 9 - 8263/2.1=1 HB2 LEU 51 - QD1 LEU 27 poor 7 35 - 21 - ~6517=2, ~6518=2...(11) HG LEU 24 - QD1 LEU 27 lone 7 70 - 10 - ~6527=3, ~6561=2 HB2 LEU 51 - QD1 LEU 41 poor 6 60 - 11 - 8263/2.1=1, ~6752=1 HB3 LEU 91 - QD1 LEU 27 lone 5 51 - 10 - 8364/3.1=1 QB ALA 89 - QD1 LEU 41 lone 4 98 - 4 - 2.9/8412=1 HD3 LYS 65 - QD1 LEU 41 lone 4 99 - 4 - HD2 LYS 65 - QD1 LEU 41 lone 4 99 - 4 - HG2 LYS 119 - QD1 LEU 41 lone 4 97 - 4 - HD2 LYS 46 - QD1 LEU 27 lone 4 66 - 6 - HG3 LYS 31 - QD1 LEU 27 lone 3 60 - 5 - HG2 LYS 119 - QD1 LEU 27 lone 3 64 - 4 - HB3 LEU 91 - QD1 LEU 41 lone 3 83 - 3 - HG3 ARG 57 - QD1 LEU 27 lone 2 54 - 4 - QB ALA 89 - QD1 LEU 27 lone 2 66 - 3 - HG3 LYS 31 - QD1 LEU 41 lone 2 93 - 2 - HB3 GLU 75 - QD1 LEU 27 lone 2 70 - 3 - QB ALA 98 - QD1 LEU 41 lone 2 68 - 3 - QB ALA 98 - QD1 LEU 27 lone 2 40 - 5 - HD3 LYS 65 - QD1 LEU 27 lone 2 68 - 3 - HD2 LYS 65 - QD1 LEU 27 lone 2 68 - 3 - Peak 8265 from cnoeabs.peaks (1.34, 0.93, 24.55 ppm; 3.10 A): 6 out of 18 assignments used, quality = 0.80: QG2 THR 17 + QD1 LEU 41 OK 36 97 - 37 - 2.1/6757=6, ~6756=5...(12) QB ALA 43 + QD1 LEU 41 OK 32 100 - 32 - 6817/4.9=6, 6816/4.3=4...(14) HG2 LYS 46 + QD1 LEU 41 OK 22 97 - 23 - 3.9/2813=3, 2.9/8264=2...(10) HG3 LYS 46 + QD1 LEU 41 OK 22 97 - 23 - 3.9/2813=3, 2.9/8264=2...(10) HB3 LEU 59 + QD1 LEU 27 OK 14 67 - 21 - 3407/3.1=3, ~8619=2...(7) QG2 THR 17 + QD1 LEU 27 OK 13 65 - 20 - 6335/2.1=3, 6335=3...(8) HB3 LEU 59 - QD1 LEU 41 lone 9 99 - 9 - 3409/2.1=2 QB ALA 43 - QD1 LEU 27 poor 8 69 - 11 - 2.9/177=1, 6806/2.1=1, 6806=1 QG2 THR 23 - QD1 LEU 27 lone 5 48 - 10 - 3.2/6453=2, 4.0/75=2, ~6453=1 HG2 LYS 46 - QD1 LEU 27 lone 3 65 - 5 - HG3 LYS 46 - QD1 LEU 27 lone 3 65 - 5 - QG2 THR 23 - QD1 LEU 41 lone 3 78 - 4 - HG3 LYS 119 - QD1 LEU 41 lone 3 85 - 3 - HB3 LEU 84 - QD1 LEU 27 lone 2 35 - 7 - HB3 LEU 84 - QD1 LEU 41 lone 2 60 - 4 - HG CYS 87 - QD1 LEU 41 lone 2 68 - 3 - HG3 LYS 119 - QD1 LEU 27 lone 2 53 - 3 - HG CYS 87 - QD1 LEU 27 lone 1 40 - 2 - Peak 8266 from cnoeabs.peaks (1.21, 0.89, 24.43 ppm; 3.03 A): 6 out of 6 assignments used, quality = 0.87: QG2 VAL 18 + QD2 LEU 41 OK 60 100 - 60 - 3.2/6753=9, 4.0/8728=8...(15) HB3 LEU 24 + QD2 LEU 41 OK 32 97 - 33 - 3.1/6754=7, 3.0/8263=4...(12) HB3 LEU 111 + QD2 LEU 41 OK 25 100 - 25 - 8267/2.1=3, 6751/2.1=3...(12) HB2 LEU 77 + QD2 LEU 41 OK 19 87 - 22 - 8267/2.1=3, 6751/2.1=3...(8) HG LEU 77 + QD2 LEU 41 OK 10 71 - 15 - ~6751=2, 7344/2.1=2...(6) HG2 LYS 32 + QD2 LEU 41 OK 10 99 - 10 - 6751/2.1=1, 6749/3.1=1...(4) Peak 8267 from cnoeabs.peaks (1.19, 0.93, 24.55 ppm; 2.98 A): 6 out of 10 assignments used, quality = 0.81: QG2 VAL 18 + QD1 LEU 41 OK 50 95 - 53 - 8266/2.1=9, 8397=9...(14) QG2 VAL 18 + QD1 LEU 27 OK 21 61 - 35 - 8397=6, 8397/2.1=4...(13) HB2 LEU 77 + QD1 LEU 41 OK 21 100 - 21 - 6751/2.1=3, 8266/2.1=3...(9) HB3 LEU 24 + QD1 LEU 41 OK 18 68 - 27 - 8266/2.1=5, 6751/2.1=3...(11) HB3 LEU 111 + QD1 LEU 41 OK 18 81 - 22 - 8266/2.1=4, 6751/2.1=3...(11) HB2 LEU 77 + QD1 LEU 27 OK 11 70 - 16 - ~6528=2, ~6560=1...(6) HB3 LEU 111 - QD1 LEU 27 poor 7 49 - 14 - 1.8/7914=1, ~2299=1, ~7914=1 HG2 LYS 32 - QD1 LEU 41 lone 7 76 - 8 - 8266/2.1=2, 6751/2.1=1 HB3 LEU 24 - QD1 LEU 27 lone 3 40 - 8 - 4.6/6483=1, ~6527=1 HG2 LYS 32 - QD1 LEU 27 lone 1 46 - 3 - Peak 8268 from cnoeabs.peaks (3.13, 1.76, 33.51 ppm; 5.52 A): 2 out of 18 assignments used, quality = 0.69: HB2 PHE 107 + HG2 GLN 42 OK 49 78 - 63 - 4.4/6777=16, ~6780=15...(10) HD3 ARG 81 + HG2 GLN 42 OK 40 100 - 40 - ~2852=6, ~6780=6...(11) HB3 ASP 100 - HG2 GLN 42 poor 10 89 - 11 - 4.3/6777=7 HB3 CYS 52 - HG2 GLN 42 lone 7 89 - 7 - 4.4/1011=1, 6951/3.0=1 HD3 ARG 57 - HB3 LYS 46 lone 6 68 - 9 - HB2 PHE 107 - HB3 LYS 46 lone 5 49 - 10 - 4.4/6777=3, 2.4/4803=2 HB3 CYS 76 - HB3 LYS 46 lone 5 54 - 9 - 4750/4822=2, 7334/4.0=2 HD3 ARG 57 - HG2 GLN 42 lone 4 98 - 4 - HB3 CYS 52 - HB3 LYS 46 lone 4 57 - 7 - 4.4/1011=1, ~6059=1 HD3 ARG 81 - HB3 LYS 46 lone 4 71 - 5 - HB3 CYS 76 - HG2 GLN 42 lone 4 85 - 4 - HD2 ARG 92 - HB3 LYS 46 lone 4 60 - 6 - HD3 ARG 92 - HB3 LYS 46 lone 4 59 - 6 - HB3 ASP 100 - HB3 LYS 46 lone 3 57 - 5 - 4.3/6777=2 HD2 ARG 92 - HG2 GLN 42 lone 2 92 - 2 - HD3 ARG 92 - HG2 GLN 42 lone 2 90 - 2 - HB2 HIS 10 - HG2 GLN 42 lone 1 85 - 2 - HB2 HIS 10 - HB3 LYS 46 lone 1 54 - 2 - Peak 8269 from cnoeabs.peaks (0.89, 1.97, 25.89 ppm; 4.26 A): 4 out of 10 assignments used, quality = 0.90: QD2 LEU 41 + HG LEU 45 OK 72 100 - 72 - 6754/2.1=20, 2.1/8270=11...(23) QD1 ILE 124 + HG LEU 45 OK 36 99 - 36 - 3.2/8270=6, 4.7/2898=6...(13) HB2 GLN 42 + HG LEU 45 OK 32 73 - 44 - ~6786=8, ~6032=6...(16) HG13 ILE 80 + HG LEU 45 OK 18 73 - 25 - ~8344=9, ~7419=7...(5) QD1 LEU 117 - HG LEU 45 lone 8 90 - 9 - 2.1/2900=1 QG1 VAL 49 - HG LEU 45 lone 6 97 - 6 - QD2 LEU 59 - HG LEU 45 lone 3 97 - 3 - QD1 LEU 126 - HG LEU 45 lone 3 92 - 3 - QG2 VAL 49 - HG LEU 45 lone 3 65 - 4 - QD2 LEU 126 - HG LEU 45 lone 3 81 - 3 - Peak 8270 from cnoeabs.peaks (0.95, 1.97, 25.89 ppm; 4.03 A): 6 out of 11 assignments used, quality = 0.87: QD1 LEU 41 + HG LEU 45 OK 51 81 - 63 - 2.1/8269=13, ~6754=12...(20) QG2 ILE 124 + HG LEU 45 OK 35 100 - 35 - 4.0/2898=6, 3.2/8269=5...(13) QD1 LEU 27 + HG LEU 45 OK 30 65 - 46 - ~6527=7, ~6528=7...(14) QD2 LEU 27 + HG LEU 45 OK 26 57 - 45 - 6527/2.1=6, 6528/2.1=6...(14) HG3 LYS 65 + HG LEU 45 OK 11 63 - 17 - ~6839=2, ~6840=2...(5) HG2 LYS 65 + HG LEU 45 OK 11 63 - 17 - ~6839=2, ~6840=2...(5) QD1 LEU 55 - HG LEU 45 lone 4 87 - 5 - QD1 ILE 63 - HG LEU 45 lone 3 96 - 4 - QG2 THR 95 - HG LEU 45 lone 3 78 - 4 - QG2 VAL 115 - HG LEU 45 lone 2 60 - 4 - QG2 ILE 22 - HG LEU 45 lone 1 60 - 2 - Peak 8271 from cnoeabs.peaks (4.05, 1.75, 33.20 ppm; 5.04 A): 3 out of 16 assignments used, quality = 0.97: HA SER 44 + HB3 LYS 46 OK 70 89 - 79 - 6819/4.0=16, 3.6/6856=12...(19) HA LYS 109 + HB3 LYS 46 OK 69 100 - 70 - 8272/1.8=8, 4885/3.5=8...(24) HA TYR 102 + HB3 LYS 46 OK 66 100 - 66 - 7746/3.0=18, 7737/2.9=14...(10) HD3 PRO 37 - HB3 LYS 46 OK 30 99 - 30 - 6694/4.7=6, 8574/3.5=4...(11) HA LEU 55 - HB3 LYS 46 OK 27 99 - 27 - 8272/1.8=4, 6861/3.0=3...(10) HA LYS 109 - HG2 GLN 42 OK 26 71 - 37 - ~5571=6, 6205/5.2=5...(12) HA SER 112 - HG2 GLN 42 OK 23 68 - 34 - ~2851=7, 7919/3.0=6...(9) HA SER 44 - HG2 GLN 42 OK 19 57 - 32 - 2.9/6822=6, ~6823=6...(8) HA SER 112 - HB3 LYS 46 OK 17 99 - 17 - 8272/1.8=2, 6861/3.0=2...(6) HA ALA 14 - HB3 LYS 46 OK 15 60 - 26 - ~6306=4, 8574/3.5=4...(10) HA TYR 102 - HG2 GLN 42 poor 7 71 - 11 - ~503=1 HA GLN 16 - HB3 LYS 46 lone 7 87 - 8 - 6861/3.0=1, 8574/3.5=1 HA LEU 55 - HG2 GLN 42 lone 5 70 - 7 - HD3 PRO 37 - HG2 GLN 42 lone 4 69 - 5 - HA ALA 14 - HG2 GLN 42 lone 3 36 - 9 - ~6304=2, 6297/3.0=2, ~6299=1 HA GLN 16 - HG2 GLN 42 lone 2 56 - 3 - Peak 8272 from cnoeabs.peaks (4.05, 2.00, 33.20 ppm; 4.96 A): 3 out of 16 assignments used, quality = 0.97: HA TYR 102 + HB2 LYS 46 OK 70 100 - 70 - 7746/3.0=18, 7737/2.9=14...(12) HA LYS 109 + HB2 LYS 46 OK 70 99 - 71 - 8574/3.5=8, 4885/3.5=8...(28) HA SER 44 + HB2 LYS 46 OK 62 81 - 77 - 6819/4.0=14, 3.6/6855=12...(19) HA LEU 55 - HB2 LYS 46 OK 31 97 - 32 - 3221=3, 6861/3.0=3...(12) HD3 PRO 37 - HB2 LYS 46 OK 30 100 - 30 - 6694/4.7=6, 8574/3.5=5...(11) HA SER 112 - HB2 LYS 46 OK 19 96 - 20 - 6861/3.0=2, 8574/3.5=2...(9) HA ALA 14 - HB2 LYS 46 OK 19 71 - 26 - 8574/3.5=4, ~6306=4...(10) HA TYR 102 - HB2 MET 11 OK 13 95 - 14 - 3.6/1287=4, 7747=2, ~1731=2 HA GLN 16 - HB2 LYS 46 lone 8 93 - 8 - 8574/3.5=1, 6861/3.0=1 HA LEU 55 - HB2 MET 11 lone 8 90 - 8 - 6999/4.2=2 HA LYS 109 - HB2 MET 11 lone 7 93 - 7 - HA GLN 16 - HB2 MET 11 lone 6 85 - 6 - 1939/3.0=1 HA SER 44 - HB2 MET 11 lone 5 72 - 7 - 3.6/6855=1, 2.9/5584=1 HD3 PRO 37 - HB2 MET 11 lone 4 95 - 4 - HA SER 112 - HB2 MET 11 lone 3 88 - 4 - HA ALA 14 - HB2 MET 11 lone 2 63 - 3 - Peak 8273 from cnoeabs.peaks (4.05, 1.33, 24.73 ppm; 3.82 A): 6 out of 21 assignments used, quality = 0.99: HA TYR 102 + HG2 LYS 46 OK 56 100 - 57 - 7737=16, 7737/1.8=13...(10) HA TYR 102 + HG3 LYS 46 OK 56 100 - 57 - 7737=16, 7737/1.8=13...(10) HA LYS 109 + HG3 LYS 46 OK 48 100 - 48 - 4885/2.9=6, 8574/2.9=5...(26) HA LYS 109 + HG2 LYS 46 OK 48 100 - 48 - 4885/2.9=6, 8574/2.9=5...(26) HA SER 44 + HG3 LYS 46 OK 47 90 - 52 - 6826=7, 6819/5.1=7...(16) HA SER 44 + HG2 LYS 46 OK 47 90 - 52 - 6826=7, 6819/5.1=7...(16) HA LYS 109 - HG3 LYS 119 OK 26 90 - 29 - 6210/4.9=3, 4883/2.9=3...(11) HD3 PRO 37 - HG2 LYS 46 OK 17 99 - 18 - 6694/3.9=4, 8574/2.9=3...(6) HD3 PRO 37 - HG3 LYS 46 OK 17 99 - 18 - 6694/3.9=4, 8574/2.9=3...(6) HA TYR 102 - HG3 LYS 119 OK 17 89 - 20 - 7737=5, 7748/3.0=4...(4) HA LEU 55 - HG3 LYS 46 OK 17 100 - 17 - 3221/2.9=2, 6861/3.9=2...(5) HA LEU 55 - HG2 LYS 46 OK 17 100 - 17 - 3221/2.9=2, 6861/3.9=2...(5) HA LEU 55 - HG3 LYS 119 OK 12 89 - 14 - 6077/4.9=3, 3223/2.9=2 HA SER 112 - HG2 LYS 46 OK 12 99 - 12 - 8272/2.9=1, 6861/3.9=1 HA SER 112 - HG3 LYS 46 OK 12 99 - 12 - 8272/2.9=1, 6861/3.9=1 HA SER 112 - HG3 LYS 119 lone 6 88 - 7 - 5886/4.9=2 HA GLN 16 - HG2 LYS 46 lone 5 85 - 6 - 3.6/821=1 HA GLN 16 - HG3 LYS 46 lone 5 85 - 6 - 3.6/821=1 HD3 PRO 37 - HG3 LYS 119 lone 4 87 - 4 - HA SER 44 - HG3 LYS 119 lone 3 77 - 4 - HA GLN 16 - HG3 LYS 119 lone 2 71 - 3 - Peak 8274 from cnoeabs.peaks (4.04, 2.54, 41.63 ppm; 4.90 A): 3 out of 16 assignments used, quality = 0.91: HA TYR 102 + HE3 LYS 46 OK 70 99 - 71 - 7745=17, 3.7/4741=15...(13) HA LYS 109 + HE3 LYS 46 OK 51 93 - 55 - 8574/3.0=9, 4885/3.0=8...(20) HD3 PRO 37 + HE3 LYS 46 OK 42 100 - 42 - 6694=11, 1.8/6697=7...(15) HA SER 44 - HE3 LYS 46 OK 18 60 - 30 - 6819/7.5=5, 6861/6.1=5...(8) HA ALA 14 - HE3 LYS 46 OK 17 89 - 19 - 8574/3.0=4, 6295/3.9=3...(9) HA LEU 55 - HE3 LYS 46 OK 15 87 - 17 - 8574/3.0=3, 8272/4.7=2...(6) HA TYR 102 - HE2 LYS 65 OK 13 66 - 19 - 7745=3, 7739/3.8=2...(7) HD3 PRO 37 - HE2 LYS 65 OK 12 68 - 17 - 6694=4, 1.8/6697=3...(6) HA SER 112 - HE3 LYS 46 poor 10 83 - 12 - 8574/3.0=2, 8272/4.7=1 HA LYS 109 - HE2 LYS 65 poor 9 60 - 16 - 4885/5.0=3, 4885/5.0=3...(5) HA GLN 16 - HE3 LYS 46 lone 7 99 - 7 - 8574/3.0=1 HA ALA 14 - HE2 LYS 65 lone 2 55 - 4 - HA SER 44 - HE2 LYS 65 lone 2 35 - 5 - HA LEU 55 - HE2 LYS 65 lone 2 54 - 3 - HA SER 112 - HE2 LYS 65 lone 1 51 - 3 - HA GLN 16 - HE2 LYS 65 lone 1 68 - 2 - Peak 8275 from cnoeabs.peaks (3.92, 1.33, 24.73 ppm; 4.91 A): 6 out of 39 assignments used, quality = 1.00: HA ALA 43 + HG2 LYS 46 OK 88 100 - 88 - 6803/2.9=18, 6805/2.9=15...(26) HA ALA 43 + HG3 LYS 46 OK 88 100 - 88 - 6803/2.9=18, 6805/2.9=15...(26) HD3 PRO 68 + HG3 LYS 46 OK 54 100 - 54 - 6867/2.9=6, 6866/2.9=6...(23) HD3 PRO 68 + HG2 LYS 46 OK 54 100 - 54 - 6867/2.9=6, 6866/2.9=6...(23) HD2 PRO 68 + HG3 LYS 46 OK 54 100 - 54 - 6867/2.9=6, 6866/2.9=6...(23) HD2 PRO 68 + HG2 LYS 46 OK 54 100 - 54 - 6867/2.9=6, 6866/2.9=6...(23) HA THR 23 - HG3 LYS 46 OK 35 89 - 39 - 3.6/82=4, 6866/2.9=4...(13) HA THR 23 - HG2 LYS 46 OK 35 89 - 39 - 3.6/82=4, 6866/2.9=4...(13) HB THR 62 - HG3 LYS 119 OK 19 90 - 21 - ~8032=4, 2.1/7116=4...(8) HB THR 62 - HG3 LYS 46 OK 18 100 - 18 - 2.1/7116=3, ~7116=3...(7) HB THR 62 - HG2 LYS 46 OK 18 100 - 18 - 2.1/7116=3, ~7116=3...(7) HA ARG 85 - HG3 LYS 46 OK 13 93 - 14 - 6866/2.9=1, 3.0/414=1...(7) HA ARG 85 - HG2 LYS 46 OK 13 93 - 14 - 6866/2.9=1, 3.0/414=1...(7) HA2 GLY 25 - HG3 LYS 46 OK 12 89 - 14 - ~87=2, 6866/2.9=2, ~85=2...(6) HA2 GLY 25 - HG2 LYS 46 OK 12 89 - 14 - ~87=2, 6866/2.9=2, ~85=2...(6) HA THR 23 - HG3 LYS 119 OK 11 75 - 15 - 3.6/82=2, 3.0/858=2...(5) HA ARG 85 - HG3 LYS 119 OK 11 80 - 14 - 3.0/414=2, 4.8/4235=2, ~415=1 HA ALA 43 - HG3 LYS 119 lone 8 90 - 9 - HB2 SER 112 - HG2 LYS 46 poor 8 71 - 11 - ~8574=1, 3.0/8273=1 HB2 SER 112 - HG3 LYS 46 poor 8 71 - 11 - ~8574=1, 3.0/8273=1 HB3 SER 112 - HG3 LYS 46 poor 7 65 - 11 - ~8574=1, 3.0/8273=1 HB3 SER 112 - HG2 LYS 46 poor 7 65 - 11 - ~8574=1, 3.0/8273=1 HA ILE 34 - HG2 LYS 46 lone 7 93 - 7 - 6862/5.1=1 HA ILE 34 - HG3 LYS 46 lone 7 93 - 7 - 6862/5.1=1 HA2 GLY 2 - HG2 LYS 46 lone 6 93 - 7 - HA3 GLY 2 - HG2 LYS 46 lone 6 93 - 7 - HA3 GLY 2 - HG3 LYS 46 lone 6 93 - 7 - HA2 GLY 2 - HG3 LYS 46 lone 6 93 - 7 - HD3 PRO 68 - HG3 LYS 119 lone 6 90 - 7 - HD2 PRO 68 - HG3 LYS 119 lone 6 89 - 7 - HB2 SER 112 - HG3 LYS 119 lone 4 58 - 6 - 4.5/5230=1 HB3 SER 112 - HG3 LYS 119 lone 3 53 - 6 - 4.5/5230=1 HA2 GLY 25 - HG3 LYS 119 lone 3 75 - 4 - HB THR 95 - HG3 LYS 119 lone 2 51 - 4 - HB THR 95 - HG3 LYS 46 lone 2 63 - 3 - HB THR 95 - HG2 LYS 46 lone 2 63 - 3 - HA ILE 34 - HG3 LYS 119 lone 1 80 - 2 - HA2 GLY 2 - HG3 LYS 119 lone 1 80 - 1 - HA3 GLY 2 - HG3 LYS 119 lone 1 80 - 1 - Peak 8276 from cnoeabs.peaks (3.91, 2.54, 41.63 ppm; 5.14 A): 4 out of 28 assignments used, quality = 0.92: HA ALA 43 + HE3 LYS 46 OK 73 99 - 74 - 6803/3.0=19, 6805/4.7=11...(16) HD3 PRO 68 + HE3 LYS 46 OK 40 100 - 40 - 6867/3.0=7, 6866/3.0=7...(14) HD2 PRO 68 + HE3 LYS 46 OK 40 100 - 40 - 6867/3.0=7, 6866/3.0=6...(14) HA THR 23 + HE3 LYS 46 OK 19 81 - 24 - 6866/3.0=4, 6867/3.0=3...(8) HB THR 62 - HE3 LYS 46 lone 10 100 - 10 - 6866/3.0=2, 6867/3.0=2...(4) HA2 GLY 25 - HE3 LYS 46 poor 9 81 - 12 - ~87=2, ~85=2, 6866/3.0=2 HA ALA 43 - HE2 LYS 65 poor 8 67 - 11 - 6803/2988=2, 6803/5.0=1 HA ARG 53 - HE3 LYS 46 poor 8 68 - 11 - 6867/3.0=1, 3.0/3002=1...(4) HA ARG 85 - HE3 LYS 46 lone 7 87 - 8 - 6866/3.0=1, 6867/3.0=1 HB2 SER 112 - HE3 LYS 46 lone 6 81 - 8 - 3.0/8274=1, ~8574=1 HB3 SER 112 - HE3 LYS 46 lone 6 76 - 8 - 3.0/8274=1, ~8574=1 HA3 GLY 2 - HE3 LYS 46 lone 6 97 - 6 - HA2 GLY 2 - HE3 LYS 46 lone 6 97 - 6 - HA ILE 34 - HE3 LYS 46 lone 5 97 - 5 - HD3 PRO 68 - HE2 LYS 65 lone 4 69 - 5 - HD2 PRO 68 - HE2 LYS 65 lone 4 69 - 5 - HB THR 95 - HE2 LYS 65 lone 2 44 - 5 - HB THR 95 - HE3 LYS 46 lone 1 73 - 2 - HB THR 62 - HE2 LYS 65 lone 1 69 - 2 - HA2 GLY 25 - HE2 LYS 65 lone 1 49 - 3 - HA THR 23 - HE2 LYS 65 lone 1 49 - 3 - HA ARG 85 - HE2 LYS 65 lone 1 54 - 2 - HA ILE 34 - HE2 LYS 65 lone 1 64 - 2 - HA3 GLY 2 - HE2 LYS 65 lone 1 64 - 2 - HA2 GLY 2 - HE2 LYS 65 lone 1 64 - 2 - HB2 SER 112 - HE2 LYS 65 lone 1 49 - 2 - HB3 SER 112 - HE2 LYS 65 lone 1 45 - 2 - HA ARG 53 - HE2 LYS 65 lone 1 40 - 2 - Peak 8277 from cnoeabs.peaks (8.24, 3.58, 48.06 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.99: H VAL 49 + HA2 GLY 48 OK 99 99 - 100 - 3.6=100 H GLU 69 - HA2 GLY 48 OK 32 85 - 38 - 1457/3.0=10, 5.0/6883=6...(8) H ASP 100 - HA2 GLY 48 lone 5 83 - 6 - 1457/3.0=2, 4.6/6882=1 Peak 8279 from cnoeabs.peaks (3.38, 0.88, 21.00 ppm; 4.16 A): 3 out of 3 assignments used, quality = 0.84: HA VAL 50 + QG1 VAL 49 OK 76 100 - 77 - 3.0/5599=20, 3.2/8493=17...(20) HA LEU 21 + QG1 VAL 49 OK 24 100 - 24 - 994/4.3=5, 6402/2.1=3...(7) HA2 GLY 86 + QG1 VAL 49 OK 12 73 - 16 - 3.0/8407=3, 994/4.3=3...(7) Peak 8280 from cnoeabs.peaks (2.35, 0.92, 23.68 ppm; 3.82 A): 8 out of 27 assignments used, quality = 0.86: HG2 PRO 70 + QG2 VAL 49 OK 43 100 - 43 - 2.3/6906=9, ~7264=8...(9) HB2 LEU 54 + QD1 LEU 117 OK 28 61 - 45 - ~8013=11, 3187/2.1=7...(15) HG2 PRO 70 + QD1 LEU 117 OK 26 80 - 33 - 2.3/6906=5, 2.3/7262=4...(15) HB3 ASN 118 + QD1 LEU 117 OK 17 79 - 21 - 4.0/601=5, ~8022=5...(6) HG2 PRO 70 + QD1 LEU 55 OK 16 90 - 18 - 2.3/6906=4, 2.3/7262=3...(7) HB2 LEU 54 + QG2 VAL 49 OK 14 85 - 16 - ~8493=3, ~6985=3...(6) HB VAL 18 + QG2 VAL 49 OK 13 99 - 13 - 6360/2.1=2, 3.0/6906=2 HB2 LEU 54 + QD1 LEU 55 OK 13 71 - 18 - 5622/4.6=8, ~7014=2...(4) HB3 ASN 118 - QD1 LEU 55 poor 9 89 - 10 - 4.6/7018=2, 4.0/7019=2...(4) HG2 GLU 15 - QD1 LEU 117 poor 8 63 - 13 - 6317/3.1=2, ~6322=2...(4) HB2 GLU 82 - QD1 LEU 55 lone 8 85 - 9 - 4.3/7465=2, 3.0/7452=1...(4) HB3 GLU 82 - QD1 LEU 55 lone 8 85 - 9 - 4.3/7465=2, 3.0/7452=1...(4) HB VAL 18 - QD1 LEU 117 lone 7 76 - 9 - 2.1/8397=1, 6360=1 HB2 GLU 82 - QG2 VAL 49 lone 6 97 - 7 - HB3 GLU 82 - QG2 VAL 49 lone 6 97 - 7 - HB VAL 18 - QD1 LEU 55 lone 6 87 - 7 - 3.0/6906=1 HB3 ASN 118 - QG2 VAL 49 lone 4 100 - 4 - 4.0/601=1 HG2 GLU 15 - QG2 VAL 49 lone 3 87 - 3 - HB3 GLU 82 - QD1 LEU 117 lone 3 74 - 4 - HB2 GLU 82 - QD1 LEU 117 lone 3 74 - 4 - HG2 GLU 15 - QD1 LEU 55 lone 2 73 - 3 - HB2 GLN 103 - QD1 LEU 55 lone 2 65 - 3 - HB2 GLN 103 - QD1 LEU 117 lone 2 55 - 3 - HG2 MET 11 - QG2 VAL 49 lone 2 63 - 2 - HB2 GLN 103 - QG2 VAL 49 lone 1 78 - 2 - HG2 MET 11 - QD1 LEU 55 lone 1 51 - 2 - HG2 MET 11 - QD1 LEU 117 lone 1 43 - 1 - Peak 8281 from cnoeabs.peaks (0.21, 1.13, 23.11 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.90: QD1 LEU 54 + QG2 VAL 50 OK 74 100 - 74 - 6991/3.2=17, 6511/2.1=14...(24) QD2 LEU 21 + QG2 VAL 50 OK 62 83 - 76 - 6511/2.1=16, 6412=15...(19) Peak 8282 from cnoeabs.peaks (0.65, 1.13, 23.11 ppm; 3.74 A): 5 out of 5 assignments used, quality = 0.88: QD1 LEU 21 + QG2 VAL 50 OK 45 98 - 46 - 2.1/6412=12, ~6511=9...(11) QD1 LEU 45 + QG2 VAL 50 OK 43 100 - 43 - 2.1/3065=9, 2917/2.1=8...(15) QG2 VAL 26 + QG2 VAL 50 OK 42 83 - 51 - 8227=10, 8215/3.2=10...(14) QD1 LEU 51 + QG2 VAL 50 OK 23 76 - 30 - 2.1/6931=8, 3102/4.3=8...(7) QD2 LEU 24 + QG2 VAL 50 OK 12 87 - 13 - ~6466=3, ~5994=2...(6) Peak 8283 from cnoeabs.peaks (1.32, 0.57, 21.11 ppm; 4.14 A): 7 out of 18 assignments used, quality = 0.80: HG2 LYS 46 + QD2 LEU 45 OK 36 73 - 49 - 5.1/195=7, ~2914=3...(30) HG3 LYS 46 + QD2 LEU 45 OK 36 73 - 49 - 5.1/195=7, ~2914=3...(30) QB ALA 43 + QD2 LEU 45 OK 18 66 - 28 - 6815/4.7=9, 4.6/6828=7...(8) HG3 LYS 119 + QG1 VAL 50 OK 14 100 - 14 - ~8032=3, 2.9/3059=2...(4) QG2 THR 17 + QD2 LEU 45 OK 13 73 - 17 - 8194/2.1=6, 6338/2.1=3...(5) HB3 LEU 84 + QG1 VAL 50 OK 11 98 - 11 - 3.0/3059=1, 1.8/3059=1 QG2 THR 23 + QD2 LEU 45 OK 11 78 - 14 - 8199/4.0=6, 6454/2.1=5 QG2 THR 17 - QG1 VAL 50 poor 10 97 - 10 - 6337/6511=4, 6337/6511=1 HG3 LYS 46 - QG1 VAL 50 lone 9 97 - 10 - 5.1/195=3 HG2 LYS 46 - QG1 VAL 50 lone 9 97 - 10 - 5.1/195=3 HG3 LYS 119 - QD2 LEU 45 lone 8 78 - 10 - QB ALA 43 - QG1 VAL 50 lone 7 92 - 8 - 4.6/6828=3, 6815/969=1 HB3 LEU 84 - QD2 LEU 45 lone 5 74 - 7 - ~6841=2 HB3 LEU 59 - QG1 VAL 50 lone 4 65 - 6 - QG2 THR 23 - QG1 VAL 50 lone 4 100 - 4 - HB3 LEU 59 - QD2 LEU 45 lone 1 44 - 3 - HG CYS 87 - QG1 VAL 50 lone 1 99 - 1 - HG CYS 87 - QD2 LEU 45 lone 1 76 - 1 - Peak 8284 from cnoeabs.peaks (1.82, 4.22, 65.82 ppm; 4.82 A): 3 out of 12 assignments used, quality = 0.96: HG13 ILE 63 + HA CYS 52 OK 83 100 - 83 - 2.1/7146=18, 8311=16...(20) HG3 ARG 53 + HA CYS 52 OK 63 100 - 64 - 3153/3.6=13, 3.0/6061=12...(18) HB3 ARG 57 + HA CYS 52 OK 39 96 - 41 - 3.5/3112=5, 3.7/6063=4...(21) HG LEU 41 - HA CYS 52 OK 32 99 - 32 - 2798/3.6=7, 3.0/6059=5...(9) HB3 ARG 92 - HA CYS 52 OK 18 87 - 21 - 4.2/6943=11, 5.1/6943=3 HG12 ILE 22 - HA CYS 52 OK 17 76 - 23 - 3.2/6947=3, 1.8/2169=3...(10) HG2 GLU 75 - HA CYS 52 lone 9 97 - 9 - ~5721=2, ~5720=2, ~6953=1 HB2 PRO 60 - HA CYS 52 poor 9 81 - 11 - ~225=2, 2.3/6059=2, 1014/3.6=2 HG2 GLU 73 - HA CYS 52 lone 6 93 - 6 - 1014/3.6=1 HG3 GLU 73 - HA CYS 52 lone 6 92 - 6 - 1014/3.6=1 HB3 GLN 105 - HA CYS 52 lone 5 99 - 5 - HB2 GLU 69 - HA CYS 52 lone 4 98 - 4 - Peak 8285 from cnoeabs.peaks (1.60, 4.22, 65.82 ppm; 5.08 A): 3 out of 18 assignments used, quality = 0.96: HG12 ILE 63 + HA CYS 52 OK 84 100 - 84 - 2.1/7146=19, ~7147=17...(19) HG2 ARG 53 + HA CYS 52 OK 67 100 - 67 - 3145/3.6=14, 3.0/6061=13...(18) HG LEU 51 + HA CYS 52 OK 36 60 - 60 - ~227=21, ~229=12...(8) HG2 ARG 57 - HA CYS 52 OK 30 71 - 43 - 2.9/3112=5, 3.0/8284=5...(18) HB3 LEU 126 - HA CYS 52 OK 28 100 - 28 - 3.1/5411=4, 3.1/5418=3...(13) HB2 LEU 126 - HA CYS 52 OK 28 100 - 28 - 3.1/5411=4, 3.1/5418=3...(13) HG LEU 126 - HA CYS 52 OK 25 97 - 25 - 2.1/5411=4, 2.1/5418=3...(12) HD3 LYS 119 - HA CYS 52 OK 20 99 - 20 - 3.0/6956=3, 3.0/6956=3...(7) HD2 LYS 119 - HA CYS 52 OK 19 98 - 20 - 3.0/6956=3, 3.0/6956=3...(7) HG LEU 101 - HA CYS 52 OK 10 93 - 11 - 3145/3.6=3, ~226=1, 228/3.0=1 HG3 ARG 81 - HA CYS 52 poor 10 71 - 14 - 3.0/3112=2, 8286/3.0=1...(4) HG2 ARG 81 - HA CYS 52 poor 10 71 - 14 - 3.0/3112=2, 8286/3.0=1...(4) HD2 LYS 31 - HA CYS 52 lone 7 90 - 8 - 3.4/6061=2, 1013/3.6=1 HD3 LYS 31 - HA CYS 52 lone 7 90 - 8 - 3.4/6061=2, 1013/3.6=1 HG2 PRO 30 - HA CYS 52 lone 6 99 - 6 - 1013/3.6=1 HB2 LEU 59 - HA CYS 52 lone 6 85 - 7 - 228/3.0=1, ~226=1, 1013/3.6=1 HD2 LYS 32 - HA CYS 52 lone 5 100 - 5 - HD3 LYS 32 - HA CYS 52 lone 5 100 - 5 - Peak 8286 from cnoeabs.peaks (1.60, 3.12, 27.40 ppm; 5.35 A): 2 out of 17 assignments used, quality = 0.95: HG12 ILE 63 + HB3 CYS 52 OK 85 100 - 86 - ~7147=23, ~7142=22...(17) HG2 ARG 53 + HB3 CYS 52 OK 65 95 - 69 - 3145/4.4=12, 1.8/8287=9...(22) HG2 ARG 57 - HB3 CYS 52 OK 33 89 - 38 - 3.0/8287=5, 1.8/3330=4...(13) HB2 LEU 126 - HB3 CYS 52 OK 26 100 - 26 - 3.1/6951=3, 8285/3.0=2...(13) HB3 LEU 126 - HB3 CYS 52 OK 26 99 - 26 - 3.1/6951=3, 8285/3.0=2...(13) HG LEU 126 - HB3 CYS 52 OK 25 100 - 25 - 2.1/6951=3, ~5411=3...(10) HD3 LYS 119 - HB3 CYS 52 OK 17 100 - 17 - 3.0/6955=2, 3.0/6955=2...(6) HD2 LYS 119 - HB3 CYS 52 OK 17 100 - 17 - 3.0/6955=2, 3.0/6955=2...(6) HG3 ARG 81 - HB3 CYS 52 OK 16 89 - 17 - ~3116=2, 4.0/8566=1...(6) HG2 ARG 81 - HB3 CYS 52 OK 16 89 - 17 - ~3116=2, 4.0/8566=1...(6) HG LEU 101 - HB3 CYS 52 lone 8 78 - 10 - 3145/4.4=3 HG2 PRO 30 - HB3 CYS 52 lone 5 90 - 5 - 1013/4.4=1 HD3 LYS 31 - HB3 CYS 52 lone 5 73 - 6 - 1013/4.4=1, ~6061=1 HD2 LYS 31 - HB3 CYS 52 lone 5 73 - 6 - 1013/4.4=1, ~6061=1 HD2 LYS 32 - HB3 CYS 52 lone 4 95 - 4 - HD3 LYS 32 - HB3 CYS 52 lone 4 95 - 4 - HB2 LEU 59 - HB3 CYS 52 lone 3 65 - 5 - Peak 8287 from cnoeabs.peaks (1.82, 3.12, 27.40 ppm; 5.68 A): 2 out of 12 assignments used, quality = 0.96: HG13 ILE 63 + HB3 CYS 52 OK 87 100 - 87 - ~7142=25, ~7147=24...(16) HG3 ARG 53 + HB3 CYS 52 OK 70 97 - 72 - 3153/4.4=14, ~6061=9...(21) HB3 ARG 57 - HB3 CYS 52 OK 45 100 - 45 - 8284/3.0=6, 3.7/3117=5...(16) HG LEU 41 - HB3 CYS 52 OK 31 90 - 34 - 2798/4.4=7, 5.2/5613=5...(9) HG2 GLU 75 - HB3 CYS 52 OK 11 100 - 11 - 1.8/6953=3, 8284/3.0=1 HB3 ARG 92 - HB3 CYS 52 OK 10 97 - 10 - 3153/4.4=3, 8284/3.0=3 HB2 PRO 60 - HB3 CYS 52 poor 10 95 - 10 - 1014/4.4=2, ~6059=2, 8284/3.0=1 HB3 GLU 56 - HB3 CYS 52 poor 8 73 - 11 - 4.6/3117=4 HB3 GLN 105 - HB3 CYS 52 lone 8 100 - 8 - 4.1/7786=2 HG2 GLU 73 - HB3 CYS 52 lone 8 78 - 10 - 4.1/6082=2, 1014/4.4=1 HG3 GLU 73 - HB3 CYS 52 lone 7 76 - 10 - 4.1/6082=2, 1014/4.4=1 HB2 GLU 69 - HB3 CYS 52 lone 5 89 - 5 - Peak 8288 from cnoeabs.peaks (3.38, 1.83, 27.58 ppm; 4.60 A): 4 out of 8 assignments used, quality = 0.91: HA VAL 50 + HG3 ARG 53 OK 69 97 - 71 - 6047/3.0=18, 6916/3.0=17...(14) HA LEU 21 + HG3 ARG 53 OK 48 100 - 48 - 6046/3.0=10, 8290/3.0=9...(12) HB3 PHE 40 + HG3 ARG 53 OK 26 68 - 38 - 4.7/946=6, 8290/3.0=6...(11) HA2 GLY 86 + HG3 ARG 53 OK 26 60 - 43 - 6046/3.0=7, 6048/3.0=6...(12) HA VAL 50 - HB3 ARG 92 lone 7 75 - 9 - HA LEU 21 - HB3 ARG 92 lone 5 80 - 6 - HB3 PHE 40 - HB3 ARG 92 lone 2 48 - 4 - HA2 GLY 86 - HB3 ARG 92 lone 2 42 - 4 - Peak 8289 from cnoeabs.peaks (3.38, 3.18, 43.53 ppm; 4.57 A): 4 out of 8 assignments used, quality = 0.90: HA VAL 50 + HD2 ARG 53 OK 67 97 - 69 - 6916/1.8=20, 6047/3.6=16...(13) HA LEU 21 + HD2 ARG 53 OK 44 100 - 44 - 8290/1.8=11, 6046/3.6=9...(10) HB3 PHE 40 + HD2 ARG 53 OK 29 68 - 43 - 2.5/6957=7, 8290/1.8=7...(13) HA2 GLY 86 + HD2 ARG 53 OK 22 60 - 37 - 6046/3.6=6, 8290/1.8=6...(10) HA VAL 50 - HD2 ARG 81 lone 5 53 - 8 - HA LEU 21 - HD2 ARG 81 lone 3 57 - 6 - HB3 PHE 40 - HD2 ARG 81 lone 1 32 - 3 - HA2 GLY 86 - HD2 ARG 81 lone 1 28 - 3 - Peak 8290 from cnoeabs.peaks (3.38, 3.10, 43.53 ppm; 4.17 A): 4 out of 4 assignments used, quality = 0.88: HA VAL 50 + HD3 ARG 53 OK 68 97 - 70 - 6916=19, 6047/3.6=14...(12) HA LEU 21 + HD3 ARG 53 OK 39 100 - 39 - 8289/1.8=9, 6046/3.6=7...(9) HB3 PHE 40 + HD3 ARG 53 OK 26 68 - 38 - 2.5/6958=8, 8289/1.8=6...(12) HA2 GLY 86 + HD3 ARG 53 OK 19 60 - 32 - 6046/3.6=5, 6048/3.6=5...(11) Peak 8291 from cnoeabs.peaks (3.38, 1.61, 27.58 ppm; 4.88 A): 3 out of 8 assignments used, quality = 0.95: HA VAL 50 + HG2 ARG 53 OK 79 99 - 80 - 6047/3.0=20, 6916/3.0=19...(17) HA LEU 21 + HG2 ARG 53 OK 52 100 - 52 - 6046/3.0=11, 8288/1.8=11...(10) HA LEU 21 + HG LEU 101 OK 48 97 - 50 - 2101/2.1=9, 3.0/4671=6...(13) HA2 GLY 86 - HG2 ARG 53 OK 34 71 - 48 - 6046/3.0=8, 6048/3.0=7...(14) HB3 PHE 40 - HG2 ARG 53 OK 24 57 - 42 - 8290/3.0=7, 8289/3.0=6...(12) HA VAL 50 - HG LEU 101 OK 24 95 - 25 - ~8153=4, ~8154=4, 6914=4...(5) HB3 PHE 40 - HG LEU 101 poor 10 52 - 19 - ~4670=4, 2.5/8635=4...(6) HA2 GLY 86 - HG LEU 101 lone 5 65 - 8 - ~7512=1 Peak 8292 from cnoeabs.peaks (1.01, 4.06, 57.73 ppm; 3.70 A): 4 out of 9 assignments used, quality = 0.73: QD1 LEU 58 + HA LEU 55 OK 39 100 - 39 - 7060=8, 4.9/6999=5...(9) QD2 LEU 58 + HA LEU 55 OK 32 95 - 34 - 2.1/7060=7, 4.9/6999=5...(7) QG1 VAL 120 + HA LEU 55 OK 21 73 - 28 - 2.1/7009=9, 4.0/6999=5...(6) HB3 LEU 27 + HA LEU 55 OK 20 100 - 20 - 1.8/7011=3, 3.1/3224=2...(7) QD1 LEU 101 - HA LEU 55 lone 7 81 - 9 - QG1 VAL 18 - HA LEU 55 lone 6 78 - 8 - QD2 LEU 101 - HA LEU 55 lone 6 71 - 8 - HG2 LYS 65 - HA LEU 55 lone 1 68 - 2 - HG3 LYS 65 - HA LEU 55 lone 1 68 - 2 - Peak 8294 from cnoeabs.peaks (7.18, 2.00, 41.36 ppm; 4.70 A): 4 out of 6 assignments used, quality = 0.67: QD PHE 107 + HB2 LEU 41 OK 52 63 - 83 - ~6762=16, ~6767=16...(17) QD PHE 107 + HB2 LEU 55 OK 14 99 - 14 - 8295/1.8=6 QD TYR 67 + HB2 LEU 55 OK 13 87 - 15 - 8295/1.8=6, 4816/4.0=2 QD TYR 67 + HB2 LEU 41 OK 10 50 - 21 - 8588/4.2=5, 8259/3.0=3...(6) HE ARG 81 - HB2 LEU 55 lone 9 100 - 8 - 8295/1.8=4 HE ARG 81 - HB2 LEU 41 poor 7 64 - 11 - 8588/4.2=5, 8259/3.0=2 Peak 8295 from cnoeabs.peaks (7.19, 1.72, 41.36 ppm; 4.72 A): 4 out of 8 assignments used, quality = 0.54: QD TYR 67 + HB3 LEU 77 OK 23 84 - 28 - 4816/4.3=6, 4691/3.1=5...(9) QD PHE 107 + HB3 LEU 77 OK 21 93 - 23 - 4806/1.8=5, ~7888=4...(7) QD PHE 107 + HB3 LEU 55 OK 13 100 - 13 - 8294/1.8=5, ~6760=2 QD TYR 67 + HB3 LEU 55 OK 13 93 - 14 - 8294/1.8=5, 4816/4.0=2 HE ARG 81 - HB3 LEU 55 lone 8 100 - 8 - 8294/1.8=3 H LYS 65 - HB3 LEU 77 lone 4 54 - 8 - ~7167=2, 7359/4.3=2 HE ARG 81 - HB3 LEU 77 lone 3 93 - 3 - H LYS 65 - HB3 LEU 55 lone 2 63 - 4 - Peak 8296 from cnoeabs.peaks (4.81, 1.87, 27.06 ppm; 4.39 A): 3 out of 4 assignments used, quality = 0.76: HA TYR 67 + HG3 PRO 68 OK 58 89 - 66 - 8315/1.8=20, 8317/2.3=19...(9) HA PHE 96 + HG3 PRO 68 OK 35 100 - 35 - 8315/1.8=12, 8317/2.3=11...(6) HA TYR 67 + HG LEU 55 OK 12 77 - 15 - 4.8/3728=3, 3.8/3758=3...(6) HA PHE 96 - HG LEU 55 lone 5 92 - 5 - Peak 8297 from cnoeabs.peaks (1.12, 1.88, 26.99 ppm; 4.51 A): 6 out of 8 assignments used, quality = 0.91: QG2 THR 62 + HG LEU 55 OK 51 97 - 53 - 7113/3.0=10, 7114=10...(12) QG2 VAL 50 + HG LEU 55 OK 37 90 - 41 - ~7015=6, 3064=5...(16) QD2 LEU 117 + HG LEU 55 OK 36 90 - 40 - 7009/4.3=8, 8554/2.1=5...(17) QG2 VAL 120 + HG LEU 55 OK 32 100 - 32 - 7009/4.3=8, 8041/4.8=3...(11) QG2 THR 62 + HG3 PRO 68 OK 20 87 - 23 - 7114=4, 3496/2.3=3...(9) QD2 LEU 117 + HG3 PRO 68 OK 18 79 - 24 - ~7226=4, 5168/2.3=4...(8) QG2 VAL 50 - HG3 PRO 68 poor 9 79 - 12 - 6918/5693=1, 3064=1...(4) QG2 VAL 120 - HG3 PRO 68 lone 4 91 - 5 - Peak 8298 from cnoeabs.peaks (1.34, 1.88, 26.99 ppm; 5.07 A): 6 out of 16 assignments used, quality = 0.91: HB3 LEU 59 + HG LEU 55 OK 53 100 - 53 - 7080=8, 3408/2.1=6...(23) HG2 LYS 31 + HG LEU 55 OK 40 68 - 60 - 2.9/3243=7, 2427/3.0=5...(26) HG2 LYS 46 + HG3 PRO 68 OK 32 82 - 39 - ~6867=4, ~6866=4...(20) HG3 LYS 46 + HG3 PRO 68 OK 32 82 - 39 - ~6867=4, ~6866=4...(20) QB ALA 43 + HG3 PRO 68 OK 21 88 - 24 - 6808/1.8=3, 6808/2.3=3...(12) HG3 LYS 119 + HG LEU 55 OK 17 76 - 23 - 4.9/1383=3, 4.0/5192=2...(6) QB ALA 43 - HG LEU 55 OK 17 98 - 17 - 6811/4.3=2, 6806/2.1=2...(6) HG3 LYS 46 - HG LEU 55 OK 16 93 - 17 - 8273/4.3=1 HG2 LYS 46 - HG LEU 55 OK 16 93 - 17 - 8273/4.3=1 QG2 THR 17 - HG LEU 55 OK 11 93 - 12 - 6338/3.0=2, 6341/4.3=2 HB3 LEU 59 - HG3 PRO 68 lone 9 92 - 9 - 3.0/8414=1, 3.7/273=1 QG2 THR 23 - HG LEU 55 lone 6 68 - 9 - ~6453=2, 3.2/6457=1...(4) HG2 LYS 31 - HG3 PRO 68 lone 5 58 - 8 - QG2 THR 17 - HG3 PRO 68 lone 5 82 - 6 - 6338/1.8=1, 6338/2.3=1 HG3 LYS 119 - HG3 PRO 68 lone 4 65 - 7 - QG2 THR 23 - HG3 PRO 68 lone 3 58 - 6 - Peak 8299 from cnoeabs.peaks (8.33, 4.17, 57.27 ppm; 4.89 A): 1 out of 5 assignments used, quality = 0.56: H THR 62 + HA GLU 56 OK 56 100 - 56 - 4.6/8301=26, 4.6/8302=12...(10) H CYS 87 - HA GLU 56 lone 7 76 - 9 - 1703=1 H GLY 125 - HA GLU 56 lone 5 100 - 5 - H SER 74 - HA GLU 56 lone 4 87 - 5 - H ILE 22 - HA GLU 56 lone 4 68 - 6 - 4.0/7029=2 Peak 8300 from cnoeabs.peaks (8.66, 4.17, 57.27 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.70: H LEU 59 + HA GLU 56 OK 46 99 - 46 - 7070=22, 7081/2.9=14...(6) H LEU 117 + HA GLU 56 OK 27 100 - 27 - 7044/3.6=7, 1782/2.9=4...(9) H VAL 120 + HA GLU 56 OK 25 99 - 26 - 609/3.6=9, 1797/2.9=7...(7) H ASN 12 - HA GLU 56 lone 4 97 - 4 - 5.7/3261=1, 7044/3.6=1 H ASN 106 - HA GLU 56 lone 2 71 - 3 - 7044/3.6=1 Peak 8301 from cnoeabs.peaks (10.08, 4.17, 57.27 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.68: H GLY 61 + HA GLU 56 OK 68 100 - 68 - 3.5/7024=21, 4.6/8299=17...(15) Peak 8302 from cnoeabs.peaks (8.44, 4.17, 57.27 ppm; 4.96 A): 4 out of 4 assignments used, quality = 0.83: H ILE 63 + HA GLU 56 OK 61 100 - 61 - 4.6/8299=19...(12) H GLU 82 + HA GLU 56 OK 42 99 - 42 - 1678=11, 4.3/6114=7...(12) H GLN 16 + HA GLU 56 OK 15 97 - 16 - 8303/4.0=5, 33/4.0=3, 5747/3.0=2 H LEU 51 + HA GLU 56 OK 11 90 - 12 - 1460/3.6=3, 8303/4.0=3 Peak 8303 from cnoeabs.peaks (8.44, 2.31, 35.00 ppm; 5.45 A): 4 out of 4 assignments used, quality = 0.86: H ILE 63 + HG3 GLU 56 OK 68 100 - 68 - 4.0/7026=18, 8302/4.0=16...(15) H GLU 82 + HG3 GLU 56 OK 30 99 - 30 - 8302/4.0=11, 5747/3.0=4...(6) H GLN 16 + HG3 GLU 56 OK 26 97 - 27 - 814=5, 33/1.8=4...(8) H LEU 51 + HG3 GLU 56 OK 14 89 - 16 - 8302/4.0=3, 2.9/6052=3...(5) Peak 8304 from cnoeabs.peaks (1.40, 1.87, 43.52 ppm; 4.20 A): 6 out of 10 assignments used, quality = 0.94: HB2 LEU 27 + HB2 LEU 58 OK 52 100 - 52 - 7062/3.1=7, 2272/3.1=6...(25) HB3 LEU 93 + HB2 LEU 58 OK 45 95 - 48 - 7062/3.1=5, 4488/1.8=4...(24) QG2 THR 121 + HB2 LEU 58 OK 36 85 - 42 - 8090=9, 8086/3.1=7...(10) HG LEU 59 + HB2 LEU 58 OK 34 99 - 35 - 3410/4.6=9, 8414=6...(9) HG2 LYS 31 + HB2 LEU 58 OK 30 71 - 42 - 7062/3.1=4, 2428=4...(22) HB2 LEU 111 + HB2 LEU 58 OK 26 99 - 26 - 7062/3.1=3, 4997/3.9=3...(12) HB VAL 110 - HB2 LEU 58 OK 24 100 - 24 - 4.0/553=5, 7062/3.1=4...(9) QB ALA 122 - HB2 LEU 58 OK 15 89 - 17 - ~8096=3, 2.1/3355=2...(9) HB2 LEU 51 - HB2 LEU 58 lone 6 73 - 8 - 1056/4.6=1 QB ALA 98 - HB2 LEU 58 lone 2 65 - 3 - Peak 8305 from cnoeabs.peaks (1.39, 4.25, 56.62 ppm; 4.27 A): 7 out of 24 assignments used, quality = 0.94: HB3 LEU 93 + HA GLU 94 OK 45 68 - 67 - 461/3.0=21, ~459=13...(16) HB3 LEU 93 + HA LEU 58 OK 39 100 - 39 - 8304/3.0=5, 7062/4.0=5...(17) HB2 LEU 27 + HA LEU 58 OK 35 98 - 35 - 7062/4.0=6, 8304/3.0=6...(12) QG2 THR 121 + HA LEU 58 OK 29 97 - 30 - 8086/4.0=7, 8071/3.6=7...(6) HG LEU 59 + HA LEU 58 OK 29 93 - 31 - 3410/3.6=11, 8414/3.0=4...(9) HB2 LEU 111 + HA LEU 58 OK 28 100 - 28 - 4997/3.0=3, 8304/3.0=3...(13) HG2 LYS 31 + HA LEU 58 OK 27 89 - 31 - 2428/3.0=4, 8306/3.0=3...(16) HB VAL 110 - HA LEU 58 OK 22 99 - 22 - 5877/3.0=4, 7062/4.0=3...(10) QB ALA 122 - HA LEU 58 poor 9 71 - 13 - 2.9/1401=3, 1056/3.6=2...(4) HB2 LEU 111 - HA GLU 94 poor 8 69 - 12 - 461/3.0=5, ~463=2, ~5805=1 HB2 LEU 111 - HA GLU 64 lone 7 82 - 9 - ~295=2, ~7910=1, 3.0/7055=1 HB3 LEU 93 - HA GLU 64 lone 6 81 - 8 - 4.4/1238=2, ~295=1 QG2 THR 121 - HA GLU 94 lone 5 63 - 7 - 461/3.0=3, 8091/4.2=1 HB VAL 110 - HA GLU 64 lone 4 80 - 5 - 7855/3.6=2 HB2 LEU 27 - HA GLU 64 lone 4 78 - 5 - ~298=1 HG LEU 59 - HA GLU 94 lone 3 59 - 6 - 461/3.0=1, ~464=1, 5.1/272=1 HG2 LYS 31 - HA GLU 94 lone 3 55 - 6 - 461/3.0=3, ~460=1 HB2 LEU 27 - HA GLU 94 lone 3 65 - 5 - 461/3.0=2 HB VAL 110 - HA GLU 94 lone 3 67 - 4 - 461/3.0=2 HG LEU 59 - HA GLU 64 lone 2 71 - 3 - 5.1/272=2 QG2 THR 121 - HA GLU 64 lone 2 75 - 3 - HG2 LYS 31 - HA GLU 64 lone 1 67 - 2 - QB ALA 122 - HA GLU 64 lone 1 51 - 2 - QB ALA 122 - HA GLU 94 lone 1 41 - 2 - Peak 8306 from cnoeabs.peaks (1.37, 1.49, 43.52 ppm; 2.95 A): 8 out of 24 assignments used, quality = 0.87: HB3 LEU 93 + HB2 LEU 93 OK 46 46 - 100 - 1.8=100 HB3 LEU 93 + HB3 LEU 58 OK 26 97 - 27 - 4488=4, 7062/3.1=2...(10) HG2 LYS 31 + HB3 LEU 58 OK 24 100 - 24 - 2428/1.8=3, 2430=2...(5) QG2 THR 121 + HB3 LEU 58 OK 22 100 - 22 - 8086/3.1=5, 8090/1.8=4...(8) HB2 LEU 27 + HB3 LEU 58 OK 18 71 - 26 - 7062/3.1=3, 6367/3.1=3...(11) HG2 LYS 31 + HB2 LEU 93 OK 15 50 - 30 - 2430=4, ~2439=2...(13) HB2 LEU 111 + HB2 LEU 93 OK 13 38 - 35 - 4508/3.1=4, 4473/3.0=3...(14) HB2 LEU 111 + HB3 LEU 58 OK 11 87 - 13 - 7062/3.1=1, 6367/3.1=1...(4) QG2 THR 121 - HB2 LEU 93 poor 9 49 - 19 - 8085/3.1=4, 5309/3.0=3...(6) HB3 LEU 59 - HB3 LEU 58 poor 9 73 - 12 - 3.7/5647=4, ~8414=1...(4) HB VAL 110 - HB3 LEU 58 poor 9 78 - 11 - 7062/3.1=2, 4.0/554=2...(4) HG LEU 59 - HB3 LEU 58 poor 6 57 - 11 - 5.1/5647=3, ~7056=1...(5) HB3 LEU 93 - HB2 LEU 24 lone 4 50 - 8 - 4488=1 HB2 LEU 27 - HB2 LEU 93 poor 4 29 - 14 - 4508/3.1=1, 4473/3.0=1...(4) HG2 LYS 31 - HB2 LEU 24 lone 4 55 - 7 - 2426/3.0=1 HB2 LEU 111 - HB2 LEU 24 lone 4 42 - 10 - 5000/1.8=2, 3.0/6222=1 HB3 LEU 59 - HB2 LEU 93 poor 4 31 - 12 - 3407/1.8=2, 3408/3.1=1 HB VAL 110 - HB2 LEU 93 poor 3 33 - 11 - 1233/3.8=1, 4473/3.0=1...(5) HG LEU 59 - HB2 LEU 93 poor 3 23 - 13 - 4508/3.1=1, ~4490=1, ~3421=1 HB2 LEU 27 - HB2 LEU 24 lone 1 32 - 4 - QG2 THR 121 - HB2 LEU 24 lone 1 54 - 2 - HB VAL 110 - HB2 LEU 24 lone 0 36 - 1 - HB3 LEU 59 - HB2 LEU 24 lone 0 34 - 1 - HG LEU 59 - HB2 LEU 24 lone 0 25 - 1 - Peak 8307 from cnoeabs.peaks (4.67, 3.55, 49.63 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.91: HA LEU 59 + HD2 PRO 60 OK 91 100 - 91 - 3.8=79, 8308/1.8=32...(9) HA ASN 106 - HD2 PRO 60 lone 7 85 - 8 - 8308/1.8=3, 3404/4.8=2...(4) Peak 8308 from cnoeabs.peaks (4.67, 3.34, 49.63 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.93: HA LEU 59 + HD3 PRO 60 OK 93 100 - 93 - 3.8=82, 8307/1.8=34...(10) HA ASN 106 - HD3 PRO 60 lone 8 85 - 9 - 8307/1.8=3, 3404/4.8=2...(4) Peak 8309 from cnoeabs.peaks (2.00, 0.94, 10.87 ppm; 3.58 A): 5 out of 12 assignments used, quality = 0.85: HB3 ARG 53 + QD1 ILE 63 OK 53 89 - 60 - 1.8/8310=11, 4.0/7126=6...(24) HB2 LEU 55 + QD1 ILE 63 OK 36 100 - 36 - 1.8/8310=8, 4.0/7127=5...(12) HG2 PRO 60 + QD1 ILE 63 OK 25 95 - 26 - 2.3/7148=3, 2.3/3538=2...(12) HB2 LEU 41 + QD1 ILE 63 OK 22 76 - 29 - 4.1/7126=3, 3.0/3538=2...(15) HB ILE 124 + QD1 ILE 63 OK 17 76 - 22 - 3.0/3534=3, 5344=2...(12) HB3 PRO 68 - QD1 ILE 63 poor 9 76 - 12 - 3.0/7152=2, 3.0/7152=2 HB2 GLU 94 - QD1 ILE 63 lone 8 99 - 8 - 4.0/7126=2 HG2 PRO 68 - QD1 ILE 63 poor 7 68 - 11 - 2.3/7152=3, 2.3/7152=3 HB3 GLN 103 - QD1 ILE 63 lone 7 76 - 9 - 3.0/8648=4, ~8649=2 HB2 LYS 46 - QD1 ILE 63 lone 6 99 - 6 - HG LEU 114 - QD1 ILE 63 lone 3 68 - 5 - HB2 MET 11 - QD1 ILE 63 lone 1 83 - 2 - Peak 8310 from cnoeabs.peaks (1.72, 0.94, 10.87 ppm; 3.93 A): 4 out of 8 assignments used, quality = 0.81: HB2 ARG 53 + QD1 ILE 63 OK 52 78 - 66 - 1.8/8309=11, 4.0/7126=8...(26) HB3 LEU 55 + QD1 ILE 63 OK 39 100 - 39 - 1.8/8309=8, 4.0/7127=6...(13) HB VAL 66 + QD1 ILE 63 OK 23 63 - 38 - 2.1/3536=7, 3.0/7146=7...(12) HB2 LEU 91 + QD1 ILE 63 OK 15 92 - 16 - 7138/3.2=2, 3.1/3536=2...(4) HB2 LYS 31 - QD1 ILE 63 lone 8 100 - 8 - HB3 LEU 77 - QD1 ILE 63 lone 7 98 - 7 - HB3 ARG 71 - QD1 ILE 63 lone 5 98 - 5 - HG2 ARG 71 - QD1 ILE 63 lone 4 73 - 5 - Peak 8311 from cnoeabs.peaks (4.21, 1.82, 25.84 ppm; 4.85 A): 3 out of 10 assignments used, quality = 0.92: HA CYS 52 + HG13 ILE 63 OK 79 97 - 82 - ~7147=15, 7146/2.1=14...(19) HA VAL 66 + HG13 ILE 63 OK 51 100 - 51 - 3664/3.2=8, ~7123=8...(13) HA ILE 22 + HG13 ILE 63 OK 25 100 - 25 - 7146/2.1=5, 3.2/3532=3...(11) HA VAL 26 - HG13 ILE 63 OK 21 97 - 21 - 7146/2.1=3, 3.2/8218=2...(8) HA ARG 92 - HG13 ILE 63 OK 14 71 - 20 - ~7123=3, 3.6/453=3...(6) HA3 GLY 61 - HG13 ILE 63 OK 13 89 - 15 - 3.6/7097=7, 3.0/279=4, ~282=3 HA SER 13 - HG13 ILE 63 OK 12 100 - 12 - 7146/2.1=2, ~6290=1...(4) HA LEU 126 - HG13 ILE 63 OK 11 100 - 11 - 7146/2.1=1, 3.0/3530=1 HA THR 17 - HG13 ILE 63 lone 7 73 - 10 - 7146/2.1=2, ~6334=1 HA PRO 68 - HG13 ILE 63 lone 6 73 - 9 - 3.6/1102=2, ~8309=1 Peak 8312 from cnoeabs.peaks (4.47, 2.84, 37.85 ppm; 4.63 A): 8 out of 18 assignments used, quality = 0.92: HA PRO 70 + HB2 ASN 79 OK 56 96 - 58 - 2.3/7259=12, 2.3/7255=11...(11) HA PRO 70 + HB3 TYR 67 OK 35 97 - 36 - 2.3/7259=7, 3.5/7280=6...(9) HA PRO 70 + HB2 TYR 67 OK 35 97 - 36 - 2.3/7259=7, 3.5/7280=6...(9) HA ARG 71 + HB2 ASN 79 OK 20 96 - 21 - 3.0/7280=10, 5701/3.5=3, ~1474=2 HA ARG 71 + HB3 TYR 67 OK 15 97 - 16 - 3.0/7280=7, ~7280=5 HA ARG 71 + HB2 TYR 67 OK 15 97 - 16 - 3.0/7280=7, ~7280=5 HA LEU 101 + HB2 TYR 67 OK 12 85 - 15 - 7719/2.6=4, ~4689=2...(6) HA LEU 101 + HB3 TYR 67 OK 12 85 - 15 - 7719/2.6=4, ~4689=2...(6) HA LEU 101 - HB2 ASN 79 lone 6 84 - 7 - ~1727=1 HA PRO 30 - HB3 TYR 67 lone 5 60 - 8 - ~6584=2, ~6585=2 HA PRO 30 - HB2 TYR 67 lone 5 60 - 8 - ~6584=2, ~6585=2 HA PRO 60 - HB2 ASN 79 lone 4 99 - 4 - HA PRO 30 - HB2 ASN 79 lone 4 59 - 6 - 6581/3.5=1, ~6582=1 HA PRO 60 - HB3 TYR 67 lone 3 100 - 3 - HA PRO 60 - HB2 TYR 67 lone 3 100 - 3 - HA SER 90 - HB2 ASN 79 lone 2 97 - 2 - HA SER 90 - HB2 TYR 67 lone 1 98 - 1 - HA SER 90 - HB3 TYR 67 lone 1 98 - 1 - Peak 8313 from cnoeabs.peaks (8.08, 6.79, 117.82 ppm; 5.35 A): 5 out of 6 assignments used, quality = 0.86: H SER 78 + QE TYR 67 OK 65 82 - 79 - 7360=26, 3.9/7362=22...(12) HD22 ASN 79 + QE TYR 67 OK 35 61 - 58 - 4816/2.2=15, 8142/6.4=13...(14) H GLY 39 + QE TYR 67 OK 24 81 - 29 - 4816/2.2=8, ~4686=3...(11) H LEU 24 + QE TYR 67 OK 11 87 - 12 - 4816/2.2=2, 4.8/6477=1 H GLN 105 + QE TYR 67 OK 10 87 - 12 - 4816/2.2=3, 4.7/7778=2 H THR 33 - QE TYR 67 lone 7 73 - 10 - 4816/2.2=2 Peak 8314 from cnoeabs.peaks (4.81, 3.92, 51.16 ppm; 3.12 A): 4 out of 4 assignments used, quality = 0.94: HA TYR 67 + HD3 PRO 68 OK 69 93 - 74 - 3.8=56, 8296/2.3=9...(12) HA TYR 67 + HD2 PRO 68 OK 68 93 - 74 - 3.8=56, 8296/2.3=9...(11) HA PHE 96 + HD2 PRO 68 OK 22 100 - 22 - 8296/2.3=5, 8315/2.3=5...(6) HA PHE 96 + HD3 PRO 68 OK 22 100 - 22 - 8296/2.3=5, 8315/2.3=5...(6) Peak 8315 from cnoeabs.peaks (4.80, 1.98, 27.06 ppm; 4.47 A): 2 out of 6 assignments used, quality = 0.73: HA TYR 67 + HG2 PRO 68 OK 58 87 - 67 - 8296/1.8=21, 8317/2.3=19...(9) HA PHE 96 + HG2 PRO 68 OK 35 100 - 35 - 8296/1.8=13, 8317/2.3=11...(6) HA TYR 67 - HG2 PRO 60 lone 6 76 - 8 - 3.8/3751=2, 3.8/3751=2 HA TYR 67 - HG LEU 114 poor 6 55 - 10 - 4.8/3727=2, 3.8/3751=2...(4) HA PHE 96 - HG LEU 114 lone 3 70 - 4 - HA PHE 96 - HG2 PRO 60 lone 2 92 - 2 - Peak 8317 from cnoeabs.peaks (4.81, 2.23, 32.13 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.83: HA TYR 67 + HB2 PRO 68 OK 71 97 - 73 - 8736/3.9=23, 8296/2.3=21...(9) HA PHE 96 + HB2 PRO 68 OK 42 100 - 42 - 8296/2.3=13, 8315/2.3=13...(7) Peak 8318 from cnoeabs.peaks (7.57, 2.24, 33.65 ppm; 5.07 A): 4 out of 6 assignments used, quality = 0.82: H CYS 76 + HB2 PRO 70 OK 68 99 - 69 - 2.9/8320=18, 7321/1.8=13...(12) H ARG 57 + HB2 PRO 70 OK 22 76 - 29 - 3.6/3265=6, 4.6/3814=5...(6) H SER 113 + HB2 PRO 70 OK 15 99 - 15 - 7322=3, 7321/1.8=3...(5) H LYS 119 + HB2 PRO 70 OK 13 68 - 18 - 4.6/599=4, 606/2.3=4...(4) H CYS 52 - HB2 PRO 70 lone 7 100 - 7 - HE3 TRP 20 - HB2 PRO 70 lone 5 81 - 6 - 4.3/4658=2 Peak 8319 from cnoeabs.peaks (4.36, 2.10, 33.65 ppm; 5.07 A): 5 out of 8 assignments used, quality = 0.87: HA CYS 76 + HB3 PRO 70 OK 67 100 - 67 - 8320/1.8=19, ~8318=13...(16) HA GLN 105 + HB3 PRO 70 OK 33 87 - 38 - 8320/1.8=11, 8321/2.3=5...(17) HA MET 11 + HB3 PRO 70 OK 21 100 - 21 - 3.6/6283=10, 8320/1.8=4 HA ASP 100 + HB3 PRO 70 OK 15 97 - 16 - 3.6/1273=6, 8320/1.8=2 HA LEU 93 + HB3 PRO 70 OK 12 81 - 14 - 8320/1.8=5, 8321/2.3=2...(7) HB THR 116 - HB3 PRO 70 lone 9 97 - 9 - 8320/1.8=3, ~7984=1, 8321/2.3=1 HA PHE 40 - HB3 PRO 70 lone 6 76 - 9 - ~159=2, ~6739=2 HA SER 35 - HB3 PRO 70 lone 4 92 - 4 - 8320/1.8=1 Peak 8320 from cnoeabs.peaks (4.37, 2.24, 33.65 ppm; 4.13 A): 3 out of 7 assignments used, quality = 0.62: HA CYS 76 + HB2 PRO 70 OK 43 90 - 48 - 2.9/8318=12, 8319/1.8=9...(14) HA GLN 105 + HB2 PRO 70 OK 25 99 - 25 - 8319/1.8=5, 8321/2.3=3...(9) HA LEU 93 + HB2 PRO 70 OK 11 98 - 11 - 8319/1.8=2, 3.0/7253=1...(4) HA MET 11 - HB2 PRO 70 lone 8 99 - 8 - 8319/1.8=3, 8321/2.3=1 HB THR 116 - HB2 PRO 70 lone 7 100 - 7 - 4.2/1371=2, 8319/1.8=1 HA ASP 100 - HB2 PRO 70 lone 4 78 - 6 - 8319/1.8=2 HA SER 35 - HB2 PRO 70 lone 2 100 - 2 - Peak 8321 from cnoeabs.peaks (4.37, 2.35, 28.63 ppm; 5.02 A): 6 out of 28 assignments used, quality = 0.91: HA CYS 76 + HG2 PRO 70 OK 62 96 - 66 - 8320/2.3=19, 8319/2.3=14...(14) HA GLN 105 + HG2 PRO 70 OK 38 97 - 39 - 8320/2.3=11, 8319/2.3=7...(15) HA MET 11 + HB2 GLN 103 OK 36 75 - 49 - 1840/1.8=8, ~1852=6...(15) HA GLN 105 + HB2 GLN 103 OK 21 70 - 30 - ~7781=11, ~7766=11...(6) HA MET 11 + HG2 PRO 70 OK 15 100 - 15 - 8319/2.3=5, 8320/2.3=4...(4) HA LEU 93 + HG2 PRO 70 OK 13 95 - 14 - 8320/2.3=5, 8319/2.3=2, ~7253=1 HB THR 116 - HG2 PRO 70 lone 9 100 - 9 - 8320/2.3=3, 8319/2.3=2 HA CYS 76 - HB2 GLU 82 lone 9 92 - 10 - 6100/4.3=3, 8320/3813=1 HA CYS 76 - HB3 GLU 82 lone 9 92 - 10 - 6100/4.3=3, 8320/3813=1 HA ASP 100 - HG2 PRO 70 lone 7 87 - 9 - 8319/2.3=3, 8320/2.3=2 HA ASP 100 - HB2 GLN 103 poor 7 59 - 12 - 1737/4.0=7, 2.9/789=1 HA SER 35 - HB2 GLN 103 lone 7 72 - 10 - 3.6/4724=4, 5538/4.0=3, ~7771=2 HA SER 35 - HG2 PRO 70 lone 4 99 - 4 - 8320/2.3=1 HA GLN 105 - HB3 GLU 82 lone 3 94 - 4 - HA GLN 105 - HB2 GLU 82 lone 3 94 - 4 - HA LEU 93 - HB3 GLU 82 lone 3 91 - 3 - HA LEU 93 - HB2 GLU 82 lone 3 91 - 3 - HB THR 116 - HB3 GLU 82 lone 3 98 - 3 - HB THR 116 - HB2 GLU 82 lone 3 98 - 3 - HB THR 116 - HB2 GLN 103 lone 3 75 - 4 - 1737/4.0=2 HA CYS 76 - HB2 GLN 103 lone 3 67 - 4 - 1737/4.0=1 HA MET 11 - HB3 GLU 82 lone 3 98 - 3 - HA MET 11 - HB2 GLU 82 lone 3 98 - 3 - HA ASP 100 - HB3 GLU 82 lone 2 82 - 3 - HA ASP 100 - HB2 GLU 82 lone 2 82 - 3 - HA LEU 93 - HB2 GLN 103 lone 2 66 - 3 - HA SER 35 - HB3 GLU 82 lone 1 96 - 1 - HA SER 35 - HB2 GLU 82 lone 1 96 - 1 - Peak 8322 from cnoeabs.peaks (4.18, 3.61, 49.41 ppm; 5.22 A): 3 out of 7 assignments used, quality = 0.88: HA PRO 68 + HD2 PRO 70 OK 73 100 - 73 - 7225/1.8=30, 3.6/7244=24...(13) HA GLU 56 + HD2 PRO 70 OK 48 93 - 52 - 7024/3.6=10, 3265/3.0=6...(17) HA SER 78 + HD2 PRO 70 OK 13 92 - 14 - 3.6/1663=5, 3.0/6095=2...(5) HA GLU 28 - HD2 PRO 70 poor 8 71 - 11 - 320/4.8=1, 3.0/8327=1 HA ARG 92 - HD2 PRO 70 lone 6 100 - 7 - 320/4.8=2 HA3 GLY 61 - HD2 PRO 70 lone 5 97 - 6 - ~282=2, ~280=1 HA LEU 126 - HD2 PRO 70 lone 3 68 - 4 - Peak 8323 from cnoeabs.peaks (2.84, 3.61, 49.41 ppm; 5.14 A): 3 out of 10 assignments used, quality = 0.98: HB2 ASN 79 + HD2 PRO 70 OK 91 100 - 91 - 3.5/7275=17, ~7278=16...(32) HB2 TYR 67 + HD2 PRO 70 OK 51 100 - 51 - 7242/4.8=9, 7461/2.3=7...(16) HB3 TYR 67 + HD2 PRO 70 OK 51 100 - 51 - 7242/4.8=9, 7461/2.3=7...(16) HB2 CYS 76 - HD2 PRO 70 OK 36 71 - 51 - ~8320=10, ~8319=8...(12) HB3 PHE 107 - HD2 PRO 70 OK 19 100 - 18 - 7259/3.0=3, 4.4/4783=3...(9) HB2 ASN 99 - HD2 PRO 70 OK 15 100 - 15 - 7461/2.3=2, 7259/3.0=2 HE3 LYS 119 - HD2 PRO 70 lone 9 87 - 10 - 7.3/1791=2 HE2 LYS 119 - HD2 PRO 70 lone 8 85 - 10 - 7.3/1791=2 HB2 ASP 36 - HD2 PRO 70 lone 7 100 - 7 - 7461/2.3=2, 7259/3.0=1 HG CYS 52 - HD2 PRO 70 lone 5 99 - 5 - Peak 8325 from cnoeabs.peaks (1.94, 3.46, 49.41 ppm; 4.64 A): 1 out of 17 assignments used, quality = 0.98: HB3 GLU 69 + HD3 PRO 70 OK 98 99 - 98 - 4.8=89, 3.0/7266=24...(21) HB2 GLU 38 - HD3 PRO 70 OK 32 100 - 32 - 1.8/3800=3, ~3793=3...(20) HB2 LEU 21 - HD3 PRO 70 OK 32 97 - 33 - 3.8/1560=5, 1.8/5977=5...(12) HB ILE 80 - HD3 PRO 70 OK 26 92 - 29 - 4070/1.8=3, ~7264=3...(13) HB3 PRO 30 - HD3 PRO 70 OK 18 97 - 18 - 3768/4.8=3, 3762/3.8=3...(6) HB ILE 22 - HD3 PRO 70 OK 14 63 - 23 - 3.2/6440=6, 3.9/1566=4...(7) HB2 GLU 64 - HD3 PRO 70 OK 14 100 - 14 - 3.0/7248=2, 3762/3.8=1...(5) HB3 GLU 64 - HD3 PRO 70 OK 14 100 - 14 - 3.0/7248=2, 3762/3.8=1...(5) HB3 MET 11 - HD3 PRO 70 OK 10 81 - 12 - ~8319=2, ~8320=2...(4) HG LEU 58 - HD3 PRO 70 lone 7 100 - 7 - HB3 GLU 94 - HD3 PRO 70 lone 6 90 - 7 - HB2 ARG 81 - HD3 PRO 70 lone 5 60 - 9 - 1.8/3800=1 HB3 LYS 119 - HD3 PRO 70 lone 5 99 - 5 - HB2 LYS 109 - HD3 PRO 70 lone 5 100 - 5 - 1103/4.8=1 HB2 ARG 85 - HD3 PRO 70 lone 4 97 - 4 - HB3 ARG 85 - HD3 PRO 70 lone 4 97 - 4 - HB3 GLU 73 - HD3 PRO 70 lone 3 68 - 4 - Peak 8326 from cnoeabs.peaks (1.84, 3.46, 49.41 ppm; 4.82 A): 1 out of 12 assignments used, quality = 0.97: HB2 GLU 69 + HD3 PRO 70 OK 97 97 - 100 - 4.8=100 HG3 PRO 68 - HD3 PRO 70 OK 38 71 - 54 - 3.8/7225=19, 324/4.8=9...(18) HG LEU 41 - HD3 PRO 70 OK 36 97 - 37 - ~7264=6, 8327/1.8=5...(14) HG13 ILE 63 - HD3 PRO 70 OK 28 76 - 36 - 8327/1.8=3, ~7262=3...(21) HB3 GLN 105 - HD3 PRO 70 OK 28 71 - 39 - 7252=7, ~8320=5...(17) HG12 ILE 22 - HD3 PRO 70 OK 26 100 - 26 - 2.1/6440=7, 5.0/1566=3...(9) HG3 ARG 53 - HD3 PRO 70 OK 19 90 - 21 - 8327/1.8=2, 3156/2.3=2...(11) HB3 GLU 28 - HD3 PRO 70 poor 8 71 - 12 - 324/4.8=2, 8327/1.8=1, ~8322=1 HG3 GLU 73 - HD3 PRO 70 lone 6 100 - 6 - HG2 GLU 73 - HD3 PRO 70 lone 6 100 - 6 - HB2 LEU 58 - HD3 PRO 70 lone 4 65 - 6 - HB3 LYS 109 - HD3 PRO 70 lone 4 81 - 5 - 324/4.8=1 Peak 8327 from cnoeabs.peaks (1.85, 3.61, 49.41 ppm; 4.87 A): 2 out of 13 assignments used, quality = 0.96: HB2 GLU 69 + HD2 PRO 70 OK 93 93 - 100 - 4.8=100 HG3 PRO 68 + HD2 PRO 70 OK 42 81 - 52 - 3.8/8322=12, 324/4.8=11...(18) HG LEU 41 - HD2 PRO 70 OK 34 92 - 37 - ~7264=6, 2.1/7262=5...(13) HG13 ILE 63 - HD2 PRO 70 OK 24 65 - 37 - 2.1/7262=4, 8326/1.8=4...(21) HB3 GLN 105 - HD2 PRO 70 OK 23 60 - 38 - 7252/1.8=6, ~8320=5...(16) HG12 ILE 22 - HD2 PRO 70 OK 22 100 - 22 - ~6440=6, 8326/1.8=3...(8) HG3 ARG 53 - HD2 PRO 70 OK 18 83 - 21 - 8326/1.8=3, 3.0/3793=2...(11) HB3 GLU 28 - HD2 PRO 70 poor 10 81 - 12 - 324/4.8=2, 3.0/8322=2 HG3 GLU 73 - HD2 PRO 70 lone 6 99 - 6 - HG2 GLU 73 - HD2 PRO 70 lone 6 98 - 6 - HB2 LEU 58 - HD2 PRO 70 lone 5 76 - 7 - 324/4.8=1 HB3 LYS 109 - HD2 PRO 70 lone 4 89 - 5 - 324/4.8=1 HB2 ARG 92 - HD2 PRO 70 lone 4 65 - 6 - 324/4.8=2, 3.0/8322=1 Peak 8328 from cnoeabs.peaks (2.58, 2.04, 28.63 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.51: HB3 ASP 47 + HG3 PRO 70 OK 51 95 - 54 - 1.8/6872=23, ~6871=14...(9) HB3 ASP 97 - HG3 PRO 70 lone 2 71 - 3 - 3016/6872=2 HE2 LYS 65 - HG3 PRO 70 lone 2 85 - 2 - Peak 8329 from cnoeabs.peaks (7.19, 3.58, 59.35 ppm; 4.49 A): 3 out of 4 assignments used, quality = 0.88: QD TYR 67 + HA GLU 75 OK 77 97 - 80 - 2.2/4693=27, 4686=25...(20) QD PHE 107 + HA GLU 75 OK 33 100 - 33 - 8552/3.6=6, 8332/3.0=6...(11) H LYS 65 + HA GLU 75 OK 21 71 - 30 - 3.0/6094=7, 8332/3.0=4...(11) HE ARG 81 - HA GLU 75 lone 6 99 - 6 - 8552/3.6=1, 8332/3.0=1 Peak 8330 from cnoeabs.peaks (6.79, 3.58, 59.35 ppm; 4.32 A): 3 out of 5 assignments used, quality = 0.87: QE TYR 67 + HA GLU 75 OK 78 100 - 78 - 4693=31, 2.2/4686=20...(16) HH2 TRP 20 + HA GLU 75 OK 30 100 - 30 - 8337/3.6=5, 4664/3.6=4...(8) H VAL 110 + HA GLU 75 OK 15 100 - 15 - 8337/3.6=2, 7364/6095=1...(8) HD22 ASN 99 - HA GLU 75 poor 9 60 - 15 - 1.7/6098=4, 7683/3.6=3...(4) HE21 GLN 42 - HA GLU 75 poor 9 65 - 13 - 4.4/6013=2, 6.5/6093=2...(5) Peak 8331 from cnoeabs.peaks (7.21, 1.81, 35.98 ppm; 4.85 A): 5 out of 18 assignments used, quality = 0.95: QD TYR 67 + HG2 GLU 75 OK 79 98 - 81 - 2.2/4697=21, 4686/3.6=18...(16) QD TYR 102 + HG2 GLU 75 OK 34 93 - 36 - 2.2/4758=9, 4747/1.8=6...(10) QD TYR 102 + HG2 GLU 73 OK 31 59 - 52 - 2.2/4758=13, ~7293=10...(9) QD TYR 102 + HG3 GLU 73 OK 30 57 - 52 - 2.2/4758=12, ~7293=10...(9) H LYS 65 + HG2 GLU 75 OK 29 100 - 29 - ~7167=6, 8333/3.0=5...(10) QD PHE 107 - HG2 GLU 75 OK 29 81 - 35 - 8552/1.8=6, 8332/3.0=6...(11) QE PHE 40 - HG2 GLU 75 lone 6 97 - 6 - HE ARG 81 - HG2 GLU 73 poor 6 38 - 15 - ~4118=2, ~4119=2...(7) HE ARG 81 - HG3 GLU 73 poor 6 36 - 15 - ~4118=2, ~4119=2...(7) HE ARG 81 - HG2 GLU 75 lone 5 65 - 7 - 8552/1.8=1, 8332/3.0=1 QD TYR 67 - HG2 GLU 73 lone 4 65 - 6 - QD TYR 67 - HG3 GLU 73 lone 4 63 - 6 - QD PHE 107 - HG2 GLU 73 lone 3 49 - 6 - QE PHE 40 - HG2 GLU 73 lone 3 63 - 5 - H LYS 65 - HG2 GLU 73 lone 3 68 - 4 - QD PHE 107 - HG3 GLU 73 lone 3 47 - 6 - QE PHE 40 - HG3 GLU 73 lone 3 61 - 5 - H LYS 65 - HG3 GLU 73 lone 3 65 - 4 - Peak 8332 from cnoeabs.peaks (7.20, 1.45, 30.37 ppm; 4.86 A): 2 out of 6 assignments used, quality = 0.95: QD TYR 67 + HB3 GLU 75 OK 91 100 - 91 - 4686/3.0=20, ~4693=17...(22) QD PHE 107 + HB3 GLU 75 OK 43 98 - 44 - 8329/3.0=8, 8552/3.0=7...(10) H LYS 65 - HB3 GLU 75 OK 33 89 - 37 - 8333/1.8=5, 8329/3.0=5...(9) QD TYR 102 - HB3 GLU 75 OK 25 68 - 37 - 8333/1.8=6, ~4758=5...(11) HE ARG 81 - HB3 GLU 75 lone 8 92 - 9 - 8329/3.0=2, 8552/3.0=2 QE PHE 40 - HB3 GLU 75 lone 4 76 - 6 - 8333/1.8=1 Peak 8333 from cnoeabs.peaks (7.21, 1.78, 30.37 ppm; 5.20 A): 2 out of 6 assignments used, quality = 0.95: QD TYR 67 + HB2 GLU 75 OK 92 98 - 93 - 4686/3.0=21, ~4693=19...(25) QD TYR 102 + HB2 GLU 75 OK 41 93 - 44 - 4747/3.0=6, ~4758=6...(12) H LYS 65 - HB2 GLU 75 OK 37 100 - 37 - 8332/1.8=6, ~7167=5...(11) QD PHE 107 - HB2 GLU 75 OK 35 81 - 44 - 8332/1.8=8, 8329/3.0=6...(11) QE PHE 40 - HB2 GLU 75 lone 7 97 - 7 - 2.2/4666=1 HE ARG 81 - HB2 GLU 75 lone 5 65 - 8 - 8332/1.8=2, 8552/3.0=1 Peak 8334 from cnoeabs.peaks (9.11, 1.45, 30.37 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.81: H ARG 71 + HB3 GLU 75 OK 81 97 - 84 - 8335/1.8=38, 8336/4.0=28...(13) Peak 8335 from cnoeabs.peaks (9.10, 1.78, 30.37 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.79: H ARG 71 + HB2 GLU 75 OK 79 100 - 79 - 8334/1.8=39, 8336/4.0=28...(10) Peak 8337 from cnoeabs.peaks (6.80, 1.81, 35.98 ppm; 5.26 A): 3 out of 9 assignments used, quality = 0.89: QE TYR 67 + HG2 GLU 75 OK 81 97 - 84 - 4693/3.6=26, 4697=24...(12) HH2 TRP 20 + HG2 GLU 75 OK 38 99 - 38 - 8330/3.6=8, 4664/1.8=7...(9) H VAL 110 + HG2 GLU 75 OK 11 97 - 12 - 8330/3.6=4, 8553/1.8=2 HH2 TRP 20 - HG2 GLU 73 lone 5 67 - 7 - ~7292=2, ~7293=1 HH2 TRP 20 - HG3 GLU 73 lone 4 65 - 7 - ~7292=2, ~7293=1 QE TYR 67 - HG2 GLU 73 lone 4 63 - 6 - 4693/3967=1 QE TYR 67 - HG3 GLU 73 lone 3 61 - 5 - H VAL 110 - HG2 GLU 73 lone 2 64 - 4 - H VAL 110 - HG3 GLU 73 lone 2 62 - 4 - Peak 8338 from cnoeabs.peaks (7.80, 4.36, 62.51 ppm; 4.84 A): 0 out of 5 assignments used, low quality = 0.21: HD21 ASN 99 - HA CYS 76 OK 12 73 - 16 - 3.5/6101=4, ~3988=2...(6) H LEU 45 - HA CYS 76 OK 10 89 - 11 - ~7331=4, ~7332=4, 4.6/1604=3 HD21 ASN 106 - HA CYS 76 lone 10 99 - 10 - 3.5/7805=4, 3.5/7806=3 H GLY 25 - HA CYS 76 lone 6 93 - 7 - 4.7/6099=3, ~1646=1, 83/1655=1 H ILE 124 - HA CYS 76 lone 2 81 - 3 - Peak 8339 from cnoeabs.peaks (1.25, 2.82, 27.90 ppm; 5.24 A): 3 out of 8 assignments used, quality = 0.51: HG LEU 77 + HB2 CYS 76 OK 30 95 - 32 - 1142/4.7=17, 4760/7329=5...(6) QD1 ILE 80 + HB2 CYS 76 OK 19 78 - 24 - 7416=7, 7394/4.7=5...(6) QG2 ILE 80 + HB2 CYS 76 OK 14 81 - 17 - 3.2/7416=7, 7754/7329=2...(5) QG2 THR 19 - HB2 CYS 76 lone 8 97 - 8 - 6379/7331=1, 1142/4.7=1 QG2 THR 116 - HB2 CYS 76 lone 7 76 - 10 - 2.1/3983=2, 8171/4.7=2...(4) HG3 LYS 32 - HB2 CYS 76 lone 7 93 - 7 - 1142/4.7=3 HG13 ILE 124 - HB2 CYS 76 lone 6 99 - 6 - 1142/4.7=2, 7323/4.0=1 HB3 LEU 24 - HB2 CYS 76 lone 5 63 - 9 - 1142/4.7=4, 7323/4.0=2 Peak 8340 from cnoeabs.peaks (2.16, 3.84, 57.64 ppm; 5.42 A): 4 out of 6 assignments used, quality = 0.77: HG12 ILE 80 + HA LEU 77 OK 55 100 - 56 - 5.1/6107=15, 3.0/6108=12...(11) HB VAL 115 + HA LEU 77 OK 22 76 - 28 - 4.0/6107=7, ~7978=5...(8) HB3 GLU 15 + HA LEU 77 OK 20 76 - 26 - ~6319=5, 4.0/805=3...(11) HB2 PRO 30 + HA LEU 77 OK 17 73 - 23 - 3.9/3990=5, 5513/3.0=3...(8) HG2 GLU 69 - HA LEU 77 lone 7 97 - 7 - 387/6110=1 HB VAL 49 - HA LEU 77 lone 3 65 - 5 - Peak 8341 from cnoeabs.peaks (7.79, 2.84, 37.82 ppm; 4.94 A): 3 out of 15 assignments used, quality = 0.80: H GLY 48 + HB2 ASN 79 OK 56 78 - 71 - ~7374=16, ~6887=15...(14) H GLY 48 + HB2 TYR 67 OK 32 77 - 42 - 3.0/6888=8, 6876=7...(9) H GLY 48 + HB3 TYR 67 OK 32 77 - 42 - 3.0/6888=8, 6876=7...(9) H LEU 45 - HB3 TYR 67 lone 7 99 - 7 - 1605/4.8=2, 1605/4.8=2 H LEU 45 - HB2 TYR 67 lone 7 99 - 7 - 1605/4.8=2, 1605/4.8=2 H LEU 45 - HB2 ASN 79 lone 5 100 - 5 - H ILE 124 - HB3 TYR 67 lone 4 97 - 4 - ~4684=1 H ILE 124 - HB2 TYR 67 lone 4 97 - 4 - ~4684=1 H ILE 124 - HB2 ASN 79 lone 4 98 - 4 - H GLY 25 - HB2 ASN 79 lone 4 68 - 5 - 83/3.5=2 HD21 ASN 106 - HB2 ASN 79 lone 2 85 - 3 - H GLY 25 - HB2 TYR 67 lone 2 67 - 3 - H GLY 25 - HB3 TYR 67 lone 2 67 - 3 - HD21 ASN 106 - HB3 TYR 67 lone 2 84 - 2 - HD21 ASN 106 - HB2 TYR 67 lone 2 84 - 2 - Peak 8342 from cnoeabs.peaks (1.42, 1.27, 14.08 ppm; 3.42 A): 8 out of 12 assignments used, quality = 0.95: QB ALA 98 + QD1 ILE 80 OK 61 100 - 61 - 7665=13, 2.1/7671=9...(20) HB3 LEU 101 + QD1 ILE 80 OK 52 83 - 63 - 3.1/7418=9, 3.1/7706=8...(22) HB2 LEU 51 + QD1 ILE 80 OK 28 100 - 28 - 3.1/6932=4, 7400/3.2=4...(10) HG LEU 59 + QD1 ILE 80 OK 21 89 - 24 - 2.1/4102=3, 3416/2.1=2...(10) HB2 LEU 27 + QD1 ILE 80 OK 17 78 - 21 - 1.8/7418=4, ~8347=2...(8) HB VAL 110 + QD1 ILE 80 OK 16 71 - 22 - 3.0/7415=6, 2.1/8345=4...(6) HB3 LEU 91 + QD1 ILE 80 OK 14 97 - 14 - 7400/3.2=2, 3.1/8368=2...(4) QB ALA 89 + QD1 ILE 80 OK 13 81 - 16 - 7665=2, 7400/3.2=2...(6) QB ALA 122 - QD1 ILE 80 lone 9 99 - 9 - 7400/3.2=1, 7665=1 HB2 LEU 111 - QD1 ILE 80 poor 8 60 - 13 - ~7402=1, 3.0/8379=1...(4) HD3 LYS 65 - QD1 ILE 80 lone 4 73 - 5 - HD2 LYS 65 - QD1 ILE 80 lone 4 73 - 5 - Peak 8343 from cnoeabs.peaks (2.08, 1.27, 14.08 ppm; 3.89 A): 6 out of 15 assignments used, quality = 0.94: HB2 LEU 101 + QD1 ILE 80 OK 57 81 - 71 - 3.1/7418=12, 3.1/7706=10...(20) HB2 LEU 114 + QD1 ILE 80 OK 38 100 - 39 - 4.6/4097=7, 5893/4.9=5...(14) HG LEU 21 + QD1 ILE 80 OK 37 100 - 38 - 2.1/8344=13, ~6411=4...(12) HB2 GLU 15 + QD1 ILE 80 OK 30 99 - 31 - 3.0/7411=4, 1.8/4101=4...(14) HB3 ARG 81 + QD1 ILE 80 OK 30 65 - 46 - 4.0/5744=18, 1.8/7438=5...(14) HG3 GLU 69 + QD1 ILE 80 OK 30 96 - 31 - 1.8/4101=5, 3787/2.1=3...(13) HB3 PRO 70 - QD1 ILE 80 OK 14 71 - 20 - ~7264=2, 3.0/4098=2...(5) HB3 GLN 16 - QD1 ILE 80 lone 10 100 - 10 - 3.0/6323=3, ~6323=1 HB2 GLN 16 - QD1 ILE 80 lone 10 100 - 10 - 3.0/6323=3, ~6323=1 HB ILE 63 - QD1 ILE 80 poor 10 92 - 11 - ~7402=1, 3.0/7413=1 HB2 ARG 57 - QD1 ILE 80 lone 9 99 - 9 - HB3 GLU 38 - QD1 ILE 80 lone 5 85 - 6 - HG2 GLU 64 - QD1 ILE 80 lone 5 99 - 5 - HB2 GLN 105 - QD1 ILE 80 lone 4 100 - 4 - HG3 PRO 37 - QD1 ILE 80 lone 3 60 - 5 - 2.3/7412=2, 3.8/7413=1 Peak 8344 from cnoeabs.peaks (0.66, 1.27, 14.08 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.66: QD1 LEU 21 + QD1 ILE 80 OK 40 100 - 40 - 2.1/8343=5, ~6411=5...(16) QD1 LEU 45 + QD1 ILE 80 OK 35 97 - 36 - 2.1/7419=11, 4.7/7395=6...(10) QD2 LEU 24 + QD1 ILE 80 OK 14 99 - 14 - 6463/3209=2, 8208/3.2=1 Peak 8345 from cnoeabs.peaks (0.14, 1.27, 14.08 ppm; 5.24 A): 3 out of 3 assignments used, quality = 0.97: QD2 LEU 84 + QD1 ILE 80 OK 83 100 - 83 - 7404/3.2=18, 8356=18...(29) QG1 VAL 110 + QD1 ILE 80 OK 61 100 - 61 - 3.2/7415=12, 7404/3.2=12...(18) QD2 LEU 51 + QD1 ILE 80 OK 57 89 - 64 - 7404/3.2=13, ~7403=13...(18) Peak 8346 from cnoeabs.peaks (0.58, 0.87, 29.65 ppm; 5.38 A): 4 out of 4 assignments used, quality = 0.86: QD2 LEU 77 + HG13 ILE 80 OK 62 97 - 64 - 7424/3.0=21, 7419/2.1=20...(9) QG1 VAL 50 + HG13 ILE 80 OK 36 89 - 41 - 7424/3.0=10, 7419/2.1=10...(10) QG1 VAL 26 + HG13 ILE 80 OK 25 60 - 41 - ~7403=9, 7405/5.1=7...(10) QD2 LEU 45 + HG13 ILE 80 OK 22 60 - 37 - ~8344=14, 7419/2.1=10...(6) Peak 8347 from cnoeabs.peaks (1.02, 0.87, 29.65 ppm; 4.40 A): 4 out of 5 assignments used, quality = 0.94: QD2 LEU 101 + HG13 ILE 80 OK 73 95 - 77 - 8444/1.8=20, 7418/2.1=16...(19) QD1 LEU 58 + HG13 ILE 80 OK 43 89 - 49 - 7063/2.1=8, 7063/3.2=7...(19) QG1 VAL 120 + HG13 ILE 80 OK 40 96 - 42 - 8048/2.1=11, 8048/3.2=10...(9) QD2 LEU 58 + HG13 ILE 80 OK 33 71 - 46 - ~7063=6, 3.1/7056=6...(19) HB3 LEU 27 - HG13 ILE 80 OK 30 96 - 31 - 7418/2.1=5, 7401/3.2=4...(13) Peak 8348 from cnoeabs.peaks (1.01, 2.16, 29.65 ppm; 4.92 A): 4 out of 21 assignments used, quality = 0.96: QD2 LEU 101 + HG12 ILE 80 OK 71 89 - 80 - 8444=22, 7418/2.1=17...(16) QD1 LEU 58 + HG12 ILE 80 OK 49 95 - 52 - 7063/2.1=10, 8347/1.8=9...(16) QD1 LEU 101 + HG12 ILE 80 OK 49 60 - 82 - 2.1/8444=22, ~7418=13...(18) QG1 VAL 120 + HG12 ILE 80 OK 43 90 - 48 - 8048/2.1=11, 8048/3.2=10...(9) QD2 LEU 58 - HG12 ILE 80 OK 40 81 - 50 - ~7063=7, 8347/1.8=7...(17) HB3 LEU 27 - HG12 ILE 80 OK 32 99 - 32 - 8347/1.8=6, 7418/2.1=5...(11) QG1 VAL 18 - HB3 GLU 15 OK 18 31 - 58 - ~6319=14, 6320/3.0=10...(14) HB3 LEU 27 - HB2 GLU 73 OK 15 62 - 24 - 8484/2.9=3, 8484/2.9=3...(11) QD2 LEU 101 - HB3 GLU 15 OK 14 52 - 27 - ~6320=5, 4681/1.8=3...(10) QD1 LEU 101 - HB3 GLU 15 poor 8 32 - 23 - 6320/3.0=4, ~8187=2...(9) QD1 LEU 58 - HB3 GLU 15 lone 5 58 - 9 - ~6320=2, 6320/3.0=1 QD2 LEU 101 - HB2 GLU 73 lone 4 52 - 7 - 8444=2 QD2 LEU 58 - HB3 GLU 15 lone 3 46 - 8 - ~6320=2, 6320/3.0=2 QD1 LEU 58 - HB2 GLU 73 lone 3 57 - 6 - QG1 VAL 18 - HG12 ILE 80 lone 3 57 - 5 - QG1 VAL 120 - HB3 GLU 15 lone 3 54 - 6 - 8061/3.0=1 QG1 VAL 120 - HB2 GLU 73 lone 2 53 - 4 - QD2 LEU 58 - HB2 GLU 73 lone 2 45 - 4 - HB3 LEU 27 - HB3 GLU 15 lone 2 63 - 3 - QD1 LEU 101 - HB2 GLU 73 lone 2 32 - 6 - 2.1/8444=2 QG1 VAL 18 - HB2 GLU 73 lone 1 30 - 3 - Peak 8349 from cnoeabs.peaks (4.22, 0.87, 29.65 ppm; 5.60 A): 5 out of 11 assignments used, quality = 0.94: HA3 GLY 48 + HG13 ILE 80 OK 67 78 - 85 - ~6883=21, 6889/1.8=17...(14) HB THR 19 + HG13 ILE 80 OK 41 76 - 54 - ~7411=6, ~6376=5...(19) HA VAL 26 + HG13 ILE 80 OK 38 100 - 39 - ~7403=8, 3.2/8346=6...(11) HA ILE 22 + HG13 ILE 80 OK 30 97 - 30 - ~6430=7, ~6432=6...(12) HA LEU 58 + HG13 ILE 80 OK 27 63 - 43 - 3.0/7056=9, 4.0/8347=8...(14) HA ALA 89 - HG13 ILE 80 OK 21 89 - 24 - 2.1/7565=4, ~7563=3...(10) HA THR 17 - HG13 ILE 80 lone 9 98 - 9 - 7407/5.1=2, 8512/4.0=1 HA VAL 66 - HG13 ILE 80 lone 8 97 - 9 - ~7420=2 HA LEU 126 - HG13 ILE 80 lone 8 89 - 9 - 2.9/1425=1, 4.3/5409=1 HA CYS 52 - HG13 ILE 80 lone 7 100 - 7 - HA SER 13 - HG13 ILE 80 lone 6 97 - 6 - ~7394=1 Peak 8350 from cnoeabs.peaks (4.24, 2.16, 29.65 ppm; 5.39 A): 2 out of 39 assignments used, quality = 0.94: HA3 GLY 48 + HG12 ILE 80 OK 88 99 - 88 - 6889=24, 1.8/6883=24...(14) HB THR 19 + HG12 ILE 80 OK 56 99 - 56 - 8351/3.2=7, 2013/2.1=7...(20) HA LEU 58 - HG12 ILE 80 OK 34 96 - 35 - ~7056=7, 4.0/8348=4...(14) HB THR 19 - HB3 GLU 15 OK 29 64 - 46 - 6373/3.0=10, 6374/1.8=8...(10) HA VAL 26 - HG12 ILE 80 OK 29 81 - 36 - ~7403=8, 8349/1.8=5...(12) HA ALA 89 - HG12 ILE 80 OK 24 100 - 24 - ~7565=3, 8512/4.0=3...(11) HA THR 17 - HB3 GLU 15 OK 23 64 - 36 - 1536/4.6=7, ~5959=6...(11) HA ILE 22 - HG12 ILE 80 OK 19 68 - 28 - ~6430=6, ~6432=5...(12) HA VAL 26 - HB2 GLU 73 OK 14 45 - 30 - ~3908=4, ~6510=4...(13) HA THR 17 - HG12 ILE 80 OK 11 99 - 11 - 7407/5.1=2, 8512/4.0=2...(4) HA3 GLY 48 - HB3 GLU 15 poor 9 64 - 15 - 1.8/6883=3, 6889=3...(4) HA ILE 22 - HB2 GLU 73 poor 9 37 - 25 - ~2151=3, 2144/2.9=3...(12) HA GLU 64 - HG12 ILE 80 lone 8 87 - 9 - 8351/3.2=1 HA SER 13 - HB3 GLU 15 poor 8 38 - 20 - 5944/4.6=7, 8182/3.0=3...(7) HA GLU 94 - HG12 ILE 80 poor 7 57 - 12 - ~7615=5, 8351/3.2=2...(5) HA ALA 122 - HG12 ILE 80 poor 6 57 - 11 - ~8342=2, ~7400=1...(4) HA VAL 26 - HB3 GLU 15 poor 6 46 - 13 - 5944/4.6=6, 8182/3.0=1 HA VAL 66 - HG12 ILE 80 lone 5 65 - 7 - ~7420=2 HA GLU 64 - HB3 GLU 15 lone 5 51 - 9 - ~1077=1 HA3 GLY 48 - HB2 GLU 73 lone 5 63 - 7 - 3.6/990=1, 3.0/6877=1 HA CYS 52 - HG12 ILE 80 lone 4 83 - 5 - HA ILE 22 - HB3 GLU 15 poor 5 38 - 12 - ~1565=2, 5478/4.0=2...(5) HA ALA 89 - HB2 GLU 73 lone 4 65 - 7 - ~8536=1 HA CYS 52 - HB2 GLU 73 lone 4 47 - 8 - ~6079=2, ~6082=2 HA LEU 58 - HB2 GLU 73 lone 4 58 - 7 - ~7069=2 HA SER 13 - HG12 ILE 80 lone 4 68 - 5 - ~7394=1 HA LEU 58 - HB3 GLU 15 lone 3 59 - 5 - HB THR 19 - HB2 GLU 73 lone 3 63 - 5 - HA ALA 89 - HB3 GLU 15 lone 3 66 - 4 - HA SER 13 - HB2 GLU 73 lone 2 37 - 6 - ~6084=1 HA VAL 66 - HB2 GLU 73 lone 2 35 - 5 - ~7439=1 HA CYS 52 - HB3 GLU 15 lone 1 48 - 3 - 1536/4.6=1 HA THR 17 - HB2 GLU 73 lone 1 63 - 2 - HA GLU 64 - HB2 GLU 73 lone 1 50 - 3 - HA GLU 94 - HB3 GLU 15 lone 1 31 - 4 - HA VAL 66 - HB3 GLU 15 lone 1 36 - 3 - HA ALA 122 - HB2 GLU 73 lone 1 30 - 3 - HA ALA 122 - HB3 GLU 15 lone 1 31 - 3 - HA GLU 94 - HB2 GLU 73 lone 1 30 - 2 - Peak 8351 from cnoeabs.peaks (4.26, 1.27, 19.03 ppm; 4.72 A): 3 out of 9 assignments used, quality = 0.93: HA3 GLY 48 + QG2 ILE 80 OK 79 97 - 81 - 8423/3.2=18, 6889/3.2=13...(18) HB THR 19 + QG2 ILE 80 OK 55 98 - 56 - 2013=7, 3.0/7408=6...(24) HA LEU 58 + QG2 ILE 80 OK 31 100 - 31 - 4.0/7063=7, ~7056=4...(13) HA GLN 103 - QG2 ILE 80 OK 23 87 - 27 - ~7396=12, 2.9/7767=8, ~7767=6 HA ALA 89 - QG2 ILE 80 OK 19 92 - 21 - 2.1/7400=3, ~7563=3...(10) HA GLU 94 - QG2 ILE 80 OK 15 93 - 16 - 3.0/7615=6, 3.6/4076=2...(4) HA ALA 122 - QG2 ILE 80 poor 10 93 - 10 - 2.1/7400=2, ~7425=1 HA GLU 64 - QG2 ILE 80 lone 9 100 - 9 - HA THR 17 - QG2 ILE 80 poor 9 76 - 12 - 7407/4.0=2, 3.0/1367=1 Peak 8354 from cnoeabs.peaks (0.85, 4.15, 61.33 ppm; 3.87 A): 3 out of 9 assignments used, quality = 0.52: QD2 LEU 55 + HA PHE 83 OK 28 100 - 28 - 7017=9, 7004/3.7=5...(6) HG13 ILE 80 + HA PHE 83 OK 22 78 - 28 - 3.2/7410=8, ~7464=5...(7) HG13 ILE 22 + HA PHE 83 OK 15 98 - 15 - 3.2/8355=3, 5.0/6148=3...(5) QG1 VAL 115 - HA PHE 83 poor 9 89 - 11 - 2.1/8355=3, ~1682=1 QD1 LEU 93 - HA PHE 83 poor 9 87 - 11 - 4.7/4196=2, ~7466=1...(4) QD2 LEU 114 - HA PHE 83 lone 8 100 - 8 - QD1 LEU 59 - HA PHE 83 lone 6 100 - 6 - 7017=1 HB2 ASN 118 - HA PHE 83 lone 1 71 - 2 - QD2 LEU 126 - HA PHE 83 lone 1 71 - 1 - Peak 8355 from cnoeabs.peaks (0.94, 4.15, 61.33 ppm; 3.27 A): 7 out of 12 assignments used, quality = 0.73: QD1 ILE 63 + HA PHE 83 OK 35 99 - 35 - 3534=8, 7128/3.0=7...(10) QD1 LEU 55 + HA PHE 83 OK 16 100 - 17 - 2.1/8354=7, 7003/3.7=2...(4) QD2 LEU 27 + HA PHE 83 OK 14 96 - 15 - 6533/3.7=2, 7465/3.0=2...(6) QD1 LEU 41 + HA PHE 83 OK 14 100 - 14 - 4.3/6147=3, 7472/3.0=2...(5) QD1 LEU 27 + HA PHE 83 OK 13 98 - 14 - 7465/3.0=2, 4.8/5757=2...(6) QG2 ILE 22 + HA PHE 83 OK 13 97 - 14 - 3.2/8354=3, 4.0/6148=3...(4) QG2 ILE 124 + HA PHE 83 OK 10 76 - 14 - 5349=2, 2.1/5342=2...(6) QG2 VAL 115 - HA PHE 83 lone 9 97 - 9 - 2.1/8354=2, 7465/3.0=1 HB2 GLN 42 - HA PHE 83 lone 7 87 - 8 - 3.0/4193=2, 2828/3.0=1 QG2 VAL 49 - HA PHE 83 lone 2 92 - 3 - QD1 LEU 117 - HA PHE 83 lone 1 68 - 2 - QD1 LEU 126 - HA PHE 83 lone 1 65 - 1 - Peak 8356 from cnoeabs.peaks (1.26, 0.14, 20.83 ppm; 3.89 A): 3 out of 7 assignments used, quality = 0.91: QG2 ILE 80 + QD2 LEU 84 OK 70 100 - 70 - 7404=20, 7402/2.1=16...(23) QD1 ILE 80 + QD2 LEU 84 OK 64 100 - 64 - 3.2/7404=12, 8357/2.1=10...(20) QG2 THR 116 + QD2 LEU 84 OK 18 99 - 18 - 7989/2.1=5, 8359/2.1=4 HG3 LYS 32 - QD2 LEU 84 lone 8 100 - 8 - 8359/2.1=1, 8357/2.1=1 QG2 THR 19 - QD2 LEU 84 lone 8 99 - 8 - 8359/2.1=2, 6376/3.1=1 HG LEU 54 - QD2 LEU 84 lone 7 85 - 8 - 8357/2.1=1, 8359/2.1=1 HG13 ILE 124 - QD2 LEU 84 lone 4 73 - 6 - 3.2/7486=2 Peak 8357 from cnoeabs.peaks (1.27, 0.75, 25.87 ppm; 3.24 A): 6 out of 12 assignments used, quality = 0.86: QG2 ILE 80 + QD1 LEU 84 OK 55 100 - 55 - 7402=18, 7404/2.1=10...(16) QD1 ILE 80 + QD1 LEU 84 OK 44 100 - 44 - 3.2/7402=9, 8356/2.1=8...(11) QG2 THR 116 + QD1 LEU 84 OK 17 100 - 17 - 7989=5, 8356/2.1=2...(5) QG2 ILE 80 + QD1 LEU 114 OK 15 65 - 23 - 4081/2.1=3, 8514/3.1=2...(7) QD1 ILE 80 + QD1 LEU 114 OK 13 65 - 20 - 4102/2.1=4, 8343/3.1=3...(8) HG LEU 54 + QD1 LEU 114 OK 12 60 - 20 - ~6985=2, ~5090=2, 3204=2...(10) HG3 LYS 32 - QD1 LEU 84 lone 5 97 - 5 - 8356/2.1=1 QG2 THR 116 - QD1 LEU 114 lone 5 65 - 7 - 7989=2, 4.3/8002=1, 7988/2.1=1 HG LEU 54 - QD1 LEU 84 lone 5 97 - 5 - QG2 THR 19 - QD1 LEU 84 lone 4 93 - 5 - 8356/2.1=1 HG3 LYS 32 - QD1 LEU 114 lone 1 60 - 1 - QG2 THR 19 - QD1 LEU 114 lone 1 56 - 1 - Peak 8359 from cnoeabs.peaks (1.26, 1.89, 26.06 ppm; 4.33 A): 3 out of 8 assignments used, quality = 0.88: QG2 ILE 80 + HG LEU 84 OK 63 99 - 64 - 7402/2.1=17, 7404/2.1=17...(20) QD1 ILE 80 + HG LEU 84 OK 58 98 - 59 - 8356/2.1=15, 8357/2.1=11...(19) QG2 THR 116 + HG LEU 84 OK 20 97 - 21 - 7989/2.1=5, 8356/2.1=4...(5) QG2 THR 19 - HG LEU 84 lone 9 100 - 9 - 6376=2, 8356/2.1=2...(4) HG3 LYS 32 - HG LEU 84 lone 8 100 - 8 - 8356/2.1=2, 8357/2.1=1 HG LEU 54 - HG LEU 84 lone 6 76 - 8 - 8356/2.1=2, 8357/2.1=1 HG LEU 77 - HG LEU 84 lone 5 68 - 7 - 5.0/4253=1 HG13 ILE 124 - HG LEU 84 lone 3 83 - 4 - ~7486=1 Peak 8360 from cnoeabs.peaks (3.00, 1.42, 18.97 ppm; 5.39 A): 5 out of 21 assignments used, quality = 0.83: HB3 TYR 102 + QB ALA 98 OK 48 100 - 48 - 6182/4.5=26, 4.0/7655=9...(7) HA VAL 110 + QB ALA 98 OK 42 89 - 47 - 3.2/7668=11, 6213/2.1=5...(17) HB2 ASN 12 + QB ALA 98 OK 25 90 - 27 - ~8419=14, 6182/4.5=6...(4) HE3 LYS 109 + QB ALA 98 OK 14 68 - 21 - ~8592=5, 8592/2.9=4...(7) HE2 LYS 109 + QB ALA 98 OK 14 68 - 21 - ~8592=5, 8592/2.9=4...(7) HA VAL 110 - QB ALA 89 poor 8 53 - 15 - 6217/2.9=5, 3.2/7668=3...(4) HA VAL 110 - QB ALA 122 poor 5 46 - 10 - ~627=2, 3.2/7668=2, ~1402=1 HB3 TYR 102 - QB ALA 89 lone 4 66 - 7 - 4.0/7655=1 HB3 TYR 102 - QB ALA 122 lone 3 58 - 5 - 2.5/4744=1 HE3 LYS 31 - QB ALA 98 lone 3 60 - 5 - HE2 LYS 31 - QB ALA 98 lone 3 60 - 5 - HB2 ASN 12 - QB ALA 89 lone 2 54 - 3 - HE2 LYS 31 - QB ALA 89 lone 1 33 - 3 - HE3 LYS 31 - QB ALA 89 lone 1 33 - 3 - HB2 ASN 12 - QB ALA 122 lone 1 47 - 2 - HE3 LYS 109 - QB ALA 89 lone 1 38 - 2 - HE2 LYS 109 - QB ALA 89 lone 1 38 - 2 - HE3 LYS 109 - QB ALA 122 lone 1 33 - 2 - HE2 LYS 109 - QB ALA 122 lone 1 33 - 2 - HE3 LYS 31 - QB ALA 122 lone 1 28 - 2 - HE2 LYS 31 - QB ALA 122 lone 1 28 - 2 - Peak 8361 from cnoeabs.peaks (3.19, 1.42, 18.97 ppm; 5.33 A): 2 out of 15 assignments used, quality = 0.51: HD2 ARG 81 + QB ALA 98 OK 37 97 - 38 - 5.9/7659=15, 4.7/7435=10...(6) HB3 PHE 83 + QB ALA 98 OK 23 85 - 28 - 4.0/8662=6, 4.5/7655=6...(9) HD3 ARG 71 - QB ALA 98 lone 9 100 - 9 - 2.9/7656=2, 4144/7659=1 HD2 ARG 81 - QB ALA 89 poor 7 61 - 12 - 5.9/7659=4, 4.7/7435=3 HA GLN 42 - QB ALA 98 lone 7 76 - 9 - ~6203=2 HB3 PHE 83 - QB ALA 89 poor 6 50 - 12 - 4204/4.8=4, 4.0/8662=2...(4) HD2 ARG 81 - QB ALA 122 lone 4 53 - 7 - 5.9/7659=2, 4.7/7435=2 HD2 ARG 53 - QB ALA 98 lone 3 93 - 4 - HD3 ARG 71 - QB ALA 89 lone 3 66 - 4 - HA GLN 42 - QB ALA 89 lone 2 43 - 5 - ~1764=1 HD2 ARG 53 - QB ALA 89 lone 2 57 - 3 - HB3 PHE 83 - QB ALA 122 lone 2 43 - 4 - HD3 ARG 71 - QB ALA 122 lone 1 57 - 2 - HA GLN 42 - QB ALA 122 lone 1 37 - 3 - HD2 ARG 53 - QB ALA 122 lone 1 49 - 2 - Peak 8362 from cnoeabs.peaks (1.03, 1.74, 44.63 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.97: QG1 VAL 120 + HB2 LEU 91 OK 88 100 - 88 - 8370/3.1=18, 8364/1.8=18...(18) QD2 LEU 101 + HB2 LEU 91 OK 74 100 - 74 - 8364/1.8=15, 8373/3.1=10...(25) QD1 LEU 58 - HB2 LEU 91 OK 27 63 - 42 - 8370/3.1=7, 8373/3.1=5...(18) HB3 LEU 27 - HB2 LEU 91 OK 22 76 - 28 - 8370/3.1=4, 8364/1.8=4...(11) HB3 LEU 21 - HB2 LEU 91 poor 9 83 - 11 - 8364/1.8=2, ~8197=1, 8373/3.1=1 QG2 THR 33 - HB2 LEU 91 lone 2 78 - 3 - Peak 8363 from cnoeabs.peaks (1.11, 1.74, 44.63 ppm; 5.36 A): 3 out of 4 assignments used, quality = 0.96: QG2 VAL 120 + HB2 LEU 91 OK 87 96 - 91 - 8369/3.1=23, 8365/1.8=21...(21) QD2 LEU 117 + HB2 LEU 91 OK 45 73 - 61 - 8369/3.1=12, 8365/1.8=11...(25) QG2 THR 62 + HB2 LEU 91 OK 37 100 - 37 - 8365/1.8=9, 7118/4.0=7...(10) QG2 VAL 50 - HB2 LEU 91 OK 10 73 - 13 - 8365/1.8=3, 8369/3.1=2...(5) Peak 8364 from cnoeabs.peaks (1.03, 1.43, 44.63 ppm; 5.07 A): 2 out of 6 assignments used, quality = 0.97: QG1 VAL 120 + HB3 LEU 91 OK 88 100 - 88 - 2.1/8365=19, ~8369=16...(19) QD2 LEU 101 + HB3 LEU 91 OK 74 100 - 74 - 8362/1.8=13, 8373/3.1=10...(26) HB3 LEU 27 - HB3 LEU 91 OK 18 65 - 28 - 8362/1.8=4, 8370/3.1=4...(10) HB3 LEU 21 - HB3 LEU 91 OK 11 90 - 13 - 3.1/8197=2, 8362/1.8=2, 6405=1 HG13 ILE 34 - HB3 LEU 91 lone 3 60 - 6 - ~6652=3, ~6649=1 QG2 THR 33 - HB3 LEU 91 lone 2 87 - 3 - Peak 8365 from cnoeabs.peaks (1.11, 1.43, 44.63 ppm; 5.04 A): 3 out of 4 assignments used, quality = 0.96: QG2 VAL 120 + HB3 LEU 91 OK 88 99 - 89 - 8369/3.1=23, 8363/1.8=18...(19) QD2 LEU 117 + HB3 LEU 91 OK 48 83 - 58 - 8369/3.1=13, 8372/3.1=9...(21) QG2 THR 62 + HB3 LEU 91 OK 37 99 - 37 - 8363/1.8=8, 8369/3.1=6...(13) QG2 VAL 50 - HB3 LEU 91 OK 11 83 - 13 - 8363/1.8=2, 8369/3.1=2...(6) Peak 8366 from cnoeabs.peaks (1.12, 1.49, 26.38 ppm; 4.94 A): 4 out of 16 assignments used, quality = 0.99: QG2 VAL 120 + HG LEU 91 OK 90 100 - 90 - 8369/2.1=26, 8372/2.1=19...(17) QG2 VAL 120 + HG LEU 93 OK 69 90 - 77 - 8378/2.1=23, 7605/2.1=13...(20) QD2 LEU 117 + HG LEU 91 OK 52 90 - 58 - 8369/2.1=14, 8372/2.1=10...(20) QD2 LEU 117 + HG LEU 93 OK 45 77 - 59 - 7998/5.3=14, 8378/2.1=14...(18) QG2 THR 62 - HG LEU 91 OK 31 97 - 32 - 8369/2.1=7, 8365/3.0=6...(7) QG2 THR 62 - HG LEU 93 OK 30 86 - 35 - 8378/2.1=12, ~7607=6...(7) QG2 VAL 50 - HG LEU 91 OK 11 90 - 12 - 8369/2.1=2, 8365/3.0=2...(4) QG2 VAL 50 - HG LEU 93 lone 5 77 - 7 - 8378/2.1=1 QD2 LEU 117 - HG3 ARG 92 lone 3 37 - 8 - 7998/4.0=2, 7998/455=2 QD2 LEU 117 - HG2 ARG 92 lone 3 35 - 8 - 7998/4.0=2, 7998/455=1 QG2 VAL 120 - HG3 ARG 92 lone 2 46 - 5 - QG2 VAL 120 - HG2 ARG 92 lone 2 43 - 5 - QG2 THR 62 - HG3 ARG 92 lone 2 43 - 5 - QG2 THR 62 - HG2 ARG 92 lone 2 40 - 4 - QG2 VAL 50 - HG3 ARG 92 lone 2 37 - 5 - QG2 VAL 50 - HG2 ARG 92 lone 2 35 - 5 - Peak 8367 from cnoeabs.peaks (1.01, 1.49, 26.38 ppm; 4.39 A): 5 out of 36 assignments used, quality = 0.95: QG1 VAL 120 + HG LEU 91 OK 57 71 - 80 - 8370/2.1=18, ~8369=16...(17) QD1 LEU 58 + HG LEU 93 OK 46 90 - 52 - 7062/3.0=6, 3385=4...(24) QD1 LEU 101 + HG LEU 91 OK 42 83 - 51 - ~8370=7, ~8364=6...(17) QG1 VAL 120 + HG LEU 93 OK 41 59 - 71 - ~8378=15, 8049/2.1=9...(18) QD2 LEU 58 + HG LEU 93 OK 41 83 - 49 - 6367/3.0=5, 8420/2.1=4...(23) QD1 LEU 58 - HG LEU 91 OK 39 100 - 39 - 8370/2.1=7, ~8420=5...(16) QD2 LEU 58 - HG LEU 91 OK 35 96 - 36 - 8420/2.1=6, ~8370=5...(15) QD2 LEU 101 - HG LEU 91 OK 31 68 - 45 - 8370/2.1=9, 8373/2.1=7...(15) HB3 LEU 27 - HG LEU 93 OK 26 91 - 29 - 8481/2.1=4, ~8482=3...(10) HB3 LEU 27 - HG LEU 91 OK 21 100 - 21 - 8370/2.1=4, 8373/2.1=2...(8) QD1 LEU 101 - HG LEU 93 OK 14 70 - 20 - 8743/5.3=4, ~7713=4, 8445/3.0=4 QD1 LEU 58 - HG3 ARG 92 OK 13 46 - 28 - 3384/3.0=2, ~8404=2...(15) QD2 LEU 101 - HG LEU 93 OK 13 56 - 22 - 7713/2.1=4, 7726/5.3=4...(5) QD2 LEU 58 - HG3 ARG 92 OK 12 41 - 30 - 8404/3.0=3, 3377/3.0=2...(17) QD1 LEU 58 - HG2 ARG 92 OK 12 43 - 28 - 3384/3.0=2, ~8404=2...(16) QD2 LEU 58 - HG2 ARG 92 OK 11 38 - 30 - 8404/3.0=3, 3377/3.0=2...(18) HG3 LYS 65 - HG LEU 93 poor 8 59 - 13 - ~7610=2, ~7600=2, ~7169=1 HG2 LYS 65 - HG LEU 93 poor 8 59 - 13 - ~7610=2, ~7600=2, ~7169=1 HG3 LYS 65 - HG LEU 91 lone 6 71 - 9 - HG2 LYS 65 - HG LEU 91 lone 6 71 - 9 - QG1 VAL 18 - HG LEU 93 lone 6 68 - 8 - 8420/2.1=1, 6349/5.3=1, ~8398=1 QG1 VAL 18 - HG LEU 91 lone 4 81 - 4 - HB3 LEU 27 - HG3 ARG 92 lone 2 46 - 3 - HB3 LEU 27 - HG2 ARG 92 lone 1 43 - 3 - QG1 VAL 18 - HG3 ARG 92 lone 1 32 - 4 - QD1 LEU 101 - HG3 ARG 92 lone 1 33 - 4 - QG1 VAL 18 - HG2 ARG 92 lone 1 29 - 4 - QD1 LEU 101 - HG2 ARG 92 lone 1 30 - 4 - QD2 LEU 101 - HG3 ARG 92 lone 1 25 - 4 - QD2 LEU 101 - HG2 ARG 92 lone 1 24 - 3 - QG1 VAL 120 - HG3 ARG 92 lone 1 27 - 3 - QG1 VAL 120 - HG2 ARG 92 lone 1 25 - 3 - HG2 LYS 65 - HG3 ARG 92 lone 1 27 - 2 - HG3 LYS 65 - HG3 ARG 92 lone 1 27 - 2 - HG2 LYS 65 - HG2 ARG 92 lone 1 25 - 2 - HG3 LYS 65 - HG2 ARG 92 lone 1 25 - 2 - Peak 8368 from cnoeabs.peaks (1.24, 0.82, 22.64 ppm; 3.89 A): 0 out of 9 assignments used, low quality = 0.42: QG2 THR 116 - QD2 LEU 91 OK 26 68 - 38 - 4.3/7590=6, 7988=5...(11) HB3 LEU 24 - QD2 LEU 91 OK 12 71 - 16 - 3.0/4403=2, 2210/2.1=2 QG2 ILE 80 - QD2 LEU 91 OK 12 73 - 16 - 7402/2.1=3, 7400/3.1=2 QD1 ILE 80 - QD2 LEU 91 poor 9 71 - 12 - ~7402=2, 8342/3.1=1, 7418/8370=1 HG LEU 77 - QD2 LEU 91 lone 8 97 - 8 - 4014/3.1=1 QG2 THR 19 - QD2 LEU 91 lone 5 93 - 6 - 8421/3.9=1 HG3 LYS 32 - QD2 LEU 91 lone 4 89 - 4 - HG13 ILE 124 - QD2 LEU 91 lone 4 100 - 4 - HG2 LYS 32 - QD2 LEU 91 lone 2 63 - 3 - Peak 8369 from cnoeabs.peaks (1.12, 0.82, 22.64 ppm; 3.32 A): 3 out of 4 assignments used, quality = 0.85: QG2 VAL 120 + QD2 LEU 91 OK 70 100 - 70 - 2.1/8370=15, 8052=14...(18) QD2 LEU 117 + QD2 LEU 91 OK 38 96 - 40 - 8372/2.1=6, 8554=6...(15) QG2 THR 62 + QD2 LEU 91 OK 19 93 - 20 - 8372/2.1=3, 8365/3.1=3...(7) QG2 VAL 50 - QD2 LEU 91 lone 6 96 - 6 - 8372/2.1=1 Peak 8370 from cnoeabs.peaks (1.02, 0.82, 22.64 ppm; 3.17 A): 5 out of 5 assignments used, quality = 0.84: QG1 VAL 120 + QD2 LEU 91 OK 61 95 - 64 - 2.1/8369=16, 8050=13...(17) QD2 LEU 101 + QD2 LEU 91 OK 30 93 - 33 - 8373/2.1=5, 3.1/4403=4...(12) QD1 LEU 58 + QD2 LEU 91 OK 22 90 - 24 - 2.1/8420=5, 8373/2.1=3...(8) QD2 LEU 58 + QD2 LEU 91 OK 15 73 - 20 - 8420=3, 4.9/7590=2...(6) HB3 LEU 27 + QD2 LEU 91 OK 13 97 - 14 - 8373/2.1=2, 1.8/8482=1...(4) Peak 8371 from cnoeabs.peaks (1.36, 0.74, 26.35 ppm; 3.70 A): 5 out of 18 assignments used, quality = 0.78: HB3 LEU 93 + QD1 LEU 91 OK 54 76 - 71 - 3.1/4510=8, 3.0/4475=7...(38) HB2 LEU 111 + QD1 LEU 91 OK 25 57 - 44 - 5002/2.1=4, ~5009=4...(23) QG2 THR 121 + QD1 LEU 91 OK 16 89 - 18 - 8085=6, 8087/8372=2...(5) HG2 LYS 31 + QD1 LEU 91 OK 15 97 - 16 - 2427/3.1=2, 2.9/4409=2...(4) HB3 LEU 59 + QD1 LEU 91 OK 12 96 - 12 - 3408/2.1=1 HB2 LEU 111 - QD1 LEU 114 poor 9 24 - 38 - 3.0/4996=4, ~8418=4...(18) HG2 LYS 46 - QD1 LEU 114 poor 9 26 - 34 - 7959/2.1=5, ~7959=5...(13) HG3 LYS 46 - QD1 LEU 114 poor 9 26 - 34 - 7959/2.1=5, ~7959=5...(13) HB3 LEU 59 - QD1 LEU 114 poor 7 48 - 14 - 3408/2.1=4, ~3401=1...(5) HB3 LEU 93 - QD1 LEU 114 poor 7 34 - 20 - ~7598=2, 4490/2.1=2...(7) QG2 THR 17 - QD1 LEU 114 poor 5 26 - 20 - 6336=5, 7959/2.1=4...(7) HG2 LYS 46 - QD1 LEU 91 lone 3 60 - 6 - HG3 LYS 46 - QD1 LEU 91 lone 3 60 - 6 - QB ALA 43 - QD1 LEU 114 lone 3 33 - 8 - 7959/2.1=2, 6808/2.1=1 QG2 THR 121 - QD1 LEU 114 lone 3 42 - 6 - 8085=2 QB ALA 43 - QD1 LEU 91 lone 2 73 - 3 - QG2 THR 17 - QD1 LEU 91 lone 2 60 - 3 - HG2 LYS 31 - QD1 LEU 114 lone 1 49 - 2 - Peak 8372 from cnoeabs.peaks (1.12, 0.74, 26.35 ppm; 3.55 A): 5 out of 8 assignments used, quality = 0.91: QG2 VAL 120 + QD1 LEU 91 OK 74 100 - 74 - 8369/2.1=19, 8053=14...(18) QD2 LEU 117 + QD1 LEU 91 OK 40 96 - 42 - 8369/2.1=10, 8365/3.1=4...(15) QD2 LEU 117 + QD1 LEU 114 OK 22 48 - 47 - 7960/2.1=18, 7941/4.0=9...(13) QG2 THR 62 + QD1 LEU 91 OK 21 93 - 22 - 8369/2.1=5, 8365/3.1=3...(6) QG2 VAL 120 + QD1 LEU 114 OK 12 54 - 22 - 7960/2.1=8, 7941/4.0=3...(4) QG2 THR 62 - QD1 LEU 114 poor 8 46 - 16 - 7960/2.1=9, ~7104=2...(4) QG2 VAL 50 - QD1 LEU 91 lone 7 96 - 7 - 8369/2.1=2 QG2 VAL 50 - QD1 LEU 114 lone 3 48 - 5 - 7960/2.1=2 Peak 8373 from cnoeabs.peaks (1.03, 0.74, 26.35 ppm; 3.83 A): 5 out of 12 assignments used, quality = 0.92: QG1 VAL 120 + QD1 LEU 91 OK 76 100 - 76 - 8370/2.1=18, 8049=15...(16) QD2 LEU 101 + QD1 LEU 91 OK 45 99 - 46 - 8370/2.1=9, 8364/3.1=7...(17) QD1 LEU 58 + QD1 LEU 91 OK 23 73 - 31 - 8370/2.1=6, ~8420=4...(12) HB3 LEU 27 + QD1 LEU 91 OK 16 85 - 18 - 8370/2.1=4, 8362/3.1=2...(6) QD2 LEU 101 + QD1 LEU 114 OK 10 52 - 20 - 7713/2.1=6, 4681/3.1=2...(5) QG1 VAL 120 - QD1 LEU 114 poor 9 53 - 17 - ~7960=5, 2.1/8372=2...(4) HB3 LEU 21 - QD1 LEU 91 lone 5 73 - 6 - 8364/3.1=1 HB3 LEU 21 - QD1 LEU 114 poor 4 33 - 12 - ~6411=3, ~5086=1, 2116/3.1=1 QD1 LEU 58 - QD1 LEU 114 poor 3 33 - 10 - ~7056=2, ~5087=1 HB3 LEU 27 - QD1 LEU 114 lone 2 40 - 6 - 8481/2.1=1 QG2 THR 33 - QD1 LEU 91 lone 1 68 - 1 - QG2 THR 33 - QD1 LEU 114 lone 0 30 - 1 - Peak 8374 from cnoeabs.peaks (2.27, 0.82, 22.64 ppm; 4.29 A): 3 out of 7 assignments used, quality = 0.88: HB2 CYS 87 + QD2 LEU 91 OK 66 100 - 67 - 7540=11, 8375/2.1=11...(18) HB VAL 120 + QD2 LEU 91 OK 60 73 - 82 - 2.1/8369=24, 2.1/8370=20...(18) HG3 GLU 94 + QD2 LEU 91 OK 10 100 - 10 - 4.9/464=4, 8375/2.1=2 HG3 GLN 105 - QD2 LEU 91 lone 9 99 - 9 - 8375/2.1=1, 4.1/8376=1, ~8375=1 HG2 GLN 105 - QD2 LEU 91 lone 9 98 - 9 - 8375/2.1=1, 4.1/8376=1, ~8375=1 HG2 GLU 56 - QD2 LEU 91 lone 3 63 - 5 - ~7026=1 HG3 GLU 15 - QD2 LEU 91 lone 2 76 - 3 - Peak 8375 from cnoeabs.peaks (2.27, 0.74, 26.35 ppm; 4.82 A): 4 out of 14 assignments used, quality = 0.92: HB2 CYS 87 + QD1 LEU 91 OK 73 100 - 74 - 8374/2.1=18, 3.0/7588=11...(18) HB VAL 120 + QD1 LEU 91 OK 63 73 - 86 - 2.1/8372=19, ~8369=19...(18) HG3 GLU 94 + QD1 LEU 91 OK 13 100 - 13 - 4.9/463=4, 8374/2.1=3 HB2 CYS 87 + QD1 LEU 114 OK 12 53 - 23 - ~7533=3, 7540/2.1=3...(7) HG3 GLN 105 - QD1 LEU 91 lone 10 99 - 10 - 8374/2.1=2, ~8374=2 HG2 GLN 105 - QD1 LEU 91 lone 10 98 - 10 - 8374/2.1=2, ~8374=2 HG3 GLU 94 - QD1 LEU 114 poor 8 53 - 16 - ~7958=3, ~5088=1...(6) HB VAL 120 - QD1 LEU 114 poor 7 33 - 21 - ~7960=8, 2.1/8372=3...(6) HG2 GLU 56 - QD1 LEU 91 lone 5 63 - 9 - 4.9/7030=2, 1.8/7026=1, 7025=1 HG3 GLU 15 - QD1 LEU 91 lone 3 76 - 4 - HG3 GLN 105 - QD1 LEU 114 lone 2 51 - 5 - HG2 GLN 105 - QD1 LEU 114 lone 2 50 - 5 - HG3 GLU 15 - QD1 LEU 114 lone 2 34 - 6 - HG2 GLU 56 - QD1 LEU 114 lone 1 27 - 3 - 4.9/7030=2 Peak 8376 from cnoeabs.peaks (4.40, 0.82, 22.64 ppm; 4.81 A): 4 out of 6 assignments used, quality = 0.87: HA LEU 93 + QD2 LEU 91 OK 75 87 - 86 - 3.0/7589=15, 4476=10...(30) HB THR 116 + QD2 LEU 91 OK 27 60 - 46 - 2.1/8368=15, 4.2/7590=10...(11) HA THR 121 + QD2 LEU 91 OK 16 97 - 17 - ~8085=4, 8066/8370=2...(4) HA SER 35 + QD2 LEU 91 OK 14 73 - 19 - 3.0/6291=4, ~6290=3...(9) HA GLN 105 - QD2 LEU 91 lone 8 81 - 10 - 4.1/8374=2, 4.1/8374=2 HA LYS 32 - QD2 LEU 91 lone 6 73 - 8 - 3.8/8368=2 Peak 8377 from cnoeabs.peaks (1.27, 0.83, 25.26 ppm; 3.06 A): 3 out of 7 assignments used, quality = 0.69: QG2 THR 116 + QD1 LEU 93 OK 55 100 - 56 - 7988=15, 7989/2.1=10...(18) QG2 ILE 80 + QD1 LEU 93 OK 19 100 - 19 - 7402/2.1=5, 7392/4.7=2...(5) QD1 ILE 80 + QD1 LEU 93 OK 14 100 - 14 - 8379/2.1=2, ~7402=2...(5) HG13 ILE 124 - QD1 LEU 93 poor 9 63 - 14 - 7608/3.1=2, 7609/3.1=2...(6) HG3 LYS 32 - QD1 LEU 93 lone 5 99 - 5 - QG2 THR 19 - QD1 LEU 93 lone 5 97 - 5 - HG LEU 54 - QD1 LEU 93 lone 4 92 - 4 - Peak 8378 from cnoeabs.peaks (1.11, 0.83, 25.26 ppm; 3.13 A): 3 out of 4 assignments used, quality = 0.79: QG2 VAL 120 + QD1 LEU 93 OK 56 99 - 57 - 8052=12, 8053/2.1=8...(16) QD2 LEU 117 + QD1 LEU 93 OK 34 83 - 41 - 3.8/7607=8, 8554=7...(13) QG2 THR 62 + QD1 LEU 93 OK 29 99 - 29 - 7117=8, 3.2/7607=4...(8) QG2 VAL 50 - QD1 LEU 93 lone 3 83 - 4 - Peak 8379 from cnoeabs.peaks (1.26, 0.76, 24.83 ppm; 3.21 A): 9 out of 24 assignments used, quality = 0.89: QG2 THR 116 + QD2 LEU 93 OK 54 93 - 58 - 8377/2.1=15, 7989=15...(17) QG2 ILE 80 + QD2 LEU 93 OK 25 96 - 26 - 7402=8, 8377/2.1=5...(7) QG2 THR 116 + HG LEU 111 OK 18 75 - 24 - 7989=6, 7989/2.1=3...(8) QD1 ILE 80 + QD2 LEU 93 OK 18 95 - 19 - 3.2/7402=4, 8377/2.1=4...(6) QG2 ILE 80 + HG LEU 111 OK 16 77 - 20 - 7402=6, 7402/2.1=3, 4.4/7431=1 HG13 ILE 124 + QD2 LEU 93 OK 15 90 - 17 - 7608/3.1=3, 7609/3.1=3...(8) QG2 THR 116 + QD2 LEU 111 OK 15 67 - 22 - 7989=5, 7989/2.1=4...(7) QG2 ILE 80 + QD2 LEU 111 OK 13 70 - 19 - 7402=4, 7402/2.1=4 HG LEU 77 + HG LEU 111 OK 10 60 - 17 - 4013/3.0=3, ~7345=2...(6) QD1 ILE 80 - HG LEU 111 poor 10 76 - 13 - 3.2/7402=3 HG LEU 77 - QD2 LEU 111 poor 9 53 - 16 - 4013/3.1=2, ~7345=1...(5) QD1 ILE 80 - QD2 LEU 111 poor 8 68 - 12 - 3.2/7402=2, ~7402=1 HG13 ILE 124 - HG LEU 111 lone 6 71 - 8 - ~8120=1, ~8115=1 QG2 THR 19 - QD2 LEU 93 lone 5 100 - 5 - 8377/2.1=1 HG13 ILE 124 - QD2 LEU 111 lone 5 64 - 7 - ~8120=1 HG3 LYS 32 - QD2 LEU 93 lone 4 100 - 4 - 8377/2.1=1 HG3 LYS 32 - HG LEU 111 lone 4 84 - 5 - 2529/3.0=1 QG2 THR 19 - HG LEU 111 lone 4 85 - 4 - HG3 LYS 32 - QD2 LEU 111 lone 3 76 - 4 - 2529/3.1=1 QG2 THR 19 - QD2 LEU 111 lone 3 77 - 3 - HG LEU 54 - QD2 LEU 93 lone 2 65 - 3 - HG LEU 54 - HG LEU 111 lone 1 49 - 3 - HG LEU 77 - QD2 LEU 93 lone 1 78 - 2 - HG LEU 54 - QD2 LEU 111 lone 1 43 - 2 - Peak 8380 from cnoeabs.peaks (7.85, 0.97, 21.16 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.88: H GLY 88 + QG2 THR 95 OK 58 96 - 61 - 4.2/8529=31, 7552=19...(8) H ASN 79 + QG2 THR 95 OK 55 97 - 57 - 3.0/4551=10, 1152/2.1=9...(10) H PHE 83 + QG2 THR 95 OK 35 100 - 35 - 4.6/7620=6, 4.0/7628=6...(11) HD21 ASN 99 - QG2 THR 95 lone 7 81 - 9 - 4.4/4551=1, 672/3.2=1 Peak 8383 from cnoeabs.peaks (3.00, 7.27, 133.92 ppm; 4.88 A): 3 out of 7 assignments used, quality = 0.94: HA VAL 110 + QD PHE 96 OK 88 92 - 95 - 3.2/4715=40, 7852=21...(22) HE2 LYS 109 + QD PHE 96 OK 28 59 - 48 - 8384/4.4=10, 3.0/7849=9...(9) HE3 LYS 109 + QD PHE 96 OK 28 59 - 48 - 8384/4.4=10, 3.0/7849=9...(9) HB3 TYR 102 - QD PHE 96 OK 24 100 - 24 - 4703/2.2=4, ~4697=3...(10) HB2 ASN 12 - QD PHE 96 OK 14 94 - 15 - 3.5/4703=3, 4986/4715=2...(5) HE2 LYS 31 - QD PHE 96 lone 5 67 - 8 - 4986/4715=2, ~4717=1 HE3 LYS 31 - QD PHE 96 lone 5 67 - 8 - 4986/4715=2, ~4717=1 Peak 8390 from cnoeabs.peaks (6.76, 3.71, 46.42 ppm; 5.33 A): 1 out of 4 assignments used, quality = 0.77: HE21 GLN 42 + HA2 GLY 104 OK 77 99 - 77 - 6797=34, ~7779=28...(8) HZ PHE 107 - HA2 GLY 104 lone 7 100 - 7 - 7778/3.0=5 H LEU 27 - HA2 GLY 104 lone 4 100 - 4 - 7778/3.0=2 HD22 ASN 99 - HA2 GLY 104 lone 3 100 - 3 - 7778/3.0=1 Peak 8391 from cnoeabs.peaks (3.65, 1.21, 24.60 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.72: HA LEU 41 + QG2 VAL 18 OK 64 100 - 65 - 6748=18, 4.1/8266=13...(9) HA LYS 46 + QG2 VAL 18 OK 20 97 - 21 - 6859/2.1=3, 3.0/8401=2...(9) HA ILE 80 - QG2 VAL 18 lone 8 96 - 9 - 2806/8266=1 Peak 8392 from cnoeabs.peaks (4.14, 1.21, 24.60 ppm; 4.26 A): 6 out of 12 assignments used, quality = 0.87: HA PRO 37 + QG2 VAL 18 OK 72 100 - 72 - 6672=17, 6673/8395=14...(13) HA PHE 83 + QG2 VAL 18 OK 18 100 - 18 - 3.7/6351=4, 3.6/8405=3...(5) HA GLU 28 + QG2 VAL 18 OK 18 93 - 19 - 3.0/8405=3, 3.6/1996=2...(5) HA ILE 63 + QG2 VAL 18 OK 13 99 - 13 - 3.7/8400=2, 3.0/8402=1 HA ILE 124 + QG2 VAL 18 OK 12 100 - 12 - 3.0/8401=2, 8196/2.1=1 HA ALA 98 + QG2 VAL 18 OK 11 99 - 11 - 6201=2, 6203/4.3=1 HA ASN 108 - QG2 VAL 18 lone 9 100 - 9 - 6201=2, 6203/4.3=1 HB3 SER 78 - QG2 VAL 18 lone 8 89 - 10 - 3.9/368=3 HB2 SER 113 - QG2 VAL 18 lone 8 98 - 9 - 7931/2.1=2, ~7936=1 HA SER 78 - QG2 VAL 18 lone 7 73 - 9 - 2.9/368=4 HA GLU 56 - QG2 VAL 18 lone 4 71 - 6 - HB3 SER 72 - QG2 VAL 18 lone 2 100 - 2 - Peak 8393 from cnoeabs.peaks (4.33, 1.21, 24.60 ppm; 4.53 A): 3 out of 4 assignments used, quality = 0.84: HB THR 17 + QG2 VAL 18 OK 59 100 - 59 - 44/4.0=22, ~8461=11...(14) HA PHE 40 + QG2 VAL 18 OK 56 99 - 57 - 3.7/6351=25...(8) HA ASP 100 + QG2 VAL 18 OK 13 85 - 15 - 4565/6351=3, 44/4.0=2...(5) HA CYS 76 - QG2 VAL 18 poor 9 71 - 12 - 3.6/1140=4 Peak 8394 from cnoeabs.peaks (6.77, 1.21, 24.60 ppm; 5.19 A): 7 out of 7 assignments used, quality = 0.90: HZ PHE 107 + QG2 VAL 18 OK 49 95 - 52 - 4777=11, 2.2/4793=9...(13) H LEU 27 + QG2 VAL 18 OK 46 97 - 47 - 4.1/8216=7, 4.4/8397=6...(17) HE21 GLN 42 + QG2 VAL 18 OK 28 100 - 28 - 6789/2.1=4, ~6792=3...(9) HH2 TRP 20 + QG2 VAL 18 OK 21 68 - 31 - 2.5/6352=7, ~6353=7...(8) H VAL 110 + QG2 VAL 18 OK 20 78 - 25 - 7884=6, 4.7/1340=4...(5) QE TYR 67 + QG2 VAL 18 OK 13 81 - 17 - 2.2/6350=4, 4700/2.1=1, ~4690=1 HD22 ASN 99 + QG2 VAL 18 OK 10 100 - 10 - Peak 8395 from cnoeabs.peaks (0.50, 1.21, 24.60 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.87: QG2 ILE 34 + QG2 VAL 18 OK 87 100 - 87 - 3.0/8396=28, 8195/2.1=27...(19) Peak 8396 from cnoeabs.peaks (0.18, 1.21, 24.60 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 34 + QG2 VAL 18 OK 82 100 - 82 - 3.0/8395=31, 6650=26...(13) QD2 LEU 51 + QG2 VAL 18 OK 14 81 - 18 - 2607/8395=4, 4672/6351=2...(7) Peak 8397 from cnoeabs.peaks (0.91, 1.21, 24.60 ppm; 2.84 A): 7 out of 13 assignments used, quality = 0.90: QD1 LEU 41 + QG2 VAL 18 OK 46 87 - 53 - 8267=11, 2.1/8266=11...(14) QD2 LEU 41 + QG2 VAL 18 OK 38 71 - 53 - 8266=11, 2.1/8267=8...(14) QD2 LEU 27 + QG2 VAL 18 OK 32 98 - 33 - 6532/3.2=6, 2.1/8267=4...(11) QD1 LEU 27 + QG2 VAL 18 OK 30 96 - 31 - 8267=5, ~6532=3...(14) QG2 VAL 115 + QG2 VAL 18 OK 20 97 - 20 - 7978=7, 6354/4.0=2...(7) QG2 ILE 22 + QG2 VAL 18 OK 15 97 - 15 - ~6440=2, 6358/3.2=2...(6) HB2 GLN 42 + QG2 VAL 18 OK 12 100 - 12 - 1.8/8399=1, 4.4/8394=1 QG2 VAL 49 - QG2 VAL 18 lone 8 99 - 8 - 6906/3.2=1 QD1 LEU 117 - QG2 VAL 18 lone 6 100 - 6 - QD1 ILE 63 - QG2 VAL 18 lone 4 65 - 7 - 2.1/8400=1 QD1 LEU 55 - QG2 VAL 18 lone 4 81 - 5 - QD1 ILE 124 - QG2 VAL 18 lone 4 65 - 6 - QD1 LEU 126 - QG2 VAL 18 lone 2 99 - 2 - Peak 8398 from cnoeabs.peaks (1.45, 1.21, 24.60 ppm; 4.09 A): 9 out of 16 assignments used, quality = 0.92: HG LEU 24 + QG2 VAL 18 OK 59 100 - 59 - 2.1/6369=11, 2218=9...(17) QB ALA 14 + QG2 VAL 18 OK 31 93 - 34 - 6303=10, 2.1/6296=10...(5) HB3 LEU 45 + QG2 VAL 18 OK 24 100 - 24 - 3.1/6369=5, 6840/2.1=4...(7) HB3 LEU 101 + QG2 VAL 18 OK 24 96 - 25 - 3.1/2000=3, 4663/2.1=3...(12) HD2 LYS 46 + QG2 VAL 18 OK 17 99 - 17 - 5.2/8391=4, 3.5/8401=2 HG3 ARG 57 + QG2 VAL 18 OK 13 90 - 15 - 3.0/8400=2, 3.0/8402=1...(4) HD3 LYS 65 + QG2 VAL 18 OK 13 99 - 13 - 5.5/6350=2, 2.9/2000=2 HD2 LYS 65 + QG2 VAL 18 OK 13 99 - 13 - 5.5/6350=2, 2.9/2000=2 HB2 LEU 93 + QG2 VAL 18 OK 11 93 - 12 - 7610/2.1=2, 3.8/6351=1, ~7600=1 HB3 GLU 75 - QG2 VAL 18 lone 9 100 - 9 - 3.0/8400=1 HG2 LYS 119 - QG2 VAL 18 lone 9 98 - 9 - 4.0/6361=1 HG3 LYS 31 - QG2 VAL 18 lone 5 96 - 5 - QB ALA 98 - QG2 VAL 18 lone 4 63 - 7 - 2.1/8392=2 QB ALA 89 - QG2 VAL 18 lone 3 97 - 3 - HB3 LEU 91 - QG2 VAL 18 lone 3 78 - 4 - HG2 LYS 109 - QG2 VAL 18 lone 2 60 - 3 - Peak 8399 from cnoeabs.peaks (1.65, 1.21, 24.60 ppm; 4.40 A): 3 out of 11 assignments used, quality = 0.98: HB ILE 34 + QG2 VAL 18 OK 80 100 - 80 - 2.1/8395=35, 3.2/8396=26...(10) HB3 LEU 41 + QG2 VAL 18 OK 77 97 - 80 - 3.0/8391=22, 3.1/8266=16...(17) HG LEU 27 + QG2 VAL 18 OK 53 99 - 53 - ~6532=9, 2.1/8397=7...(21) HB3 LYS 32 - QG2 VAL 18 OK 32 99 - 32 - 2509=5, 1.8/2499=4...(13) HB3 GLN 42 - QG2 VAL 18 OK 25 97 - 26 - 4.4/8394=3, 1.8/8397=3...(10) HG LEU 51 - QG2 VAL 18 OK 18 96 - 19 - 2.1/8396=5, 2603/8395=2...(6) HG LEU 101 - QG2 VAL 18 OK 16 65 - 25 - 2.1/2000=4, 3.0/8398=3...(9) HG3 ARG 85 - QG2 VAL 18 OK 13 100 - 13 - 2603/8395=1, 5.0/1996=1...(5) HD3 LYS 31 - QG2 VAL 18 lone 3 71 - 4 - HD2 LYS 31 - QG2 VAL 18 lone 3 71 - 4 - HB2 LEU 59 - QG2 VAL 18 lone 3 78 - 4 - Peak 8400 from cnoeabs.peaks (1.81, 1.21, 24.60 ppm; 3.66 A): 5 out of 14 assignments used, quality = 0.83: HG LEU 41 + QG2 VAL 18 OK 57 85 - 67 - 2.1/8266=16, 2.1/8267=12...(15) HB2 PRO 37 + QG2 VAL 18 OK 38 65 - 58 - 1.8/8403=11, 2.3/8392=10...(14) HB2 GLU 69 + QG2 VAL 18 OK 15 83 - 19 - 4.8/1997=4, 8404/2.1=2...(10) HB2 LYS 32 + QG2 VAL 18 OK 14 65 - 22 - 1.8/2509=4, 2499=3...(7) HB3 ARG 57 + QG2 VAL 18 OK 11 100 - 11 - 8404/2.1=2, 3.0/8398=1 HG13 ILE 63 - QG2 VAL 18 lone 9 99 - 10 - 3.7/8392=1 HB2 PRO 60 - QG2 VAL 18 lone 8 97 - 8 - HG3 ARG 53 - QG2 VAL 18 lone 7 93 - 7 - 4.0/6351=2 HG2 GLU 75 - QG2 VAL 18 lone 6 100 - 6 - HB3 ARG 92 - QG2 VAL 18 lone 4 99 - 4 - HB3 GLU 56 - QG2 VAL 18 lone 3 81 - 4 - HB3 GLN 105 - QG2 VAL 18 lone 3 100 - 3 - HG2 GLU 73 - QG2 VAL 18 lone 3 71 - 4 - HG3 GLU 73 - QG2 VAL 18 lone 3 68 - 4 - Peak 8401 from cnoeabs.peaks (1.97, 1.21, 24.60 ppm; 4.01 A): 7 out of 19 assignments used, quality = 0.89: HB2 LEU 41 + QG2 VAL 18 OK 70 97 - 72 - 3.0/8391=19, 3.1/8266=14...(15) HG LEU 45 + QG2 VAL 18 OK 24 100 - 24 - 2.1/6369=6, 3.0/8398=3...(9) HB2 MET 11 + QG2 VAL 18 OK 15 95 - 16 - 3.0/1998=2, ~1854=2...(7) HB ILE 124 + QG2 VAL 18 OK 15 97 - 15 - 3.0/8392=2, 5347/8266=1 HB2 LYS 46 + QG2 VAL 18 OK 12 71 - 18 - 3.0/8391=6, 3.5/8398=2...(6) HB3 GLU 69 + QG2 VAL 18 OK 12 60 - 20 - 4.8/1997=4, 1.8/8400=4...(9) HB3 GLN 103 + QG2 VAL 18 OK 12 97 - 12 - 4734/2.1=2, 1.8/1998=2...(4) HG2 PRO 60 - QG2 VAL 18 lone 7 83 - 8 - 2.3/8400=2, 1.8/8402=1 HB2 LEU 55 - QG2 VAL 18 poor 7 63 - 10 - 6746=1 HB3 PRO 68 - QG2 VAL 18 lone 6 97 - 6 - ~7225=2 HB3 ARG 85 - QG2 VAL 18 lone 6 71 - 9 - ~7494=2, 3.0/8399=1, 4.7/1996=1 HB2 ARG 85 - QG2 VAL 18 lone 6 71 - 9 - ~7494=2, 3.0/8399=1, 4.7/1996=1 HB3 PRO 30 - QG2 VAL 18 lone 6 71 - 8 - 6604/8396=2, 4832/6350=1 HB3 LYS 119 - QG2 VAL 18 lone 5 60 - 8 - 3.0/6361=1, 2.9/8398=1 HG LEU 114 - QG2 VAL 18 lone 4 99 - 5 - HG2 PRO 68 - QG2 VAL 18 lone 4 99 - 4 - HB2 ARG 71 - QG2 VAL 18 lone 2 100 - 2 - HB3 GLU 94 - QG2 VAL 18 lone 2 85 - 3 - HB2 GLU 94 - QG2 VAL 18 lone 2 71 - 3 - Peak 8402 from cnoeabs.peaks (2.06, 1.21, 24.60 ppm; 4.71 A): 4 out of 15 assignments used, quality = 0.95: HG3 PRO 37 + QG2 VAL 18 OK 68 99 - 69 - 2.3/8403=15, 1.8/8403=15...(11) HG3 PRO 70 + QG2 VAL 18 OK 58 89 - 65 - 2.3/1997=10, 1.8/1998=9...(18) HG LEU 21 + QG2 VAL 18 OK 42 71 - 60 - 2.1/6369=13, ~6417=11...(16) HB2 GLU 15 + QG2 VAL 18 OK 38 60 - 64 - 3.0/6319=20, ~6320=13...(16) HB2 GLN 16 - QG2 VAL 18 OK 25 81 - 31 - 4.1/6328=8, 3.0/6362=7...(7) HB3 GLN 16 - QG2 VAL 18 OK 24 78 - 30 - 4.1/6328=8, 3.0/6362=7...(7) HB2 ARG 57 - QG2 VAL 18 OK 17 93 - 19 - 1.8/8400=3, 3.0/8398=2...(6) HB ILE 63 - QG2 VAL 18 OK 16 99 - 16 - 3.0/8392=3, 3.0/8400=2 HG3 PRO 60 - QG2 VAL 18 OK 14 96 - 14 - 6686/8395=3, 2.3/8400=2...(5) HB3 GLU 38 - QG2 VAL 18 OK 12 100 - 12 - 6636/8395=1 HB3 ARG 81 - QG2 VAL 18 lone 8 99 - 8 - 3.0/6362=1, 4.3/8405=1 HB2 GLU 56 - QG2 VAL 18 lone 7 87 - 9 - HG2 GLU 64 - QG2 VAL 18 lone 6 93 - 6 - HB2 LEU 114 - QG2 VAL 18 lone 5 73 - 7 - HB2 GLN 105 - QG2 VAL 18 lone 5 85 - 6 - Peak 8403 from cnoeabs.peaks (2.21, 1.21, 24.60 ppm; 3.98 A): 3 out of 12 assignments used, quality = 0.88: HB3 PRO 37 + QG2 VAL 18 OK 66 100 - 66 - 1.8/6677=12, 8257=12...(15) HG2 PRO 37 + QG2 VAL 18 OK 59 98 - 60 - 2.3/6677=11, 8256/2.1=10...(13) HB VAL 26 + QG2 VAL 18 OK 17 90 - 19 - 2.1/8216=6, 4.4/8394=4...(5) HB VAL 49 - QG2 VAL 18 poor 8 73 - 11 - 2.1/8397=2, ~6360=2...(5) HB3 LEU 117 - QG2 VAL 18 lone 7 78 - 9 - 3.1/8397=1 HG2 GLU 28 - QG2 VAL 18 lone 7 85 - 8 - 4.0/8392=2, 5.1/8405=2 HG3 GLU 28 - QG2 VAL 18 lone 7 81 - 8 - 4.0/8392=2, 5.1/8405=2 HB2 PRO 68 - QG2 VAL 18 lone 5 76 - 6 - ~7225=2, 1.8/8401=1 HG2 GLU 38 - QG2 VAL 18 lone 4 60 - 7 - HG3 GLU 64 - QG2 VAL 18 lone 3 68 - 4 - HB2 GLU 73 - QG2 VAL 18 lone 3 81 - 4 - HG2 GLU 94 - QG2 VAL 18 lone 1 63 - 2 - Peak 8404 from cnoeabs.peaks (1.81, 0.99, 21.76 ppm; 3.56 A): 6 out of 24 assignments used, quality = 0.79: HG LEU 41 + QG1 VAL 18 OK 34 63 - 55 - 8400/2.1=10, ~8266=8...(14) HB2 PRO 37 + QG1 VAL 18 OK 34 67 - 50 - 6677/2.1=7, ~8403=7...(15) HB3 ARG 57 + QD2 LEU 58 OK 26 100 - 26 - 4.2/1050=8, 3.7/7031=4...(7) HB3 ARG 92 + QD2 LEU 58 OK 20 100 - 20 - 1.8/3377=2, 4432/3.1=2...(7) HB2 GLU 69 + QG1 VAL 18 OK 11 60 - 18 - 8400/2.1=3, 4.8/2002=2...(11) HB2 LYS 32 + QG1 VAL 18 OK 10 67 - 15 - 8400/2.1=3, ~2509=2...(6) HB3 ARG 57 - QG1 VAL 18 poor 10 92 - 10 - 8400/2.1=2, 4.2/1050=1 HB3 GLU 56 - QD2 LEU 58 lone 7 90 - 7 - 4.6/7031=3, 266/4.8=1 HB2 PRO 37 - QD2 LEU 58 lone 6 78 - 8 - 2.3/8253=1 HG13 ILE 63 - QD2 LEU 58 lone 6 96 - 6 - 266/4.8=2 HG13 ILE 63 - QG1 VAL 18 lone 5 85 - 6 - 8400/2.1=2 HB2 GLU 69 - QD2 LEU 58 lone 5 71 - 7 - 3.0/8748=1 HG LEU 41 - QD2 LEU 58 lone 5 73 - 7 - 2.1/6366=1 HB2 PRO 60 - QG1 VAL 18 lone 5 91 - 5 - 8400/2.1=1 HG2 GLU 75 - QD2 LEU 58 lone 3 100 - 3 - HG3 ARG 53 - QD2 LEU 58 lone 3 85 - 4 - HB2 PRO 60 - QD2 LEU 58 lone 3 100 - 3 - HB3 ARG 92 - QG1 VAL 18 lone 3 92 - 3 - HB3 GLU 56 - QG1 VAL 18 lone 3 79 - 4 - 4.6/7031=1 HG2 GLU 75 - QG1 VAL 18 lone 3 91 - 3 - HB2 LYS 32 - QD2 LEU 58 lone 3 78 - 4 - HG3 ARG 53 - QG1 VAL 18 lone 3 74 - 4 - 8400/2.1=1 HB3 GLN 105 - QG1 VAL 18 lone 2 88 - 2 - HB3 GLN 105 - QD2 LEU 58 lone 2 97 - 2 - Peak 8405 from cnoeabs.peaks (8.47, 1.21, 24.60 ppm; 4.87 A): 5 out of 9 assignments used, quality = 0.87: H PHE 40 + QG2 VAL 18 OK 52 89 - 59 - 4.5/6351=23, 3.0/8393=15...(7) H GLN 16 + QG2 VAL 18 OK 42 78 - 54 - 3.6/6319=19, 1537/4.0=15...(10) H TYR 102 + QG2 VAL 18 OK 24 99 - 25 - 4.5/6350=4, 504/2.1=3...(7) H GLU 28 + QG2 VAL 18 OK 23 65 - 36 - 4.6/8394=6, 4.8/8397=5...(10) H LEU 84 + QG2 VAL 18 OK 22 73 - 29 - 4.6/6351=4, ~7485=4...(10) H GLU 82 - QG2 VAL 18 poor 9 71 - 12 - 3.7/1998=1, 3.7/1998=1 H LYS 31 - QG2 VAL 18 lone 7 71 - 9 - 4.6/905=2, 6628/8396=1 H SER 13 - QG2 VAL 18 lone 2 60 - 4 - H GLY 2 - QG2 VAL 18 lone 2 90 - 2 - Peak 8406 from cnoeabs.peaks (8.09, 0.88, 21.00 ppm; 5.07 A): 4 out of 7 assignments used, quality = 0.78: HD22 ASN 79 + QG1 VAL 49 OK 56 93 - 60 - ~6912=13, 8144/4.0=12...(14) H GLY 39 + QG1 VAL 49 OK 27 100 - 27 - 2.9/8495=4, 6911/3.2=4...(10) H LEU 55 + QG1 VAL 49 OK 21 63 - 34 - 4.0/8492=6, 6911/3.2=5...(11) H LEU 24 + QG1 VAL 49 OK 11 100 - 11 - 1574/8279=2, 1574/8279=2 H SER 78 - QG1 VAL 49 lone 8 83 - 10 - 4.6/7372=2, 372/8494=1 H THR 33 - QG1 VAL 49 lone 8 99 - 8 - 6911/3.2=1 H GLN 105 - QG1 VAL 49 lone 6 100 - 6 - Peak 8407 from cnoeabs.peaks (8.54, 0.88, 21.00 ppm; 4.33 A): 5 out of 5 assignments used, quality = 0.89: H ARG 53 + QG1 VAL 49 OK 70 100 - 70 - 1621/3.2=24, 6961=10...(15) H LEU 41 + QG1 VAL 49 OK 41 100 - 41 - 947=8, 3.0/2782=5...(13) H GLY 86 + QG1 VAL 49 OK 16 89 - 18 - 3.0/8279=4, 6042/3.2=2...(5) H GLU 38 + QG1 VAL 49 OK 14 78 - 17 - 4.6/8406=4, 6042/3.2=2...(4) H GLU 94 + QG1 VAL 49 OK 12 100 - 12 - 6042/3.2=2, 7202/8494=1 Peak 8408 from cnoeabs.peaks (7.26, 0.14, 19.30 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.96: QE PHE 96 + QG1 VAL 110 OK 85 97 - 87 - 4727/2.1=24, 4726=19...(23) QD PHE 96 + QG1 VAL 110 OK 77 89 - 86 - 4715/2.1=27, 4714=19...(23) H VAL 26 - QG1 VAL 110 OK 19 99 - 19 - 4.0/7876=4, 4.0/7876=3...(6) HE ARG 57 - QG1 VAL 110 OK 12 99 - 12 - 7862/2.1=2, 7852/3.2=1...(4) HE ARG 71 - QG1 VAL 110 lone 5 100 - 5 - HD1 TRP 20 - QG1 VAL 110 lone 2 57 - 4 - 6.6/4980=1 Peak 8409 from cnoeabs.peaks (7.12, 0.93, 24.23 ppm; 3.97 A): 6 out of 15 assignments used, quality = 0.89: QD PHE 40 + QD1 LEU 27 OK 64 100 - 64 - 6533/2.1=15, 2.2/8410=11...(18) QD PHE 40 + QD1 LEU 41 OK 35 70 - 50 - 167/4.3=10, 6765/2.1=9...(14) HE ARG 53 + QD1 LEU 41 OK 19 57 - 34 - 6765/2.1=8, 8543/2.1=7...(8) QD PHE 83 + QD1 LEU 27 OK 18 99 - 18 - 6533/2.1=5, 3.7/8355=3...(6) QD PHE 83 + QD1 LEU 41 OK 18 67 - 26 - 167/4.3=5, 6765/2.1=5...(9) H LEU 93 + QD1 LEU 27 OK 10 60 - 17 - 6533/2.1=4, 1233/3.1=2...(5) QD PHE 40 - QD1 LEU 117 poor 6 62 - 10 - 4669=2, 3.8/8411=1...(5) HE ARG 53 - QD1 LEU 27 lone 5 90 - 6 - 6533/2.1=1 HE ARG 92 - QD1 LEU 41 lone 4 60 - 7 - 6765/2.1=2, 167/4.3=1 HE ARG 92 - QD1 LEU 27 lone 4 93 - 4 - 6533/2.1=1 H LEU 93 - QD1 LEU 41 poor 4 35 - 10 - 1496/4.3=1 H LEU 93 - QD1 LEU 117 lone 3 30 - 9 - 7594/2.1=3, 7594/3.1=2 HE ARG 53 - QD1 LEU 117 lone 3 50 - 5 - ~6970=2 QD PHE 83 - QD1 LEU 117 lone 1 60 - 2 - HE ARG 92 - QD1 LEU 117 lone 1 53 - 1 - Peak 8410 from cnoeabs.peaks (7.22, 0.93, 24.23 ppm; 3.72 A): 6 out of 18 assignments used, quality = 0.90: QE PHE 40 + QD1 LEU 27 OK 66 100 - 66 - 6534/2.1=14, 2.2/8411=13...(14) H VAL 26 + QD1 LEU 27 OK 28 68 - 42 - 1441/4.4=9, 6534/2.1=6...(12) QD TYR 102 + QD1 LEU 27 OK 27 100 - 27 - 6534/2.1=6, 6539/4.0=5...(7) QE PHE 40 + QD1 LEU 41 OK 27 70 - 39 - ~6769=8, 4679=6, ~6765=6...(14) QE PHE 96 + QD1 LEU 27 OK 15 78 - 19 - 6534/2.1=3, 6539/4.0=3...(8) H LYS 65 + QD1 LEU 27 OK 12 98 - 12 - 6534/2.1=3, 4.6/298=1 QD TYR 67 - QD1 LEU 117 poor 8 40 - 20 - ~8000=3, ~7996=3...(10) H LYS 65 - QD1 LEU 117 poor 7 58 - 12 - ~8015=2, 304/3.1=2...(5) QE PHE 40 - QD1 LEU 117 poor 7 61 - 11 - ~7997=3, 2.2/8411=2...(4) QD TYR 102 - QD1 LEU 41 lone 7 70 - 9 - H LYS 65 - QD1 LEU 41 lone 6 66 - 8 - 4.6/298=1 QE PHE 96 - QD1 LEU 117 poor 5 41 - 12 - ~7998=7, ~7997=3 QD TYR 67 - QD1 LEU 27 lone 5 76 - 6 - 6534/2.1=1 QD TYR 67 - QD1 LEU 41 lone 4 46 - 10 - H VAL 26 - QD1 LEU 41 lone 4 40 - 9 - 4.7/879=2 QD TYR 102 - QD1 LEU 117 lone 3 62 - 4 - QE PHE 96 - QD1 LEU 41 lone 2 48 - 4 - H VAL 26 - QD1 LEU 117 lone 2 35 - 5 - Peak 8411 from cnoeabs.peaks (7.30, 0.93, 24.23 ppm; 3.95 A): 4 out of 9 assignments used, quality = 0.77: HZ PHE 40 + QD1 LEU 27 OK 58 97 - 60 - 6535/2.1=19, 4678=13...(12) HZ2 TRP 20 + QD1 LEU 117 OK 24 35 - 69 - ~4661=16, ~8000=14...(15) HZ2 TRP 20 + QD1 LEU 27 OK 16 68 - 24 - 6535/2.1=11, 4650/3.1=3...(9) HZ PHE 40 + QD1 LEU 41 OK 14 64 - 21 - 4678=5, 2.2/4679=5...(7) HD1 TRP 20 - QD1 LEU 117 poor 8 46 - 17 - 7997/2.1=15 HZ PHE 40 - QD1 LEU 117 poor 7 56 - 13 - 7997/2.1=5, 4678=2, 2.2/4679=1 HD1 TRP 20 - QD1 LEU 27 lone 5 85 - 6 - ~6385=1, 5.6/6538=1 HD1 TRP 20 - QD1 LEU 41 lone 2 53 - 3 - HZ2 TRP 20 - QD1 LEU 41 lone 1 40 - 3 - Peak 8412 from cnoeabs.peaks (7.98, 0.93, 24.55 ppm; 4.23 A): 4 out of 14 assignments used, quality = 0.62: H THR 17 + QD1 LEU 41 OK 30 90 - 33 - 4.7/8729=8, 4.0/6757=8...(9) H SER 44 + QD1 LEU 41 OK 26 57 - 45 - 1602/4.9=8, 3.6/8265=6...(13) H LEU 114 + QD1 LEU 41 OK 16 99 - 16 - 7558=3, 4.6/1363=2...(4) H THR 17 + QD1 LEU 27 OK 12 57 - 20 - 4.7/8729=4, 4.0/6757=3...(9) HE ARG 85 - QD1 LEU 41 lone 10 100 - 10 - 8713/3.1=2, ~4327=1, 8708/8413=1 HE ARG 85 - QD1 LEU 27 poor 9 69 - 13 - 8745/4.0=4, 8713/2.1=3, ~4327=1 H ALA 89 - QD1 LEU 41 lone 7 81 - 9 - 7558=2 H SER 44 - QD1 LEU 27 poor 7 33 - 20 - 4.0/6829=3, 2.9/6827=2...(9) H VAL 66 - QD1 LEU 41 lone 6 90 - 7 - H LEU 114 - QD1 LEU 27 lone 6 68 - 9 - 7558=1, 4.6/1363=1 H ARG 92 - QD1 LEU 41 lone 5 90 - 6 - H VAL 66 - QD1 LEU 27 lone 5 57 - 9 - H ARG 92 - QD1 LEU 27 lone 3 57 - 5 - H ALA 89 - QD1 LEU 27 lone 3 49 - 6 - Peak 8413 from cnoeabs.peaks (6.99, 0.93, 24.55 ppm; 4.19 A): 2 out of 8 assignments used, quality = 0.95: QE PHE 107 + QD1 LEU 41 OK 91 100 - 91 - 6767/2.1=26, 6766/2.1=17...(28) QE PHE 107 + QD1 LEU 27 OK 39 70 - 56 - 4790/2.1=6, ~2283=5...(23) H LEU 101 - QD1 LEU 41 OK 27 89 - 31 - 6767/2.1=7, 6762/3.1=5...(6) HD22 ASN 108 - QD1 LEU 41 OK 20 93 - 21 - 6767/2.1=5, 6762/3.1=4...(5) H LEU 101 - QD1 LEU 27 poor 10 56 - 18 - 1277/3.1=3, 1727/4.0=2...(5) HD22 ASN 108 - QD1 LEU 27 lone 2 60 - 4 - HD22 ASN 12 - QD1 LEU 41 lone 1 57 - 2 - HD22 ASN 12 - QD1 LEU 27 lone 0 33 - 1 - Peak 8414 from cnoeabs.peaks (1.87, 1.40, 26.19 ppm; 4.67 A): 5 out of 12 assignments used, quality = 0.92: HB3 LYS 31 + HG LEU 59 OK 45 92 - 49 - 2.9/3413=5, 2419/3.0=5...(26) HB2 LYS 119 + HG LEU 59 OK 42 92 - 46 - 3.0/6272=8, 5915/5.1=6...(17) HB2 LEU 58 + HG LEU 59 OK 39 100 - 39 - 4.6/3410=11, 8304=6...(12) HG LEU 55 + HG LEU 59 OK 39 93 - 42 - 2.1/3415=6, 8298/3.0=5...(19) HG12 ILE 22 + HG LEU 59 OK 32 81 - 40 - 1.8/3415=5, 2.1/6442=5...(15) HB VAL 50 - HG LEU 59 lone 8 92 - 9 - 4.5/1000=2, ~7015=1 HB3 LYS 109 - HG LEU 59 lone 8 100 - 8 - 273/5.1=3 HG3 PRO 68 - HG LEU 59 lone 8 100 - 7 - HB3 GLU 28 - HG LEU 59 lone 7 100 - 7 - 3.8/100=2 HB2 ARG 92 - HG LEU 59 lone 5 99 - 5 - 4.2/1233=1, 273/5.1=1 HG LEU 84 - HG LEU 59 lone 5 87 - 6 - HG3 GLU 73 - HG LEU 59 lone 2 60 - 3 - Peak 8416 from cnoeabs.peaks (3.50, 3.12, 39.63 ppm; 5.39 A): 1 out of 5 assignments used, quality = 0.54: HB2 PHE 96 + HB3 ASP 100 OK 54 98 - 55 - 2.4/4819=20, 4.3/7688=18...(7) HA VAL 18 - HB3 ASP 100 poor 8 65 - 11 - ~8151=3, 5973/3.8=2...(4) HA LEU 84 - HB3 ASP 100 lone 7 99 - 7 - 4597/4819=2, 477/7688=1, ~2742=1 HB2 PHE 83 - HB3 ASP 100 lone 5 97 - 5 - ~2748=1 HB3 SER 44 - HB3 ASP 100 lone 2 98 - 2 - Peak 8417 from cnoeabs.peaks (1.35, 7.22, 133.27 ppm; 6.01 A): 2 out of 8 assignments used, quality = 0.98: HG2 LYS 46 + QD TYR 102 OK 85 90 - 95 - 3.9/4740=20, 2.9/8584=20...(26) HG3 LYS 46 + QD TYR 102 OK 85 90 - 95 - 3.9/4740=20, 2.9/8584=20...(26) QB ALA 43 - QD TYR 102 OK 29 96 - 30 - 6814/2.2=5, ~6812=5...(11) QG2 THR 17 - QD TYR 102 OK 15 90 - 17 - 6341/3.7=3, 6345/2.2=3 HG3 LYS 119 - QD TYR 102 OK 14 70 - 20 - 7737/3.7=3, 2.9/6585=3...(6) HG2 LYS 31 - QD TYR 102 OK 12 73 - 16 - 4.7/4737=3, 2425/4.5=2...(4) HB3 LEU 59 - QD TYR 102 lone 7 100 - 7 - 3.0/4744=2 QG2 THR 23 - QD TYR 102 lone 4 62 - 7 - Peak 8418 from cnoeabs.peaks (1.98, 3.61, 57.62 ppm; 4.10 A): 4 out of 14 assignments used, quality = 0.79: HG LEU 114 + HA LEU 111 OK 51 100 - 52 - 3.0/6220=10, 5.2/6219=8...(16) HB2 LEU 41 + HA LEU 111 OK 35 100 - 35 - 4.2/1591=6, 5562/3.6=5...(12) HB ILE 124 + HA LEU 111 OK 22 100 - 22 - ~8115=3, 5346/3.0=3...(8) HB2 LEU 55 + HA LEU 111 OK 13 83 - 16 - ~1748=2, 3.1/6907=1...(6) HB3 GLN 103 - HA LEU 111 lone 9 100 - 9 - ~4722=2, ~4746=1...(4) HB2 LYS 46 - HA LEU 111 lone 8 89 - 10 - HB3 PRO 68 - HA LEU 111 lone 8 100 - 8 - 2.3/7224=2, 3.9/7244=1 HG2 PRO 68 - HA LEU 111 lone 8 100 - 8 - 3.8/7224=1 HG LEU 45 - HA LEU 111 lone 8 98 - 8 - 6841/7916=2 HG2 PRO 60 - HA LEU 111 lone 4 96 - 4 - HB2 ARG 71 - HA LEU 111 lone 3 99 - 3 - HB2 GLU 94 - HA LEU 111 lone 3 89 - 3 - HB2 MET 11 - HA LEU 111 lone 2 100 - 2 - HB3 GLU 94 - HA LEU 111 lone 2 65 - 3 - Peak 8419 from cnoeabs.peaks (8.77, 2.88, 38.58 ppm; 4.87 A): 0 out of 4 assignments used, low quality = 0.30: H ASN 99 - HB3 ASN 12 OK 19 90 - 21 - ~6182=5, 1723/3.5=4...(7) H GLU 15 - HB3 ASN 12 OK 14 100 - 14 - 4.0/6285=6, 4.6/8176=5 H ARG 85 - HB3 ASN 12 lone 3 73 - 4 - 4.7/5438=1 H THR 23 - HB3 ASN 12 lone 1 68 - 2 - Peak 8420 from cnoeabs.peaks (0.80, 0.98, 21.91 ppm; 3.02 A): 6 out of 12 assignments used, quality = 0.64: QD2 LEU 91 + QD2 LEU 58 OK 19 85 - 22 - 8370/2.1=4, 8370=2...(6) QD1 ILE 22 + QD2 LEU 58 OK 17 92 - 18 - ~8477=2, 2.1/8477=2...(5) QD1 ILE 22 + QG1 VAL 18 OK 17 100 - 17 - 6440/3.2=5, 6443/2.1=3...(5) QD1 LEU 111 + QG1 VAL 18 OK 17 99 - 17 - 5021/2.1=4, 5884/4.3=2...(4) QD1 LEU 93 + QD2 LEU 58 OK 13 60 - 22 - 2.1/7601=3, 3.1/7610=2...(7) QD1 LEU 111 + QD2 LEU 58 OK 12 90 - 13 - 7910/2.1=1, 3.1/6367=1 HB2 ASN 118 - QD2 LEU 58 poor 10 76 - 13 - 3.0/8021=2, ~8021=2...(6) QG1 VAL 115 - QG1 VAL 18 poor 9 68 - 13 - ~7978=5, 4.3/5460=2...(6) HB2 ASN 118 - QG1 VAL 18 lone 7 87 - 8 - 5181/2.1=2, 1.8/2003=1 QD1 LEU 93 - QG1 VAL 18 lone 3 71 - 5 - QD2 LEU 91 - QG1 VAL 18 lone 3 96 - 3 - QG1 VAL 115 - QD2 LEU 58 lone 3 58 - 5 - Peak 8421 from cnoeabs.peaks (4.52, 1.26, 21.73 ppm; 5.15 A): 0 out of 7 assignments used, low quality = 0.22: HA LEU 101 - QG2 THR 19 OK 13 65 - 20 - 3.6/7736=3, 3.0/7729=3...(7) HB THR 23 - QG2 THR 19 OK 11 100 - 11 - 5986/6379=9 HA LEU 27 - QG2 THR 19 poor 9 89 - 10 - 4.0/6375=3, 4.0/6375=2 HA ASN 79 - QG2 THR 19 poor 9 63 - 14 - 3.5/1158=4, 4.9/4065=3...(5) HA GLU 82 - QG2 THR 19 poor 8 68 - 11 - 3.0/6377=3, 3.0/6377=3...(4) HA PRO 30 - QG2 THR 19 lone 7 89 - 8 - 5986/6379=2 HA LEU 91 - QG2 THR 19 lone 5 95 - 6 - 3.9/8368=2 Peak 8422 from cnoeabs.peaks (8.95, 2.19, 31.17 ppm; 5.18 A): 3 out of 6 assignments used, quality = 0.94: H LEU 54 + HB VAL 26 OK 86 99 - 88 - 8231/2.1=32, 8236/2.1=30...(20) H PHE 107 + HB VAL 26 OK 34 100 - 34 - 8231/2.1=13, 8236/2.1=13...(6) H LEU 54 + HB3 PRO 37 OK 28 79 - 36 - 8389=7, 4.4/8432=5...(12) H LEU 54 - HB VAL 49 OK 23 79 - 29 - 4.4/8432=6, 8389=5...(9) H PHE 107 - HB VAL 49 OK 13 81 - 16 - 1510/4.4=6, 4.6/5598=1...(5) H PHE 107 - HB3 PRO 37 lone 6 82 - 7 - Peak 8423 from cnoeabs.peaks (3.65, 4.25, 48.06 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.74: HA ILE 80 + HA3 GLY 48 OK 65 97 - 67 - 3.0/6895=17, 4.0/6889=13...(12) HA LYS 46 + HA3 GLY 48 OK 25 98 - 26 - 6854/3.0=11, ~190=5...(4) HA VAL 115 - HA3 GLY 48 poor 10 60 - 16 - 3.0/6889=2, ~6883=2...(5) HA LEU 41 - HA3 GLY 48 lone 8 100 - 8 - 4.1/6892=2, ~1583=1 Peak 8424 from cnoeabs.peaks (0.21, 3.56, 57.49 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.76: QD1 LEU 54 + HA LEU 51 OK 70 100 - 70 - 2.1/8425=21, 3.1/6054=16...(16) QD2 LEU 21 + HA LEU 51 OK 20 78 - 25 - 6394/3.6=5, 1022/6051=3...(9) Peak 8425 from cnoeabs.peaks (0.70, 3.56, 57.49 ppm; 3.93 A): 5 out of 6 assignments used, quality = 0.79: QD2 LEU 54 + HA LEU 51 OK 62 100 - 62 - 2.1/8424=24, 3.1/6054=14...(9) QD1 LEU 114 + HA LEU 51 OK 14 83 - 17 - 6928/4.0=8, 3211/8424=2...(4) QD1 LEU 77 + HA LEU 51 OK 14 92 - 15 - 2.1/8426=4, ~222=2...(4) HG3 GLU 75 + HA LEU 51 OK 13 100 - 13 - 3973=2, 6928/4.0=2...(5) QG1 VAL 66 + HA LEU 51 OK 11 99 - 11 - 6928/4.0=1, 7202/6050=1...(5) QD2 LEU 111 - HA LEU 51 lone 3 60 - 5 - 6928/4.0=2 Peak 8426 from cnoeabs.peaks (0.57, 3.56, 57.49 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.84: QG1 VAL 50 + HA LEU 51 OK 54 99 - 54 - 222/2.9=18, 2.1/6054=11...(9) QD2 LEU 45 + HA LEU 51 OK 41 85 - 48 - 6847=12, 222/2.9=9...(10) HG12 ILE 34 + HA LEU 51 OK 32 76 - 42 - 8630/3.7=8, 2.1/3072=8...(11) QD2 LEU 77 + HA LEU 51 OK 17 100 - 17 - 2.1/8425=5, 222/2.9=4...(4) Peak 8427 from cnoeabs.peaks (4.21, 1.74, 29.79 ppm; 4.89 A): 3 out of 10 assignments used, quality = 0.96: HA VAL 26 + HB2 ARG 53 OK 80 95 - 84 - 3.2/6964=18, 8690/3.6=18...(18) HA CYS 52 + HB2 ARG 53 OK 67 93 - 72 - 3.6/3129=18, 6061=11...(20) HA VAL 66 + HB2 ARG 53 OK 39 99 - 40 - 232/4.0=5, 3662=4...(16) HA ARG 92 - HB2 ARG 53 OK 39 78 - 50 - 8429/3.6=5, 4417/3.0=5...(21) HA SER 13 - HB2 ARG 53 OK 30 99 - 30 - 8690/3.6=5, 8691=5...(12) HA ILE 22 - HB2 ARG 53 OK 27 99 - 28 - 4.9/6046=8, 8429/3.6=3...(10) HA LEU 126 - HB2 ARG 53 OK 25 100 - 25 - 8429/3.6=4, 8428/3.6=3...(13) HA PRO 68 - HB2 ARG 53 OK 12 81 - 14 - 3.6/3130=2, 3.6/3130=1...(4) HA3 GLY 61 - HB2 ARG 53 lone 4 93 - 5 - HA THR 17 - HB2 ARG 53 lone 3 65 - 5 - 232/4.0=1 Peak 8428 from cnoeabs.peaks (4.21, 3.18, 43.53 ppm; 4.01 A): 7 out of 20 assignments used, quality = 0.94: HA VAL 26 + HD2 ARG 53 OK 65 95 - 69 - 8690=20, 8689/1.8=13...(15) HA CYS 52 + HD2 ARG 53 OK 45 93 - 49 - 3.6/1015=11, 8429/1.8=7...(15) HA ARG 92 + HD2 ARG 53 OK 28 78 - 35 - 8429/1.8=5, 4417/3.0=4...(18) HA LEU 126 + HD2 ARG 53 OK 22 100 - 22 - 8429/1.8=4, 4.0/6968=3...(9) HA SER 13 + HD2 ARG 53 OK 21 99 - 21 - 8690=6, 8689/1.8=4...(5) HA VAL 66 + HD2 ARG 53 OK 20 99 - 20 - 8429/1.8=3, 3662/3.6=2...(8) HA ILE 22 + HD2 ARG 53 OK 16 99 - 16 - 4.9/8289=4, 8429/1.8=3...(4) HA VAL 26 - HD2 ARG 81 poor 7 50 - 14 - 8690=3, ~6507=2...(5) HA VAL 66 - HD2 ARG 81 lone 5 55 - 10 - ~7189=2, ~7184=1...(4) HA CYS 52 - HD2 ARG 81 poor 5 49 - 11 - 3.6/1015=2, 3112/1.8=2 HA PRO 68 - HD2 ARG 53 lone 5 81 - 6 - 8429/1.8=1 HA ARG 92 - HD2 ARG 81 poor 4 38 - 10 - 4420/1.8=1 HA ILE 22 - HD2 ARG 81 lone 3 55 - 5 - HA LEU 126 - HD2 ARG 81 lone 2 57 - 4 - HA3 GLY 61 - HD2 ARG 53 lone 2 93 - 2 - HA THR 17 - HD2 ARG 53 lone 1 65 - 2 - HA SER 13 - HD2 ARG 81 lone 1 55 - 2 - HA3 GLY 61 - HD2 ARG 81 lone 1 49 - 1 - HA PRO 68 - HD2 ARG 81 lone 0 40 - 1 - HA THR 17 - HD2 ARG 81 lone 0 31 - 1 - Peak 8429 from cnoeabs.peaks (4.20, 3.10, 43.53 ppm; 4.11 A): 7 out of 10 assignments used, quality = 0.94: HA VAL 26 + HD3 ARG 53 OK 60 90 - 66 - 8690/1.8=17, 3.2/6972=17...(13) HA CYS 52 + HD3 ARG 53 OK 47 89 - 53 - 3.6/1016=10, 8428/1.8=7...(16) HA ARG 92 + HD3 ARG 53 OK 33 85 - 39 - 3.0/3160=4, 8428/1.8=4...(23) HA LEU 126 + HD3 ARG 53 OK 24 100 - 24 - 4.0/6971=4, 8428/1.8=3...(11) HA VAL 66 + HD3 ARG 53 OK 22 97 - 23 - 3.2/7184=3, 8428/1.8=3...(8) HA SER 13 + HD3 ARG 53 OK 21 97 - 22 - 8690/1.8=5, 8689=5...(6) HA ILE 22 + HD3 ARG 53 OK 17 97 - 18 - 4.9/8290=5, 8428/1.8=3...(5) HA PRO 68 - HD3 ARG 53 lone 7 87 - 8 - HA3 GLY 61 - HD3 ARG 53 lone 3 97 - 3 - HA THR 17 - HD3 ARG 53 lone 1 57 - 2 - Peak 8430 from cnoeabs.peaks (4.18, 1.83, 27.58 ppm; 3.84 A): 3 out of 14 assignments used, quality = 0.92: HA ARG 92 + HB3 ARG 92 OK 80 80 - 100 - 3.0=100 HA ARG 92 + HG3 ARG 53 OK 40 100 - 41 - 4417=5, 3.0/4425=4...(26) HA GLU 56 + HG3 ARG 53 OK 31 90 - 34 - 7022/1.8=3, 7023/3.9=3...(15) HA PRO 68 - HB3 ARG 92 OK 20 80 - 25 - 3728/1.8=5, ~3735=3...(11) HA LEU 126 - HG3 ARG 53 OK 13 73 - 17 - 3.0/3157=2, 3.0/3157=2...(6) HA GLU 56 - HB3 ARG 92 OK 12 67 - 18 - 1223/3.6=2, ~4425=1...(8) HA PRO 68 - HG3 ARG 53 lone 8 100 - 8 - 3.6/1102=1 HA3 GLY 61 - HB3 ARG 92 lone 5 76 - 7 - 1223/3.6=1 HA LEU 126 - HB3 ARG 92 lone 5 52 - 9 - 1223/3.6=1, 4417=1 HA3 GLY 61 - HG3 ARG 53 lone 4 98 - 4 - 3.6/7097=2 HA GLU 28 - HB3 ARG 92 lone 3 46 - 7 - HA SER 78 - HB3 ARG 92 lone 1 65 - 2 - HA SER 78 - HG3 ARG 53 lone 1 89 - 1 - HA GLU 28 - HG3 ARG 53 lone 1 65 - 2 - Peak 8431 from cnoeabs.peaks (4.20, 2.02, 29.79 ppm; 4.43 A): 5 out of 33 assignments used, quality = 0.93: HA VAL 26 + HB3 ARG 53 OK 55 76 - 73 - 3.2/8217=13, 8690/3.6=12...(18) HA CYS 52 + HB3 ARG 53 OK 44 73 - 60 - 3.6/1012=16, 6061/1.8=8...(17) HA ARG 92 + HB3 ARG 53 OK 39 96 - 41 - 8430/3.0=6, 8429/3.6=4...(20) HA GLU 56 + HB3 ARG 53 OK 36 60 - 60 - ~6065=11, ~1635=5...(25) HA GLU 56 + HB2 GLU 56 OK 32 32 - 100 - 3.0=100 HA VAL 66 - HB3 ARG 53 OK 25 89 - 29 - 8427/1.8=4, 232/4.0=3...(12) HA3 GLY 61 - HB2 GLU 56 OK 23 64 - 37 - ~8301=15, 3.0/282=6...(9) HA LEU 126 - HB3 ARG 53 OK 21 97 - 21 - 8429/3.6=3, 8428/3.6=3...(9) HA ILE 22 - HB3 ARG 53 OK 18 87 - 21 - 4.9/6048=5, 8427/1.8=3...(7) HA SER 13 - HB3 ARG 53 OK 18 87 - 21 - 8690/3.6=4, 8689/3.6=3...(8) HA PRO 68 - HB2 GLU 56 OK 17 59 - 29 - ~3277=3, ~3731=3...(14) HA PRO 68 - HB2 GLU 94 OK 12 51 - 24 - ~4528=3, ~4526=3...(11) HA PRO 68 - HB3 ARG 53 OK 11 97 - 12 - 8430/3.0=1, 8427/1.8=1 HA ARG 92 - HB2 GLU 56 OK 11 58 - 19 - 4417/1.8=3, ~4425=2...(9) HA VAL 26 - HB2 GLU 56 poor 8 42 - 20 - 3.2/8217=6, 3.2/6965=2...(7) HA CYS 52 - HB2 GLU 56 poor 6 40 - 15 - 3.6/1012=5, 6063/4.6=2, ~5637=1 HA VAL 66 - HB2 GLU 56 poor 5 51 - 10 - ~7026=2, ~7025=2, ~8436=2 HA3 GLY 61 - HB3 ARG 53 lone 4 100 - 4 - HA VAL 66 - HB2 GLU 94 lone 3 44 - 8 - ~7193=1, ~7194=1 HA ILE 22 - HB2 GLU 56 lone 3 50 - 6 - HA CYS 52 - HB2 GLU 94 lone 3 34 - 8 - 5611/4.0=3, 3.6/1012=2, 6059=1 HA LEU 126 - HB2 GLU 56 lone 2 59 - 3 - HA SER 13 - HB2 GLU 56 lone 2 50 - 3 - HA SER 78 - HB2 GLU 56 lone 2 30 - 5 - HA GLU 56 - HB2 GLU 94 lone 1 27 - 3 - HA VAL 26 - HB2 GLU 94 lone 1 36 - 2 - HA ARG 92 - HB2 GLU 94 lone 1 50 - 2 - HA LEU 126 - HB2 GLU 94 lone 1 51 - 2 - HA SER 78 - HB3 ARG 53 lone 1 57 - 1 - HA ILE 22 - HB2 GLU 94 lone 1 43 - 2 - HA SER 13 - HB2 GLU 94 lone 1 43 - 1 - HA3 GLY 61 - HB2 GLU 94 lone 1 55 - 1 - HA SER 78 - HB2 GLU 94 lone 0 26 - 2 - Peak 8432 from cnoeabs.peaks (2.20, 1.74, 29.79 ppm; 4.16 A): 5 out of 5 assignments used, quality = 0.94: HB VAL 26 + HB2 ARG 53 OK 74 100 - 74 - 2.1/6964=18, 2.1/6964=16...(19) HB VAL 49 + HB2 ARG 53 OK 38 96 - 40 - ~8492=8, 6973/3.6=7...(11) HG2 PRO 37 + HB2 ARG 53 OK 35 100 - 35 - ~6068=3, 6973/3.6=3...(15) HB3 PRO 37 + HB2 ARG 53 OK 31 90 - 34 - ~6068=4, 8210=3...(16) HB2 GLU 73 + HB2 ARG 53 OK 17 98 - 17 - 6973/3.6=3, 8389/4.4=2...(6) Peak 8433 from cnoeabs.peaks (7.20, 0.71, 26.03 ppm; 4.61 A): 11 out of 18 assignments used, quality = 0.92: QD TYR 102 + QD1 LEU 77 OK 33 38 - 88 - ~7350=23, ~7349=20...(17) QD TYR 67 + QD2 LEU 54 OK 30 100 - 30 - 4691=6, 2.2/4701=5...(6) H LYS 65 + QD1 LEU 114 OK 27 80 - 34 - 1472/4.4=6, 7956/2.1=5...(10) QD TYR 102 + QD2 LEU 54 OK 23 78 - 30 - ~6979=6, 8497/2.1=5...(9) QD TYR 67 + QD1 LEU 114 OK 20 89 - 23 - 4688/3.1=4, ~7950=4...(6) QD TYR 67 + QD1 LEU 77 OK 20 57 - 36 - 4691=7, 8295/3.1=7...(11) QD PHE 107 + QD2 LEU 54 OK 18 95 - 19 - 4765/4.8=6, 4.5/3212=6 QD PHE 107 + QD1 LEU 114 OK 14 80 - 18 - 4811/7875=2, ~4795=2...(6) H LYS 65 + QD2 LEU 54 OK 12 95 - 13 - 4.6/1092=2, 8497/2.1=2...(4) QD PHE 107 + QD1 LEU 77 OK 12 49 - 25 - 8295/3.1=6, 4806/2.1=4...(7) QE PHE 40 + QD1 LEU 77 OK 11 42 - 27 - 4831/2.1=7, ~4668=4...(7) QD TYR 102 - QD1 LEU 114 poor 8 63 - 12 - 7956/2.1=2, 4827/4.0=2 QE PHE 40 - QD2 LEU 54 lone 7 85 - 8 - 6939/6928=2, 8497/2.1=2 H LYS 65 - QD1 LEU 77 poor 6 49 - 13 - 3.0/7167=3, 4.6/1092=2...(4) QE PHE 40 - QD1 LEU 114 lone 5 70 - 8 - 6939/6928=2, 7956/2.1=1 HE ARG 81 - QD1 LEU 114 lone 3 70 - 5 - 5.0/7439=1 HE ARG 81 - QD2 LEU 54 lone 3 85 - 4 - 5.0/7439=1 HE ARG 81 - QD1 LEU 77 lone 2 42 - 4 - 5.0/7439=1 Peak 8434 from cnoeabs.peaks (0.63, 1.49, 43.52 ppm; 3.76 A): 7 out of 18 assignments used, quality = 0.93: QD2 LEU 24 + HB3 LEU 58 OK 45 60 - 75 - 2.1/8435=18, ~7066=13...(22) QG2 VAL 26 + HB2 LEU 24 OK 37 52 - 72 - 8214/3.1=25, 8216/1.8=17...(15) QG2 VAL 26 + HB3 LEU 58 OK 31 98 - 32 - 8506/3.0=6, 8214/8435=6...(11) QD1 LEU 21 + HB3 LEU 58 OK 30 83 - 36 - 8506/3.0=7, ~7068=6...(13) QD2 LEU 24 + HB2 LEU 24 OK 26 26 - 100 - 3.1=100 QD1 LEU 21 + HB2 LEU 24 OK 26 39 - 66 - ~6415=16, 3.7/5991=9...(21) QG1 VAL 26 + HB2 LEU 24 OK 25 36 - 67 - 8224/3.1=15, ~8214=14...(15) QG1 VAL 26 - HB3 LEU 58 OK 21 78 - 27 - 8506/3.0=3, 8224/8435=3...(10) QD1 LEU 45 - HB2 LEU 24 OK 13 50 - 26 - 8614/1.8=4, 2915/3.0=3...(16) QD1 LEU 45 - HB3 LEU 58 poor 10 97 - 10 - 8506/3.0=2, 7053/3.9=1 QD1 LEU 51 - HB3 LEU 58 lone 8 96 - 8 - 7053/3.9=2, 8506/3.0=1 QD2 LEU 24 - HB2 LEU 93 poor 3 24 - 11 - 2.1/8435=2 QG2 VAL 26 - HB2 LEU 93 lone 3 47 - 5 - QD1 LEU 51 - HB2 LEU 93 lone 3 45 - 6 - 6942/3.8=3, ~6929=1 QD1 LEU 51 - HB2 LEU 24 lone 2 49 - 4 - 8614/1.8=1 QG1 VAL 26 - HB2 LEU 93 lone 2 33 - 6 - QD1 LEU 45 - HB2 LEU 93 lone 1 46 - 3 - QD1 LEU 21 - HB2 LEU 93 lone 1 36 - 4 - Peak 8435 from cnoeabs.peaks (0.06, 1.49, 43.52 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.92: QD1 LEU 24 + HB3 LEU 58 OK 82 100 - 82 - 8507/3.0=22, 7067/3.1=21...(28) QD1 LEU 24 + HB2 LEU 24 OK 55 55 - 100 - 3.1=100 QD1 LEU 24 - HB2 LEU 93 poor 7 50 - 14 - 2231/3.0=2 Peak 8436 from cnoeabs.peaks (2.33, 0.77, 21.33 ppm; 5.17 A): 5 out of 9 assignments used, quality = 0.82: HB2 LEU 54 + QG2 VAL 66 OK 37 100 - 37 - 3190/2.1=7, 4.6/7196=7...(10) HB3 GLU 82 + QG2 VAL 66 OK 35 98 - 36 - 3.0/7195=9, 3.0/7453=6...(9) HB2 GLU 82 + QG2 VAL 66 OK 35 98 - 36 - 3.0/7195=9, 3.0/7453=6...(9) HG3 GLU 56 + QG2 VAL 66 OK 21 92 - 22 - 7026=7, 1.8/7025=5...(4) HG2 PRO 70 + QG2 VAL 66 OK 14 87 - 16 - 2.3/8509=2, ~7181=2...(5) HB3 PRO 60 - QG2 VAL 66 lone 6 97 - 6 - HG2 GLN 16 - QG2 VAL 66 lone 3 68 - 5 - HB3 ASN 118 - QG2 VAL 66 lone 3 78 - 4 - HB VAL 18 - QG2 VAL 66 lone 2 65 - 3 - Peak 8437 from cnoeabs.peaks (9.24, 2.95, 35.00 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.86: H GLU 64 + HG3 GLU 82 OK 86 100 - 86 - 8438/1.8=36, 4.6/7162=27...(10) H ALA 98 - HG3 GLU 82 lone 4 63 - 7 - 4.6/478=1, 3.0/7459=1 Peak 8438 from cnoeabs.peaks (9.24, 2.52, 35.00 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.89: H GLU 64 + HG2 GLU 82 OK 89 100 - 89 - 8437/1.8=42, 7155=30...(10) Peak 8439 from cnoeabs.peaks (1.91, 4.13, 56.52 ppm; 4.21 A): 5 out of 48 assignments used, quality = 0.92: HB ILE 80 + HA ALA 98 OK 59 99 - 60 - 2.1/7671=14, ~7429=10...(12) HB2 LEU 84 + HA ALA 98 OK 43 96 - 45 - ~7668=8, ~7482=7...(11) HG LEU 84 + HA ALA 98 OK 33 65 - 51 - ~7668=10, ~7482=9...(12) HB2 ARG 81 + HA ARG 57 OK 30 62 - 49 - 4115/3.0=5, 4119/4.5=4...(26) HB2 LYS 109 + HA ASN 108 OK 24 75 - 33 - 4890/3.6=15, ~7841=6...(6) HB2 ARG 81 - HA ALA 98 OK 22 99 - 22 - 8536/2.1=8, ~7435=5, ~8361=4 HB2 LEU 21 - HA ARG 57 OK 16 58 - 27 - ~7033=5, ~6399=3...(12) HG LEU 58 - HA ARG 57 OK 15 51 - 31 - 3368/3.6=12, ~7031=5...(7) HB2 GLU 38 - HA ARG 57 OK 13 36 - 35 - ~6076=4, ~1639=3...(16) HB3 LYS 119 - HA ARG 57 poor 9 33 - 28 - ~5200=5, 5210/3.0=4...(10) HB ILE 80 - HA ASN 108 lone 9 97 - 9 - 2.1/7671=3, 3.2/7671=2 HB3 GLU 73 - HA ARG 57 poor 8 63 - 13 - ~6076=1, ~1639=1, 4.1/345=1 HB2 LEU 21 - HA ALA 98 lone 7 97 - 8 - ~6405=1 HG LEU 58 - HA ASN 108 lone 7 85 - 8 - 1324/3.6=4 HB2 ARG 81 - HA ASN 108 lone 7 97 - 7 - ~538=2, ~539=1 HB2 LYS 109 - HA ALA 98 lone 7 78 - 8 - 4.0/5864=3, 4.6/6197=3 HB2 GLU 28 - HA ALA 98 lone 6 97 - 6 - 3.8/6177=1 HB3 GLU 73 - HA ALA 98 lone 6 100 - 6 - 8536/2.1=2 HB3 GLU 64 - HA ARG 57 poor 6 46 - 13 - 1049/3.6=2, 1.8/8508=2...(4) HB2 LEU 84 - HA ASN 108 lone 6 93 - 6 - 3.1/7670=1 HB2 LYS 109 - HA ARG 57 poor 6 43 - 13 - 1049/3.6=4, ~6210=3...(4) HB2 GLU 64 - HA ARG 57 poor 6 43 - 13 - 1049/3.6=2, 1.8/8508=2...(4) HB ILE 22 - HA ALA 98 lone 5 99 - 5 - HB ILE 80 - HA ARG 57 lone 5 62 - 7 - 1049/3.6=2, 2.1/7410=1 HB3 GLU 64 - HA ALA 98 lone 4 83 - 5 - HG LEU 58 - HA ALA 98 lone 4 89 - 5 - HB2 GLU 64 - HA ALA 98 lone 4 78 - 5 - HB2 GLU 28 - HA ASN 108 lone 4 94 - 4 - HB3 MET 11 - HA ALA 98 lone 4 100 - 4 - 4.1/1724=2 HG LEU 84 - HA ASN 108 lone 4 62 - 6 - 2.1/7670=2, 2.1/7488=1 HB3 GLU 64 - HA ASN 108 lone 3 79 - 4 - HB2 GLU 64 - HA ASN 108 lone 3 75 - 4 - HB3 LYS 119 - HA ALA 98 lone 3 63 - 5 - HB3 GLU 73 - HA ASN 108 lone 3 98 - 3 - HB2 LEU 21 - HA ASN 108 lone 3 94 - 3 - HB ILE 22 - HA ASN 108 lone 3 97 - 3 - HB2 GLU 38 - HA ALA 98 lone 2 68 - 3 - HB3 MET 11 - HA ASN 108 lone 2 99 - 2 - HB2 LEU 84 - HA ARG 57 lone 2 57 - 4 - HB3 GLU 69 - HA ARG 57 lone 2 33 - 7 - HB2 GLU 38 - HA ASN 108 lone 2 65 - 3 - HB3 LYS 119 - HA ASN 108 lone 2 60 - 3 - 1324/3.6=2 HB ILE 22 - HA ARG 57 lone 2 62 - 3 - HB2 GLU 28 - HA ARG 57 lone 2 58 - 3 - HB3 GLU 69 - HA ALA 98 lone 1 63 - 2 - HB3 MET 11 - HA ARG 57 lone 1 64 - 2 - HG LEU 84 - HA ARG 57 lone 1 35 - 3 - HB3 GLU 69 - HA ASN 108 lone 1 60 - 2 - Peak 8444 from cnoeabs.peaks (2.17, 1.03, 27.12 ppm; 4.27 A): 2 out of 6 assignments used, quality = 0.79: HG12 ILE 80 + QD2 LEU 101 OK 67 96 - 70 - 2.1/7418=16, 1.8/7713=14...(17) HB VAL 26 + QD2 LEU 101 OK 37 83 - 45 - 2.1/7710=14, 2.1/7710=14...(7) HG2 GLU 69 - QD2 LEU 101 poor 8 68 - 12 - 1.8/4681=2, 3.0/7715=1, ~4674=1 HG2 PRO 37 - QD2 LEU 101 poor 7 65 - 10 - 3.8/7717=2, ~7701=2 HB VAL 49 - QD2 LEU 101 lone 6 96 - 6 - HB2 GLU 73 - QD2 LEU 101 lone 5 92 - 5 - Peak 8445 from cnoeabs.peaks (1.39, 0.99, 22.75 ppm; 3.86 A): 3 out of 8 assignments used, quality = 0.93: HB VAL 110 + QD1 LEU 101 OK 83 99 - 84 - 2.1/7709=41, 2.1/7708=24...(14) HB2 LEU 27 + QD1 LEU 101 OK 41 98 - 41 - 4.0/7722=4, 1.8/4678=4...(20) HB3 LEU 93 + QD1 LEU 101 OK 26 100 - 26 - 3.8/8743=6, 1.8/7610=3...(6) HG2 LYS 31 - QD1 LEU 101 OK 21 89 - 24 - 4.7/5836=2, 3.0/4676=2...(8) HB2 LEU 111 - QD1 LEU 101 OK 20 100 - 20 - 4987/7709=3, 7886/4.7=2...(7) QG2 THR 121 - QD1 LEU 101 OK 15 97 - 15 - 8086/2.1=2, 2.1/8082=2...(4) HG LEU 59 - QD1 LEU 101 lone 8 93 - 8 - ~7713=1 QB ALA 122 - QD1 LEU 101 lone 2 71 - 3 - Peak 8446 from cnoeabs.peaks (3.64, 1.61, 27.58 ppm; 4.36 A): 4 out of 10 assignments used, quality = 0.93: HA ILE 80 + HG LEU 101 OK 59 97 - 61 - 7702/2.1=14, 7422/2.1=13...(14) HA LYS 46 + HG LEU 101 OK 56 97 - 58 - 6859/2.1=13, ~7721=11...(15) HA LEU 41 + HG2 ARG 53 OK 46 100 - 47 - 2781/1.8=7, 3.0/3145=7...(14) HD2 PRO 70 + HG LEU 101 OK 29 60 - 48 - 7702/2.1=7, 7716/2.1=7...(16) HA LYS 46 - HG2 ARG 53 OK 22 100 - 22 - 6860=5, 3.0/3148=2...(6) HA LEU 41 - HG LEU 101 OK 16 96 - 17 - 7702/2.1=5, 3.0/3145=2...(5) HD2 PRO 70 - HG2 ARG 53 OK 11 65 - 16 - 2.3/3148=2, ~8326=2...(5) HA ILE 80 - HG2 ARG 53 lone 7 100 - 7 - 7423/6966=1 HA VAL 115 - HG LEU 101 lone 7 74 - 9 - 7702/2.1=2, 7716/2.1=2, ~7713=1 HA VAL 115 - HG2 ARG 53 lone 2 81 - 3 - Peak 8447 from cnoeabs.peaks (4.03, 1.62, 27.50 ppm; 5.07 A): 10 out of 24 assignments used, quality = 0.94: HA TYR 102 + HG LEU 101 OK 55 95 - 58 - ~505=14, 7739/2.1=11...(9) HA LEU 55 + HG2 ARG 53 OK 28 70 - 41 - 3.6/7021=6, ~1027=4...(18) HA PHE 107 + HG2 ARG 53 OK 27 60 - 46 - 3.0/5617=10, ~5618=10...(13) HD3 PRO 37 + HG2 ARG 53 OK 26 92 - 29 - ~8432=5, ~6973=3...(13) HA PHE 107 + HG LEU 101 OK 22 65 - 34 - 7701/2.1=12, 7811/7734=7...(7) HA GLN 16 + HG LEU 101 OK 20 100 - 20 - 7701/2.1=5, ~5836=2...(11) HA LYS 109 + HG LEU 101 OK 15 85 - 18 - ~7724=9, 7701/2.1=4, ~7715=1 HA LYS 109 + HB3 GLN 42 OK 13 33 - 38 - ~5568=6, 4880/4.6=5...(11) HA ALA 14 + HG LEU 101 OK 12 96 - 13 - 7701/2.1=4, 1900/3.0=1, ~6300=1 HD3 PRO 37 + HG LEU 101 OK 11 97 - 11 - 7701/2.1=3, ~8444=2, ~6682=1 HA SER 112 - HB3 GLN 42 poor 9 26 - 35 - ~2827=8, ~2851=5...(11) HA SER 112 - HG2 ARG 53 poor 9 65 - 14 - 3.0/3146=2, 3.0/3146=2...(6) HA LEU 55 - HG LEU 101 poor 8 76 - 10 - 8292/2.1=2, 8292/2.1=2 HA LYS 109 - HG2 ARG 53 lone 6 79 - 7 - 6208/3.9=2 HA ALA 14 - HB3 GLN 42 poor 5 40 - 13 - 6297/1.8=3, ~6304=3...(5) HA TYR 102 - HG2 ARG 53 lone 5 89 - 6 - 2.9/5835=2 HA PHE 107 - HB3 GLN 42 poor 4 24 - 18 - ~8268=6, 5.6/7819=3...(6) HA GLN 16 - HG2 ARG 53 lone 3 97 - 3 - HA ALA 14 - HG2 ARG 53 lone 3 90 - 3 - HA TYR 102 - HB3 GLN 42 lone 2 39 - 6 - 2.9/503=2 HA SER 112 - HG LEU 101 lone 2 71 - 3 - HD3 PRO 37 - HB3 GLN 42 lone 2 42 - 4 - HA LEU 55 - HB3 GLN 42 lone 2 29 - 6 - HA GLN 16 - HB3 GLN 42 lone 1 45 - 3 - Peak 8448 from cnoeabs.peaks (2.71, 2.28, 33.51 ppm; 4.88 A): 4 out of 12 assignments used, quality = 0.87: HB3 ASN 99 + HG2 GLN 105 OK 46 98 - 47 - 8533=20, 8533/1.8=17...(7) HB3 ASN 99 + HG3 GLN 105 OK 46 98 - 47 - 8533=20, 8533/1.8=17...(7) HB3 ASN 106 + HG2 GLN 105 OK 34 99 - 35 - 3.9/528=14, ~7782=9...(5) HB3 ASN 106 + HG3 GLN 105 OK 34 99 - 35 - 3.9/528=14, ~7782=9...(5) HB3 ASN 108 - HG3 GLN 105 poor 10 96 - 10 - 4814/4.8=6, 7693/7697=1 HB3 ASN 108 - HG2 GLN 105 poor 10 96 - 10 - 4814/4.8=6, 7693/7697=1 HE3 LYS 65 - HG2 GLN 105 lone 2 95 - 2 - HE3 LYS 65 - HG3 GLN 105 lone 2 94 - 2 - HB3 ASN 106 - HG2 GLN 16 lone 1 38 - 3 - 3.9/527=2 HB3 ASN 99 - HG2 GLN 16 lone 1 38 - 2 - HB3 ASN 108 - HG2 GLN 16 lone 1 35 - 2 - HE3 LYS 65 - HG2 GLN 16 lone 0 35 - 1 - Peak 8449 from cnoeabs.peaks (0.02, 1.86, 32.56 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.77: QG2 VAL 110 + HB3 LYS 109 OK 77 100 - 78 - 8450/1.8=40, 1336/4.6=34...(8) Peak 8450 from cnoeabs.peaks (0.01, 1.94, 32.56 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.78: QG2 VAL 110 + HB2 LYS 109 OK 78 100 - 78 - 8449/1.8=40, 1336/4.6=34...(7) Peak 8452 from cnoeabs.peaks (4.82, 1.86, 32.56 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.87: HA PHE 96 + HB3 LYS 109 OK 79 99 - 80 - 8453/1.8=31, 3.0/7847=24...(11) HA TYR 67 + HB3 LYS 109 OK 31 99 - 31 - 8453/1.8=10, 5.6/5869=4...(11) HA ASP 97 + HB3 LYS 109 OK 12 60 - 20 - 8589/4.7=5, 8589/4.7=5...(4) Peak 8453 from cnoeabs.peaks (4.81, 1.94, 32.56 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.82: HA PHE 96 + HB2 LYS 109 OK 76 100 - 76 - 8452/1.8=25, 3.0/7846=23...(11) HA TYR 67 + HB2 LYS 109 OK 25 96 - 26 - 8452/1.8=10, 5.6/5868=4...(7) Peak 8454 from cnoeabs.peaks (4.82, 1.76, 28.93 ppm; 4.13 A): 4 out of 6 assignments used, quality = 0.93: HA PHE 96 + HD2 LYS 109 OK 61 93 - 66 - 8453/3.9=13, 8452/3.9=12...(15) HA PHE 96 + HD3 LYS 109 OK 61 93 - 66 - 8453/3.9=13, 8452/3.9=12...(15) HA ASP 97 + HD2 LYS 109 OK 31 81 - 39 - 3.0/7836=9, ~7836=6...(9) HA ASP 97 + HD3 LYS 109 OK 31 80 - 38 - 3.0/7836=9, ~7836=6...(9) HA TYR 67 - HD2 LYS 109 OK 20 100 - 20 - 8452/3.9=5, 8453/3.9=4...(7) HA TYR 67 - HD3 LYS 109 OK 20 100 - 20 - 8452/3.9=5, 8453/3.9=4...(5) Peak 8455 from cnoeabs.peaks (0.82, 4.44, 62.45 ppm; 4.95 A): 6 out of 18 assignments used, quality = 0.92: QG1 VAL 115 + HA SER 113 OK 57 97 - 60 - 4.3/1775=15, 4.0/1768=14...(12) QD1 LEU 93 + HA SER 113 OK 41 97 - 42 - 8525=13, 8528/3.6=7...(9) QD2 LEU 91 + HA SER 113 OK 27 100 - 27 - 5792/3.6=7, 7937/3.0=3...(10) QD1 LEU 111 + HA SER 113 OK 27 78 - 34 - 7898/3.6=5, 7918/4.9=5...(13) HB2 ASN 118 + HA SER 113 OK 21 100 - 21 - 5912/3.0=5, 7937/3.0=3...(7) HG13 ILE 22 + HA SER 113 OK 20 85 - 24 - 3.2/6433=5, 2.1/6437=4...(7) HB2 ASN 118 - HA THR 121 OK 20 45 - 44 - ~6262=12, ~1800=11...(7) QD1 ILE 22 - HA SER 113 OK 20 87 - 23 - 3.0/6433=5, 6437=4...(9) QD1 LEU 93 - HA THR 121 OK 12 42 - 30 - ~8085=7, 4508/3.2=5...(11) QD1 LEU 111 - HA THR 121 OK 12 30 - 41 - ~8085=7, 5018/3.0=6...(16) QD2 LEU 55 - HA SER 113 poor 9 60 - 15 - 7918/4.9=2, 7932/3.0=2...(6) QD1 LEU 59 - HA SER 113 lone 7 76 - 9 - 7932/3.0=2, 7937/3.0=2 QD2 LEU 91 - HA THR 121 poor 6 45 - 13 - ~8085=4, ~8371=2, 8376=2 QD1 ILE 22 - HA THR 121 poor 5 34 - 14 - 6437=3, ~8476=2...(6) QD1 LEU 59 - HA THR 121 poor 5 28 - 16 - ~8081=3, ~1399=1...(7) HG13 ILE 22 - HA THR 121 poor 5 33 - 14 - 2.1/6437=3, 8476/3.2=2...(6) QG1 VAL 115 - HA THR 121 lone 4 41 - 9 - 4.3/1775=2, ~8075=2 QD2 LEU 55 - HA THR 121 lone 2 21 - 9 - ~8075=2, ~8090=2, ~8084=1 Peak 8456 from cnoeabs.peaks (1.26, 1.94, 32.09 ppm; 4.06 A): 5 out of 16 assignments used, quality = 0.94: QG2 THR 116 + HB3 LYS 119 OK 64 96 - 67 - 8457/1.8=11, 5127/3.0=8...(21) HG3 LYS 32 + HB3 PRO 30 OK 43 88 - 49 - 5.0/6610=9, 2527/2.3=6...(27) QD1 ILE 80 + HB3 LYS 119 OK 37 97 - 39 - 8457/1.8=6, 7411/3.0=5...(16) QG2 ILE 80 + HB3 LYS 119 OK 37 97 - 38 - 8457/1.8=6, 7408/3.0=4...(14) HG3 LYS 32 + HB3 LYS 119 OK 26 100 - 26 - 8457/1.8=4, 5.0/6610=2...(10) QD1 ILE 80 - HB3 PRO 30 OK 26 82 - 31 - 4101/1.8=3, 7417/2.3=3...(15) QG2 THR 19 - HB3 LYS 119 OK 24 100 - 24 - 6376/1.8=4, 2015/3.0=3...(9) QG2 ILE 80 - HB3 PRO 30 OK 24 83 - 28 - 4080/1.8=3, ~4073=2...(10) QG2 THR 116 - HB3 PRO 30 poor 8 81 - 10 - 4.3/5916=1 HG LEU 77 - HB3 LYS 119 lone 7 73 - 10 - 3.7/6108=1, ~4019=1, 4012/3.0=1 QG2 THR 19 - HB3 PRO 30 lone 6 88 - 6 - 8421/2.3=2 HG LEU 54 - HB3 PRO 30 lone 5 56 - 9 - HG LEU 54 - HB3 LYS 119 lone 5 71 - 7 - 8457/1.8=1 HG LEU 77 - HB3 PRO 30 lone 4 59 - 7 - 4011/3.9=2, 3.7/6108=1 HG13 ILE 124 - HB3 PRO 30 lone 2 71 - 3 - HG13 ILE 124 - HB3 LYS 119 lone 2 87 - 2 - Peak 8457 from cnoeabs.peaks (1.27, 1.88, 32.09 ppm; 4.05 A): 5 out of 6 assignments used, quality = 0.93: QG2 THR 116 + HB2 LYS 119 OK 69 100 - 69 - 5127/3.0=9, 7981/4.0=9...(21) QD1 ILE 80 + HB2 LYS 119 OK 37 100 - 37 - 7411/3.0=5, 8456/1.8=4...(16) QG2 ILE 80 + HB2 LYS 119 OK 36 100 - 36 - 7408/3.0=4, 8440/4.7=4...(14) HG3 LYS 32 + HB2 LYS 119 OK 25 97 - 26 - 8456/1.8=3, 5.0/121=2...(8) QG2 THR 19 + HB2 LYS 119 OK 22 93 - 24 - 6376=4, 3.2/5201=3...(9) HG LEU 54 - HB2 LYS 119 lone 7 97 - 7 - Peak 8458 from cnoeabs.peaks (8.31, 4.27, 53.98 ppm; 5.43 A): 0 out of 8 assignments used, low quality = 0.29: H GLY 125 - HA ALA 122 OK 17 97 - 18 - 4.7/8111=14, 4.6/8095=2 H CYS 87 - HA ALA 89 OK 14 31 - 46 - 1712/2.9=16, ~6164=10...(6) H ILE 22 - HA ALA 122 lone 5 96 - 5 - 6429/2.1=1 H CYS 87 - HA ALA 122 lone 4 98 - 4 - H THR 62 - HA ALA 122 lone 2 93 - 3 - 1527/8111=1 H GLY 125 - HA ALA 89 lone 2 31 - 8 - 1712/2.9=2, 1528/3.6=2 H ILE 22 - HA ALA 89 lone 2 30 - 8 - 1712/2.9=4 H THR 62 - HA ALA 89 lone 1 28 - 4 - 1712/2.9=2 Peak 8459 from cnoeabs.peaks (3.71, 1.33, 22.28 ppm; 4.73 A): 3 out of 5 assignments used, quality = 0.84: HB2 TRP 20 + QG2 THR 17 OK 76 100 - 76 - 5967/3.2=20, 4.2/6344=20...(9) HA3 GLY 86 + QG2 THR 17 OK 24 92 - 26 - 5967/3.2=7, 3.0/5456=4...(8) HD3 PRO 30 + QG2 THR 17 OK 14 90 - 15 - 5967/3.2=4, 6588/4.4=2...(6) HA2 GLY 104 - QG2 THR 17 lone 4 99 - 4 - 5967/3.2=1 HB3 SER 90 - QG2 THR 17 lone 2 65 - 4 - Peak 8460 from cnoeabs.peaks (3.62, 1.33, 22.28 ppm; 4.77 A): 6 out of 7 assignments used, quality = 0.92: HA VAL 115 + QG2 THR 17 OK 61 100 - 61 - ~8603=18, ~7976=11...(12) HA LEU 111 + QG2 THR 17 OK 51 97 - 52 - 4.0/6336=22, 4.0/8166=21...(6) HA LYS 46 + QG2 THR 17 OK 28 83 - 34 - 2.9/6345=11, 3.0/6338=6...(8) HA LEU 41 + QG2 THR 17 OK 25 68 - 37 - 3.0/6338=9, 4.1/8265=7...(8) HD2 PRO 70 + QG2 THR 17 OK 17 99 - 17 - 1.8/8461=4, 3.0/6339=2 HA ILE 80 + QG2 THR 17 OK 13 85 - 15 - 8512/3.2=1, ~7407=1 HA2 GLY 39 - QG2 THR 17 lone 6 95 - 7 - 6011/6784=1 Peak 8461 from cnoeabs.peaks (3.48, 1.33, 22.28 ppm; 4.55 A): 4 out of 5 assignments used, quality = 0.87: HA VAL 18 + QG2 THR 17 OK 77 100 - 77 - 3.0/5456=25, 6357=21...(12) HA LEU 84 + QG2 THR 17 OK 22 90 - 25 - 823/4.4=3, 6417/8194=3...(12) HB3 SER 44 + QG2 THR 17 OK 16 95 - 17 - 3.0/6826=3, 4.0/185=3...(5) HD3 PRO 70 + QG2 THR 17 OK 13 73 - 18 - 823/4.4=6, 1.8/8460=3...(5) HB2 SER 44 - QG2 THR 17 poor 9 63 - 14 - 3.0/6826=3, 4.0/185=3...(4) Peak 8462 from cnoeabs.peaks (3.22, 1.33, 22.28 ppm; 5.31 A): 3 out of 5 assignments used, quality = 0.93: HB3 TRP 20 + QG2 THR 17 OK 85 100 - 85 - 1.8/8459=29, 4.5/6346=25...(10) HA GLN 42 + QG2 THR 17 OK 46 97 - 48 - 5969/3.2=9, 6785=8...(15) HB3 PHE 83 + QG2 THR 17 OK 15 93 - 16 - 1.8/6340=4, 5969/3.2=2 HD2 ARG 71 - QG2 THR 17 lone 9 100 - 9 - 5969/3.2=2 HD2 ARG 81 - QG2 THR 17 lone 5 78 - 7 - 4.7/6136=1 Peak 8463 from cnoeabs.peaks (5.03, 1.33, 22.28 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HG1 THR 17 + QG2 THR 17 OK 100 100 - 100 - 3.0=100 Peak 8465 from cnoeabs.peaks (5.03, 4.33, 67.65 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.99: HG1 THR 17 + HB THR 17 OK 99 99 - 100 - 2.8=100 Peak 8466 from cnoeabs.peaks (5.04, 4.23, 67.21 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: HG1 THR 17 + HA THR 17 OK 100 100 - 100 - 4.1=100 Peak 8469 from cnoeabs.peaks (5.11, 1.33, 22.28 ppm; 4.60 A): 0 out of 1 assignment used, low quality = 0.33: HA ASP 36 - QG2 THR 17 OK 33 96 - 35 - 8470/2.1=31, 3.8/6341=4 Peak 8470 from cnoeabs.peaks (5.12, 4.33, 67.65 ppm; 5.13 A): 0 out of 1 assignment used, low quality = 0.40: HA ASP 36 - HB THR 17 OK 40 85 - 47 - 8469/2.1=42, 3.8/5953=4 Peak 8471 from cnoeabs.peaks (5.05, 2.08, 28.51 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.88: HG1 THR 17 + HB3 GLN 16 OK 66 93 - 71 - 8467/4.1=29, 8472/4.0=27...(13) HG1 THR 17 + HB2 GLN 16 OK 66 93 - 71 - 8467/4.1=29, 8472/4.0=27...(13) Peak 8473 from cnoeabs.peaks (5.07, 3.76, 63.16 ppm; 5.01 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8474 from cnoeabs.peaks (3.83, 1.85, 28.58 ppm; 5.29 A): 2 out of 13 assignments used, quality = 0.96: HB3 SER 29 + HG12 ILE 22 OK 81 92 - 88 - ~6437=23, ~6574=21...(17) HB2 SER 29 + HG12 ILE 22 OK 80 90 - 89 - ~6437=23, ~6574=21...(17) HA THR 116 - HG12 ILE 22 OK 43 100 - 43 - 5982/2.9=6, ~6432=6...(13) HA THR 19 - HG12 ILE 22 OK 37 92 - 41 - 5982/2.9=6, 1565/5.0=6...(11) HA LYS 119 - HG12 ILE 22 OK 33 100 - 33 - 8475/1.8=4, 5982/2.9=4...(13) HA LEU 77 - HG12 ILE 22 OK 20 97 - 20 - 6108/2.9=3, 1565/5.0=2...(6) HA3 GLY 88 - HG12 ILE 22 OK 19 93 - 20 - ~7553=5, ~7554=3...(10) HA2 GLY 88 - HG12 ILE 22 OK 17 87 - 19 - ~7553=5, ~7554=3...(9) HA GLU 15 - HG12 ILE 22 OK 11 78 - 14 - 5982/2.9=2, 1565/5.0=2...(6) HA3 GLY 39 - HG12 ILE 22 poor 10 81 - 12 - ~6428=3, ~6012=2...(5) HB2 SER 90 - HG12 ILE 22 poor 9 57 - 16 - ~7579=4, ~7572=2...(6) HB2 SER 35 - HG12 ILE 22 lone 4 60 - 7 - ~6291=2, ~6289=1, 5982/2.9=1 HA3 GLY 104 - HG12 ILE 22 lone 3 63 - 5 - Peak 8475 from cnoeabs.peaks (3.83, 0.84, 28.58 ppm; 5.46 A): 3 out of 13 assignments used, quality = 0.98: HB3 SER 29 + HG13 ILE 22 OK 82 92 - 90 - ~6437=25, ~6574=22...(18) HB2 SER 29 + HG13 ILE 22 OK 81 90 - 90 - ~6437=25, ~6574=22...(18) HA THR 116 + HG13 ILE 22 OK 55 100 - 55 - ~6432=6, 5982/2.9=6...(19) HA LYS 119 - HG13 ILE 22 OK 44 100 - 44 - 5982/2.9=4, 3.0/8030=4...(17) HA THR 19 - HG13 ILE 22 OK 40 92 - 44 - 5982/2.9=6, 5980/5.0=6...(12) HA3 GLY 88 - HG13 ILE 22 OK 25 93 - 26 - 3.0/7553=7, ~7554=3...(12) HA2 GLY 88 - HG13 ILE 22 OK 22 87 - 25 - 3.0/7553=7, ~7554=3...(11) HA LEU 77 - HG13 ILE 22 OK 19 97 - 20 - 6108/2.9=3, 1565/5.0=2...(7) HB2 SER 90 - HG13 ILE 22 OK 14 57 - 25 - 1.8/7579=5, 3.0/7572=3...(11) HA GLU 15 - HG13 ILE 22 OK 12 78 - 16 - 1565/5.0=2, 5982/2.9=2...(6) HA3 GLY 39 - HG13 ILE 22 poor 10 81 - 12 - ~6428=3, ~6012=2...(6) HB2 SER 35 - HG13 ILE 22 lone 5 60 - 8 - ~6291=2, ~6289=1, 5982/2.9=1 HA3 GLY 104 - HG13 ILE 22 lone 3 63 - 5 - Peak 8476 from cnoeabs.peaks (1.39, 0.84, 28.58 ppm; 5.12 A): 4 out of 8 assignments used, quality = 0.99: HB2 LEU 27 + HG13 ILE 22 OK 89 98 - 91 - ~8477=16, 3.0/8619=15...(29) HB2 LEU 111 + HG13 ILE 22 OK 62 100 - 62 - ~6443=12, 5002/2.1=10...(18) HG LEU 59 + HG13 ILE 22 OK 47 93 - 51 - 8414/1.8=6, 6442/2.1=5...(18) HB3 LEU 93 + HG13 ILE 22 OK 47 100 - 47 - 4490=5, 6442/2.1=4...(20) QG2 THR 121 - HG13 ILE 22 OK 27 97 - 27 - 8084/3.2=3, 8090/2.9=3...(9) HB VAL 110 - HG13 ILE 22 OK 16 99 - 16 - ~6444=4, 2.1/7874=4...(5) HG2 LYS 31 - HG13 ILE 22 poor 10 89 - 11 - QB ALA 122 - HG13 ILE 22 lone 4 71 - 6 - Peak 8477 from cnoeabs.peaks (1.01, 1.85, 28.58 ppm; 4.52 A): 5 out of 7 assignments used, quality = 0.93: HB3 LEU 27 + HG12 ILE 22 OK 80 100 - 80 - 8484=11, 8481/1.8=10...(27) QD1 LEU 58 + HG12 ILE 22 OK 31 97 - 32 - ~8420=5, 2.1/2163=3...(13) QD2 LEU 58 + HG12 ILE 22 OK 29 87 - 33 - 8420/2.1=4, 7051/5.0=3...(15) QG1 VAL 18 + HG12 ILE 22 OK 19 65 - 29 - ~6440=7, ~6443=5...(10) QG1 VAL 120 + HG12 ILE 22 OK 13 85 - 15 - 8050/1.8=2, ~8052=2...(6) QD2 LEU 101 - HG12 ILE 22 lone 6 83 - 7 - 7713/1.8=2, 68/5.0=1 QD1 LEU 101 - HG12 ILE 22 lone 4 68 - 6 - ~7713=2 Peak 8478 from cnoeabs.peaks (1.32, 4.10, 55.54 ppm; 4.07 A): 5 out of 9 assignments used, quality = 0.91: QG2 THR 23 + HA LEU 24 OK 76 99 - 77 - 5486/3.0=22, 6459=21...(9) HG2 LYS 46 + HA LEU 24 OK 28 99 - 29 - 82/3.0=4, 2.9/2198=4...(13) HG3 LYS 46 + HA LEU 24 OK 28 99 - 29 - 82/3.0=4, 2.9/2198=4...(13) QG2 THR 17 + HA LEU 24 OK 13 99 - 13 - 8194/4.0=5, 82/3.0=2...(4) HG3 LYS 119 + HA LEU 24 OK 12 100 - 12 - 1.8/2198=2, 82/3.0=2...(4) HB3 LEU 84 - HA LEU 24 poor 10 95 - 10 - 82/3.0=4, ~8200=2...(4) QB ALA 43 - HA LEU 24 lone 4 97 - 4 - HG CYS 87 - HA LEU 24 lone 3 97 - 3 - 82/3.0=1 HB3 LEU 59 - HA LEU 24 lone 1 76 - 2 - Peak 8479 from cnoeabs.peaks (1.83, 1.51, 43.84 ppm; 4.43 A): 6 out of 22 assignments used, quality = 0.88: HB3 ARG 57 + HB2 LEU 24 OK 57 81 - 71 - ~7041=13, ~6469=8...(33) HG LEU 41 + HB2 LEU 24 OK 46 100 - 46 - 6751/1.8=8, ~6754=8...(12) HG2 GLU 73 + HB2 LEU 24 OK 18 100 - 18 - 8741/3.1=3, 7290/1.8=3...(6) HG3 GLU 73 + HB2 LEU 24 OK 18 99 - 18 - 8741/3.1=3, 7290/1.8=3...(6) HG12 ILE 22 + HB3 LEU 58 OK 14 47 - 30 - 8477/3.1=5, 8477/3.1=4...(12) HB3 ARG 57 + HB3 LEU 58 OK 11 38 - 30 - 266/3.9=11, 7037/3.1=3...(7) HG3 ARG 53 - HB2 LEU 24 lone 8 99 - 8 - 6967/8615=2, 6967/8615=2 HB3 ARG 92 - HB3 LEU 58 poor 8 29 - 28 - 1.8/4427=3, 266/3.9=2...(16) HG2 GLU 75 - HB2 LEU 24 lone 8 83 - 10 - 8741/3.1=1, ~3975=1 HB3 ARG 92 - HB2 LEU 24 poor 7 65 - 11 - 1.8/4426=1, ~2210=1 HG13 ILE 63 - HB3 LEU 58 poor 5 48 - 11 - 266/3.9=3, ~7145=2, ~7055=1 HB3 GLN 105 - HB2 LEU 24 lone 5 92 - 5 - 4.0/2201=2, 4778/3.9=1 HG12 ILE 22 - HB2 LEU 24 lone 5 93 - 5 - ~6443=1, ~8208=1 HB2 GLU 69 - HB3 LEU 58 lone 4 55 - 8 - HG LEU 41 - HB3 LEU 58 lone 3 55 - 6 - HB2 GLU 69 - HB2 LEU 24 lone 3 100 - 3 - HG3 ARG 53 - HB3 LEU 58 lone 3 53 - 5 - HG13 ILE 63 - HB2 LEU 24 lone 3 95 - 3 - HG2 GLU 73 - HB3 LEU 58 lone 2 54 - 4 - HG3 GLU 73 - HB3 LEU 58 lone 2 53 - 4 - HG2 GLU 75 - HB3 LEU 58 lone 1 39 - 4 - HB3 GLN 105 - HB3 LEU 58 lone 1 46 - 3 - Peak 8480 from cnoeabs.peaks (0.21, 2.19, 31.17 ppm; 4.64 A): 3 out of 6 assignments used, quality = 0.95: QD1 LEU 54 + HB VAL 26 OK 81 100 - 81 - 8213/2.1=30, 8223/2.1=28...(17) QD2 LEU 21 + HB VAL 26 OK 61 85 - 72 - 8213/2.1=19, 8223/2.1=14...(21) QD1 LEU 54 + HB VAL 49 OK 27 82 - 33 - 6985/2.1=7, ~8494=5...(13) QD1 LEU 54 - HB3 PRO 37 OK 15 83 - 18 - 4.8/8422=3, 8213/2254=2...(5) QD2 LEU 21 - HB VAL 49 OK 13 63 - 21 - 3.7/8225=2, 6411/2.1=2...(10) QD2 LEU 21 - HB3 PRO 37 lone 5 64 - 8 - 8213/2254=1 Peak 8481 from cnoeabs.peaks (0.84, 1.01, 47.11 ppm; 4.80 A): 3 out of 9 assignments used, quality = 0.95: HG13 ILE 22 + HB3 LEU 27 OK 84 100 - 84 - 1.8/8477=19, 8619/3.0=14...(27) QD1 LEU 59 + HB3 LEU 27 OK 50 100 - 51 - 8482/1.8=7, 8619/3.0=7...(20) QD2 LEU 55 + HB3 LEU 27 OK 38 99 - 39 - 4.0/8292=5, 8482/1.8=5...(16) QD1 LEU 93 - HB3 LEU 27 OK 34 97 - 35 - 8482/1.8=5, 8619/3.0=4...(13) QG1 VAL 115 - HB3 LEU 27 OK 26 97 - 27 - 8482/1.8=4, 8619/3.0=4...(10) QD2 LEU 91 - HB3 LEU 27 OK 21 73 - 28 - 8482/1.8=4, 8370=3...(11) HG13 ILE 80 - HB3 LEU 27 OK 20 60 - 34 - 2.1/7418=5, 4.0/7422=4...(13) QD2 LEU 114 - HB3 LEU 27 OK 16 96 - 17 - 7946/6930=2, 7950/4.0=2...(6) HB2 ASN 118 - HB3 LEU 27 OK 15 87 - 18 - 3.0/8021=4, ~8023=2...(6) Peak 8482 from cnoeabs.peaks (0.83, 1.40, 47.11 ppm; 4.59 A): 3 out of 8 assignments used, quality = 0.95: HG13 ILE 22 + HB2 LEU 27 OK 85 100 - 86 - 8619/3.0=13, ~8477=13...(29) QD1 LEU 59 + HB2 LEU 27 OK 51 98 - 52 - 8619/3.0=6, 8481/1.8=6...(18) QD1 LEU 93 + HB2 LEU 27 OK 35 100 - 35 - 8481/1.8=4, 8619/3.0=4...(14) QD2 LEU 55 - HB2 LEU 27 OK 34 92 - 37 - 8481/1.8=5, 8619/3.0=4...(14) QG1 VAL 115 - HB2 LEU 27 OK 25 100 - 25 - 8619/3.0=3, 8481/1.8=3...(8) QD2 LEU 91 - HB2 LEU 27 OK 24 89 - 26 - 8370/1.8=4, ~8373=3...(9) HB2 ASN 118 - HB2 LEU 27 OK 14 97 - 15 - 3.0/8023=3, ~8021=3...(5) QD2 LEU 114 - HB2 LEU 27 OK 11 85 - 13 - 8481/1.8=2, 7950/4.0=1 Peak 8483 from cnoeabs.peaks (1.83, 1.40, 47.11 ppm; 4.70 A): 2 out of 11 assignments used, quality = 0.94: HG12 ILE 22 + HB2 LEU 27 OK 78 93 - 83 - 8477/1.8=17, 1.8/8482=12...(26) HG LEU 41 + HB2 LEU 27 OK 74 100 - 74 - 6524/3.1=11, 8485/3.0=10...(29) HG13 ILE 63 - HB2 LEU 27 OK 28 95 - 30 - 6524/3.1=5, 8484/1.8=4...(11) HG3 GLU 73 - HB2 LEU 27 OK 26 99 - 26 - 8484/1.8=4, 8485/3.0=3...(9) HG2 GLU 73 - HB2 LEU 27 OK 26 100 - 26 - 8484/1.8=4, 8485/3.0=3...(9) HG3 ARG 53 - HB2 LEU 27 OK 13 99 - 14 - 6967/6517=2, 8484/1.8=2...(5) HB3 ARG 57 - HB2 LEU 27 poor 9 81 - 11 - 8484/1.8=2, ~7038=2...(4) HB2 GLU 69 - HB2 LEU 27 lone 9 100 - 9 - 6524/3.1=2, 8484/1.8=1 HB3 ARG 92 - HB2 LEU 27 lone 5 65 - 7 - 4.2/1233=3 HG2 GLU 75 - HB2 LEU 27 lone 4 83 - 4 - HB3 GLN 105 - HB2 LEU 27 lone 3 92 - 3 - Peak 8484 from cnoeabs.peaks (1.83, 1.01, 47.11 ppm; 4.82 A): 2 out of 11 assignments used, quality = 0.95: HG12 ILE 22 + HB3 LEU 27 OK 80 93 - 86 - 8477=20, 8483/1.8=12...(27) HG LEU 41 + HB3 LEU 27 OK 76 100 - 76 - 6524/3.1=11, 8483/1.8=11...(29) HG13 ILE 63 - HB3 LEU 27 OK 29 95 - 31 - 6524/3.1=5, 8483/1.8=4...(11) HG3 GLU 73 - HB3 LEU 27 OK 28 99 - 28 - 8483/1.8=4, 8485/3.0=3...(12) HG2 GLU 73 - HB3 LEU 27 OK 28 100 - 28 - 8483/1.8=4, 8485/3.0=3...(12) HG3 ARG 53 - HB3 LEU 27 OK 14 99 - 14 - 6967/6518=2, 8483/1.8=2...(5) HB3 ARG 57 - HB3 LEU 27 OK 14 81 - 17 - 4.2/1051=3, 3.7/7031=3...(6) HB2 GLU 69 - HB3 LEU 27 lone 9 100 - 9 - 6524/3.1=2, 8483/1.8=1 HB3 ARG 92 - HB3 LEU 27 lone 4 65 - 6 - 4.2/7595=1 HG2 GLU 75 - HB3 LEU 27 lone 4 83 - 5 - HB3 GLN 105 - HB3 LEU 27 lone 3 92 - 3 - Peak 8485 from cnoeabs.peaks (1.83, 1.65, 26.55 ppm; 4.47 A): 2 out of 11 assignments used, quality = 0.93: HG LEU 41 + HG LEU 27 OK 76 100 - 76 - 6524/2.1=12, 2801=11...(30) HG12 ILE 22 + HG LEU 27 OK 71 93 - 76 - 1.8/8619=16, 8477/3.0=13...(22) HG13 ILE 63 - HG LEU 27 OK 25 95 - 26 - 6524/2.1=5, 3532/2.1=4...(8) HG2 GLU 73 - HG LEU 27 OK 24 100 - 24 - 6524/2.1=3, 8483/3.0=3...(9) HG3 GLU 73 - HG LEU 27 OK 24 99 - 25 - 6524/2.1=3, 8483/3.0=3...(9) HG3 ARG 53 - HG LEU 27 OK 10 99 - 10 - 6524/2.1=2, 8483/3.0=1 HB2 GLU 69 - HG LEU 27 lone 9 100 - 9 - 6524/2.1=3 HB3 ARG 57 - HG LEU 27 lone 6 81 - 8 - 8484/3.0=1, 6524/2.1=1, ~7038=1 HG2 GLU 75 - HG LEU 27 lone 4 83 - 4 - HB3 ARG 92 - HG LEU 27 lone 3 65 - 4 - HB3 GLN 105 - HG LEU 27 lone 3 92 - 3 - Peak 8486 from cnoeabs.peaks (1.92, 1.65, 26.55 ppm; 4.27 A): 3 out of 18 assignments used, quality = 0.95: HB ILE 22 + HG LEU 27 OK 74 97 - 77 - 2.9/8619=12, 6525/2.1=9...(29) HB2 LEU 21 + HG LEU 27 OK 68 99 - 68 - 3.1/6561=12, ~6529=11...(16) HG LEU 58 + HG LEU 27 OK 45 96 - 47 - 2.1/2286=7, 2.1/2286=6...(17) HB2 GLU 28 - HG LEU 27 OK 30 90 - 33 - 3.8/102=11, 6564/2.1=6...(8) HB ILE 80 - HG LEU 27 OK 24 100 - 24 - 6525/2.1=3, 7425/3.0=2...(10) HB3 GLU 73 - HG LEU 27 OK 18 98 - 18 - 2.9/8485=3, 2.9/8485=3...(8) HB2 ARG 85 - HG LEU 27 OK 14 65 - 22 - 4.0/1195=2, 3.0/4279=2...(10) HB3 ARG 85 - HG LEU 27 OK 14 65 - 22 - 4.0/1195=2, 3.0/4279=2...(10) HB2 LEU 84 - HG LEU 27 OK 14 89 - 16 - 4.0/5502=2, 4.3/1195=2...(5) HB2 GLU 38 - HG LEU 27 OK 12 81 - 15 - 3.0/6007=5, ~6708=2...(5) HB2 ARG 81 - HG LEU 27 lone 7 96 - 7 - 6525/2.1=1 HB3 GLU 69 - HG LEU 27 lone 6 76 - 7 - ~6524=2, 1.8/8485=1, 6525/2.1=1 HB3 PRO 30 - HG LEU 27 lone 6 65 - 9 - 3.9/5502=1, ~6598=1, ~6595=1 HB3 LYS 119 - HG LEU 27 lone 5 76 - 7 - ~8031=2, ~6272=1 HB3 GLU 64 - HG LEU 27 lone 5 92 - 5 - HB2 GLU 64 - HG LEU 27 lone 5 89 - 5 - HB2 LYS 109 - HG LEU 27 lone 3 89 - 3 - HB3 MET 11 - HG LEU 27 lone 3 100 - 3 - Peak 8487 from cnoeabs.peaks (1.96, 0.55, 26.43 ppm; 5.25 A): 4 out of 20 assignments used, quality = 0.99: HB3 PRO 30 + HG12 ILE 34 OK 91 96 - 95 - ~8489=25, ~6647=23...(19) HG LEU 45 + HG12 ILE 34 OK 70 96 - 74 - 3.0/2889=11, 2903=11...(16) HB2 ARG 85 + HG12 ILE 34 OK 45 96 - 47 - 8488/1.8=5, 3.0/2610=4...(21) HB3 ARG 85 + HG12 ILE 34 OK 45 96 - 47 - 8488/1.8=5, 3.0/2610=4...(21) HB2 LEU 41 - HG12 ILE 34 OK 19 76 - 26 - 1.8/2610=3, ~2624=2...(11) HG LEU 58 - HG12 ILE 34 OK 19 65 - 28 - ~6364=7, ~7065=7...(6) HG2 PRO 68 - HG12 ILE 34 OK 16 83 - 20 - 2.3/2609=4, 2.3/2609=4...(7) HB2 ARG 71 - HG12 ILE 34 OK 15 93 - 16 - ~6601=2, 3.0/6653=2...(6) HB3 PRO 68 - HG12 ILE 34 OK 14 76 - 19 - 3.0/2609=4, 3.0/2609=3...(8) HB2 GLU 38 - HG12 ILE 34 OK 12 87 - 14 - ~6636=3, ~6644=2...(6) HB3 GLU 69 - HG12 ILE 34 lone 9 90 - 10 - ~6647=2, ~8489=2...(4) HB ILE 124 - HG12 ILE 34 lone 7 76 - 9 - ~8121=1, ~8251=1 HB3 LYS 119 - HG12 ILE 34 lone 6 90 - 7 - 6604/2.1=2 HB2 LYS 109 - HG12 ILE 34 lone 6 78 - 8 - HB3 GLN 103 - HG12 ILE 34 lone 4 76 - 5 - 4.0/7768=2 HB2 GLU 64 - HG12 ILE 34 lone 3 78 - 4 - HB3 GLU 64 - HG12 ILE 34 lone 3 73 - 4 - HG LEU 114 - HG12 ILE 34 lone 3 83 - 4 - HB3 GLU 94 - HG12 ILE 34 lone 3 99 - 3 - HB2 MET 11 - HG12 ILE 34 lone 2 68 - 3 - Peak 8488 from cnoeabs.peaks (1.94, 1.06, 26.43 ppm; 4.97 A): 3 out of 16 assignments used, quality = 0.98: HB3 PRO 30 + HG13 ILE 34 OK 94 100 - 94 - 1.8/8489=29, ~6647=21...(20) HB3 ARG 85 + HG13 ILE 34 OK 46 100 - 46 - 6648/2.1=5, 3.0/2617=4...(22) HB2 ARG 85 + HG13 ILE 34 OK 46 100 - 46 - 6648/2.1=5, 3.0/2617=4...(22) HG LEU 45 - HG13 ILE 34 OK 42 65 - 64 - 2.1/2619=10, ~6842=10...(14) HB2 LEU 21 - HG13 ILE 34 OK 38 87 - 43 - ~2627=5, ~2613=5...(14) HG LEU 58 - HG13 ILE 34 OK 26 96 - 27 - ~6364=6, ~7065=6...(6) HB2 GLU 38 - HG13 ILE 34 OK 14 100 - 14 - ~6636=3, 6648/2.1=2...(5) HB3 GLU 69 - HG13 ILE 34 OK 11 100 - 11 - 3.0/8489=2, ~6647=2...(4) HB ILE 80 - HG13 ILE 34 poor 10 78 - 13 - ~7419=2, 3.0/8489=2...(5) HB2 ARG 71 - HG13 ILE 34 poor 9 60 - 15 - ~6601=2, 3.0/6654=2...(9) HB3 LYS 119 - HG13 ILE 34 lone 7 100 - 7 - 6604/2.1=2, 2369/8489=1 HB2 LYS 109 - HG13 ILE 34 lone 7 99 - 7 - 6648/2.1=1 HB2 GLU 64 - HG13 ILE 34 lone 4 99 - 4 - HB3 GLU 64 - HG13 ILE 34 lone 4 98 - 4 - HB3 GLU 94 - HG13 ILE 34 lone 2 98 - 2 - HB3 MET 11 - HG13 ILE 34 lone 1 63 - 2 - Peak 8489 from cnoeabs.peaks (2.14, 1.06, 26.43 ppm; 5.11 A): 1 out of 5 assignments used, quality = 0.92: HB2 PRO 30 + HG13 ILE 34 OK 92 100 - 92 - 6647/2.1=29, ~6645=21...(19) HG2 GLU 69 - HG13 ILE 34 lone 9 97 - 9 - 6647/2.1=3, 3.0/8488=1 HB VAL 115 - HG13 ILE 34 lone 8 100 - 8 - 6647/2.1=4, 2382/8249=1 HG12 ILE 80 - HG13 ILE 34 poor 8 71 - 11 - ~7419=3, 6647/2.1=3, ~7424=2 HB3 GLU 15 - HG13 ILE 34 lone 5 100 - 5 - 6647/2.1=2 Peak 8490 from cnoeabs.peaks (8.09, 2.55, 40.61 ppm; 5.36 A): 0 out of 7 assignments used, low quality = 0.18: H GLY 39 - HB3 ASP 36 OK 18 100 - 18 - 4.6/8491=11, 6729/1.8=3 HD22 ASN 79 - HB3 ASP 36 poor 10 95 - 10 - 3.5/2648=2, ~2640=2...(4) H SER 78 - HB3 ASP 36 lone 6 81 - 7 - 4.5/8491=4 H LEU 55 - HB3 ASP 36 lone 6 65 - 9 - 3.0/6670=2, ~6668=2...(4) H GLN 105 - HB3 ASP 36 lone 3 99 - 3 - 7765/2646=1 H LEU 24 - HB3 ASP 36 lone 3 99 - 3 - H THR 33 - HB3 ASP 36 lone 3 99 - 3 - Peak 8491 from cnoeabs.peaks (8.51, 2.55, 40.61 ppm; 5.23 A): 5 out of 9 assignments used, quality = 0.86: H GLU 38 + HB3 ASP 36 OK 65 96 - 69 - 6705/3.0=38, 150/4.8=22...(5) H LEU 77 + HB3 ASP 36 OK 24 100 - 24 - 6660/1.8=6, 5542/4.8=5...(6) H TYR 102 + HB3 ASP 36 OK 24 57 - 42 - 2.9/6670=9, 6659/3.0=7...(10) H PHE 40 + HB3 ASP 36 OK 17 83 - 21 - 4.6/8490=10, 6659/3.0=5 H GLU 28 + HB3 ASP 36 OK 15 97 - 15 - 5541/4.8=4, 6660/1.8=4...(4) H LEU 84 - HB3 ASP 36 lone 8 95 - 8 - 6660/1.8=3, 6659/3.0=2...(4) H SER 13 - HB3 ASP 36 lone 8 99 - 8 - 6660/1.8=2, 5542/4.8=2...(4) H LYS 31 - HB3 ASP 36 lone 7 96 - 8 - 6660/1.8=2, 6659/3.0=1 H GLY 2 - HB3 ASP 36 lone 2 81 - 2 - Peak 8492 from cnoeabs.peaks (2.01, 0.88, 21.00 ppm; 4.18 A): 5 out of 10 assignments used, quality = 0.85: HB3 ARG 53 + QG1 VAL 49 OK 52 95 - 56 - 4.0/8407=11, 3.6/6902=10...(12) HB3 PRO 68 + QG1 VAL 49 OK 32 65 - 50 - 1.8/7226=11, 2.3/6905=9...(13) HB2 LEU 55 + QG1 VAL 49 OK 28 98 - 28 - 4.0/8406=3, 3.1/3041=3...(13) HB2 LEU 41 + QG1 VAL 49 OK 26 65 - 39 - 3.0/6903=7, 4.1/8407=6...(17) HG2 PRO 60 + QG1 VAL 49 OK 12 89 - 14 - 2.3/7091=3, 2.3/7089=3 HB ILE 124 - QG1 VAL 49 poor 7 65 - 11 - 2.1/5354=1, 4.0/1415=1...(5) HB2 GLU 94 - QG1 VAL 49 lone 6 96 - 6 - 4.0/8407=2 HB2 LYS 46 - QG1 VAL 49 lone 6 96 - 6 - HB2 MET 11 - QG1 VAL 49 lone 2 73 - 3 - HB3 GLN 103 - QG1 VAL 49 lone 1 65 - 2 - Peak 8493 from cnoeabs.peaks (1.13, 0.88, 21.00 ppm; 3.47 A): 3 out of 5 assignments used, quality = 0.80: QG2 VAL 50 + QG1 VAL 49 OK 61 100 - 61 - 3062/4.3=14, 3.2/8279=14...(14) QD2 LEU 117 + QG1 VAL 49 OK 39 100 - 39 - 2.1/3041=4, 5170/2.1=4...(17) HB3 LEU 54 + QG1 VAL 49 OK 17 81 - 21 - 3.1/8494=4, 3.1/6985=3...(10) QG2 THR 62 - QG1 VAL 49 lone 6 68 - 8 - QG2 VAL 120 - QG1 VAL 49 lone 5 96 - 5 - Peak 8494 from cnoeabs.peaks (0.69, 0.88, 21.00 ppm; 3.77 A): 3 out of 5 assignments used, quality = 0.78: QG1 VAL 66 + QG1 VAL 49 OK 71 99 - 71 - 7185/3.2=24, ~7188=12...(20) QD2 LEU 54 + QG1 VAL 49 OK 18 89 - 20 - 2.1/6985=5, 3.1/8493=4...(5) HG3 GLU 75 + QG1 VAL 49 OK 11 95 - 12 - 3.6/8495=2, 1.8/6903=2 QD1 LEU 77 - QG1 VAL 49 lone 7 100 - 7 - 6901/3.2=1 QD2 LEU 24 - QG1 VAL 49 lone 3 65 - 4 - 4.8/8406=1 Peak 8495 from cnoeabs.peaks (3.58, 0.88, 21.00 ppm; 4.78 A): 5 out of 6 assignments used, quality = 0.84: HA2 GLY 48 + QG1 VAL 49 OK 57 100 - 57 - 3.6/3037=24, 6885=13...(10) HD2 PRO 70 + QG1 VAL 49 OK 37 63 - 60 - 2.3/7264=16, 3.0/7254=10...(15) HA GLU 75 + QG1 VAL 49 OK 19 100 - 19 - 3.6/8494=4, 212/4.0=3...(6) HA2 GLY 39 + QG1 VAL 49 OK 17 81 - 21 - 2.9/8406=6, ~6911=3...(7) HA LEU 51 + QG1 VAL 49 OK 10 76 - 14 - 212/4.0=4, 6050/8407=2...(4) HA LEU 111 - QG1 VAL 49 lone 5 73 - 7 - Peak 8496 from cnoeabs.peaks (3.91, 0.88, 21.00 ppm; 4.65 A): 5 out of 15 assignments used, quality = 0.90: HA ARG 53 + QG1 VAL 49 OK 54 78 - 68 - 3.0/8407=16, ~1621=15...(15) HD2 PRO 68 + QG1 VAL 49 OK 41 100 - 41 - 3.0/7226=10, 3.6/6905=8...(12) HD3 PRO 68 + QG1 VAL 49 OK 41 100 - 41 - 3.0/7226=10, 3.6/6905=8...(12) HB3 ASN 79 + QG1 VAL 49 OK 32 68 - 47 - 3.5/8406=11, ~6912=7...(14) HB THR 62 + QG1 VAL 49 OK 10 100 - 10 - 2.1/8493=2, 7103/2.1=1 HA ILE 34 - QG1 VAL 49 lone 7 99 - 7 - 6627/4.0=2 HA ALA 43 - QG1 VAL 49 lone 6 97 - 6 - ~6806=1 HA ARG 85 - QG1 VAL 49 lone 5 78 - 6 - 3.6/8407=3 HB2 SER 112 - QG1 VAL 49 lone 4 89 - 5 - HB3 SER 112 - QG1 VAL 49 lone 4 85 - 5 - HA THR 23 - QG1 VAL 49 lone 4 71 - 6 - 3.6/8406=2 HB THR 95 - QG1 VAL 49 lone 3 83 - 4 - HA3 GLY 2 - QG1 VAL 49 lone 2 99 - 2 - HA2 GLY 2 - QG1 VAL 49 lone 2 99 - 2 - HA2 GLY 25 - QG1 VAL 49 lone 2 71 - 2 - Peak 8497 from cnoeabs.peaks (7.22, 0.21, 22.86 ppm; 5.23 A): 6 out of 6 assignments used, quality = 0.88: QD TYR 102 + QD1 LEU 54 OK 46 100 - 46 - 2.2/6979=10, 4747/2.1=6...(14) H VAL 26 + QD1 LEU 54 OK 45 63 - 72 - 4.0/8213=26, 4.0/8223=24...(12) QD TYR 67 + QD1 LEU 54 OK 25 81 - 31 - 2.2/6978=8, ~4701=5...(6) QE PHE 96 + QD1 LEU 54 OK 23 73 - 32 - ~6981=5, ~4731=4...(11) H LYS 65 + QD1 LEU 54 OK 18 99 - 18 - ~7167=2, 7164/3.1=2, 8433/2.1=1 QE PHE 40 + QD1 LEU 54 OK 15 100 - 15 - 6534/6529=3, ~6981=1 Peak 8498 from cnoeabs.peaks (8.56, 0.85, 26.09 ppm; 4.55 A): 5 out of 12 assignments used, quality = 0.84: H GLY 86 + QD2 LEU 55 OK 55 100 - 56 - 7508=14, 3.0/7015=11...(13) H ARG 53 + QD2 LEU 55 OK 32 90 - 36 - 1622/4.6=9, 1012/3.1=4...(11) H LEU 41 + QD2 LEU 55 OK 25 87 - 28 - 4.5/7004=7, 1629/4.6=4...(10) H GLU 94 + QD2 LEU 55 OK 19 83 - 23 - 464=3, 4.6/1236=3...(8) H GLY 86 + QD1 LEU 59 OK 13 59 - 22 - 7508=5, 3.0/7511=3...(6) H GLU 94 - QD1 LEU 59 poor 6 42 - 13 - 4.4/4490=2, 464=2...(6) H VAL 18 - QD2 LEU 55 lone 4 65 - 7 - H ARG 53 - QD1 LEU 59 lone 4 48 - 9 - H LEU 41 - QD1 LEU 59 lone 4 45 - 9 - 947/2.1=2 H ILE 34 - QD2 LEU 55 lone 3 63 - 5 - 4.6/3254=2 H VAL 18 - QD1 LEU 59 lone 1 32 - 3 - H ILE 34 - QD1 LEU 59 lone 1 30 - 2 - Peak 8499 from cnoeabs.peaks (8.66, 0.94, 23.76 ppm; 3.93 A): 7 out of 15 assignments used, quality = 0.91: H LEU 117 + QD1 LEU 117 OK 52 61 - 86 - 4.6=62, 1371/3.1=14...(11) H LEU 59 + QD1 LEU 55 OK 35 100 - 35 - 6999/4.0=8, 7081/4.8=7...(8) H VAL 120 + QD1 LEU 55 OK 26 96 - 27 - 6999/4.0=6, 611/2.1=4...(8) H VAL 120 + QD1 LEU 117 OK 25 54 - 46 - 1395/2.1=11, 1795/3.8=11...(9) H LEU 117 + QD1 LEU 55 OK 24 100 - 24 - 6999/4.0=5, 3417/2.1=3...(9) H LEU 59 + QD1 LEU 117 OK 20 60 - 33 - 5165/2.1=7, 5137/3.1=6...(6) H LEU 117 + QG2 VAL 49 OK 14 90 - 16 - 1373=2, 4.6/5170=2...(7) H LEU 59 - QG2 VAL 49 lone 7 89 - 8 - 1058/2.1=2 H ASN 12 - QD1 LEU 55 lone 5 99 - 5 - 6999/4.0=1 H ASN 12 - QD1 LEU 117 lone 5 59 - 8 - 5165/2.1=1, 5144/3.1=1...(4) H VAL 120 - QG2 VAL 49 lone 4 82 - 5 - H ASN 12 - QG2 VAL 49 lone 2 87 - 2 - H ASN 106 - QD1 LEU 117 lone 1 30 - 4 - H ASN 106 - QD1 LEU 55 lone 1 60 - 1 - H ASN 106 - QG2 VAL 49 lone 0 48 - 1 - Peak 8500 from cnoeabs.peaks (0.95, 2.31, 35.00 ppm; 5.30 A): 3 out of 11 assignments used, quality = 0.90: QD1 ILE 63 + HG3 GLU 56 OK 81 100 - 81 - 3.2/7026=20, ~7025=14...(33) QD1 LEU 55 + HG3 GLU 56 OK 41 97 - 42 - 4.8/3285=19, 8501/1.8=7...(9) QG2 VAL 115 + HG3 GLU 56 OK 10 78 - 13 - 255/4.9=3, 8501/1.8=2 QD1 LEU 27 - HG3 GLU 56 poor 10 83 - 12 - 8501/1.8=2, ~8501=2...(4) QD2 LEU 27 - HG3 GLU 56 poor 10 76 - 13 - 8501/1.8=2, ~8501=2...(4) QG2 ILE 124 - HG3 GLU 56 lone 10 96 - 10 - 8501/1.8=1 QD1 LEU 41 - HG3 GLU 56 lone 9 93 - 9 - 8501/1.8=2, 255/4.9=1 QG2 ILE 22 - HG3 GLU 56 poor 8 78 - 11 - 255/4.9=2, 8501/1.8=2 QG2 VAL 49 - HG3 GLU 56 lone 7 68 - 10 - 7018/4.9=2, 8501/1.8=2 QG2 THR 95 - HG3 GLU 56 lone 4 60 - 7 - 2.1/8732=1 HB2 GLN 42 - HG3 GLU 56 lone 3 60 - 4 - Peak 8501 from cnoeabs.peaks (0.94, 2.25, 35.00 ppm; 5.42 A): 3 out of 12 assignments used, quality = 0.91: QD1 ILE 63 + HG2 GLU 56 OK 79 99 - 80 - 3.2/7025=19, 8500/1.8=16...(30) QD1 LEU 55 + HG2 GLU 56 OK 44 100 - 44 - 4.8/3279=19, 8500/1.8=8...(8) QD1 LEU 117 + HG2 GLU 56 OK 25 68 - 37 - 3.1/5140=4, 3.8/5133=4...(14) QG2 VAL 115 - HG2 GLU 56 OK 14 97 - 15 - 7980/4.9=4, 7029/4.0=3 QD2 LEU 27 - HG2 GLU 56 OK 14 96 - 14 - 8500/1.8=2, 7029/4.0=2...(4) QD1 LEU 27 - HG2 GLU 56 OK 13 98 - 13 - 8500/1.8=2, 7029/4.0=2...(4) QG2 ILE 22 - HG2 GLU 56 OK 12 97 - 12 - 255/4.9=3, 7029/4.0=2 QG2 VAL 49 - HG2 GLU 56 OK 11 92 - 12 - 7018/4.9=2, 7029/4.0=2 QD1 LEU 41 - HG2 GLU 56 OK 10 100 - 10 - 8500/1.8=2, 255/4.9=2 QG2 ILE 124 - HG2 GLU 56 poor 8 76 - 10 - 8500/1.8=2, 7029/4.0=1 HB2 GLN 42 - HG2 GLU 56 lone 5 87 - 5 - QD1 LEU 126 - HG2 GLU 56 lone 3 65 - 4 - Peak 8502 from cnoeabs.peaks (0.21, 1.58, 27.21 ppm; 4.84 A): 2 out of 6 assignments used, quality = 0.71: QD1 LEU 54 + HG2 ARG 57 OK 52 100 - 52 - 6993/7041=15...(10) QD2 LEU 21 + HG2 ARG 57 OK 41 78 - 52 - 6415/7041=11, 7033/5.1=8...(19) QD1 LEU 54 - HG LEU 126 lone 8 77 - 10 - 6985/2.1=2, 6975/4.9=1 QD2 LEU 21 - HG LEU 126 lone 5 54 - 10 - 6411/2.1=1 QD1 LEU 54 - HG12 ILE 124 lone 3 55 - 6 - 6993/7041=1, 6985/2.1=1 QD2 LEU 21 - HG12 ILE 124 lone 3 37 - 7 - ~8121=3, 6415/7041=1 Peak 8503 from cnoeabs.peaks (0.21, 2.07, 29.15 ppm; 5.32 A): 4 out of 6 assignments used, quality = 0.90: QD1 LEU 54 + HB2 ARG 57 OK 67 99 - 68 - 7033/3.7=20, 7054/4.2=18...(14) QD2 LEU 21 + HB2 ARG 57 OK 44 68 - 65 - 8502/3.0=14, 7054/4.2=13...(24) QD1 LEU 54 + HB3 GLU 38 OK 37 93 - 40 - 3206/3.0=7, 6990=5...(11) QD2 LEU 21 + HB3 GLU 38 OK 15 61 - 24 - 6420/3.0=3, 2.1/7034=2...(10) QD1 ILE 34 - HB3 GLU 38 poor 8 53 - 15 - 3.0/6636=4, 6644/3.0=2...(5) QD1 ILE 34 - HB2 ARG 57 lone 4 60 - 6 - 3.0/6636=1 Peak 8504 from cnoeabs.peaks (10.20, 0.99, 21.76 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.79: HE1 TRP 20 + QD2 LEU 58 OK 71 99 - 72 - ~7049=21, 2.8/6353=18...(11) HE1 TRP 20 + QG1 VAL 18 OK 26 90 - 29 - 2.8/6353=6, 6385=6...(7) Peak 8505 from cnoeabs.peaks (10.23, 1.00, 25.81 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.77: HE1 TRP 20 + QD1 LEU 58 OK 77 92 - 84 - 2.8/7049=40, 8504/2.1=20...(10) Peak 8506 from cnoeabs.peaks (0.64, 1.93, 26.17 ppm; 3.79 A): 5 out of 6 assignments used, quality = 0.85: QD2 LEU 24 + HG LEU 58 OK 51 65 - 77 - 2.1/8507=21, ~7066=17...(26) QD1 LEU 21 + HG LEU 58 OK 38 87 - 43 - 2.1/7068=11, 2128=5...(17) QG2 VAL 26 + HG LEU 58 OK 32 97 - 33 - 8214/8507=8, 8212/2.1=5...(11) QG1 VAL 26 + HG LEU 58 OK 19 73 - 26 - 8224/8507=5, 2.1/8211=3...(10) QD1 LEU 45 + HG LEU 58 OK 11 98 - 11 - ~6840=1, ~6839=1...(6) QD1 LEU 51 - HG LEU 58 lone 8 93 - 8 - ~6930=1, 6984/7068=1, 7053/5.0=1 Peak 8507 from cnoeabs.peaks (0.06, 1.93, 26.17 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 24 + HG LEU 58 OK 94 100 - 94 - 7066/2.1=37, 7067/2.1=32...(29) Peak 8508 from cnoeabs.peaks (4.12, 1.94, 30.87 ppm; 4.74 A): 5 out of 22 assignments used, quality = 0.94: HA ILE 63 + HB2 GLU 64 OK 70 85 - 82 - 5663/4.0=32, ~7145=11...(29) HA ILE 63 + HB3 GLU 64 OK 70 85 - 82 - 5663/4.0=32, ~7145=11...(29) HA ARG 57 + HB3 GLU 64 OK 14 100 - 14 - 3.6/1049=3, 293/4.0=1 HA ARG 57 + HB2 GLU 64 OK 14 100 - 14 - 3.6/1049=3, 293/4.0=1 HB3 SER 78 + HB2 GLU 64 OK 10 99 - 10 - 7361/4.6=5, 293/4.0=1 HB3 SER 78 - HB3 GLU 64 poor 10 99 - 10 - 7361/4.6=5, 293/4.0=1 HA PRO 37 - HB2 GLU 64 poor 8 73 - 11 - 3.6/928=2, 293/4.0=2, 7172/4.6=1 HA PRO 37 - HB3 GLU 64 poor 8 73 - 11 - 3.6/928=2, 293/4.0=2, 7172/4.6=1 HA ILE 124 - HB2 GLU 64 lone 8 78 - 10 - 7172/4.6=3, 293/4.0=2 HA ILE 124 - HB3 GLU 64 lone 8 78 - 10 - 7172/4.6=3, 293/4.0=2 HA ALA 98 - HB3 GLU 64 lone 5 87 - 6 - HA ALA 98 - HB2 GLU 64 lone 5 87 - 6 - HA PHE 83 - HB3 GLU 64 lone 4 60 - 7 - 293/4.0=2 HA PHE 83 - HB2 GLU 64 lone 4 60 - 7 - 293/4.0=2 HA ASN 108 - HB2 GLU 64 lone 3 73 - 5 - HA ASN 108 - HB3 GLU 64 lone 3 73 - 5 - HA LEU 24 - HB3 GLU 64 lone 3 80 - 3 - HA LEU 24 - HB2 GLU 64 lone 2 81 - 3 - HA3 GLY 25 - HB3 GLU 64 lone 2 100 - 2 - HA3 GLY 25 - HB2 GLU 64 lone 2 100 - 2 - HB3 SER 72 - HB3 GLU 64 lone 2 83 - 2 - HB3 SER 72 - HB2 GLU 64 lone 2 83 - 2 - Peak 8509 from cnoeabs.peaks (2.23, 0.77, 21.33 ppm; 5.04 A): 2 out of 13 assignments used, quality = 0.93: HB2 PRO 68 + QG2 VAL 66 OK 85 100 - 85 - 7227/2.1=19, ~7229=17...(22) HB3 LEU 117 + QG2 VAL 66 OK 51 100 - 52 - 7181/2.1=8, 3.1/7192=7...(20) HG2 GLU 38 - QG2 VAL 66 OK 20 99 - 20 - 4.9/7196=4, 1.8/6713=2...(7) HG3 GLU 38 - QG2 VAL 66 OK 20 98 - 20 - 4.9/7196=4, 1.8/6713=2...(7) HG2 GLU 56 - QG2 VAL 66 OK 20 93 - 21 - 1.8/7026=6, 7025=6...(4) HB2 PRO 70 - QG2 VAL 66 OK 17 96 - 18 - 2.3/8436=3, 7181/2.1=2 HG3 GLU 64 - QG2 VAL 66 OK 16 100 - 16 - 5.0/295=3, 6568=2...(7) HG2 GLU 94 - QG2 VAL 66 OK 12 99 - 12 - 4.2/7194=2, 7181/2.1=2...(5) HG3 GLU 28 - QG2 VAL 66 OK 10 100 - 10 - 7181/2.1=2, 6568=1...(5) HG2 GLU 28 - QG2 VAL 66 OK 10 100 - 10 - 7181/2.1=2, 6568=1...(5) HB3 PRO 37 - QG2 VAL 66 lone 5 89 - 6 - 7181/2.1=1 HG3 GLU 15 - QG2 VAL 66 lone 4 85 - 4 - HG2 PRO 37 - QG2 VAL 66 lone 2 57 - 4 - ~7181=1 Peak 8510 from cnoeabs.peaks (1.24, 3.95, 61.57 ppm; 4.59 A): 5 out of 7 assignments used, quality = 0.90: HG LEU 77 + HA SER 74 OK 75 100 - 76 - 3.0/6089=24, 2.1/7298=23...(10) HG13 ILE 124 + HA SER 74 OK 32 100 - 32 - 5939/2.9=5, 3.2/8124=4...(11) HG3 LYS 32 + HA SER 74 OK 17 73 - 23 - 1.8/6087=5, 3.0/7302=5...(5) HG2 LYS 32 + HA SER 74 OK 16 81 - 20 - 3.0/7302=5, 5.0/5716=3...(5) HB3 LEU 24 + HA SER 74 OK 12 87 - 14 - 3.9/6091=3, 3.1/7298=2...(6) HB3 LEU 111 - HA SER 74 lone 6 76 - 8 - ~6224=1 QG2 THR 19 - HA SER 74 lone 3 81 - 3 - Peak 8511 from cnoeabs.peaks (3.95, 1.23, 26.67 ppm; 5.30 A): 4 out of 7 assignments used, quality = 0.95: HA SER 74 + HG LEU 77 OK 85 100 - 85 - 6089/3.0=29, 6087/3.0=28...(11) HA2 GLY 125 + HG LEU 77 OK 32 99 - 32 - 7353/2.1=6, 6088/3.0=5...(9) HA3 GLY 125 + HG LEU 77 OK 32 99 - 32 - 7353/2.1=6, 6088/3.0=5...(9) HA2 GLY 25 + HG LEU 77 OK 28 96 - 29 - 3.0/86=6, 7353/2.1=4...(8) HA THR 23 - HG LEU 77 OK 26 96 - 27 - 3.6/5730=8, 6088/3.0=4...(9) HA ARG 85 - HG LEU 77 lone 8 92 - 9 - 1652/5.0=2, 6088/3.0=1...(4) HA ALA 43 - HG LEU 77 lone 5 68 - 8 - ~180=2, 1652/5.0=1 Peak 8512 from cnoeabs.peaks (4.24, 3.64, 66.48 ppm; 5.07 A): 4 out of 13 assignments used, quality = 0.93: HA3 GLY 48 + HA ILE 80 OK 75 100 - 75 - 8423=29, 6895/3.0=18...(13) HB THR 19 + HA ILE 80 OK 48 100 - 49 - 8351/3.2=7, 7407/3.0=6...(18) HA VAL 26 + HA ILE 80 OK 34 76 - 45 - 3.2/7423=12, 3.2/7423=11...(10) HA LEU 58 + HA ILE 80 OK 25 97 - 25 - 4.0/7422=4, 8351/3.2=4...(12) HA ALA 89 - HA ILE 80 OK 25 100 - 24 - 2.1/7421=4, 7407/3.0=3...(11) HA THR 17 - HA ILE 80 OK 15 98 - 15 - 7407/3.0=3, 3.2/8460=2...(4) HA ILE 22 - HA ILE 80 OK 14 63 - 22 - ~6432=4, ~6430=3...(10) HA GLU 94 - HA ILE 80 OK 10 63 - 16 - ~7615=4, 3.6/4062=3...(7) HA GLU 64 - HA ILE 80 lone 7 90 - 8 - 8351/3.2=1, 7407/3.0=1 HA ALA 122 - HA ILE 80 lone 6 63 - 10 - 2.1/7421=1, 8351/3.2=1...(5) HA CYS 52 - HA ILE 80 lone 6 78 - 8 - 7407/3.0=1 HA VAL 66 - HA ILE 80 lone 5 60 - 8 - 7176/4.9=3, 7407/3.0=1 HA SER 13 - HA ILE 80 lone 4 63 - 7 - Peak 8513 from cnoeabs.peaks (4.14, 1.92, 39.17 ppm; 5.12 A): 3 out of 13 assignments used, quality = 0.95: HA PHE 83 + HB ILE 80 OK 73 98 - 74 - 7410/2.1=12, ~1682=12...(15) HA ALA 98 + HB ILE 80 OK 71 100 - 71 - ~7429=15, 7671/2.1=15...(12) HA ILE 124 + HB ILE 80 OK 40 100 - 40 - 7410/2.1=6, 7413/3.2=5...(15) HA SER 78 - HB ILE 80 OK 21 60 - 35 - 8658/4.4=14, 3.6/7370=8...(7) HA ILE 63 - HB ILE 80 OK 21 100 - 21 - ~6125=3, ~7402=3...(6) HB3 SER 78 - HB ILE 80 OK 20 96 - 20 - 4.5/7370=6, 3.0/7450=6...(5) HA GLU 28 - HB ILE 80 OK 18 85 - 21 - ~6131=2, ~7394=2...(9) HB3 SER 72 - HB ILE 80 OK 14 100 - 14 - 7281/3.9=5, 4.5/1121=4...(4) HA ASN 108 - HB ILE 80 OK 12 100 - 12 - 7671/2.1=3, 7671/3.2=2, 8439=1 HA PRO 37 - HB ILE 80 OK 11 100 - 11 - 7413/3.2=2, 7410/2.1=2 HB2 SER 113 - HB ILE 80 OK 11 93 - 12 - 7410/2.1=2, 7413/3.2=2 HA ARG 57 - HB ILE 80 poor 8 71 - 11 - 3.6/1049=2, 7410/2.1=1 HA3 GLY 25 - HB ILE 80 lone 3 71 - 5 - 7410/2.1=1 Peak 8514 from cnoeabs.peaks (2.10, 1.27, 19.03 ppm; 4.22 A): 5 out of 9 assignments used, quality = 0.96: HB2 LEU 101 + QG2 ILE 80 OK 80 100 - 80 - 3.1/7401=14, 3.1/7706=12...(26) HB2 LEU 114 + QG2 ILE 80 OK 33 78 - 43 - 4.6/4076=7, 5893/4.0=6...(18) HG3 GLU 69 + QG2 ILE 80 OK 31 95 - 33 - 1.8/4080=5, ~4073=3...(13) HB2 GLU 15 + QG2 ILE 80 OK 31 89 - 35 - 3.0/7408=4, 1.8/4080=4...(19) HG LEU 21 + QG2 ILE 80 OK 29 81 - 37 - ~8344=8, 3.0/7401=4...(13) HB3 PRO 70 - QG2 ILE 80 OK 24 100 - 24 - 3.0/4077=2, ~7264=2...(9) HB3 GLN 16 - QG2 ILE 80 OK 10 73 - 14 - 3.0/6323=4, 4.0/7390=3...(4) HB2 GLN 16 - QG2 ILE 80 OK 10 71 - 14 - 3.0/6323=4, 4.0/7390=3...(4) HB2 GLN 105 - QG2 ILE 80 lone 2 65 - 3 - Peak 8515 from cnoeabs.peaks (1.93, 2.52, 35.00 ppm; 5.38 A): 6 out of 18 assignments used, quality = 0.92: HB3 GLU 64 + HG2 GLU 82 OK 57 100 - 57 - 4.0/8438=30, 4.6/7444=16...(9) HB2 GLU 64 + HG2 GLU 82 OK 57 100 - 57 - 4.0/8438=30, 4.6/7444=16...(9) HB2 ARG 81 + HG2 GLU 82 OK 24 71 - 34 - 4.3/1174=25, 8516/1.8=5...(4) HB ILE 80 + HG2 GLU 82 OK 20 97 - 21 - 6141/4.1=5, ~7415=4...(5) HB2 ARG 85 + HG2 GLU 82 OK 13 93 - 14 - 6143/4.1=8, 8516/1.8=2, ~8516=1 HB3 ARG 85 + HG2 GLU 82 OK 13 93 - 14 - 6143/4.1=8, 8516/1.8=2, ~8516=1 HB2 GLU 38 - HG2 GLU 82 lone 10 99 - 10 - 6715/8648=2, 7139/8649=1...(4) HB ILE 22 - HG2 GLU 82 lone 7 73 - 10 - 2.1/7452=2, ~7454=2, 8516/1.8=1 HB2 LEU 21 - HG2 GLU 82 lone 7 99 - 7 - 8516/1.8=1 HG LEU 58 - HG2 GLU 82 lone 6 100 - 6 - 6141/4.1=1 HB2 LYS 109 - HG2 GLU 82 lone 6 100 - 6 - HB3 PRO 30 - HG2 GLU 82 lone 5 93 - 6 - HB3 GLU 94 - HG2 GLU 82 lone 5 83 - 5 - 6141/4.1=1 HB3 LYS 119 - HG2 GLU 82 lone 4 97 - 4 - HB3 GLU 73 - HG2 GLU 82 lone 4 78 - 6 - 5746/5.2=2 HB2 GLU 28 - HG2 GLU 82 lone 4 60 - 7 - 3.0/7458=1, ~7459=1 HB3 GLU 69 - HG2 GLU 82 lone 4 97 - 4 - HB3 MET 11 - HG2 GLU 82 lone 3 89 - 4 - Peak 8516 from cnoeabs.peaks (1.93, 2.95, 35.00 ppm; 5.41 A): 7 out of 19 assignments used, quality = 0.95: HB3 GLU 64 + HG3 GLU 82 OK 63 98 - 64 - 4.0/8437=31, 4.6/7162=30...(8) HB2 GLU 64 + HG3 GLU 82 OK 62 97 - 64 - 4.0/8437=31, 4.6/7162=30...(8) HB2 ARG 81 + HG3 GLU 82 OK 33 87 - 38 - 4.3/1175=29, 8515/1.8=4 HB ILE 80 + HG3 GLU 82 OK 20 100 - 21 - 3.2/7415=5, 392/5.2=5...(4) HB2 LEU 84 + HG3 GLU 82 OK 11 76 - 15 - 3.1/7455=4, 392/5.2=3...(4) HB3 ARG 85 + HG3 GLU 82 OK 10 81 - 13 - 6141/4.1=6, 8515/1.8=2, ~8515=2 HB2 ARG 85 + HG3 GLU 82 OK 10 81 - 13 - 6141/4.1=6, 8515/1.8=2, ~8515=2 HB ILE 22 - HG3 GLU 82 lone 9 89 - 10 - 2.1/7454=2, ~7452=2, 8515/1.8=1 HB2 GLU 38 - HG3 GLU 82 lone 9 92 - 10 - 8515/1.8=2, 6715/7150=1 HB2 LEU 21 - HG3 GLU 82 lone 7 100 - 7 - 8515/1.8=1 HG LEU 58 - HG3 GLU 82 lone 7 99 - 7 - 8515/1.8=1 HB2 LYS 109 - HG3 GLU 82 lone 6 97 - 6 - HB2 GLU 28 - HG3 GLU 82 lone 5 78 - 7 - 3.0/7459=2, ~7458=1 HB3 GLU 73 - HG3 GLU 82 lone 5 92 - 6 - 5746/5.2=2 HB3 PRO 30 - HG3 GLU 82 lone 5 81 - 6 - HB3 LYS 119 - HG3 GLU 82 lone 4 89 - 4 - HB3 GLU 69 - HG3 GLU 82 lone 4 89 - 4 - HB3 GLU 94 - HG3 GLU 82 lone 3 65 - 5 - HB3 MET 11 - HG3 GLU 82 lone 3 97 - 3 - Peak 8517 from cnoeabs.peaks (1.60, 0.75, 25.87 ppm; 4.20 A): 6 out of 34 assignments used, quality = 0.86: HG2 ARG 81 + QD1 LEU 84 OK 40 89 - 45 - 4.0/7433=10, 4.9/7431=5...(17) HG3 ARG 81 + QD1 LEU 84 OK 40 89 - 45 - 4.0/7433=10, 4.9/7431=5...(17) HG12 ILE 63 + QD1 LEU 84 OK 24 100 - 24 - 3522=4, 2.1/3536=3...(10) HD2 LYS 119 + QD1 LEU 84 OK 22 100 - 22 - 3.0/4270=3, ~4256=2...(7) HD3 LYS 119 + QD1 LEU 84 OK 22 100 - 22 - 3.0/4270=3, ~4256=2...(7) HG LEU 101 + QD1 LEU 84 OK 16 78 - 21 - ~7708=7, ~7486=6...(4) HD2 LYS 31 - QD1 LEU 84 lone 7 73 - 10 - 6.0/4267=1 HD3 LYS 31 - QD1 LEU 84 lone 7 73 - 10 - 6.0/4267=1 HB2 LEU 59 - QD1 LEU 114 poor 7 36 - 19 - ~7959=4, ~3408=3...(10) HG LEU 101 - QD1 LEU 114 poor 6 44 - 15 - ~7713=4, ~7704=2...(5) HD3 LYS 32 - QD1 LEU 84 lone 6 95 - 6 - 2.9/8357=1 HD2 LYS 32 - QD1 LEU 84 lone 6 95 - 6 - 2.9/8357=1 HG2 ARG 57 - QD1 LEU 84 lone 4 89 - 5 - HG2 ARG 53 - QD1 LEU 84 lone 4 95 - 5 - 5.0/6962=1 HG2 PRO 30 - QD1 LEU 84 lone 4 90 - 4 - HG2 ARG 57 - QD1 LEU 114 lone 4 52 - 7 - ~5086=1 HD3 LYS 119 - QD1 LEU 114 lone 3 66 - 5 - HD2 LYS 119 - QD1 LEU 114 lone 3 66 - 5 - HG2 ARG 81 - QD1 LEU 114 lone 3 52 - 6 - HG3 ARG 81 - QD1 LEU 114 lone 3 52 - 6 - HG12 ILE 63 - QD1 LEU 114 lone 3 64 - 4 - HB2 LEU 126 - QD1 LEU 114 lone 2 64 - 4 - HB3 LEU 126 - QD1 LEU 114 lone 2 64 - 4 - HG LEU 126 - QD1 LEU 114 lone 2 65 - 3 - HB2 LEU 59 - QD1 LEU 84 lone 2 65 - 3 - HG LEU 126 - QD1 LEU 84 lone 2 100 - 2 - HB2 LEU 126 - QD1 LEU 84 lone 2 100 - 2 - HB3 LEU 126 - QD1 LEU 84 lone 2 99 - 2 - HG2 ARG 53 - QD1 LEU 114 lone 2 57 - 3 - HG2 PRO 30 - QD1 LEU 114 lone 1 53 - 2 - HD2 LYS 32 - QD1 LEU 114 lone 1 57 - 1 - HD3 LYS 32 - QD1 LEU 114 lone 1 57 - 1 - HD2 LYS 31 - QD1 LEU 114 lone 1 41 - 1 - HD3 LYS 31 - QD1 LEU 114 lone 1 41 - 1 - Peak 8518 from cnoeabs.peaks (7.20, 0.14, 20.83 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.69: QD PHE 107 + QD2 LEU 84 OK 51 99 - 51 - 4811=16, 2.2/4798=13...(11) HE ARG 81 + QD2 LEU 84 OK 18 93 - 20 - 6.3/7434=6, 5.0/4262=3...(6) QE PHE 40 + QD2 LEU 84 OK 15 73 - 20 - 2.2/7479=10, ~7476=4...(4) H LYS 65 + QD2 LEU 84 OK 11 87 - 12 - 7165/2.1=2, ~7166=1 QD TYR 67 - QD2 LEU 84 lone 10 100 - 10 - QD TYR 102 - QD2 LEU 84 poor 8 65 - 13 - 4.5/4260=2, 4745/8356=1 Peak 8519 from cnoeabs.peaks (2.27, 1.38, 43.83 ppm; 5.40 A): 3 out of 11 assignments used, quality = 0.94: HB2 CYS 87 + HB3 LEU 93 OK 83 100 - 83 - ~8523=23, 7520/3.8=19...(21) HG3 GLU 94 + HB3 LEU 93 OK 49 100 - 49 - 4.9/461=20, 7596/3.8=5...(14) HG3 GLN 105 + HB3 LEU 93 OK 31 90 - 34 - 7596/3.8=5, ~7599=4...(15) HG2 GLN 105 - HB3 LEU 93 OK 30 89 - 34 - 7596/3.8=5, ~7599=4...(15) HG2 GLU 94 - HB3 LEU 93 OK 30 65 - 45 - 4.9/461=20, 4.2/8305=5...(12) HG3 GLU 38 - HB3 LEU 93 OK 22 71 - 31 - 5.0/5803=3, 8524/3.1=3...(13) HG2 GLU 38 - HB3 LEU 93 OK 21 68 - 31 - 5.0/5803=3, 8524/3.1=3...(13) HB2 PRO 70 - HB3 LEU 93 OK 15 78 - 19 - 8320/3.0=4, ~8319=2...(7) HG2 GLU 56 - HB3 LEU 93 OK 14 83 - 17 - 7025/3.1=4, ~7026=3...(5) HG3 GLU 15 - HB3 LEU 93 lone 9 92 - 10 - 6321/1.8=2, ~6318=2, 8524/3.1=1 HG3 GLU 64 - HB3 LEU 93 lone 5 60 - 8 - 1241/4.4=2 Peak 8520 from cnoeabs.peaks (2.26, 1.47, 43.83 ppm; 5.32 A): 3 out of 26 assignments used, quality = 0.94: HB2 CYS 87 + HB2 LEU 93 OK 84 99 - 85 - ~8523=22, 7520/3.8=19...(22) HG3 GLU 94 + HB2 LEU 93 OK 44 99 - 45 - 4536/4.4=15, 8519/1.8=6...(14) HB3 LEU 117 + HB2 LEU 93 OK 34 57 - 59 - ~7607=13, 8524/3.1=7...(19) HG3 GLN 105 - HB2 LEU 93 OK 30 85 - 35 - ~7599=4, 7596/3.8=4...(16) HG2 GLU 94 - HB2 LEU 93 OK 29 73 - 40 - 4.9/460=14, ~8519=5...(12) HG2 GLN 105 - HB2 LEU 93 OK 29 83 - 35 - ~7599=4, 7596/3.8=4...(16) HG3 GLU 38 - HB2 LEU 93 OK 28 78 - 36 - 4.0/6707=4, 5.0/6704=4...(17) HG2 GLU 38 - HB2 LEU 93 OK 28 76 - 36 - 4.0/6707=4, 5.0/6704=4...(17) HB2 PRO 70 - HB2 LEU 93 OK 18 85 - 21 - 8320/3.0=4, 8524/3.1=2...(8) HG2 GLU 56 - HB2 LEU 93 OK 16 89 - 18 - 7025/3.1=4, ~7026=3...(5) HG3 GLU 15 - HB2 LEU 93 OK 14 96 - 14 - 6321=3, 1.8/6318=2...(6) HG3 GLU 94 - HB3 LEU 58 OK 12 49 - 24 - 4.9/460=3, 4537/3.0=2...(9) HG2 GLU 94 - HB3 LEU 58 poor 6 31 - 20 - 4.9/460=3, ~4519=2...(9) HB3 LEU 117 - HB3 LEU 58 poor 6 23 - 26 - ~8534=5, 5144/4.6=4...(8) HG3 GLU 64 - HB3 LEU 58 poor 6 28 - 21 - ~3559=2, ~3358=2...(10) HG3 GLU 64 - HB2 LEU 93 lone 5 68 - 8 - 1241/4.4=2 HB2 CYS 87 - HB3 LEU 58 lone 4 49 - 8 - 7519/3.9=3 HB2 PRO 68 - HB2 LEU 93 lone 4 60 - 7 - 1241/4.4=2, ~7598=1 HG3 GLU 38 - HB3 LEU 58 lone 3 33 - 10 - HG2 GLU 38 - HB3 LEU 58 lone 3 32 - 10 - HG3 GLU 15 - HB3 LEU 58 lone 3 45 - 6 - 4.1/8187=1 HB2 PRO 68 - HB3 LEU 58 lone 2 24 - 9 - ~3728=1 HB2 PRO 70 - HB3 LEU 58 lone 2 37 - 5 - HG2 GLU 56 - HB3 LEU 58 lone 2 39 - 5 - HG3 GLN 105 - HB3 LEU 58 lone 1 37 - 3 - HG2 GLN 105 - HB3 LEU 58 lone 1 36 - 3 - Peak 8521 from cnoeabs.peaks (2.27, 1.49, 26.18 ppm; 5.34 A): 3 out of 22 assignments used, quality = 0.97: HB2 CYS 87 + HG LEU 93 OK 83 100 - 83 - ~8523=26, 7520/5.3=15...(19) HB2 CYS 87 + HG LEU 91 OK 69 90 - 76 - 8374/2.1=19, 8375/2.1=15...(17) HG3 GLU 94 + HG LEU 93 OK 39 100 - 39 - 4.9/5804=9, 8519/3.0=5...(14) HG3 GLU 38 - HG LEU 93 OK 22 71 - 30 - 8524/2.1=3, ~8524=3...(13) HG2 GLU 94 - HG LEU 93 OK 21 65 - 33 - 4.9/5804=9, ~8519=4...(11) HG2 GLU 38 - HG LEU 93 OK 21 68 - 30 - 8524/2.1=3, ~8524=3...(13) HG3 GLN 105 - HG LEU 93 OK 19 90 - 21 - 7596/5.3=3, 8519/3.0=3...(9) HG2 GLN 105 - HG LEU 93 OK 19 89 - 21 - 7596/5.3=3, 8519/3.0=3...(9) HG2 GLU 56 - HG LEU 93 OK 14 83 - 17 - 7025/2.1=4, ~7026=4...(5) HG3 GLU 94 - HG LEU 91 OK 12 90 - 14 - 4.9/462=4, 8374/2.1=3 HB2 PRO 70 - HG LEU 93 OK 12 78 - 15 - 8320/4.3=3, 8524/2.1=2...(5) HG3 GLN 105 - HG LEU 91 poor 9 77 - 11 - 8374/2.1=3, ~8374=2...(4) HG2 GLN 105 - HG LEU 91 poor 9 75 - 11 - 8374/2.1=3, ~8374=2...(4) HB2 PRO 70 - HG LEU 91 poor 8 65 - 13 - ~7257=2, 7253/3.0=2...(6) HG3 GLU 15 - HG LEU 93 lone 8 92 - 9 - 6321/3.0=2, ~6318=1...(4) HG3 GLU 38 - HG LEU 91 poor 8 59 - 14 - ~6713=2, 6713/2.1=1...(6) HG2 GLU 38 - HG LEU 91 poor 8 56 - 14 - ~6713=2, 6713/2.1=1...(6) HG2 GLU 94 - HG LEU 91 poor 6 54 - 11 - 4.9/462=4, ~8374=2, ~8375=2 HG2 GLU 56 - HG LEU 91 lone 5 70 - 7 - 7025/2.1=2, ~7026=2 HG3 GLU 64 - HG LEU 93 lone 4 60 - 6 - HG3 GLU 15 - HG LEU 91 lone 4 79 - 5 - HG3 GLU 64 - HG LEU 91 lone 1 49 - 3 - Peak 8522 from cnoeabs.peaks (2.46, 0.76, 24.83 ppm; 5.12 A): 4 out of 6 assignments used, quality = 0.95: HB3 CYS 87 + QD2 LEU 93 OK 83 100 - 84 - 8523/2.1=32, ~8524=11...(20) HB3 CYS 87 + HG LEU 111 OK 38 85 - 45 - 7546=5, 1.8/7541=5...(18) HB3 CYS 87 + QD2 LEU 111 OK 31 77 - 40 - 7546/2.1=5, 7546=4...(15) HB2 CYS 52 + QD2 LEU 93 OK 28 85 - 33 - 8523/2.1=8, 4.4/6962=7...(7) HB2 CYS 52 - HG LEU 111 OK 14 66 - 21 - 4.4/6962=3, 1.8/6952=3...(8) HB2 CYS 52 - QD2 LEU 111 poor 9 59 - 15 - 6950/2.1=3, 4.4/6962=3...(6) Peak 8523 from cnoeabs.peaks (2.46, 0.83, 25.26 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.82: HB3 CYS 87 + QD1 LEU 93 OK 77 100 - 77 - 8522/2.1=14, 7545=14...(19) HB2 CYS 52 + QD1 LEU 93 OK 20 96 - 21 - 4.4/5806=6, 8522/2.1=5...(4) Peak 8524 from cnoeabs.peaks (2.25, 0.83, 25.26 ppm; 3.83 A): 7 out of 15 assignments used, quality = 0.90: HB2 CYS 87 + QD1 LEU 93 OK 63 95 - 66 - 1.8/8523=19, 7540=10...(17) HB3 LEU 117 + QD1 LEU 93 OK 38 76 - 50 - 3.0/7607=15, 3.1/8378=9...(16) HG3 GLU 94 + QD1 LEU 93 OK 21 95 - 22 - 4.9/5806=7, 8519/3.1=2...(7) HG2 GLU 94 + QD1 LEU 93 OK 16 89 - 19 - 4.9/5806=7, ~8519=2...(7) HG3 GLU 38 + QD1 LEU 93 OK 16 92 - 17 - 6711/3.1=2, 5.0/5806=2...(7) HG2 GLU 38 + QD1 LEU 93 OK 15 90 - 17 - 6711/3.1=2, 5.0/5806=2...(7) HG2 GLU 56 + QD1 LEU 93 OK 10 97 - 11 - 7025/2.1=3, ~7026=2 HB2 PRO 70 - QD1 LEU 93 poor 10 96 - 10 - 8320/3.8=2, 7253/3.1=1 HG3 GLN 105 - QD1 LEU 93 poor 8 68 - 12 - 8519/3.1=2, 7596/4.7=2...(6) HG2 GLN 105 - QD1 LEU 93 poor 8 65 - 12 - 7596/4.7=2, 8519/3.1=2...(6) HG3 GLU 15 - QD1 LEU 93 lone 6 100 - 6 - 6321/3.1=1 HG3 GLU 64 - QD1 LEU 93 lone 3 85 - 3 - HB2 PRO 68 - QD1 LEU 93 lone 3 78 - 3 - HG3 GLU 28 - QD1 LEU 93 lone 2 73 - 3 - HG2 GLU 28 - QD1 LEU 93 lone 2 68 - 3 - Peak 8525 from cnoeabs.peaks (4.45, 0.83, 25.26 ppm; 4.28 A): 3 out of 5 assignments used, quality = 0.73: HA SER 90 + QD1 LEU 93 OK 55 90 - 61 - 3.0/8526=17, 7572=13...(17) HA SER 113 + QD1 LEU 93 OK 31 99 - 31 - 3.6/8528=5, 3.0/7932=4...(9) HA SER 29 + QD1 LEU 93 OK 14 95 - 14 - 3.0/8526=2, 3.0/8526=2...(5) HA LYS 32 - QD1 LEU 93 lone 7 73 - 10 - ~122=2, 3.8/8377=2, ~123=1 HA PRO 60 - QD1 LEU 93 lone 4 83 - 5 - 4.8/3394=2 Peak 8526 from cnoeabs.peaks (3.79, 0.83, 25.26 ppm; 3.71 A): 3 out of 11 assignments used, quality = 0.71: HB2 SER 90 + QD1 LEU 93 OK 57 100 - 58 - 7575=17, 1.8/7579=12...(12) HA2 GLY 88 + QD1 LEU 93 OK 19 90 - 21 - 3.0/7553=4, 3.6/8528=4...(6) HA3 GLY 88 + QD1 LEU 93 OK 17 83 - 20 - 3.0/7553=4, 3.6/8528=4...(6) HB2 SER 29 - QD1 LEU 93 lone 7 87 - 8 - 3.0/8525=3 HB3 SER 29 - QD1 LEU 93 lone 7 85 - 8 - 3.0/8525=3 HD2 PRO 30 - QD1 LEU 93 lone 5 60 - 8 - 3.8/8525=2, 1.8/6599=1 HA2 GLY 61 - QD1 LEU 93 lone 4 100 - 4 - 3.6/7094=2 HA3 GLY 39 - QD1 LEU 93 lone 4 95 - 4 - HB2 SER 74 - QD1 LEU 93 lone 1 95 - 1 - HB3 SER 74 - QD1 LEU 93 lone 1 93 - 1 - HB2 SER 72 - QD1 LEU 93 lone 1 85 - 1 - Peak 8527 from cnoeabs.peaks (7.98, 0.76, 24.83 ppm; 4.40 A): 8 out of 18 assignments used, quality = 0.92: H ARG 92 + QD2 LEU 93 OK 45 85 - 53 - 450/4.7=11, 448/2.1=8...(12) H LEU 114 + HG LEU 111 OK 32 81 - 40 - 6219/4.3=11, 1764/4.9=10...(11) H LEU 114 + QD2 LEU 111 OK 28 73 - 38 - 6219/4.0=11, 1358/2.1=3...(15) H LEU 114 + QD2 LEU 93 OK 25 98 - 25 - 8528/2.1=4, 450/4.7=4...(6) H ARG 92 + HG LEU 111 OK 22 66 - 33 - 4.2/4385=4, 4.2/4392=4...(10) H ALA 89 + QD2 LEU 93 OK 22 73 - 30 - 4.5/7569=5, 8528/2.1=4...(8) H THR 17 + QD2 LEU 111 OK 20 68 - 30 - 4.0/6336=9, 4.8/8163=6...(6) H VAL 66 + QD2 LEU 93 OK 20 85 - 23 - 1093=3, 3.6/7166=3...(11) H ARG 92 - QD2 LEU 111 OK 19 59 - 32 - 4.2/4385=4, 4.2/4392=4...(10) H THR 17 - HG LEU 111 OK 18 76 - 24 - 6328/3.0=5, 4.8/8163=5...(6) H VAL 66 - HG LEU 111 OK 13 66 - 20 - 4.6/7165=3, 3.6/7166=3...(8) H ALA 89 - HG LEU 111 OK 10 56 - 18 - 6219/4.3=3, 4.5/7569=2...(5) HE ARG 85 - QD2 LEU 93 lone 8 100 - 8 - 8714/2.1=1, 7.2/417=1 H VAL 66 - QD2 LEU 111 poor 8 59 - 13 - 1093/2.1=2, 6219/4.0=2...(6) H ALA 89 - QD2 LEU 111 poor 7 49 - 14 - 6219/4.0=3, 4.5/7569=2 H THR 17 - QD2 LEU 93 lone 6 95 - 6 - HE ARG 85 - HG LEU 111 lone 5 85 - 6 - 7.2/417=1 HE ARG 85 - QD2 LEU 111 lone 5 77 - 6 - 7.2/417=1, 6219/4.0=1 Peak 8528 from cnoeabs.peaks (7.96, 0.83, 25.26 ppm; 4.99 A): 4 out of 6 assignments used, quality = 0.93: H ARG 92 + QD1 LEU 93 OK 69 100 - 69 - 4.6/4505=16, 448=12...(18) H ALA 89 + QD1 LEU 93 OK 47 100 - 47 - 4.5/7568=7, 3.6/8526=6...(19) H LEU 114 + QD1 LEU 93 OK 46 96 - 48 - 3.6/8525=10, 450/4.7=5...(15) H VAL 66 + QD1 LEU 93 OK 20 100 - 20 - 1093/2.1=4, 450/4.7=4...(5) HE ARG 85 - QD1 LEU 93 lone 8 78 - 10 - 8714/2.1=1, 450/4.7=1 H SER 44 - QD1 LEU 93 lone 6 96 - 6 - 450/4.7=1 Peak 8529 from cnoeabs.peaks (2.46, 0.97, 21.16 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.48: HB3 CYS 87 + QG2 THR 95 OK 48 100 - 48 - 1.8/8530=19, 7544=16...(7) HB2 CYS 52 - QG2 THR 95 lone 5 96 - 5 - 7191/7627=1 Peak 8530 from cnoeabs.peaks (2.26, 0.97, 21.16 ppm; 3.77 A): 3 out of 13 assignments used, quality = 0.69: HB2 CYS 87 + QG2 THR 95 OK 53 99 - 54 - 1.8/8529=30, 7539=15...(8) HG3 GLU 94 + QG2 THR 95 OK 21 99 - 21 - 5.0/4550=13, 4.9/7614=4...(4) HG2 GLU 94 + QG2 THR 95 OK 15 73 - 21 - 5.0/4550=13, 4.9/7614=4...(4) HB2 PRO 68 - QG2 THR 95 lone 4 60 - 7 - 469/4.0=1, 3.0/4552=1 HG2 GLU 56 - QG2 THR 95 lone 4 89 - 4 - HB2 PRO 70 - QG2 THR 95 lone 3 85 - 4 - HG3 GLU 38 - QG2 THR 95 lone 3 78 - 4 - HG2 GLU 38 - QG2 THR 95 lone 3 76 - 4 - HG3 GLU 64 - QG2 THR 95 lone 2 68 - 3 - 5810/4.0=1 HG3 GLU 15 - QG2 THR 95 lone 2 96 - 2 - HG3 GLN 105 - QG2 THR 95 lone 2 85 - 2 - HG2 GLN 105 - QG2 THR 95 lone 2 83 - 2 - HB3 LEU 117 - QG2 THR 95 lone 1 57 - 2 - Peak 8531 from cnoeabs.peaks (1.90, 3.89, 68.17 ppm; 5.29 A): 2 out of 15 assignments used, quality = 0.98: HB2 LEU 84 + HB THR 95 OK 88 100 - 88 - 3.1/7625=30, 1.8/8532=21...(14) HG LEU 84 + HB THR 95 OK 82 95 - 87 - 2.1/7625=32, ~7626=22...(13) HB ILE 80 - HB THR 95 OK 17 81 - 21 - 3.9/4546=7, 7632/4.4=3...(7) HB VAL 50 - HB THR 95 OK 12 90 - 13 - ~6924=3, 5602/4.1=3...(4) HB2 ARG 81 - HB THR 95 lone 9 99 - 9 - 4262/7625=2, 7632/4.4=1 HB2 LEU 58 - HB THR 95 poor 9 60 - 14 - ~8749=2, 3.1/4549=2...(5) HB2 ARG 92 - HB THR 95 poor 8 71 - 12 - 4.2/7621=6, 5.1/7621=2 HG LEU 55 - HB THR 95 lone 6 89 - 7 - 4.7/1628=1 HB ILE 22 - HB THR 95 lone 6 99 - 6 - HB2 LYS 119 - HB THR 95 lone 5 90 - 5 - HB3 LYS 31 - HB THR 95 lone 5 90 - 5 - 4.7/5813=1, 5519/4.4=1 HB2 GLU 28 - HB THR 95 lone 4 100 - 4 - HB2 LEU 21 - HB THR 95 lone 4 71 - 6 - 4244/7625=1 HB3 GLU 73 - HB THR 95 lone 3 97 - 3 - HB3 MET 11 - HB THR 95 lone 2 92 - 2 - Peak 8532 from cnoeabs.peaks (1.30, 3.89, 68.17 ppm; 5.31 A): 3 out of 7 assignments used, quality = 0.91: HB3 LEU 84 + HB THR 95 OK 81 93 - 87 - 3.1/7625=30, 3.1/7624=18...(14) HG CYS 87 + HB THR 95 OK 45 89 - 51 - ~8529=25, ~8530=14...(6) QD1 ILE 80 + HB THR 95 OK 13 60 - 21 - 4.9/4546=6, 8345/7625=2...(8) QG2 THR 23 - HB THR 95 lone 5 81 - 6 - 4263/7625=1 HG LEU 54 - HB THR 95 lone 5 92 - 5 - 5.2/236=1 HG3 LYS 119 - HB THR 95 lone 4 73 - 5 - 4263/7625=1 QG2 THR 116 - HB THR 95 lone 3 63 - 5 - Peak 8533 from cnoeabs.peaks (2.28, 2.72, 38.26 ppm; 5.10 A): 2 out of 6 assignments used, quality = 0.63: HG2 GLN 105 + HB3 ASN 99 OK 39 100 - 39 - 8448=12, 1.8/8448=10...(7) HG3 GLN 105 + HB3 ASN 99 OK 39 100 - 39 - 8448=12, 1.8/8448=10...(7) HG3 GLU 94 - HB3 ASN 99 lone 3 92 - 3 - HB VAL 120 - HB3 ASN 99 lone 1 93 - 2 - HB2 CYS 87 - HB3 ASN 99 lone 1 92 - 2 - HG2 GLN 16 - HB3 ASN 99 lone 1 81 - 2 - Peak 8534 from cnoeabs.peaks (1.01, 3.99, 57.98 ppm; 4.09 A): 4 out of 7 assignments used, quality = 0.90: QG1 VAL 120 + HA LEU 117 OK 68 87 - 79 - 2.1/8060=22, 2.1/6258=20...(21) QD1 LEU 58 + HA LEU 117 OK 38 97 - 40 - 5650/3.0=6, 3382/3.6=6...(12) QD2 LEU 58 + HA LEU 117 OK 29 85 - 34 - 5649/3.0=4, ~5650=4...(11) HB3 LEU 27 + HA LEU 117 OK 26 99 - 26 - 8011/3.6=4, 3.1/5135=4...(9) QD2 LEU 101 - HA LEU 117 poor 9 85 - 11 - QG1 VAL 18 - HA LEU 117 lone 5 63 - 8 - 5649/3.0=2, 3375/3.6=1 QD1 LEU 101 - HA LEU 117 lone 5 65 - 8 - Peak 8535 from cnoeabs.peaks (2.19, 0.57, 21.11 ppm; 3.82 A): 7 out of 12 assignments used, quality = 0.91: HB VAL 49 + QG1 VAL 50 OK 56 100 - 56 - 4.4/996=13, 6923/2.1=13...(10) HB VAL 26 + QG1 VAL 50 OK 47 98 - 48 - 6923/2.1=10, ~8215=6...(13) HG12 ILE 80 + QG1 VAL 50 OK 23 76 - 30 - 2.1/7419=9, 3.0/7424=6...(9) HB2 GLU 73 + QG1 VAL 50 OK 18 100 - 17 - 6923/2.1=3, 8739=2...(7) HB VAL 26 + QD2 LEU 45 OK 15 74 - 20 - 4.4/6917=2, ~2904=1...(10) HG12 ILE 80 + QD2 LEU 45 OK 14 52 - 27 - 2.1/7419=10, ~8344=7...(6) HG2 PRO 37 + QG1 VAL 50 OK 12 90 - 14 - 6923/2.1=3, 216/4.0=2...(4) HB VAL 49 - QD2 LEU 45 poor 8 78 - 10 - 4.4/996=4, 6923/3065=1 HB3 PRO 37 - QG1 VAL 50 poor 7 60 - 11 - 6923/2.1=2, ~6923=2...(5) HG2 PRO 37 - QD2 LEU 45 lone 4 65 - 7 - 6684/2605=2 HB2 GLU 73 - QD2 LEU 45 lone 4 77 - 5 - HB3 PRO 37 - QD2 LEU 45 lone 2 40 - 5 - 6681/2605=1 Peak 8536 from cnoeabs.peaks (1.43, 1.91, 29.62 ppm; 4.02 A): 4 out of 26 assignments used, quality = 0.60: QB ALA 98 + HB2 ARG 81 OK 37 100 - 37 - 7659/4.0=13, 7435/3.0=8...(6) HB2 LEU 51 + HB2 ARG 81 OK 18 99 - 18 - 7435/3.0=4, 7436/4.0=3...(7) HB3 GLU 75 + HB3 GLU 73 OK 15 71 - 21 - 3.0/7439=4, 3964/2.9=2...(8) QB ALA 89 + HB2 ARG 81 OK 11 93 - 12 - 7659/4.0=3, 7435/3.0=2...(4) HB2 LEU 27 - HB3 GLU 73 poor 9 58 - 16 - 1.8/6519=2, ~8484=2...(9) HG LEU 24 - HB3 GLU 73 poor 9 71 - 13 - ~8738=2, ~8741=2...(6) HB3 LEU 101 - HB2 ARG 81 lone 8 95 - 9 - 7436/4.0=2, 7435/3.0=2 HB3 LEU 91 - HB2 ARG 81 lone 8 100 - 8 - 7435/3.0=2, 7436/4.0=1 QB ALA 98 - HB3 GLU 73 lone 8 99 - 8 - 7659/4112=1, 7667/7347=1 QB ALA 122 - HB2 ARG 81 lone 6 95 - 7 - 7659/4.0=2, 7435/3.0=2 HB2 LEU 27 - HB2 ARG 81 lone 5 60 - 8 - 7435/3.0=2, 4.3/883=1 QB ALA 89 - HB3 GLU 73 lone 4 91 - 5 - HB3 LEU 91 - HB3 GLU 73 lone 4 99 - 4 - HB3 LEU 101 - HB3 GLU 73 lone 3 93 - 4 - HB2 LEU 51 - HB3 GLU 73 lone 3 98 - 3 - HB3 GLU 75 - HB2 ARG 81 lone 3 73 - 4 - HB3 LEU 45 - HB2 ARG 81 lone 3 73 - 4 - HD2 LYS 65 - HB2 ARG 81 lone 3 89 - 3 - HD3 LYS 65 - HB2 ARG 81 lone 3 89 - 3 - HG LEU 24 - HB2 ARG 81 lone 3 73 - 4 - HG LEU 59 - HB2 ARG 81 lone 3 73 - 3 - HG LEU 59 - HB3 GLU 73 lone 2 71 - 3 - HB3 LEU 45 - HB3 GLU 73 lone 2 71 - 3 - QB ALA 122 - HB3 GLU 73 lone 2 93 - 2 - HD2 LYS 65 - HB3 GLU 73 lone 1 87 - 2 - HD3 LYS 65 - HB3 GLU 73 lone 1 87 - 2 - Peak 8537 from cnoeabs.peaks (8.00, 1.95, 29.56 ppm; 4.80 A): 3 out of 15 assignments used, quality = 0.74: HE ARG 85 + HB2 ARG 85 OK 45 48 - 94 - 5.0=87, 8712/1.8=13...(12) HE ARG 85 + HB3 ARG 85 OK 45 48 - 94 - 5.0=87, 8712/1.8=13...(12) H LEU 114 + HB3 GLU 94 OK 14 71 - 19 - 3.0/4525=2, ~4519=2...(6) HE ARG 85 - HB3 GLU 94 lone 6 92 - 6 - H THR 17 - HB3 ARG 85 lone 6 57 - 10 - 7516/4.7=3, 1539/4.0=2 H THR 17 - HB2 ARG 85 lone 6 57 - 10 - 7516/4.7=3, 1539/4.0=2 H LEU 114 - HB3 ARG 85 poor 6 34 - 16 - 7516/4.7=4, 7504/3.9=3...(7) H LEU 114 - HB2 ARG 85 poor 6 34 - 16 - 7516/4.7=4, 7504/3.9=3...(7) H THR 116 - HB3 GLU 94 lone 4 81 - 4 - H THR 19 - HB3 GLU 94 lone 3 81 - 3 - H THR 17 - HB3 GLU 94 lone 2 100 - 2 - H THR 19 - HB2 ARG 85 lone 2 40 - 6 - 46/4.7=1 H THR 19 - HB3 ARG 85 lone 2 40 - 6 - 46/4.7=1 H THR 116 - HB3 ARG 85 lone 1 40 - 4 - H THR 116 - HB2 ARG 85 lone 1 40 - 4 - Peak 8552 from cnoeabs.peaks (7.19, 0.70, 35.98 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.92: QD TYR 67 + HG3 GLU 75 OK 83 97 - 85 - 8329/3.6=19, 2.2/4701=18...(18) QD PHE 107 + HG3 GLU 75 OK 37 100 - 37 - 8329/3.6=8, 8332/3.0=7...(10) H LYS 65 + HG3 GLU 75 OK 26 73 - 35 - 3.0/7167=7, 8332/3.0=6...(11) HE ARG 81 - HG3 GLU 75 lone 7 99 - 7 - 8329/3.6=2, 8332/3.0=1 Peak 8553 from cnoeabs.peaks (6.78, 0.70, 35.98 ppm; 5.45 A): 3 out of 7 assignments used, quality = 0.93: QE TYR 67 + HG3 GLU 75 OK 84 97 - 86 - 4693/3.6=27, 4697/1.8=24...(15) HH2 TRP 20 + HG3 GLU 75 OK 42 92 - 45 - 8330/3.6=7, 8337/1.8=7...(13) HD22 ASN 99 + HG3 GLU 75 OK 23 90 - 25 - 1.7/7681=8, 7683=8...(6) HZ PHE 107 - HG3 GLU 75 OK 16 73 - 22 - 3.8/8552=8, ~4789=4...(6) H VAL 110 - HG3 GLU 75 OK 15 97 - 15 - 8330/3.6=4, 8337/1.8=2...(4) HE21 GLN 42 - HG3 GLU 75 OK 12 93 - 13 - 8330/3.6=2, 6791/3.0=2...(6) H LEU 27 - HG3 GLU 75 lone 3 81 - 4 - Peak 8554 from cnoeabs.peaks (0.83, 1.13, 26.08 ppm; 3.29 A): 6 out of 8 assignments used, quality = 0.93: QD1 LEU 93 + QD2 LEU 117 OK 46 100 - 47 - 8378=11, 7607/3.8=9...(13) QD2 LEU 114 + QD2 LEU 117 OK 45 87 - 52 - 7960=19, 2.1/8012=8...(14) QD1 LEU 59 + QD2 LEU 117 OK 37 99 - 38 - 7084/2.1=5, 7084/3.1=4...(12) QD2 LEU 91 + QD2 LEU 117 OK 36 87 - 41 - 8369=12, 2.1/8372=6...(16) QD2 LEU 55 + QD2 LEU 117 OK 26 93 - 28 - 4.0/7009=4, 2.1/8297=3...(8) HB2 ASN 118 + QD2 LEU 117 OK 25 96 - 26 - 4.0/602=5, 3.0/8022=5...(11) QG1 VAL 115 - QD2 LEU 117 OK 18 100 - 18 - 5112/2.1=2, 8001/4.6=2...(5) HG13 ILE 22 - QD2 LEU 117 OK 13 100 - 13 - 2171/2.1=1 Peak 8558 from cnoeabs.peaks (7.23, 3.22, 42.96 ppm; 5.12 A): 2 out of 12 assignments used, quality = 0.77: HE ARG 71 + HD2 ARG 71 OK 73 73 - 100 - 2.9=100 HE ARG 71 + HD2 ARG 81 OK 12 29 - 41 - ~4158=4, 2.9/3892=4...(21) H VAL 26 - HD2 ARG 71 lone 7 85 - 8 - ~8690=3, ~8691=1 QD TYR 102 - HD2 ARG 71 lone 6 99 - 6 - QE PHE 40 - HD2 ARG 71 lone 6 97 - 6 - QE PHE 96 - HD2 ARG 71 lone 5 92 - 5 - QD TYR 102 - HD2 ARG 81 poor 5 46 - 11 - ~4750=3, ~7759=2 H LYS 65 - HD2 ARG 71 lone 3 90 - 3 - QE PHE 96 - HD2 ARG 81 lone 3 40 - 6 - ~4819=2, 4704/4784=1, 4719/3.5=1 H LYS 65 - HD2 ARG 81 lone 2 39 - 6 - 303/3.5=2, 302/3.5=1, 7160/396=1 H VAL 26 - HD2 ARG 81 lone 1 35 - 4 - QE PHE 40 - HD2 ARG 81 lone 1 44 - 3 - Peak 8559 from cnoeabs.peaks (7.23, 3.19, 42.96 ppm; 5.06 A): 2 out of 14 assignments used, quality = 0.70: HE ARG 71 + HD3 ARG 71 OK 65 65 - 100 - 2.9=100 HE ARG 71 + HD2 ARG 81 OK 13 30 - 42 - 2.9/3885=5, ~4158=4...(21) H VAL 26 - HD3 ARG 71 lone 7 78 - 9 - 3.0/8690=4 QD TYR 102 - HD2 ARG 81 poor 6 55 - 11 - ~4750=3, ~7759=2 QD TYR 102 - HD3 ARG 71 lone 6 100 - 6 - QE PHE 40 - HD3 ARG 71 lone 6 99 - 6 - QE PHE 96 - HD3 ARG 71 lone 5 87 - 5 - QD TYR 67 - HD3 ARG 71 lone 4 65 - 6 - H LYS 65 - HD3 ARG 71 lone 3 95 - 4 - H LYS 65 - HD2 ARG 81 lone 3 49 - 7 - 303/3.5=2, 7160/396=1, 302/3.5=1 QE PHE 96 - HD2 ARG 81 lone 3 43 - 6 - ~4819=1 H VAL 26 - HD2 ARG 81 lone 2 37 - 6 - 3.0/8690=3 QE PHE 40 - HD2 ARG 81 lone 2 54 - 3 - QD TYR 67 - HD2 ARG 81 lone 2 30 - 5 - Peak 8563 from cnoeabs.peaks (7.18, 3.20, 43.31 ppm; 4.93 A): 2 out of 12 assignments used, quality = 1.00: HE ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 2.9=100 QD PHE 107 + HD2 ARG 81 OK 71 100 - 71 - 4813=14, 8564/1.8=13...(20) HE ARG 81 - HD3 ARG 71 OK 29 56 - 52 - 8565/1.8=7, 8565=6...(22) HE ARG 81 - HD2 ARG 71 OK 25 48 - 51 - 8565=9, 8565/1.8=5...(22) QD PHE 107 - HD3 ARG 71 OK 19 55 - 35 - 4813=6, 4813/1.8=4...(10) QD PHE 107 - HD2 ARG 71 OK 17 48 - 36 - 4813/1.8=5, 2.2/4784=5...(11) QD PHE 107 - HD2 ARG 53 OK 16 57 - 28 - 4813=4, 4857/1.8=3...(11) QD TYR 67 - HD2 ARG 81 poor 10 90 - 11 - 8564/1.8=2 HE ARG 81 - HD2 ARG 53 poor 9 57 - 16 - ~8539=2, ~3175=1...(5) QD TYR 67 - HD3 ARG 71 lone 3 45 - 8 - QD TYR 67 - HD2 ARG 71 lone 3 39 - 8 - QD TYR 67 - HD2 ARG 53 lone 2 47 - 5 - Peak 8564 from cnoeabs.peaks (7.18, 3.13, 43.31 ppm; 5.31 A): 2 out of 9 assignments used, quality = 1.00: HE ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 2.9=100 QD PHE 107 + HD3 ARG 81 OK 74 100 - 74 - 4813/1.8=14, ~4784=10...(24) HE ARG 81 - HD2 ARG 92 OK 11 51 - 22 - 8566=3, 8566/1.8=2...(11) HE ARG 81 - HD3 ARG 92 OK 11 50 - 22 - 8566=3, 8566/1.8=3...(11) QD TYR 67 - HD3 ARG 81 lone 9 90 - 10 - 8563/1.8=1 QD PHE 107 - HD2 ARG 92 lone 1 51 - 2 - QD PHE 107 - HD3 ARG 92 lone 1 49 - 2 - QD TYR 67 - HD2 ARG 92 lone 1 41 - 2 - QD TYR 67 - HD3 ARG 92 lone 1 40 - 2 - Peak 8574 from cnoeabs.peaks (4.04, 1.46, 29.42 ppm; 4.93 A): 4 out of 7 assignments used, quality = 0.93: HA LYS 109 + HD2 LYS 46 OK 64 92 - 70 - 4885/1.8=9, ~4905=7...(29) HA TYR 102 + HD2 LYS 46 OK 59 98 - 60 - 7737/2.9=14, 7737/2.9=14...(10) HD3 PRO 37 + HD2 LYS 46 OK 36 99 - 36 - 6694/3.0=8, ~6697=5...(13) HA ALA 14 + HD2 LYS 46 OK 29 90 - 32 - 6295/2.9=4, 6295/2.9=4...(12) HA LEU 55 - HD2 LYS 46 OK 19 85 - 22 - 8272/3.5=3, 6861/5.2=2...(9) HA SER 112 - HD2 LYS 46 OK 13 81 - 17 - 8272/3.5=2, 6861/5.2=1...(4) HA GLN 16 - HD2 LYS 46 lone 9 100 - 9 - 3.6/6330=1 Peak 8575 from cnoeabs.peaks (6.87, 1.33, 24.73 ppm; 4.09 A): 4 out of 15 assignments used, quality = 1.00: QE TYR 102 + HG2 LYS 46 OK 82 100 - 82 - 4759=19, 4759/1.8=17...(20) QE TYR 102 + HG3 LYS 46 OK 82 100 - 82 - 4759=19, 4759/1.8=17...(20) H LYS 46 + HG3 LYS 46 OK 66 76 - 87 - 5.1=50, 8577/2.9=10...(22) H LYS 46 + HG2 LYS 46 OK 66 76 - 87 - 5.1=50, 8577/2.9=10...(22) HZ3 TRP 20 - HG3 LYS 46 OK 39 85 - 46 - 4643=7, 4643/1.8=6...(16) HZ3 TRP 20 - HG2 LYS 46 OK 39 85 - 46 - 4643=7, 4643/1.8=6...(16) HE22 GLN 103 - HG3 LYS 46 OK 33 78 - 43 - 763/3.9=7, 764/3.9=6...(13) HE22 GLN 103 - HG2 LYS 46 OK 33 78 - 43 - 763/3.9=7, 764/3.9=6...(13) H LYS 46 - HG3 LYS 119 OK 15 63 - 24 - 2.9/2924=3, ~6860=3...(10) QE TYR 102 - HG3 LYS 119 OK 13 89 - 14 - 4759=3, 2.2/4820=2...(5) HZ3 TRP 20 - HG3 LYS 119 lone 4 71 - 5 - HE22 GLN 103 - HG3 LYS 119 lone 2 65 - 3 - HE22 GLN 105 - HG3 LYS 46 lone 1 68 - 2 - HE22 GLN 105 - HG2 LYS 46 lone 1 68 - 2 - HE22 GLN 105 - HG3 LYS 119 lone 1 56 - 1 - Peak 8576 from cnoeabs.peaks (6.88, 1.53, 29.42 ppm; 4.78 A): 3 out of 4 assignments used, quality = 0.99: H LYS 46 + HD3 LYS 46 OK 87 93 - 93 - 5.7=59, 2.9/2980=15...(22) QE TYR 102 + HD3 LYS 46 OK 83 93 - 89 - 4753/3.0=19, 4754/3.0=17...(23) HE22 GLN 103 + HD3 LYS 46 OK 67 95 - 71 - 3.5/2987=14, 763/3.0=14...(15) HZ3 TRP 20 - HD3 LYS 46 OK 45 97 - 46 - 4643/2.9=8, 4643/2.9=8...(13) Peak 8577 from cnoeabs.peaks (6.87, 2.00, 33.20 ppm; 3.60 A): 5 out of 10 assignments used, quality = 0.91: QE TYR 102 + HB2 LYS 46 OK 62 100 - 62 - 4759/2.9=11, 4759/2.9=11...(20) H LYS 46 + HB2 LYS 46 OK 57 65 - 88 - 4.0=72, 4.6/5584=9...(22) HE22 GLN 103 + HB2 LYS 46 OK 24 68 - 36 - 3.5/4743=5, 3.5/4751=5...(14) HZ3 TRP 20 + HB2 LYS 46 OK 21 76 - 27 - 4643/2.9=4, 4643/2.9=4...(13) HE22 GLN 103 + HB2 MET 11 OK 10 60 - 17 - 3.5/4743=3, 3.5/4751=3...(7) H LYS 46 - HB2 MET 11 poor 7 58 - 11 - 2.9/2930=2, 973=1...(4) QE TYR 102 - HB2 MET 11 lone 5 95 - 5 - HE22 GLN 105 - HB2 MET 11 lone 2 70 - 3 - 6.3/7781=1 HE22 GLN 105 - HB2 LYS 46 lone 1 78 - 2 - HZ3 TRP 20 - HB2 MET 11 lone 1 67 - 1 - Peak 8579 from cnoeabs.peaks (6.87, 2.54, 41.63 ppm; 4.21 A): 3 out of 10 assignments used, quality = 0.95: QE TYR 102 + HE3 LYS 46 OK 81 100 - 81 - 4754=22, 4753/1.8=21...(17) H LYS 46 + HE3 LYS 46 OK 47 71 - 66 - 7.5=18, 8580/1.8=9...(16) HE22 GLN 103 + HE3 LYS 46 OK 46 73 - 63 - 763/1.8=11, ~755=11...(17) HZ3 TRP 20 - HE3 LYS 46 OK 20 81 - 25 - 4643/3.9=4, 4643/3.9=4...(8) QE TYR 102 - HE2 LYS 65 OK 17 69 - 25 - 7751=4, 4823/5.0=3...(11) H LYS 46 - HE2 LYS 65 OK 14 42 - 33 - 2.9/3000=4, 4.0/2948=3...(15) HZ3 TRP 20 - HE2 LYS 65 lone 4 49 - 8 - ~8652=2, ~8685=1, 2.4/8653=1 HE22 GLN 103 - HE2 LYS 65 lone 2 44 - 5 - 7764/7.3=1 HE22 GLN 105 - HE3 LYS 46 lone 1 73 - 2 - HE22 GLN 105 - HE2 LYS 65 lone 0 44 - 1 - Peak 8580 from cnoeabs.peaks (6.87, 2.65, 41.63 ppm; 4.21 A): 4 out of 5 assignments used, quality = 0.95: QE TYR 102 + HE2 LYS 46 OK 79 100 - 79 - 4753=22, 4754/1.8=20...(16) HE22 GLN 103 + HE2 LYS 46 OK 46 68 - 67 - 1.7/755=15, 763=13...(17) H LYS 46 + HE2 LYS 46 OK 43 65 - 65 - 7.5=18, 8579/1.8=8...(15) HZ3 TRP 20 + HE2 LYS 46 OK 18 76 - 24 - 4643/3.9=4, 4643/3.9=4...(9) HE22 GLN 105 - HE2 LYS 46 lone 1 78 - 1 - Peak 8581 from cnoeabs.peaks (7.22, 2.65, 41.63 ppm; 4.93 A): 2 out of 6 assignments used, quality = 0.95: QD TYR 102 + HE2 LYS 46 OK 90 100 - 90 - 2.2/4753=21, 4741/1.8=20...(23) H LYS 65 + HE2 LYS 46 OK 54 99 - 55 - 7163/1.8=9, 8584/3.0=9...(20) QD TYR 67 - HE2 LYS 46 OK 24 78 - 31 - ~4696=6, ~7218=5...(12) QE PHE 40 - HE2 LYS 46 OK 12 100 - 12 - 8584/3.0=2, 8582/1.8=2 QE PHE 96 - HE2 LYS 46 lone 5 76 - 7 - H VAL 26 - HE2 LYS 46 lone 3 65 - 4 - 6496/3.0=2 Peak 8582 from cnoeabs.peaks (7.22, 2.54, 41.63 ppm; 4.68 A): 3 out of 10 assignments used, quality = 0.98: QD TYR 102 + HE3 LYS 46 OK 90 100 - 90 - 4740/1.8=21, 2.2/4754=20...(23) H LYS 65 + HE3 LYS 46 OK 58 100 - 58 - 8581/1.8=10, 8584/3.0=8...(21) H LYS 65 + HE2 LYS 65 OK 50 68 - 73 - 7.3=26, 1081/5.0=11...(14) QD TYR 67 - HE2 LYS 65 OK 43 52 - 82 - 2.2/4696=28, ~7217=24...(16) QD TYR 67 - HE3 LYS 46 OK 23 85 - 28 - 2.2/4696=7, 8581/1.8=5...(10) QD TYR 102 - HE2 LYS 65 OK 22 69 - 33 - 2.2/7751=4, 4827/5.9=4...(12) QE PHE 40 - HE3 LYS 46 OK 13 100 - 12 - 8581/1.8=2, 8584/3.0=2 QE PHE 40 - HE2 LYS 65 lone 6 69 - 9 - 4680/3.8=1, 4680/3.8=1 QE PHE 96 - HE3 LYS 46 lone 5 68 - 7 - 8581/1.8=1 QE PHE 96 - HE2 LYS 65 lone 2 40 - 6 - Peak 8583 from cnoeabs.peaks (6.89, 1.46, 29.42 ppm; 4.70 A): 4 out of 4 assignments used, quality = 1.00: H LYS 46 + HD2 LYS 46 OK 90 97 - 93 - 5.7=56, 2939/3.5=15...(24) QE TYR 102 + HD2 LYS 46 OK 77 87 - 89 - 4753/3.0=17, 4754/3.0=16...(26) HE22 GLN 103 + HD2 LYS 46 OK 68 98 - 70 - 763/3.0=14, 3.5/2977=14...(14) HZ3 TRP 20 + HD2 LYS 46 OK 46 99 - 46 - 4643/2.9=7, 4643/2.9=7...(13) Peak 8584 from cnoeabs.peaks (7.23, 1.53, 29.42 ppm; 5.08 A): 2 out of 7 assignments used, quality = 0.98: QD TYR 102 + HD3 LYS 46 OK 95 100 - 95 - 4740/3.0=20, 4741/3.0=18...(30) H LYS 65 + HD3 LYS 46 OK 56 97 - 58 - 8581/3.0=10, 7163/3.0=8...(19) QD TYR 67 - HD3 LYS 46 OK 25 71 - 35 - ~4696=5, 8581/3.0=5...(13) QE PHE 40 - HD3 LYS 46 OK 13 100 - 13 - 8581/3.0=2, 6853/5.2=2...(5) H VAL 26 - HD3 LYS 46 poor 8 73 - 10 - 6496=2, 4.6/85=2, 3.6/6867=1 QE PHE 96 - HD3 LYS 46 lone 6 83 - 8 - 6853/5.2=1 HE ARG 71 - HD3 LYS 46 lone 6 60 - 10 - 3.6/2982=2, 3.6/2982=2 Peak 8585 from cnoeabs.peaks (1.25, 3.64, 60.95 ppm; 4.50 A): 4 out of 7 assignments used, quality = 0.76: QG2 ILE 80 + HA LYS 46 OK 37 87 - 43 - 3.2/4098=6, 4077=6...(16) QD1 ILE 80 + HA LYS 46 OK 37 85 - 44 - 7399/2.9=8, 4098=7...(13) HG13 ILE 124 + HA LYS 46 OK 31 97 - 32 - 4.9/6854=5, 5364/3.0=4...(14) HG LEU 77 + HA LYS 46 OK 11 90 - 13 - ~195=3, ~7338=3...(5) QG2 THR 116 - HA LYS 46 lone 7 83 - 8 - 4.3/1778=1 HG3 LYS 32 - HA LYS 46 lone 6 97 - 6 - QG2 THR 19 - HA LYS 46 lone 6 99 - 6 - Peak 8589 from cnoeabs.peaks (4.82, 3.02, 41.85 ppm; 3.70 A): 6 out of 9 assignments used, quality = 0.84: HA PHE 96 + HE2 LYS 109 OK 39 93 - 42 - 8453/4.7=9, 8452/4.7=8...(10) HA PHE 96 + HE3 LYS 109 OK 39 93 - 42 - 8453/4.7=9, 8452/4.7=8...(10) HA ASP 97 + HE3 LYS 109 OK 25 81 - 31 - 3.0/8592=7, ~8384=5...(9) HA ASP 97 + HE2 LYS 109 OK 25 81 - 31 - 3.0/8592=7, ~8384=5...(9) HA TYR 67 + HE2 LYS 109 OK 12 100 - 12 - 8452/4.7=3, 8453/4.7=3...(4) HA TYR 67 + HE3 LYS 109 OK 12 100 - 12 - 8452/4.7=3, 8453/4.7=3...(4) HA PHE 96 - HD2 ARG 85 lone 1 47 - 3 - HA TYR 67 - HD2 ARG 85 lone 1 55 - 2 - HA ASP 97 - HD2 ARG 85 lone 0 38 - 1 - Peak 8591 from cnoeabs.peaks (7.82, 3.02, 41.85 ppm; 4.47 A): 2 out of 15 assignments used, quality = 0.96: HD21 ASN 106 + HE2 LYS 109 OK 79 99 - 81 - 7802=22, 1.7/7801=18...(11) HD21 ASN 106 + HE3 LYS 109 OK 79 99 - 81 - 7802=22, 1.7/7801=18...(11) H GLY 25 - HD2 ARG 85 poor 7 55 - 13 - 85/3.0=4, 6481/6.2=4...(4) HD21 ASN 99 - HE2 LYS 109 lone 7 98 - 7 - 4.4/6180=3, 7835/3.0=1 HD21 ASN 99 - HE3 LYS 109 lone 7 98 - 7 - 4.4/6180=3, 7835/3.0=1 HD21 ASN 106 - HD2 ARG 85 lone 4 52 - 8 - 7802=2, 1.7/7801=2...(4) H GLY 25 - HE2 LYS 109 lone 4 100 - 4 - H GLY 25 - HE3 LYS 109 lone 4 100 - 4 - H ASN 79 - HE2 LYS 109 lone 3 83 - 3 - H ASN 79 - HE3 LYS 109 lone 3 83 - 3 - H ASN 79 - HD2 ARG 85 lone 3 39 - 6 - ~8745=1, 1691/6.2=1...(4) HD21 ASN 99 - HD2 ARG 85 lone 2 52 - 4 - 4.4/6180=2 H PHE 83 - HD2 ARG 85 lone 2 28 - 6 - 1684/6.2=5 H PHE 83 - HE2 LYS 109 lone 1 63 - 2 - H PHE 83 - HE3 LYS 109 lone 1 63 - 2 - Peak 8592 from cnoeabs.peaks (9.21, 3.02, 41.85 ppm; 4.65 A): 4 out of 6 assignments used, quality = 0.89: H ASP 97 + HE3 LYS 109 OK 56 100 - 56 - 8384/1.8=15, 8384=12...(9) H ASP 97 + HE2 LYS 109 OK 56 100 - 56 - 8384/1.8=15, 8384=12...(9) H ALA 98 + HE2 LYS 109 OK 25 100 - 25 - 4.6/8384=6, 3.6/8589=6...(8) H ALA 98 + HE3 LYS 109 OK 25 100 - 25 - 4.6/8384=6, 3.6/8589=6...(8) H ASP 97 - HD2 ARG 85 lone 1 55 - 2 - H ALA 98 - HD2 ARG 85 lone 1 55 - 2 - Peak 8594 from cnoeabs.peaks (8.21, 1.98, 33.25 ppm; 5.13 A): 2 out of 6 assignments used, quality = 1.00: H MET 11 + HB2 MET 11 OK 100 100 - 100 - 4.1=100 H ASP 100 + HB2 MET 11 OK 52 98 - 53 - 8595/1.8=11, 790/3.0=9...(11) H MET 11 - HB2 LYS 46 OK 21 94 - 23 - 5.1/1849=5, 2.9/1845=4...(7) H LEU 21 - HB2 MET 11 OK 13 98 - 13 - 8595/1.8=4, 1838/3.0=3...(4) H LEU 21 - HB2 LYS 46 OK 11 91 - 13 - 6401/2.9=4, 6401/2.9=4 H ASP 100 - HB2 LYS 46 lone 8 91 - 9 - 6894/4.4=2, 787=1 Peak 8595 from cnoeabs.peaks (8.21, 1.92, 33.25 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: H MET 11 + HB3 MET 11 OK 100 100 - 100 - 4.1=100 H ASP 100 + HB3 MET 11 OK 46 92 - 50 - 8594/1.8=10, 2.9/1851=9...(10) H LEU 21 - HB3 MET 11 OK 18 100 - 18 - 1838/3.0=3, 8594/1.8=2...(9) Peak 8596 from cnoeabs.peaks (8.68, 1.98, 33.25 ppm; 5.24 A): 1 out of 8 assignments used, quality = 0.99: H ASN 12 + HB2 MET 11 OK 99 99 - 100 - 4.2=100 H ASN 12 - HB2 LYS 46 OK 21 92 - 23 - 5.0/1849=5, 11=4...(6) H LEU 59 - HB2 LYS 46 OK 18 89 - 20 - 1055/2.9=3, 1055/2.9=3...(6) H LEU 117 - HB2 MET 11 OK 13 89 - 15 - 8597/1.8=5, 5431/3.0=4...(4) H LEU 59 - HB2 MET 11 OK 12 97 - 12 - 8597/1.8=4, 5431/3.0=1 H LEU 117 - HB2 LYS 46 OK 12 80 - 14 - 1778/3.0=2, 1372/1.8=1 H VAL 120 - HB2 LYS 46 poor 9 58 - 15 - 614/2.9=4, 614/2.9=4...(4) H VAL 120 - HB2 MET 11 lone 5 65 - 8 - 8597/1.8=2, 5431/3.0=1 Peak 8597 from cnoeabs.peaks (8.67, 1.92, 33.25 ppm; 5.12 A): 1 out of 4 assignments used, quality = 1.00: H ASN 12 + HB3 MET 11 OK 100 100 - 100 - 4.2=100 H LEU 117 - HB3 MET 11 OK 15 95 - 16 - 5431/3.0=4, 4.2/1851=3...(6) H LEU 59 - HB3 MET 11 OK 11 99 - 11 - 8596/1.8=2, 5431/3.0=1, 275=1 H VAL 120 - HB3 MET 11 lone 7 76 - 10 - 5431/3.0=1, 8596/1.8=1 Peak 8598 from cnoeabs.peaks (7.97, 4.44, 62.45 ppm; 5.15 A): 1 out of 14 assignments used, quality = 1.00: H LEU 114 + HA SER 113 OK 100 100 - 100 - 3.6=100 H ALA 89 - HA SER 113 OK 24 92 - 26 - 5890/3.0=4, 576/3.0=4...(6) H VAL 66 - HA SER 113 OK 23 97 - 23 - 5891/3.0=7, 5890/3.0=5...(5) H ARG 92 - HA SER 113 OK 19 97 - 19 - 5890/3.0=4, 5891/3.0=3...(7) H SER 44 - HA SER 113 OK 11 73 - 14 - 6225/4.9=5, 1516/3.0=2...(4) H THR 17 - HA SER 113 poor 9 78 - 12 - ~6343=3, 6225/4.9=2...(5) HE ARG 85 - HA SER 113 lone 8 97 - 8 - 5890/3.0=2, 5891/3.0=1...(4) H LEU 114 - HA THR 121 lone 4 45 - 8 - 4.7/5049=1, 4.7/5053=1 H VAL 66 - HA THR 121 lone 1 42 - 3 - HE ARG 85 - HA THR 121 lone 1 42 - 3 - 8745/3.0=1 H SER 44 - HA THR 121 lone 1 27 - 5 - 1453/8110=1 H ARG 92 - HA THR 121 lone 1 42 - 3 - H ALA 89 - HA THR 121 lone 1 37 - 2 - H THR 17 - HA THR 121 lone 1 30 - 2 - Peak 8603 from cnoeabs.peaks (5.04, 0.92, 22.11 ppm; 4.06 A): 0 out of 1 assignment used, low quality = 0.42: HG1 THR 17 - QG2 VAL 115 OK 42 100 - 42 - 2.8/7976=14, 3.0/7977=9...(10) Peak 8605 from cnoeabs.peaks (3.99, 1.27, 22.69 ppm; 4.31 A): 4 out of 5 assignments used, quality = 0.79: HA LEU 117 + QG2 THR 116 OK 61 99 - 62 - 3.0/5904=17, 8005=16...(12) HA ARG 81 + QG2 THR 116 OK 25 100 - 25 - 2.9/389=4, 1369/4.3=3...(8) HA THR 62 + QG2 THR 116 OK 19 100 - 19 - 1369/4.3=5, 8060/7986=3...(4) HA PHE 107 + QG2 THR 116 OK 11 96 - 11 - 1369/4.3=2, ~7809=2 HA ALA 14 - QG2 THR 116 lone 6 65 - 10 - 5951/4.1=2, 2.1/7992=2 Peak 8606 from cnoeabs.peaks (1.27, 2.86, 41.91 ppm; 3.97 A): 6 out of 12 assignments used, quality = 0.92: QG2 THR 116 + HE2 LYS 119 OK 53 100 - 53 - 8170=10, 8170/1.8=10...(15) QG2 THR 116 + HE3 LYS 119 OK 53 100 - 54 - 8170=10, 8170/1.8=10...(15) QG2 ILE 80 + HE3 LYS 119 OK 23 100 - 23 - 8457/4.9=3, 3.2/7427=3...(9) QG2 ILE 80 + HE2 LYS 119 OK 23 100 - 23 - 8457/4.9=3, 3.2/7427=3...(9) QD1 ILE 80 + HE3 LYS 119 OK 21 100 - 21 - 8457/4.9=3, 4.1/7427=3...(7) QD1 ILE 80 + HE2 LYS 119 OK 21 100 - 21 - 8457/4.9=3, 4.1/7427=3...(7) HG3 LYS 32 - HE2 LYS 119 OK 18 98 - 19 - 8457/4.9=2, 2531/3.0=2...(4) HG3 LYS 32 - HE3 LYS 119 OK 18 98 - 19 - 8457/4.9=2, 2531/3.0=2...(4) QG2 THR 19 - HE3 LYS 119 OK 10 96 - 11 - 6376/4.9=2, 8456/4.9=1 QG2 THR 19 - HE2 LYS 119 OK 10 96 - 11 - 6376/4.9=2, 8456/4.9=1 HG LEU 54 - HE3 LYS 119 lone 2 94 - 2 - HG LEU 54 - HE2 LYS 119 lone 2 95 - 2 - Peak 8608 from cnoeabs.peaks (0.76, 2.30, 31.75 ppm; 4.49 A): 3 out of 14 assignments used, quality = 0.96: QD1 LEU 91 + HB VAL 120 OK 74 90 - 81 - ~8369=17, 8372/2.1=16...(17) QD2 LEU 93 + HB VAL 120 OK 73 100 - 73 - ~8378=15, 7605/2.1=13...(21) HG LEU 111 + HB VAL 120 OK 46 98 - 47 - 8049/2.1=8, 8053/2.1=7...(15) QD2 LEU 111 - HB VAL 120 OK 30 65 - 46 - 4.7/5924=6, 8053/2.1=6...(15) QG2 ILE 63 - HB3 PRO 60 OK 25 61 - 41 - 4.0/7134=5, 3517/1.8=3...(25) QG2 ILE 63 - HB VAL 120 OK 17 100 - 17 - ~7149=4, 4.0/7134=4...(4) QD1 LEU 84 - HB VAL 120 OK 14 96 - 15 - 8049/2.1=2, 8053/2.1=2...(4) QD2 LEU 93 - HB3 PRO 60 lone 5 60 - 9 - QG2 VAL 66 - HB VAL 120 lone 5 95 - 5 - HG LEU 111 - HB3 PRO 60 lone 4 57 - 6 - QG2 VAL 66 - HB3 PRO 60 lone 2 53 - 4 - QD1 LEU 91 - HB3 PRO 60 lone 2 50 - 4 - QD1 LEU 84 - HB3 PRO 60 lone 2 55 - 3 - QD2 LEU 111 - HB3 PRO 60 lone 2 33 - 5 - Peak 8614 from cnoeabs.peaks (0.62, 1.22, 43.84 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.94: QG2 VAL 26 + HB3 LEU 24 OK 78 100 - 79 - 8214/3.1=26, 8216=19...(19) QG1 VAL 26 + HB3 LEU 24 OK 72 98 - 73 - 8224/3.1=19, 2.1/8216=16...(18) QD1 LEU 45 - HB3 LEU 24 OK 20 73 - 28 - 8615/1.8=3, 3.1/2212=3...(15) QD1 LEU 51 - HB3 LEU 24 lone 6 100 - 6 - Peak 8615 from cnoeabs.peaks (0.62, 1.51, 43.84 ppm; 3.81 A): 2 out of 8 assignments used, quality = 0.93: QG2 VAL 26 + HB2 LEU 24 OK 76 100 - 76 - 8214/3.1=26, 8216/1.8=18...(17) QG1 VAL 26 + HB2 LEU 24 OK 73 98 - 74 - 8224/3.1=19, 8614/1.8=15...(16) QD1 LEU 45 - HB2 LEU 24 OK 19 73 - 25 - 8614/1.8=4, 2915/3.0=3...(14) QG2 VAL 26 - HB3 LEU 58 OK 15 54 - 28 - 8506/3.0=5, 8212/3.1=4...(12) QG1 VAL 26 - HB3 LEU 58 OK 14 52 - 27 - 8226/3.1=3, ~8506=3...(12) QD1 LEU 51 - HB2 LEU 24 lone 6 100 - 5 - 8614/1.8=1 QD1 LEU 51 - HB3 LEU 58 lone 4 55 - 7 - 7053/3.9=1, 8506/3.0=1 QD1 LEU 45 - HB3 LEU 58 lone 3 34 - 9 - 8506/3.0=2, 7053/3.9=1, ~6840=1 Peak 8619 from cnoeabs.peaks (0.83, 1.65, 26.55 ppm; 4.15 A): 6 out of 8 assignments used, quality = 0.92: HG13 ILE 22 + HG LEU 27 OK 71 100 - 71 - 1.8/8485=10, ~8477=8...(24) QD1 LEU 59 + HG LEU 27 OK 35 99 - 35 - 2.1/2285=5, 8482/3.0=5...(16) QD2 LEU 55 + HG LEU 27 OK 23 93 - 25 - 8482/3.0=3, 8481/3.0=3...(10) QD1 LEU 93 + HG LEU 27 OK 21 100 - 21 - 8482/3.0=3, 8481/3.0=3...(6) QG1 VAL 115 + HG LEU 27 OK 18 100 - 18 - 8482/3.0=2, 5112/2.1=2...(7) QD2 LEU 91 + HG LEU 27 OK 13 87 - 15 - 8370/3.0=3, 8482/3.0=2...(6) HB2 ASN 118 - HG LEU 27 lone 7 96 - 7 - ~8021=2, 8482/3.0=1...(4) QD2 LEU 114 - HG LEU 27 lone 5 87 - 6 - 8481/3.0=1, 8482/3.0=1 Peak 8622 from cnoeabs.peaks (0.92, 7.22, 131.17 ppm; 4.46 A): 3 out of 22 assignments used, quality = 0.98: QD2 LEU 27 + QE PHE 40 OK 79 99 - 80 - 6535/2.2=25, 6534=22...(17) QD1 LEU 27 + QE PHE 40 OK 78 98 - 79 - 2.1/6534=19, 8411/2.2=18...(19) QD1 LEU 41 + QE PHE 40 OK 49 96 - 52 - ~6769=11, ~6765=8...(15) HB2 GLN 42 - QE PHE 40 OK 24 97 - 25 - 3.0/6772=3, 4.4/6781=3...(12) QD1 LEU 55 - QE PHE 40 OK 23 93 - 24 - ~7004=7, 7003/2.2=5...(6) QG2 ILE 22 - QE PHE 40 OK 22 99 - 22 - 3.0/4830=10, 4678/2.2=3...(4) QD1 ILE 63 - QE PHE 40 OK 19 83 - 23 - 7131/2.2=6, 7130=3...(7) QG2 VAL 115 - QE PHE 40 OK 15 99 - 15 - 7978/6350=3, 4678/2.2=2...(6) QD1 LEU 117 - QE PHE 40 OK 14 90 - 15 - ~7997=5, 8411/2.2=2...(6) QD2 LEU 27 - QE PHE 96 poor 9 36 - 25 - 6534=5, 4.0/6539=4...(7) QD1 LEU 27 - QE PHE 96 poor 9 35 - 24 - 4.0/6539=4, 2.1/6534=4...(7) QD1 LEU 117 - QE PHE 96 poor 6 30 - 19 - ~7998=10, ~7997=5...(4) QG2 ILE 22 - QE PHE 96 poor 5 36 - 14 - 3.0/6425=5, 3.2/6422=3, ~4730=1 QG2 VAL 49 - QE PHE 40 lone 4 98 - 4 - QD1 LEU 55 - QE PHE 96 poor 4 31 - 11 - 7003/2.2=3, ~4730=2...(4) QD1 LEU 126 - QE PHE 40 lone 3 89 - 3 - QD1 ILE 63 - QE PHE 96 lone 2 27 - 8 - 7150/4.4=1, ~4713=1, 7131/2.2=1 QD1 LEU 41 - QE PHE 96 lone 2 33 - 6 - QG2 VAL 115 - QE PHE 96 lone 1 36 - 4 - HB2 GLN 42 - QE PHE 96 lone 1 34 - 4 - QG2 VAL 49 - QE PHE 96 lone 1 35 - 3 - QD1 LEU 126 - QE PHE 96 lone 1 29 - 2 - Peak 8623 from cnoeabs.peaks (0.16, 7.22, 131.17 ppm; 4.92 A): 5 out of 8 assignments used, quality = 0.93: QD1 ILE 34 + QE PHE 40 OK 68 75 - 91 - ~4671=25, 6629/2.2=25...(20) QD2 LEU 51 + QE PHE 40 OK 51 99 - 51 - 6939=15, 2.1/6941=11...(11) QG1 VAL 110 + QE PHE 40 OK 29 79 - 37 - 7857/2.2=7, ~7860=5...(11) QD2 LEU 51 + QE PHE 96 OK 24 36 - 69 - 6940/2.2=25, ~6942=19...(12) QG1 VAL 110 + QE PHE 96 OK 23 25 - 92 - ~4715=33, ~4734=28...(20) QD2 LEU 84 - QE PHE 40 OK 22 79 - 28 - 7479/2.2=10, ~7476=5...(5) QD2 LEU 84 - QE PHE 96 OK 18 25 - 75 - 7478/2.2=18, 7477/6.5=13...(16) QD1 ILE 34 - QE PHE 96 poor 3 23 - 13 - 6629/2.2=3, 3107/6941=1...(4) Peak 8624 from cnoeabs.peaks (6.62, 1.46, 29.42 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.80: HE22 GLN 42 + HD2 LYS 46 OK 80 100 - 80 - 8625/1.8=37, 6794=17...(13) Peak 8625 from cnoeabs.peaks (6.63, 1.53, 29.42 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.78: HE22 GLN 42 + HD3 LYS 46 OK 78 100 - 78 - 8624/1.8=42, 2850/3.5=13...(11) Peak 8630 from cnoeabs.peaks (0.56, 1.63, 25.71 ppm; 4.13 A): 5 out of 8 assignments used, quality = 0.93: HG12 ILE 34 + HG LEU 51 OK 60 93 - 64 - 2614/2.1=12, ~2621=8...(19) QD2 LEU 45 + HG LEU 51 OK 58 97 - 59 - 6842/2.1=13, ~6841=13...(14) QG1 VAL 50 + HG LEU 51 OK 40 100 - 40 - 4.3/3088=12, 8426/3.7=9...(7) HG12 ILE 34 + HG3 ARG 85 OK 19 55 - 35 - 2610=4, 1.8/2617=4...(16) QD2 LEU 77 + HG LEU 51 OK 13 99 - 14 - 7345/3.0=3, 8426/3.7=3...(4) QD2 LEU 45 - HG3 ARG 85 lone 4 59 - 7 - QG1 VAL 50 - HG3 ARG 85 lone 3 64 - 5 - 4.3/1002=2 QD2 LEU 77 - HG3 ARG 85 lone 3 61 - 4 - 7350/3.0=1 Peak 8634 from cnoeabs.peaks (7.11, 1.83, 27.58 ppm; 4.58 A): 3 out of 10 assignments used, quality = 0.97: HE ARG 53 + HG3 ARG 53 OK 73 73 - 100 - 4.0=100 HE ARG 92 + HB3 ARG 92 OK 71 79 - 90 - 5.1=72, 1495/3.6=9...(15) H LEU 93 + HB3 ARG 92 OK 58 58 - 100 - 4.2=100 QD PHE 40 - HG3 ARG 53 OK 33 99 - 33 - 4.5/946=6, 2.5/8288=5...(9) HE ARG 92 - HG3 ARG 53 OK 28 99 - 28 - 5.9/8430=3, 5.1/4425=3...(15) H LEU 93 - HG3 ARG 53 OK 21 81 - 26 - 3.6/8430=6, 4.2/4425=4...(7) HE ARG 53 - HB3 ARG 92 OK 18 52 - 35 - 2.9/3160=5, 2.9/3159=4...(14) QD PHE 83 - HG3 ARG 53 lone 7 100 - 7 - QD PHE 40 - HB3 ARG 92 lone 4 78 - 6 - QD PHE 83 - HB3 ARG 92 lone 3 80 - 4 - Peak 8635 from cnoeabs.peaks (7.13, 1.61, 27.58 ppm; 5.38 A): 1 out of 8 assignments used, quality = 1.00: HE ARG 53 + HG2 ARG 53 OK 100 100 - 100 - 4.0=100 QD PHE 40 - HG2 ARG 53 OK 40 92 - 44 - 6958/3.0=10, 6957/3.0=9...(11) QD PHE 40 - HG LEU 101 OK 31 86 - 36 - 4670/2.1=7, ~7727=6...(13) HE ARG 53 - HG LEU 101 OK 25 97 - 26 - 2.9/3151=4, 2.9/3152=4...(9) HE ARG 92 - HG2 ARG 53 OK 22 63 - 35 - 2.9/3151=4, 2.9/3151=4...(16) QD PHE 83 - HG2 ARG 53 lone 7 81 - 9 - 6958/3.0=2, 6957/3.0=1 QD PHE 83 - HG LEU 101 lone 6 74 - 8 - ~7703=3, 4.6/5835=2 HE ARG 92 - HG LEU 101 lone 2 57 - 3 - Peak 8639 from cnoeabs.peaks (7.73, 4.06, 57.73 ppm; 4.37 A): 6 out of 7 assignments used, quality = 0.84: H LEU 58 + HA LEU 55 OK 55 99 - 55 - 8573=13, 4.6/6999=8...(13) H ASN 118 + HA LEU 55 OK 31 99 - 32 - 4.7/6999=5, 4.6/6077=4...(12) H LEU 126 + HA LEU 55 OK 17 100 - 17 - 8128/3.0=5, 7020/4.0=3...(5) H SER 90 + HA LEU 55 OK 16 99 - 16 - 7570/3.0=3, 7020/4.0=3...(5) H LEU 91 + HA LEU 55 OK 15 87 - 17 - 7020/4.0=2, 4.0/3222=2...(6) H LEU 111 + HA LEU 55 OK 11 60 - 19 - 3.8/7011=3, 1748=3...(7) HE21 GLN 103 - HA LEU 55 lone 7 85 - 8 - 7776/7351=1, 5.4/7772=1 Peak 8640 from cnoeabs.peaks (7.10, 1.88, 26.99 ppm; 4.66 A): 7 out of 10 assignments used, quality = 0.89: H LEU 93 + HG LEU 55 OK 52 99 - 52 - 7003/2.1=12, 7000/4.3=8...(14) HE ARG 92 + HG LEU 55 OK 32 99 - 32 - 7003/2.1=6, 7001/3.0=5...(11) QD PHE 83 + HG LEU 55 OK 28 93 - 30 - 7003/2.1=6, 7001/3.0=5...(7) QD PHE 40 + HG LEU 55 OK 28 83 - 33 - 6998/4.7=6, 7002/3.0=6...(9) H LEU 93 + HG3 PRO 68 OK 17 89 - 19 - 3.6/4416=4, 4.6/1224=3...(5) HZ PHE 96 + HG LEU 55 OK 14 83 - 16 - 7003/2.1=4, 4730/2.1=3...(5) HE ARG 92 + HG3 PRO 68 OK 11 90 - 12 - 5.9/4416=2, 5.1/4432=2...(7) HZ PHE 96 - HG3 PRO 68 lone 5 71 - 7 - 7.2/8296=3 QD PHE 40 - HG3 PRO 68 lone 3 71 - 5 - QD PHE 83 - HG3 PRO 68 lone 3 82 - 3 - Peak 8642 from cnoeabs.peaks (7.27, 1.47, 27.21 ppm; 5.20 A): 2 out of 7 assignments used, quality = 1.00: HE ARG 57 + HG3 ARG 57 OK 100 100 - 100 - 3.5=100 H VAL 26 + HG3 ARG 57 OK 51 85 - 60 - 4.0/7039=14, 4.0/8221=10...(14) QD PHE 96 - HG3 ARG 57 OK 45 100 - 45 - 4819/2.9=11, 7045/2.9=6...(10) QE PHE 96 - HG3 ARG 57 OK 34 76 - 44 - ~4819=8, 7045/2.9=6...(11) HD1 TRP 20 - HG3 ARG 57 OK 10 89 - 12 - 4629/7039=3, 4630/2233=3, 4627=1 HE ARG 71 - HG3 ARG 57 lone 5 93 - 5 - HZ PHE 40 - HG3 ARG 57 lone 2 71 - 3 - Peak 8643 from cnoeabs.peaks (7.25, 1.58, 27.21 ppm; 4.78 A): 2 out of 15 assignments used, quality = 0.99: HE ARG 57 + HG2 ARG 57 OK 98 98 - 100 - 3.5=100 H VAL 26 + HG2 ARG 57 OK 61 100 - 61 - 4.0/8220=13, 4.0/7040=11...(14) QE PHE 96 - HG2 ARG 57 OK 41 98 - 41 - ~4819=7, 7047/2.9=7...(12) QD PHE 96 - HG2 ARG 57 OK 33 87 - 38 - 4819/2.9=8, 7045/2.9=6...(10) H VAL 26 - HG LEU 126 OK 11 77 - 14 - 4.0/8220=2, ~5418=2...(5) HE ARG 57 - HG LEU 126 OK 11 74 - 15 - 2.9/3321=3, 8549=2...(6) HE ARG 71 - HG2 ARG 57 lone 4 100 - 4 - H VAL 26 - HG12 ILE 124 lone 3 54 - 6 - 6494/1.8=2 HE ARG 57 - HG12 ILE 124 lone 3 52 - 5 - 2.9/3321=1 QE PHE 96 - HG12 ILE 124 lone 3 52 - 5 - QE PHE 96 - HG LEU 126 lone 2 74 - 3 - QD PHE 96 - HG12 ILE 124 lone 2 42 - 5 - QD PHE 96 - HG LEU 126 lone 2 61 - 3 - HE ARG 71 - HG LEU 126 lone 1 78 - 1 - HE ARG 71 - HG12 ILE 124 lone 1 55 - 2 - Peak 8644 from cnoeabs.peaks (3.56, 0.88, 23.90 ppm; 4.24 A): 5 out of 12 assignments used, quality = 0.89: HD2 PRO 60 + QD2 LEU 59 OK 64 96 - 67 - 8307/4.0=26, 1.8/8645=18...(9) HA ASN 118 + QD1 LEU 117 OK 34 57 - 59 - 8022/2.1=9, ~599=8...(14) HA ASN 118 + QD2 LEU 59 OK 30 95 - 31 - 7072/4.6=6, 8023/2.1=5...(10) HA LEU 51 + QD2 LEU 59 OK 23 100 - 23 - 3069/2.1=3, 3.0/3428=3...(13) HD2 PRO 60 + QD1 LEU 117 OK 14 58 - 25 - 3.8/3425=5, 7091=5...(7) HA LEU 51 - QD1 LEU 117 poor 9 65 - 13 - 6054/2.1=5, ~223=3, 8424/6985=2 HA GLU 75 - QD1 LEU 117 poor 5 42 - 12 - 3950/2.1=2, 3950/3.1=2...(6) HA2 GLY 48 - QD2 LEU 59 lone 5 83 - 6 - 1.8/6892=1 HB2 ASP 47 - QD2 LEU 59 lone 3 81 - 4 - HB2 ASP 47 - QD1 LEU 117 lone 2 46 - 5 - 6872/7264=1 HA2 GLY 48 - QD1 LEU 117 lone 2 47 - 4 - 3.6/991=2 HA GLU 75 - QD2 LEU 59 lone 1 76 - 1 - Peak 8645 from cnoeabs.peaks (3.33, 0.88, 23.90 ppm; 4.90 A): 3 out of 8 assignments used, quality = 0.81: HD3 PRO 60 + QD2 LEU 59 OK 73 97 - 75 - 8308/4.0=33, 7073/4.6=20...(10) HD3 ARG 85 + QD2 LEU 59 OK 16 100 - 16 - 7073/4.6=4, 7075/4.0=4...(4) HD3 PRO 60 + QD1 LEU 117 OK 15 60 - 25 - 3.8/3425=6, 1.8/7091=5...(6) HD2 ARG 57 - QD2 LEU 59 lone 7 95 - 8 - 7073/4.6=3, 7075/4.0=2 HB3 PHE 40 - QD2 LEU 59 lone 6 78 - 8 - 7073/4.6=1, 4.7/947=1...(4) HB3 PHE 40 - QD1 LEU 117 lone 2 44 - 5 - ~4666=1 HD2 ARG 57 - QD1 LEU 117 lone 2 57 - 3 - HD3 ARG 85 - QD1 LEU 117 lone 2 64 - 3 - Peak 8646 from cnoeabs.peaks (2.85, 0.94, 10.87 ppm; 5.13 A): 5 out of 10 assignments used, quality = 0.96: HG CYS 52 + QD1 ILE 63 OK 69 100 - 69 - 3.4/7147=23, ~7142=13...(11) HB3 TYR 67 + QD1 ILE 63 OK 47 99 - 47 - 2.6/7130=9, 3.8/7208=6...(12) HB2 TYR 67 + QD1 ILE 63 OK 47 99 - 47 - 2.6/7130=9, 3.8/7208=6...(12) HB2 ASN 79 + QD1 ILE 63 OK 36 100 - 37 - 3.5/7127=9, 3.0/7153=7...(8) HB3 PHE 107 + QD1 ILE 63 OK 35 100 - 36 - 2.4/7130=7, 1.8/7151=5...(10) HE3 LYS 119 - QD1 ILE 63 OK 13 92 - 14 - 8650/3.2=2, 7.3/7129=2...(5) HE2 LYS 119 - QD1 ILE 63 OK 13 90 - 14 - 8650/3.2=2, 7.3/7129=2...(5) HB2 ASN 99 - QD1 ILE 63 OK 10 99 - 10 - 3.0/7153=1, 3.5/7128=1 HB2 CYS 76 - QD1 ILE 63 lone 6 63 - 10 - 4.0/7129=2, 1.8/7151=1 HB2 ASP 36 - QD1 ILE 63 lone 6 99 - 5 - Peak 8647 from cnoeabs.peaks (3.20, 0.94, 10.87 ppm; 5.11 A): 4 out of 7 assignments used, quality = 0.94: HD2 ARG 81 + QD1 ILE 63 OK 68 100 - 68 - 1.8/7151=7, 2.9/7130=6...(36) HD2 ARG 53 + QD1 ILE 63 OK 55 71 - 78 - 3.6/8310=13, 3.6/8309=11...(24) HB3 PHE 83 + QD1 ILE 63 OK 52 99 - 53 - 4.0/7128=15, 3.0/8355=12...(10) HA GLN 42 + QD1 ILE 63 OK 15 96 - 16 - ~172=3, 3.0/174=2 HD3 ARG 71 - QD1 ILE 63 lone 9 92 - 10 - 3.6/8310=1, 3.0/8310=1 HB3 TRP 20 - QD1 ILE 63 lone 7 76 - 9 - 4.5/6400=3 HD2 ARG 71 - QD1 ILE 63 lone 7 83 - 8 - 3.6/8310=1, 3.0/8310=1 Peak 8648 from cnoeabs.peaks (2.52, 0.94, 10.87 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.82: HG2 GLU 82 + QD1 ILE 63 OK 78 99 - 79 - 1.8/7150=26, 8649/3.2=19...(16) HG3 GLN 103 + QD1 ILE 63 OK 17 100 - 17 - 8649/3.2=5, 7136/4.2=2...(6) HE3 LYS 46 - QD1 ILE 63 lone 7 92 - 7 - 8649/3.2=2 HB3 ASP 36 - QD1 ILE 63 lone 2 71 - 2 - Peak 8649 from cnoeabs.peaks (2.52, 0.76, 17.61 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.88: HG2 GLU 82 + QG2 ILE 63 OK 84 100 - 84 - 1.8/7143=29, 7453=22...(17) HG3 GLN 103 + QG2 ILE 63 OK 21 100 - 21 - 8648/3.2=5, 7155/4.3=4...(6) HE3 LYS 46 - QG2 ILE 63 lone 7 85 - 8 - 8648/3.2=2, 7155/4.3=1 HB3 ASP 36 - QG2 ILE 63 lone 1 60 - 2 - Peak 8650 from cnoeabs.peaks (2.85, 0.76, 17.61 ppm; 4.98 A): 4 out of 10 assignments used, quality = 0.94: HG CYS 52 + QG2 ILE 63 OK 65 100 - 66 - 3.4/7142=27, 3.4/6952=14...(12) HB3 TYR 67 + QG2 ILE 63 OK 48 99 - 49 - 2.6/7125=10, 3.8/319=7...(14) HB2 TYR 67 + QG2 ILE 63 OK 48 99 - 49 - 2.6/7125=10, 3.8/319=7...(14) HB3 PHE 107 + QG2 ILE 63 OK 36 100 - 36 - 2.4/7125=7, 1.8/7144=5...(11) HB2 ASN 79 - QG2 ILE 63 OK 27 100 - 27 - ~7127=4, 8646/3.2=4...(9) HE3 LYS 119 - QG2 ILE 63 OK 14 92 - 15 - 8646/3.2=1, 7.3/7124=1...(6) HE2 LYS 119 - QG2 ILE 63 OK 13 90 - 15 - 7.3/7124=1, 8646/3.2=1...(6) HB2 ASN 99 - QG2 ILE 63 lone 8 99 - 8 - 8646/3.2=1, 4.1/7673=1 HB2 CYS 76 - QG2 ILE 63 lone 6 63 - 9 - 1.8/7144=1, 4.0/7124=1, ~7326=1 HB2 ASP 36 - QG2 ILE 63 lone 4 99 - 4 - Peak 8652 from cnoeabs.peaks (6.79, 2.70, 41.75 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.86: QE TYR 67 + HE3 LYS 65 OK 80 100 - 80 - 7217=32, 4696/1.8=31...(14) H VAL 110 + HE3 LYS 65 OK 20 100 - 20 - 8653/1.8=4, 555/5.0=3...(6) HH2 TRP 20 + HE3 LYS 65 OK 13 100 - 13 - 8653/1.8=3, 4662/3.8=2...(5) HE21 GLN 42 - HE3 LYS 65 poor 7 60 - 11 - 8653/1.8=2, 6789/3.8=1...(5) Peak 8653 from cnoeabs.peaks (6.79, 2.56, 41.75 ppm; 4.42 A): 6 out of 10 assignments used, quality = 0.92: QE TYR 67 + HE2 LYS 65 OK 80 100 - 80 - 4696=36, 7217/1.8=30...(13) HE21 GLN 42 + HE3 LYS 46 OK 21 42 - 51 - ~8624=19, ~8625=18...(8) H VAL 110 + HE2 LYS 65 OK 20 100 - 20 - 8652/1.8=6, 555/5.0=3...(6) QE TYR 67 + HE3 LYS 46 OK 17 69 - 24 - 4696=9, ~8581=3...(8) HH2 TRP 20 + HE2 LYS 65 OK 13 100 - 13 - 8652/1.8=4, 4662/3.8=2...(5) HH2 TRP 20 + HE3 LYS 46 OK 10 69 - 15 - ~8583=3, ~8576=3...(6) H VAL 110 - HE3 LYS 46 poor 9 69 - 13 - 555/3.0=4, 3.6/8274=2...(4) HE21 GLN 42 - HE2 LYS 65 poor 9 71 - 12 - 8652/1.8=2, 6789/3.8=2...(7) HD22 ASN 99 - HE2 LYS 65 lone 3 65 - 5 - HD22 ASN 99 - HE3 LYS 46 lone 1 38 - 1 - Peak 8654 from cnoeabs.peaks (2.45, 1.75, 35.64 ppm; 5.19 A): 2 out of 3 assignments used, quality = 0.95: HB2 CYS 52 + HB VAL 66 OK 93 100 - 93 - 7191/2.1=38, 7182/2.1=36...(17) HB3 CYS 87 + HB VAL 66 OK 22 96 - 22 - 7182/2.1=7, 7191/2.1=6...(5) HG3 MET 11 - HB VAL 66 lone 5 76 - 6 - 7191/2.1=2, 7182/2.1=2 Peak 8656 from cnoeabs.peaks (7.25, 1.76, 26.46 ppm; 5.05 A): 2 out of 18 assignments used, quality = 1.00: HE ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 3.6=100 HE ARG 71 + HG2 ARG 71 OK 94 94 - 100 - 3.6=100 HE ARG 71 - HG3 PRO 30 OK 20 73 - 28 - ~3888=4, ~3880=4...(12) QE PHE 96 - HG3 PRO 30 OK 11 70 - 15 - ~6587=3, ~6593=3...(5) H VAL 26 - HG3 ARG 71 OK 10 100 - 10 - ~8690=2, 4.0/8219=1...(4) H VAL 26 - HG2 ARG 71 poor 10 94 - 10 - ~8690=2, 4.0/8219=2...(4) QD PHE 96 - HG3 PRO 30 poor 8 55 - 15 - ~6605=4, 2.4/7636=3...(5) QD TYR 102 - HG3 PRO 30 poor 7 35 - 21 - ~4749=4, ~7758=3...(7) QD PHE 96 - HG3 ARG 71 lone 7 85 - 8 - 2.4/7636=1 QE PHE 96 - HG3 ARG 71 lone 6 99 - 6 - QD PHE 96 - HG2 ARG 71 lone 6 76 - 8 - QE PHE 96 - HG2 ARG 71 lone 5 91 - 6 - QD TYR 102 - HG3 ARG 71 lone 4 57 - 7 - H VAL 26 - HG3 PRO 30 lone 4 72 - 5 - QD TYR 102 - HG2 ARG 71 lone 3 50 - 7 - HE ARG 57 - HG3 ARG 71 lone 2 97 - 2 - HE ARG 57 - HG2 ARG 71 lone 2 90 - 2 - HE ARG 57 - HG3 PRO 30 lone 1 68 - 2 - Peak 8658 from cnoeabs.peaks (9.07, 4.17, 62.18 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.59: H ARG 81 + HA SER 78 OK 59 97 - 61 - 1664/3.6=29, 7437=18...(11) H ARG 81 - HA ILE 124 poor 9 57 - 16 - 4.4/7410=2, 4.4/7450=2...(6) H ARG 71 - HA SER 78 lone 2 81 - 2 - H ARG 71 - HA ILE 124 lone 1 43 - 3 - Peak 8661 from cnoeabs.peaks (7.97, 3.72, 47.05 ppm; 4.86 A): 5 out of 7 assignments used, quality = 0.85: H ALA 89 + HA3 GLY 86 OK 65 98 - 67 - 1714=15, 2.9/7561=15...(9) H ARG 92 + HA3 GLY 86 OK 25 100 - 25 - 1704/3.6=7, 4.2/7512=5...(8) H LEU 114 + HA3 GLY 86 OK 24 99 - 24 - 1712/3.6=6, 7516/3.0=5...(5) H THR 17 + HA3 GLY 86 OK 13 63 - 20 - 3.0/5967=7, 4.0/8459=5...(5) HE ARG 85 + HA3 GLY 86 OK 12 90 - 14 - 7516/3.0=9, 1704/3.6=3 H VAL 66 - HA3 GLY 86 lone 8 100 - 8 - 1704/3.6=2, 7516/3.0=1 H SER 44 - HA3 GLY 86 lone 5 87 - 6 - 1704/3.6=3 Peak 8662 from cnoeabs.peaks (7.84, 1.42, 18.97 ppm; 4.49 A): 5 out of 15 assignments used, quality = 0.92: HD21 ASN 99 + QB ALA 98 OK 58 89 - 65 - 671/3.5=22, ~677=15...(11) H GLY 88 + QB ALA 89 OK 51 54 - 93 - 4.8=80, 433/2.9=23...(13) H PHE 83 + QB ALA 98 OK 36 100 - 36 - 1681/7659=6, 4.0/8361=4...(14) H ASN 79 + QB ALA 98 OK 31 99 - 32 - 1664/7659=6, 1265/3.5=5...(8) H PHE 83 + QB ALA 89 OK 11 66 - 16 - 433/2.9=2, 1718/3.6=2...(4) H GLY 88 - QB ALA 98 lone 7 90 - 8 - 7550=2 H ASN 79 - QB ALA 89 poor 7 65 - 11 - 4.7/7406=3, 1664/7659=2 H GLY 25 - QB ALA 98 lone 6 65 - 10 - 4.6/6495=2, 1265/3.5=2 H ASN 79 - QB ALA 122 lone 3 56 - 5 - H PHE 83 - QB ALA 122 lone 3 58 - 4 - H GLY 88 - QB ALA 122 lone 2 47 - 4 - HD21 ASN 99 - QB ALA 89 lone 2 53 - 3 - H GLY 25 - QB ALA 89 lone 1 36 - 4 - HD21 ASN 99 - QB ALA 122 lone 1 46 - 3 - H GLY 25 - QB ALA 122 lone 1 31 - 2 - Peak 8674 from cnoeabs.peaks (7.82, 2.08, 29.98 ppm; 4.88 A): 4 out of 10 assignments used, quality = 0.67: HD21 ASN 106 + HB2 GLN 105 OK 47 98 - 48 - 7793=19, 1.7/7797=15...(4) H ASN 79 + HB2 GLN 105 OK 18 85 - 22 - 1662/3.0=4, 5.6/4770=4...(8) HD21 ASN 99 + HB2 GLN 105 OK 16 99 - 16 - ~8533=7, ~8448=4, ~7785=3 H ASN 79 + HB3 ARG 81 OK 11 28 - 39 - 1664/4.0=24, 1485/4.3=8...(4) H PHE 83 - HB3 ARG 81 poor 9 20 - 46 - 1681/4.0=18, 398/4.3=14...(7) H GLY 25 - HB2 GLN 105 lone 6 100 - 6 - 83/4.0=2, 4.7/4770=1 HD21 ASN 106 - HB3 ARG 81 lone 3 36 - 7 - 7793=2, 1.7/7797=2 H PHE 83 - HB2 GLN 105 lone 2 65 - 3 - HD21 ASN 99 - HB3 ARG 81 lone 2 36 - 4 - 1485/4.3=1, 7430/4.0=1 H GLY 25 - HB3 ARG 81 lone 1 38 - 3 - Peak 8684 from cnoeabs.peaks (1.93, 4.14, 58.43 ppm; 4.25 A): 3 out of 19 assignments used, quality = 0.97: HB3 GLU 64 + HA ILE 63 OK 76 98 - 78 - 4.0/5663=32, 4.6/7122=9...(29) HB2 GLU 64 + HA ILE 63 OK 75 97 - 78 - 4.0/5663=32, 4.6/7122=9...(29) HB2 ARG 81 + HA ILE 63 OK 49 87 - 57 - 4.3/3498=7, 5746/3.0=5...(27) HB2 GLU 38 - HA ILE 63 OK 25 92 - 28 - 7139/3.2=3, 1.8/3500=3...(13) HB2 LEU 84 - HA ILE 63 OK 16 76 - 21 - 3.1/3501=4, 3.1/7491=2...(9) HB ILE 80 - HA ILE 63 OK 16 100 - 16 - 2.1/7410=2, ~6125=2...(6) HB ILE 22 - HA ILE 63 OK 13 89 - 14 - 2.1/3504=3, ~1072=1...(6) HB2 LEU 21 - HA ILE 63 OK 12 100 - 12 - 7139/3.2=1, 2109/3.0=1...(4) HB3 GLU 69 - HA ILE 63 OK 12 89 - 13 - 3773/3.7=2, 7139/3.2=1...(4) HB2 GLU 28 - HA ILE 63 poor 9 78 - 11 - 3.0/7135=1, 3.0/7135=1 HB3 GLU 73 - HA ILE 63 lone 8 92 - 9 - 5746/3.0=1 HB2 ARG 85 - HA ILE 63 lone 8 81 - 9 - 4.7/1697=2, 6715/4.2=1 HB3 ARG 85 - HA ILE 63 lone 8 81 - 9 - 4.7/1697=2, 6715/4.2=1 HG LEU 58 - HA ILE 63 lone 7 99 - 7 - 1076/3.6=2, 5.0/264=1 HB3 GLU 94 - HA ILE 63 lone 6 65 - 9 - 1075/3.6=2, ~7145=1, 7139/3.2=1 HB3 PRO 30 - HA ILE 63 lone 6 81 - 7 - HB2 LYS 109 - HA ILE 63 lone 5 97 - 6 - HB3 LYS 119 - HA ILE 63 lone 5 89 - 5 - HB3 MET 11 - HA ILE 63 lone 2 97 - 2 - Peak 8685 from cnoeabs.peaks (6.80, 1.44, 28.56 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.96: QE TYR 67 + HD2 LYS 65 OK 79 93 - 85 - 7217/3.0=28, 4696/3.0=26...(20) QE TYR 67 + HD3 LYS 65 OK 79 93 - 85 - 7217/3.0=28, 4696/3.0=26...(20) H VAL 110 - HD2 LYS 65 OK 21 95 - 23 - 8652/3.0=6, 555/3.8=5...(5) H VAL 110 - HD3 LYS 65 OK 21 95 - 23 - 8652/3.0=6, 555/3.8=5...(5) HH2 TRP 20 - HD3 LYS 65 OK 17 98 - 17 - 8652/3.0=4, 4662/2.9=3...(6) HH2 TRP 20 - HD2 LYS 65 OK 17 98 - 17 - 8652/3.0=4, 4662/2.9=3...(6) Peak 8686 from cnoeabs.peaks (4.57, 1.27, 14.08 ppm; 5.05 A): 5 out of 9 assignments used, quality = 0.94: HA ASN 99 + QD1 ILE 80 OK 57 97 - 59 - 6180/7414=11...(17) HA ASN 79 + QD1 ILE 80 OK 53 83 - 64 - 3.5/4097=21, ~7369=14...(12) HA GLU 69 + QD1 ILE 80 OK 39 96 - 41 - 4.0/4101=5, 3763/2.1=4...(17) HA GLU 82 + QD1 ILE 80 OK 32 78 - 41 - 3.6/7464=11, 378/4.9=5...(11) HA LEU 45 + QD1 ILE 80 OK 27 65 - 41 - 4.0/8344=13, 3.6/7399=10...(5) HA THR 95 - QD1 ILE 80 OK 25 87 - 28 - 7617/4711=4, 4542/4.9=4...(11) HA ASP 47 - QD1 ILE 80 OK 23 95 - 25 - 3.6/7395=14, 3763/2.1=2, ~7428=2 HB THR 121 - QD1 ILE 80 OK 12 99 - 12 - 8119/4102=1, 8749/7063=1 HA TRP 20 - QD1 ILE 80 poor 8 60 - 14 - 3.0/54=4, 7.2/7399=2, ~54=2 Peak 8689 from cnoeabs.peaks (3.09, 4.22, 60.97 ppm; 4.43 A): 5 out of 12 assignments used, quality = 0.85: HD3 ARG 53 + HA VAL 26 OK 70 100 - 70 - 1.8/8690=22, 6972/3.2=19...(13) HD3 ARG 53 + HA SER 13 OK 24 99 - 24 - 1.8/8690=7, 8429=4...(5) HB3 CYS 52 + HA VAL 26 OK 19 76 - 25 - 4.4/232=5, 3118=4...(9) HB2 PHE 107 + HA SER 13 OK 11 85 - 13 - 5859/3.6=6, 4828/4.9=4 HB2 PHE 107 + HA VAL 26 OK 10 87 - 12 - ~4810=4, 5.8/5495=2 HB3 CYS 76 - HA SER 13 poor 8 79 - 10 - 5726/2.9=2, ~5725=2...(4) HB3 CYS 52 - HA SER 13 lone 7 74 - 9 - 4.4/232=2, 3118=1, 1.8/3114=1 HB3 CYS 76 - HA VAL 26 lone 4 81 - 4 - HB3 HIS 10 - HA VAL 26 lone 3 99 - 3 - HB3 ASP 100 - HA SER 13 lone 3 74 - 5 - ~18=2 HB3 ASP 100 - HA VAL 26 lone 3 76 - 4 - HB3 HIS 10 - HA SER 13 lone 2 97 - 2 - Peak 8690 from cnoeabs.peaks (3.18, 4.22, 60.97 ppm; 4.37 A): 4 out of 12 assignments used, quality = 0.83: HD2 ARG 53 + HA VAL 26 OK 72 100 - 72 - 1.8/8689=16, 6969/3.2=13...(15) HD2 ARG 53 + HA SER 13 OK 22 99 - 22 - 1.8/8689=6, 8428=4...(5) HD3 ARG 71 + HA VAL 26 OK 13 97 - 13 - 2.9/2242=1, 8559/3.0=1...(4) HD2 ARG 81 + HA VAL 26 OK 11 71 - 15 - ~6507=2, 6969/3.2=2...(6) HD3 ARG 71 - HA SER 13 lone 3 96 - 3 - HB2 HIS 10 - HA VAL 26 lone 2 73 - 3 - HD2 ARG 81 - HA SER 13 lone 2 69 - 3 - HD3 ARG 92 - HA VAL 26 lone 2 65 - 2 - HD2 ARG 92 - HA VAL 26 lone 1 63 - 2 - HB2 HIS 10 - HA SER 13 lone 1 72 - 2 - HD3 ARG 92 - HA SER 13 lone 1 64 - 1 - HD2 ARG 92 - HA SER 13 lone 1 61 - 1 - Peak 8691 from cnoeabs.peaks (1.73, 4.21, 60.93 ppm; 4.87 A): 4 out of 22 assignments used, quality = 0.91: HB2 ARG 53 + HA VAL 26 OK 79 94 - 84 - 3.6/8690=18, 6964/3.2=17...(18) HB2 ARG 53 + HA SER 13 OK 29 96 - 31 - 3.6/8690=6, 3.6/8689=5...(12) HB3 LEU 55 + HA VAL 26 OK 24 94 - 25 - 4.0/1630=6, 8219/3.2=3...(7) HB2 LEU 45 + HA VAL 26 OK 17 72 - 23 - 8219/3.2=4, 2890/3.2=3...(10) HB VAL 66 - HA VAL 26 OK 15 85 - 18 - 2.1/3671=2, 8219/3.2=2...(5) HG2 ARG 71 - HA VAL 26 OK 14 92 - 15 - 3.0/8690=4, 8219/3.2=2...(5) HB2 LEU 91 - HA SER 13 OK 13 100 - 13 - 7584/3.0=2, ~6290=2...(7) HB2 LYS 31 - HA SER 13 OK 12 100 - 12 - 2405/2.9=2, ~2415=2...(5) HB3 ARG 71 - HA VAL 26 OK 11 99 - 11 - 3.6/8690=3, 3861/8690=1...(4) HB3 LEU 55 - HA SER 13 OK 11 96 - 12 - 4.0/1630=2, 6062=2, 1.8/6060=1 HB3 LEU 77 - HA VAL 26 OK 10 83 - 13 - ~8216=2, ~6494=2, 6062=2 HB VAL 66 - HA SER 13 poor 10 87 - 11 - ~6290=2, 2.1/3676=1...(4) HG3 ARG 71 - HA VAL 26 poor 10 64 - 15 - 3.0/8690=4, 3.6/2242=1...(5) HB3 LEU 77 - HA SER 13 lone 8 85 - 9 - 6062=1, ~4018=1 HB2 LEU 91 - HA VAL 26 lone 8 99 - 8 - 8219/3.2=1, ~6495=1 HB2 LYS 31 - HA VAL 26 lone 7 99 - 7 - HB3 LYS 46 - HA VAL 26 lone 6 76 - 8 - 8219/3.2=1, ~6496=1 HB3 ARG 71 - HA SER 13 lone 4 100 - 4 - HG2 ARG 71 - HA SER 13 lone 4 93 - 4 - HG3 ARG 71 - HA SER 13 lone 3 65 - 4 - HB3 LYS 46 - HA SER 13 lone 2 78 - 3 - HB2 LEU 45 - HA SER 13 lone 2 73 - 2 - Peak 8704 from cnoeabs.peaks (7.09, 3.15, 42.96 ppm; 4.63 A): 4 out of 15 assignments used, quality = 1.00: HE ARG 92 + HD2 ARG 92 OK 96 96 - 100 - 2.9=100 HE ARG 92 + HD3 ARG 92 OK 96 96 - 100 - 2.9=100 H LEU 93 + HD2 ARG 92 OK 58 100 - 58 - 451/5.0=21, 453/3.5=16...(8) H LEU 93 + HD3 ARG 92 OK 58 100 - 58 - 451/5.0=21, 453/3.5=16...(8) HE ARG 92 - HD3 ARG 81 poor 7 46 - 15 - 8703=2 QD PHE 83 - HD3 ARG 81 poor 7 38 - 18 - ~4200=5, ~4118=3...(7) HZ PHE 96 - HD2 ARG 92 lone 5 92 - 5 - 1495/6.1=2 HZ PHE 96 - HD3 ARG 92 lone 5 92 - 5 - 1495/6.1=2 QD PHE 83 - HD3 ARG 92 lone 5 85 - 5 - ~4203=1, ~4210=1 QD PHE 83 - HD2 ARG 92 lone 5 85 - 5 - ~4203=1, ~4210=1 QD PHE 40 - HD2 ARG 92 lone 4 71 - 5 - QD PHE 40 - HD3 ARG 92 lone 4 71 - 5 - H LEU 93 - HD3 ARG 81 lone 3 51 - 7 - 3.6/4420=2, 4.2/4428=1 HZ PHE 96 - HD3 ARG 81 lone 2 43 - 4 - QD PHE 40 - HD3 ARG 81 lone 1 30 - 3 - Peak 8705 from cnoeabs.peaks (7.09, 1.51, 26.76 ppm; 4.27 A): 4 out of 15 assignments used, quality = 1.00: HE ARG 92 + HG2 ARG 92 OK 90 90 - 100 - 4.0=100 HE ARG 92 + HG3 ARG 92 OK 90 90 - 100 - 4.0=100 H LEU 93 + HG3 ARG 92 OK 67 100 - 67 - 451/3.9=25, 453/3.0=16...(10) H LEU 93 + HG2 ARG 92 OK 66 100 - 67 - 451/3.9=25, 453/3.0=16...(10) H LEU 93 - HG LEU 91 OK 33 43 - 76 - 7589/2.1=14, 7582/3.0=13...(19) HZ PHE 96 - HG LEU 91 OK 13 39 - 33 - 7582/3.0=7, 7589/2.1=6...(8) HE ARG 92 - HG LEU 91 poor 9 35 - 26 - 7589/2.1=6, 7581/3.0=5...(7) HZ PHE 96 - HG3 ARG 92 lone 6 96 - 7 - 1495/4.9=2 HZ PHE 96 - HG2 ARG 92 lone 6 97 - 6 - 1495/4.9=2 QD PHE 83 - HG3 ARG 92 lone 2 76 - 3 - QD PHE 83 - HG2 ARG 92 lone 2 76 - 3 - QD PHE 40 - HG3 ARG 92 lone 2 60 - 3 - QD PHE 40 - HG2 ARG 92 lone 2 60 - 3 - QD PHE 83 - HG LEU 91 lone 2 27 - 6 - 7589/2.1=1, 7581/3.0=1 QD PHE 40 - HG LEU 91 lone 1 20 - 7 - ~4830=2, 7589/2.1=1, 7581/3.0=1 Peak 8706 from cnoeabs.peaks (2.98, 3.81, 63.22 ppm; 4.72 A): 0 out of 12 assignments used, low quality = 0.00: HE2 LYS 31 - HB3 SER 29 lone 6 99 - 6 - 3.0/8185=1, 3.0/8185=1 HE3 LYS 31 - HB3 SER 29 lone 6 99 - 6 - 3.0/8185=1, 3.0/8185=1 HE3 LYS 31 - HB2 SER 29 lone 6 99 - 6 - 3.0/8185=1, 3.0/8185=1 HE2 LYS 31 - HB2 SER 29 lone 6 99 - 6 - 3.0/8185=1, 3.0/8185=1 HA VAL 110 - HB3 SER 29 lone 4 99 - 4 - 3.2/8186=1 HA VAL 110 - HB2 SER 29 lone 4 99 - 4 - 3.2/8186=1 HB2 ASN 12 - HB3 SER 29 lone 1 99 - 1 - HB2 ASN 12 - HB2 SER 29 lone 1 99 - 1 - HB3 TYR 102 - HB3 SER 29 lone 1 81 - 1 - HB3 TYR 102 - HB2 SER 29 lone 1 81 - 1 - HG3 GLU 82 - HB3 SER 29 lone 1 60 - 1 - HG3 GLU 82 - HB2 SER 29 lone 1 60 - 1 - Peak 8716 from cnoeabs.peaks (0.92, 2.66, 40.70 ppm; 5.09 A): 3 out of 11 assignments used, quality = 0.63: QD2 LEU 27 + HB3 ASP 123 OK 35 100 - 36 - 8717/1.8=11, 3.1/8103=8...(5) QD1 LEU 27 + HB3 ASP 123 OK 35 100 - 35 - 8717/1.8=11, 3.1/8103=8...(5) QD1 LEU 126 + HB3 ASP 123 OK 13 92 - 14 - 2.1/8105=4, 8717/1.8=3...(5) QD1 LEU 55 - HB3 ASP 123 lone 9 96 - 10 - 8717/1.8=3, 8099/4.0=3 QD1 ILE 63 - HB3 ASP 123 lone 8 87 - 10 - 8717/1.8=3, 2.1/8105=3...(4) QD1 LEU 41 - HB3 ASP 123 lone 8 98 - 8 - 8717/1.8=2, 8099/4.0=2 QG2 VAL 115 - HB3 ASP 123 lone 7 100 - 7 - 8717/1.8=2, 8099/4.0=2 QD1 LEU 117 - HB3 ASP 123 lone 7 93 - 7 - 8099/4.0=2, 8717/1.8=2 QG2 ILE 22 - HB3 ASP 123 lone 6 100 - 6 - 8717/1.8=2, 8099/4.0=2 HB2 GLN 42 - HB3 ASP 123 lone 6 99 - 6 - 8717/1.8=2, 8099/4.0=1 QG2 VAL 49 - HB3 ASP 123 lone 5 100 - 5 - 8717/1.8=2, 8099/4.0=1 Peak 8717 from cnoeabs.peaks (0.92, 2.75, 40.70 ppm; 4.97 A): 2 out of 11 assignments used, quality = 0.55: QD2 LEU 27 + HB2 ASP 123 OK 33 100 - 34 - 8716/1.8=10, 3.1/8101=8...(5) QD1 LEU 27 + HB2 ASP 123 OK 33 100 - 33 - 8716/1.8=10, 3.1/8101=8...(5) QD1 LEU 126 - HB2 ASP 123 lone 9 92 - 9 - 8716/1.8=4, ~8105=3, 8099/4.0=2 QD1 LEU 55 - HB2 ASP 123 lone 9 96 - 9 - 8716/1.8=3, 8099/4.0=2 QD1 ILE 63 - HB2 ASP 123 lone 8 87 - 9 - 8716/1.8=2, ~8105=2...(4) QD1 LEU 41 - HB2 ASP 123 lone 7 98 - 7 - 8716/1.8=2, 8099/4.0=2 QD1 LEU 117 - HB2 ASP 123 lone 6 93 - 7 - 8099/4.0=2, 8716/1.8=2 QG2 VAL 115 - HB2 ASP 123 lone 6 100 - 6 - 8716/1.8=2, 8099/4.0=2 QG2 ILE 22 - HB2 ASP 123 lone 5 100 - 5 - 8099/4.0=2, 8716/1.8=2 HB2 GLN 42 - HB2 ASP 123 lone 5 99 - 5 - 8716/1.8=2, 8099/4.0=1 QG2 VAL 49 - HB2 ASP 123 lone 5 100 - 5 - 8716/1.8=1, 8099/4.0=1 Peak 8721 from cnoeabs.peaks (7.20, 2.70, 41.75 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.95: QD TYR 67 + HE3 LYS 65 OK 86 99 - 87 - 2.2/7217=36, ~4696=25...(16) H LYS 65 + HE3 LYS 65 OK 64 83 - 78 - 7.3=33, 4.9/3655=13...(13) QD PHE 107 - HE3 LYS 65 OK 22 99 - 22 - 7827/3.8=4, 7827/3.8=4...(5) QD TYR 102 - HE3 LYS 65 OK 17 60 - 29 - ~7751=3, ~4754=3...(12) QE PHE 40 - HE3 LYS 65 lone 5 68 - 8 - 4680/3.8=1, 4680/3.8=1 HE ARG 81 - HE3 LYS 65 lone 2 96 - 2 - Peak 8723 from cnoeabs.peaks (7.20, 2.56, 41.75 ppm; 4.71 A): 2 out of 12 assignments used, quality = 0.94: QD TYR 67 + HE2 LYS 65 OK 84 99 - 85 - 2.2/4696=30, ~7217=24...(16) H LYS 65 + HE2 LYS 65 OK 60 83 - 73 - 7.3=27, 8721/1.8=12...(14) QD TYR 102 - HE3 LYS 46 OK 27 35 - 78 - ~4753=17, ~7750=14...(18) H LYS 65 - HE3 LYS 46 OK 23 51 - 45 - 1082/3.0=5, 4.0/8758=4...(20) QD PHE 107 - HE2 LYS 65 OK 19 99 - 19 - 8721/1.8=4, 4807/3.8=4...(5) QD TYR 67 - HE3 LYS 46 OK 15 68 - 22 - 2.2/4696=8, 4689/3.0=2...(7) QD TYR 102 - HE2 LYS 65 OK 15 60 - 24 - 8721/1.8=3, 2.2/7751=3...(10) QE PHE 40 - HE2 LYS 65 lone 5 68 - 7 - 8721/1.8=1 QD PHE 107 - HE3 LYS 46 lone 5 68 - 7 - 4803/4.7=1 QE PHE 40 - HE3 LYS 46 lone 2 40 - 6 - HE ARG 81 - HE2 LYS 65 lone 2 96 - 2 - HE ARG 81 - HE3 LYS 46 lone 1 62 - 2 - Peak 8728 from cnoeabs.peaks (8.59, 0.89, 24.43 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.69: H VAL 18 + QD2 LEU 41 OK 63 99 - 64 - 3.0/6753=19, 8729/2.1=15...(12) H ILE 34 + QD2 LEU 41 OK 17 100 - 17 - 8729/2.1=4, 917/3.1=2...(6) H SER 29 - QD2 LEU 41 lone 8 85 - 10 - 8729/2.1=4 Peak 8729 from cnoeabs.peaks (8.60, 0.93, 24.55 ppm; 4.13 A): 6 out of 6 assignments used, quality = 0.86: H VAL 18 + QD1 LEU 41 OK 59 96 - 62 - 8728/2.1=24, ~6753=10...(12) H VAL 18 + QD1 LEU 27 OK 26 63 - 42 - ~6532=8, 6354=6...(15) H SER 29 + QD1 LEU 27 OK 24 61 - 39 - 1443/4.8=15, 6569=6...(9) H ILE 34 + QD1 LEU 41 OK 17 97 - 18 - 8728/2.1=7, 917/3.1=2...(4) H SER 29 + QD1 LEU 41 OK 15 95 - 16 - 8728/2.1=3, 6569=3...(5) H ILE 34 + QD1 LEU 27 OK 11 64 - 17 - 917/2.1=3, 5.0/6530=3...(6) Peak 8730 from cnoeabs.peaks (0.06, 3.75, 57.78 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.65: QD1 LEU 24 + HA LEU 54 OK 65 100 - 65 - 6993/4.0=42, 6467=20...(6) Peak 8731 from cnoeabs.peaks (0.62, 1.15, 42.10 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.99: QG2 VAL 26 + HB3 LEU 54 OK 86 100 - 87 - 8213/3.1=24, 8227=20...(19) QG1 VAL 26 + HB3 LEU 54 OK 86 99 - 87 - 8223/3.1=21, 6506/3.0=17...(19) QD1 LEU 51 + HB3 LEU 54 OK 62 100 - 62 - 2.1/6931=16, 4.0/6054=14...(12) QD1 LEU 45 - HB3 LEU 54 poor 9 71 - 13 - ~6511=2, 6984/3.1=2...(5) Peak 8732 from cnoeabs.peaks (3.90, 2.31, 35.00 ppm; 5.18 A): 7 out of 13 assignments used, quality = 0.94: HA ARG 53 + HG3 GLU 56 OK 61 99 - 62 - 6065/4.9=19, 6068/3.0=12...(18) HD2 PRO 68 + HG3 GLU 56 OK 43 89 - 49 - 6069/3.0=6, 7023/4.0=5...(20) HD3 PRO 68 + HG3 GLU 56 OK 41 85 - 48 - 7023/4.0=5, 6069/3.0=5...(20) HB THR 62 + HG3 GLU 56 OK 32 85 - 38 - 4.4/8303=12, 3.9/7099=8...(9) HB2 SER 112 + HG3 GLU 56 OK 16 100 - 16 - 6069/3.0=2, 1635/4.9=2...(7) HB3 SER 112 + HG3 GLU 56 OK 16 100 - 16 - 6069/3.0=2, 1635/4.9=2...(7) HB3 ASN 79 + HG3 GLU 56 OK 11 96 - 12 - 6069/3.0=2, 1635/4.9=2 HB THR 95 - HG3 GLU 56 lone 8 99 - 8 - ~8530=1 HA ILE 34 - HG3 GLU 56 lone 6 99 - 6 - ~6636=1 HA3 GLY 2 - HG3 GLU 56 lone 4 99 - 4 - HA2 GLY 2 - HG3 GLU 56 lone 4 99 - 4 - HB2 SER 13 - HG3 GLU 56 lone 3 71 - 5 - HA ALA 43 - HG3 GLU 56 lone 1 71 - 2 - Peak 8738 from cnoeabs.peaks (0.68, 2.19, 29.69 ppm; 4.91 A): 6 out of 10 assignments used, quality = 0.86: QD1 LEU 77 + HB2 GLU 73 OK 55 93 - 59 - 2.1/8739=12, 8741/2.9=11...(13) QD1 LEU 77 + HG12 ILE 80 OK 34 56 - 61 - ~7419=17, 7420/2.1=17...(10) QD2 LEU 24 + HB2 GLU 73 OK 20 96 - 21 - 8741/2.9=4, 8741/2.9=4...(8) QD1 LEU 21 + HG12 ILE 80 OK 19 45 - 42 - 8344/2.1=13, ~6411=6...(15) HG3 GLU 75 + HB2 GLU 73 OK 17 63 - 27 - 7297/4.2=5, ~8536=2...(13) QD1 LEU 21 + HB2 GLU 73 OK 11 81 - 14 - ~6420=2, 8741/2.9=2...(4) QG1 VAL 66 - HB2 GLU 73 lone 7 81 - 8 - 7297/4.2=2 QD2 LEU 24 - HG12 ILE 80 poor 7 58 - 11 - 8344/2.1=4, 8208/3.0=2, ~8204=1 QG1 VAL 66 - HG12 ILE 80 lone 4 45 - 9 - 7420/2.1=3, 7185/3029=1 HG3 GLU 75 - HG12 ILE 80 lone 2 34 - 6 - 7420/2.1=2 Peak 8739 from cnoeabs.peaks (0.59, 2.19, 29.69 ppm; 5.14 A): 6 out of 6 assignments used, quality = 0.90: QD2 LEU 77 + HB2 GLU 73 OK 59 93 - 64 - 2.1/8738=13, 8740/2.9=12...(13) QD2 LEU 77 + HG12 ILE 80 OK 38 56 - 69 - 7424/3.0=19, 7419/2.1=18...(12) QG1 VAL 26 + HB2 GLU 73 OK 26 68 - 38 - ~3908=4, ~6510=4...(15) QG1 VAL 50 + HB2 GLU 73 OK 22 83 - 27 - 2.1/6923=4, 8535=3...(9) QG1 VAL 50 + HG12 ILE 80 OK 21 47 - 44 - 8346/1.8=9, 7419/2.1=9...(9) QG1 VAL 26 + HG12 ILE 80 OK 15 37 - 40 - ~7403=8, 7403/3.2=7...(9) Peak 8740 from cnoeabs.peaks (0.58, 1.84, 35.91 ppm; 4.60 A): 5 out of 12 assignments used, quality = 0.94: QD2 LEU 77 + HG3 GLU 73 OK 68 99 - 69 - 2.1/8741=12, 7346=11...(16) QD2 LEU 77 + HG2 GLU 73 OK 68 99 - 69 - 2.1/8741=11, 7346=11...(16) QD2 LEU 77 + HG2 GLU 75 OK 23 64 - 36 - 7346=6, 4024/1.8=6...(10) QG1 VAL 50 + HG3 GLU 73 OK 16 95 - 16 - 8739/2.9=3, ~6923=2...(4) QG1 VAL 50 + HG2 GLU 73 OK 15 94 - 16 - 8739/2.9=3, ~6923=2...(4) QD2 LEU 45 - HG2 GLU 75 poor 7 40 - 17 - ~3975=2, ~3957=1...(7) QD2 LEU 45 - HG3 GLU 73 lone 5 71 - 7 - QD2 LEU 45 - HG2 GLU 73 lone 5 71 - 7 - HG12 ILE 34 - HG3 GLU 73 lone 2 60 - 3 - HG12 ILE 34 - HG2 GLU 73 lone 2 60 - 3 - QG1 VAL 50 - HG2 GLU 75 lone 2 58 - 4 - HG12 ILE 34 - HG2 GLU 75 lone 1 33 - 3 - Peak 8741 from cnoeabs.peaks (0.67, 1.84, 35.91 ppm; 3.50 A): 4 out of 15 assignments used, quality = 0.68: QD1 LEU 77 + HG3 GLU 73 OK 35 78 - 45 - 2.1/8740=7, 7354=6...(14) QD1 LEU 77 + HG2 GLU 73 OK 35 78 - 45 - 2.1/8740=7, 7354=6...(14) QD2 LEU 24 + HG3 GLU 73 OK 13 100 - 13 - 8738/2.9=2, 3.1/8479=1...(5) QD2 LEU 24 + HG2 GLU 73 OK 13 100 - 13 - 8738/2.9=2, 3.1/8479=1...(5) QD1 LEU 77 - HG2 GLU 75 poor 10 45 - 22 - 7354=4, 2.1/7346=3...(8) QD1 LEU 21 - HG3 GLU 73 lone 7 95 - 7 - 5.0/852=1, 8738/2.9=1 QD1 LEU 21 - HG2 GLU 73 lone 7 94 - 7 - 8738/2.9=1 QG1 VAL 66 - HG2 GLU 75 poor 6 33 - 17 - ~3668=3, ~3678=3...(6) QD2 LEU 24 - HG2 GLU 75 lone 4 66 - 7 - QD1 LEU 45 - HG2 GLU 75 lone 4 45 - 9 - QD1 LEU 45 - HG2 GLU 73 lone 3 78 - 3 - QD1 LEU 45 - HG3 GLU 73 lone 3 78 - 3 - QG1 VAL 66 - HG3 GLU 73 lone 2 60 - 4 - QG1 VAL 66 - HG2 GLU 73 lone 2 60 - 4 - QD1 LEU 21 - HG2 GLU 75 lone 1 58 - 2 - Peak 8742 from cnoeabs.peaks (1.74, 1.03, 27.12 ppm; 4.21 A): 4 out of 15 assignments used, quality = 0.95: HB2 LEU 45 + QD2 LEU 101 OK 64 97 - 66 - 3.1/8153=16, 6839/2.1=12...(19) HB2 LEU 91 + QD2 LEU 101 OK 61 98 - 63 - 1.8/8364=10, 8362=9...(25) HB3 LYS 46 + QD2 LEU 101 OK 46 99 - 47 - 3.0/7716=8, ~6859=6...(16) HG2 GLN 42 + QD2 LEU 101 OK 35 90 - 38 - ~6801=7, 6800/2.1=6...(14) HG2 ARG 71 - QD2 LEU 101 OK 30 100 - 30 - 1.8/8247=3, ~7703=3...(11) HG3 PRO 30 - QD2 LEU 101 OK 29 83 - 36 - 2.3/8034=5, 8247=5...(13) HB2 ARG 53 - QD2 LEU 101 OK 28 100 - 28 - 3.0/4671=3, 3133/2.1=3...(14) HB3 ARG 71 - QD2 LEU 101 OK 28 92 - 30 - 3.0/4680=4, ~7704=3...(14) HG3 ARG 71 - QD2 LEU 101 OK 28 95 - 29 - 8247=3, ~7703=3...(11) HB2 LYS 31 - QD2 LEU 101 OK 24 85 - 28 - 4.0/5837=3, ~8445=2...(12) HG LEU 117 - QD2 LEU 101 lone 8 85 - 9 - 3.6/8534=1, 8011/2.1=1 HB3 LEU 55 - QD2 LEU 101 lone 6 68 - 9 - 3.1/7713=2, ~8292=1, 3.0/8292=1 HD2 LYS 109 - QD2 LEU 101 lone 5 85 - 6 - 3.9/7715=1 HD3 LYS 109 - QD2 LEU 101 lone 5 78 - 6 - 3.9/7715=1 HB VAL 66 - QD2 LEU 101 lone 4 100 - 4 - Peak 8743 from cnoeabs.peaks (7.09, 0.99, 22.75 ppm; 4.39 A): 4 out of 5 assignments used, quality = 0.87: HZ PHE 96 + QD1 LEU 101 OK 68 96 - 71 - 7726/2.1=27, 2.2/8744=12...(18) H LEU 93 + QD1 LEU 101 OK 41 100 - 41 - 7726/2.1=10, 7595=8...(10) QD PHE 40 + QD1 LEU 101 OK 20 63 - 32 - 4670=5, 2.2/4680=4...(12) QD PHE 83 + QD1 LEU 101 OK 12 78 - 15 - 2.5/7703=3, 4.6/5836=3...(6) HE ARG 92 - QD1 LEU 101 lone 6 92 - 6 - 7726/2.1=1 Peak 8744 from cnoeabs.peaks (7.26, 0.99, 22.75 ppm; 4.17 A): 3 out of 6 assignments used, quality = 0.93: QE PHE 96 + QD1 LEU 101 OK 68 93 - 73 - ~7726=16, 2.2/8743=15...(18) QD PHE 96 + QD1 LEU 101 OK 66 95 - 70 - 4715/7709=13, 4712=13...(19) H VAL 26 + QD1 LEU 101 OK 34 97 - 35 - 6493/2.1=9, 4.0/7707=6...(6) HE ARG 71 - QD1 LEU 101 OK 24 100 - 24 - 2.9/7703=5, 2.9/7703=4...(9) HE ARG 57 - QD1 LEU 101 OK 15 100 - 15 - 4.9/7037=2, 7.4/7031=1 HD1 TRP 20 - QD1 LEU 101 poor 9 68 - 13 - 2.6/6385=2, 6.6/7721=1...(5) Peak 8746 from cnoeabs.peaks (6.95, 3.02, 41.85 ppm; 3.99 A): 4 out of 12 assignments used, quality = 0.93: HD22 ASN 106 + HE2 LYS 109 OK 69 96 - 72 - 7801=16, 1.7/7802=15...(11) HD22 ASN 106 + HE3 LYS 109 OK 69 96 - 72 - 7801=16, 1.7/7802=15...(11) HD22 ASN 108 + HE3 LYS 109 OK 13 78 - 16 - 7833/3.5=4, 7832/3.5=4...(5) HD22 ASN 108 + HE2 LYS 109 OK 13 78 - 16 - 7833/3.5=4, 7832/3.5=4...(5) HD22 ASN 108 - HD2 ARG 85 poor 10 37 - 27 - 8708/2.9=9, 7503/1.8=7...(5) H LEU 101 - HE3 LYS 109 poor 10 85 - 12 - 4.6/1280=4, 549/6.9=2...(4) H LEU 101 - HE2 LYS 109 poor 10 85 - 12 - 4.6/1280=4, 549/6.9=2...(4) H LEU 101 - HD2 ARG 85 poor 7 41 - 17 - 8708/2.9=6, 7503/1.8=5...(5) HD22 ASN 12 - HE2 LYS 109 lone 6 99 - 6 - 7833/3.5=2 HD22 ASN 12 - HE3 LYS 109 lone 6 99 - 6 - 7833/3.5=2 HD22 ASN 106 - HD2 ARG 85 lone 3 49 - 7 - 7801=1, 1.7/7802=1, 8708/2.9=1 HD22 ASN 12 - HD2 ARG 85 lone 3 54 - 5 - 8708/2.9=2, 7503/1.8=1 Peak 8747 from cnoeabs.peaks (3.85, 0.98, 21.91 ppm; 3.77 A): 4 out of 20 assignments used, quality = 0.92: HA GLU 15 + QG1 VAL 18 OK 60 100 - 61 - 6320=21, 6319/2.1=17...(11) HA THR 19 + QG1 VAL 18 OK 60 97 - 62 - 3.0/50=14, 6372=9...(13) HA LYS 119 + QD2 LEU 58 OK 31 72 - 44 - 3.0/8028=5, 5193/2.1=4...(18) HA THR 19 + QD2 LEU 58 OK 30 88 - 34 - 3.0/50=5, 6372=5...(14) HA THR 33 - QG1 VAL 18 OK 23 99 - 24 - 3.6/2001=5, 5535/4.0=4...(11) HA THR 116 - QG1 VAL 18 OK 22 76 - 29 - 6372=4, 3.0/5460=4...(11) HA LEU 77 - QG1 VAL 18 OK 22 92 - 24 - 3992/2.1=5, 5958/2.1=3...(10) HB THR 33 - QG1 VAL 18 OK 19 98 - 20 - 5536/4.0=5, 4.6/2001=4...(8) HA THR 116 - QD2 LEU 58 OK 17 65 - 25 - 6372=3, 3.6/5649=3...(11) HA GLU 15 - QD2 LEU 58 OK 11 92 - 12 - 6320=3, 6320/2.1=2, 5956/826=1 HA LYS 119 - QG1 VAL 18 poor 10 83 - 12 - 3.0/8028=2, ~606=2...(5) HB2 SER 35 - QG1 VAL 18 lone 5 100 - 5 - HA LEU 77 - QD2 LEU 58 lone 4 81 - 5 - HB2 SER 13 - QG1 VAL 18 lone 4 87 - 4 - HA3 GLY 104 - QG1 VAL 18 lone 4 100 - 4 - HA THR 33 - QD2 LEU 58 lone 4 89 - 4 - 3.6/2001=1 HB THR 33 - QD2 LEU 58 lone 2 89 - 3 - HB2 SER 35 - QD2 LEU 58 lone 2 92 - 2 - HB2 SER 13 - QD2 LEU 58 lone 1 76 - 2 - HA3 GLY 104 - QD2 LEU 58 lone 1 92 - 1 - Peak 8748 from cnoeabs.peaks (4.56, 0.99, 21.76 ppm; 3.89 A): 5 out of 16 assignments used, quality = 0.75: HB THR 121 + QD2 LEU 58 OK 43 100 - 43 - 8082=11, 8082/2.1=8...(11) HA LEU 27 + QD2 LEU 58 OK 32 68 - 46 - 8749/2.1=7, 3.0/2272=5...(18) HA GLU 69 + QG1 VAL 18 OK 15 78 - 19 - 3.8/2002=4, 7245/3.2=3...(8) HA THR 95 + QD2 LEU 58 OK 14 95 - 15 - 8749/2.1=3, 4545=2...(6) HA LEU 27 + QG1 VAL 18 OK 13 58 - 22 - ~8394=3, 4.0/2300=3...(11) HA GLU 69 - QD2 LEU 58 lone 8 89 - 9 - 8749/2.1=1, 3.0/7051=1 HA THR 95 - QG1 VAL 18 lone 7 84 - 8 - 4545=2, 3.0/4549=1, 3.0/1246=1 HA GLU 82 - QG1 VAL 18 lone 6 78 - 7 - 6145/4.0=1 HA ASP 47 - QD2 LEU 58 lone 5 87 - 6 - 3.6/6879=2, 8749/2.1=1 HB THR 121 - QG1 VAL 18 lone 5 93 - 5 - 8082=1 HA GLU 82 - QD2 LEU 58 lone 4 89 - 5 - HA ASN 79 - QD2 LEU 58 lone 4 92 - 5 - 8749/2.1=1 HA ASN 99 - QD2 LEU 58 lone 4 100 - 4 - HA ASN 99 - QG1 VAL 18 lone 3 91 - 3 - HA ASP 47 - QG1 VAL 18 lone 2 76 - 3 - HA ASN 79 - QG1 VAL 18 lone 2 81 - 2 - Peak 8749 from cnoeabs.peaks (4.56, 1.00, 25.81 ppm; 4.99 A): 4 out of 8 assignments used, quality = 0.84: HB THR 121 + QD1 LEU 58 OK 58 100 - 58 - 8748/2.1=12, 8082=11...(14) HA LEU 27 + QD1 LEU 58 OK 49 76 - 65 - 3.0/7062=10, 8748/2.1=9...(23) HA THR 95 + QD1 LEU 58 OK 19 97 - 19 - 8748/2.1=4, ~1246=3...(7) HA GLU 69 + QD1 LEU 58 OK 11 83 - 13 - 8748/2.1=2, ~7051=1...(5) HA ASP 47 - QD1 LEU 58 poor 9 81 - 11 - 3.6/6879=6, 8748/2.1=1 HA ASN 79 - QD1 LEU 58 lone 8 96 - 9 - 4.9/7422=3, 8748/2.1=1 HA ASN 99 - QD1 LEU 58 lone 7 100 - 7 - 8748/2.1=1 HA GLU 82 - QD1 LEU 58 lone 7 93 - 7 - 6141/2.1=1, 8748/2.1=1 Peak 8750 from cnoeabs.peaks (2.22, 3.89, 59.20 ppm; 4.77 A): 5 out of 14 assignments used, quality = 0.91: HB VAL 26 + HA ARG 53 OK 46 63 - 74 - 2.1/6505=19, ~6964=12...(18) HB3 PRO 37 + HA ARG 53 OK 45 99 - 46 - 1.8/6068=8, 2.3/6066=6...(18) HG2 GLU 56 + HA ARG 53 OK 41 76 - 54 - 4.9/6065=17, 3.0/6068=11...(14) HG2 PRO 37 + HA ARG 53 OK 35 81 - 43 - 2.3/6068=8, 1.8/6066=6...(15) HG2 GLU 94 + HA ARG 53 OK 19 90 - 21 - 4.9/3121=3, 3.0/3124=2...(8) HB3 LEU 117 - HA ARG 53 OK 16 97 - 16 - ~6960=3, 1.8/6068=2...(5) HB2 PRO 68 - HA ARG 53 OK 14 97 - 14 - 1035/6065=1 HB2 PRO 70 - HA ARG 53 OK 13 81 - 16 - 2.3/6066=2, 3814/3.0=1...(4) HG2 GLU 38 - HA ARG 53 OK 12 89 - 14 - 4.9/6064=2, 5.0/3121=2 HG3 GLU 38 - HA ARG 53 OK 12 87 - 14 - 4.9/6064=2, 5.0/3121=2 HG2 GLU 28 - HA ARG 53 lone 3 99 - 3 - HG3 GLU 28 - HA ARG 53 lone 3 98 - 3 - HG3 GLU 64 - HA ARG 53 lone 2 93 - 2 - HG3 GLU 15 - HA ARG 53 lone 2 63 - 3 - Peak 8752 from cnoeabs.peaks (3.86, 4.42, 54.38 ppm; 3.98 A): 3 out of 12 assignments used, quality = 0.93: HA THR 33 + HA LYS 32 OK 74 100 - 75 - 2.9/129=29, 3.0/6617=20...(20) HB THR 33 + HA LYS 32 OK 64 100 - 64 - 6617=32, 2579/3.6=22...(12) HA LEU 77 + HA LYS 32 OK 24 78 - 30 - 3.0/2489=3, ~1651=3...(15) HB3 ASN 79 - HA LYS 32 OK 23 73 - 32 - 3.5/2485=7, 3.5/5526=6...(12) HA THR 116 - HA LYS 32 OK 13 57 - 23 - 3.0/6233=6, 3.0/1775=4...(9) HA GLU 15 - HA LYS 32 OK 12 97 - 13 - 8188/3.0=3, 6319/3.8=2...(5) HA THR 19 - HA LYS 32 poor 9 89 - 10 - 3.2/2490=2, 8754/3.0=1 HA3 GLY 104 - HA LYS 32 lone 9 100 - 8 - 5849/3.6=3, 3.6/5526=1 HA LYS 119 - HA LYS 32 poor 7 65 - 11 - ~121=2, ~6610=2...(4) HB2 SER 35 - HA LYS 32 lone 4 100 - 4 - 2575/3.6=1 HA ARG 53 - HA LYS 32 lone 4 63 - 6 - 6064/3.6=1 HB2 SER 13 - HA LYS 32 lone 3 97 - 3 - Peak 8753 from cnoeabs.peaks (3.86, 1.79, 34.15 ppm; 4.71 A): 2 out of 12 assignments used, quality = 0.95: HA THR 33 + HB2 LYS 32 OK 84 100 - 84 - 2.9/130=21, ~129=17...(19) HB THR 33 + HB2 LYS 32 OK 68 100 - 68 - 6617/3.0=27, 2579/4.7=22...(11) HB3 ASN 79 - HB2 LYS 32 OK 35 73 - 48 - 3.5/5527=9, 3.5/2495=8...(14) HA LEU 77 - HB2 LYS 32 OK 33 78 - 43 - 3.0/2499=5, 8754/1.8=5...(17) HA GLU 15 - HB2 LYS 32 OK 22 97 - 22 - 8188=4, 6319/3.0=4...(9) HA THR 116 - HB2 LYS 32 OK 17 57 - 29 - 3.2/2500=4, ~6233=4...(14) HA THR 19 - HB2 LYS 32 OK 15 89 - 17 - 8754/1.8=2, 3.2/2500=2...(6) HA LYS 119 - HB2 LYS 32 OK 13 65 - 21 - ~8457=3, 8754/1.8=2...(8) HA3 GLY 104 - HB2 LYS 32 OK 12 100 - 12 - 5849/4.7=3, 3.6/5527=2...(6) HA ARG 53 - HB2 LYS 32 lone 5 63 - 9 - 6064/4.7=1, 6068=1 HB2 SER 35 - HB2 LYS 32 lone 5 100 - 5 - 2575/4.7=2 HB2 SER 13 - HB2 LYS 32 lone 4 97 - 4 - Peak 8754 from cnoeabs.peaks (3.85, 1.64, 34.15 ppm; 5.00 A): 2 out of 10 assignments used, quality = 0.97: HA THR 33 + HB3 LYS 32 OK 89 98 - 90 - 2.9/5528=21, ~129=19...(25) HB THR 33 + HB3 LYS 32 OK 75 97 - 77 - 6617/3.0=29, 2579/4.7=24...(15) HA LEU 77 - HB3 LYS 32 OK 44 93 - 47 - 3.0/2509=5, 3992/3.0=5...(17) HA THR 116 - HB3 LYS 32 OK 24 78 - 30 - ~6233=4, 3.2/2510=4...(15) HA GLU 15 - HB3 LYS 32 OK 20 100 - 20 - 8188/1.8=4, 6319/3.0=4...(6) HA THR 19 - HB3 LYS 32 OK 19 98 - 19 - 3.2/2510=2, 8753/1.8=2...(9) HA LYS 119 - HB3 LYS 32 OK 18 85 - 22 - ~8457=3, ~8456=2...(8) HA3 GLY 104 - HB3 LYS 32 OK 13 100 - 13 - 5849/4.7=3, 3.6/5528=2...(6) HB2 SER 35 - HB3 LYS 32 lone 7 100 - 7 - 2575/4.7=2 HB2 SER 13 - HB3 LYS 32 lone 4 85 - 5 - Peak 8755 from cnoeabs.peaks (2.92, 1.79, 34.15 ppm; 4.89 A): 2 out of 7 assignments used, quality = 1.00: HE2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 4.7=100 HE3 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 4.7=100 HB3 PHE 96 - HB2 LYS 32 OK 27 97 - 28 - 1.8/7634=4, 2534/3.0=3...(9) HB2 PHE 40 - HB2 LYS 32 OK 17 71 - 24 - 2.5/4666=5, ~4668=4...(8) HB2 ASN 106 - HB2 LYS 32 lone 5 87 - 5 - HB2 ASP 100 - HB2 LYS 32 lone 4 68 - 5 - HG3 GLU 82 - HB2 LYS 32 lone 1 65 - 2 - Peak 8756 from cnoeabs.peaks (2.91, 1.64, 34.15 ppm; 4.99 A): 2 out of 7 assignments used, quality = 1.00: HE2 LYS 32 + HB3 LYS 32 OK 97 97 - 100 - 4.7=100 HE3 LYS 32 + HB3 LYS 32 OK 97 97 - 100 - 4.7=100 HB2 PHE 40 - HB3 LYS 32 OK 23 89 - 26 - ~4668=4, ~6744=4...(10) HB3 PHE 96 - HB3 LYS 32 OK 21 87 - 24 - 8755/1.8=4, ~7634=3...(7) HB2 ASP 100 - HB3 LYS 32 lone 5 87 - 6 - HB2 ASN 106 - HB3 LYS 32 lone 4 97 - 4 - HB3 ASN 12 - HB3 LYS 32 lone 1 63 - 2 - Peak 8757 from cnoeabs.peaks (1.92, 1.54, 33.77 ppm; 4.55 A): 8 out of 38 assignments used, quality = 0.88: HB2 LYS 109 + HB3 LYS 65 OK 42 96 - 44 - 4895=7, 4895/1.8=6...(15) HB2 LYS 109 + HB2 LYS 65 OK 42 96 - 44 - 4895=7, 4895/1.8=6...(15) HB3 GLU 64 + HB2 LYS 65 OK 18 97 - 18 - 4.6/1082=12, 7157/3.0=1...(4) HB3 GLU 64 + HB3 LYS 65 OK 18 97 - 18 - 4.6/1082=12, 7157/3.0=1...(4) HB2 GLU 64 + HB2 LYS 65 OK 17 96 - 18 - 4.6/1082=12, 7157/3.0=1...(4) HB2 GLU 64 + HB3 LYS 65 OK 17 96 - 18 - 4.6/1082=12, 7157/3.0=1...(4) HG LEU 58 + HB3 LYS 65 OK 12 99 - 12 - 302/4.0=2 HG LEU 58 + HB2 LYS 65 OK 12 99 - 12 - 302/4.0=2 HB3 LYS 119 - HB3 LYS 65 lone 5 87 - 5 - HB3 LYS 119 - HB2 LYS 65 lone 5 87 - 5 - HB ILE 80 - HB2 LYS 65 lone 4 100 - 4 - HB ILE 80 - HB3 LYS 65 lone 4 100 - 4 - HB3 GLU 94 - HB3 LYS 65 lone 4 63 - 7 - 301/4.0=1 HB3 GLU 94 - HB2 LYS 65 lone 4 63 - 7 - 301/4.0=1 HB2 LEU 84 - HB3 LYS 65 lone 4 78 - 5 - HB2 LEU 84 - HB2 LYS 65 lone 4 78 - 5 - HB2 GLU 38 - HB3 LYS 65 lone 4 90 - 4 - 302/4.0=2 HB2 GLU 38 - HB2 LYS 65 lone 4 90 - 4 - 302/4.0=2 HB3 PRO 30 - HB2 LYS 65 lone 4 78 - 4 - 6585/4.0=1 HB3 PRO 30 - HB3 LYS 65 lone 4 78 - 4 - 6585/4.0=1 HB2 ARG 85 - HB2 LYS 65 lone 3 78 - 4 - HB2 ARG 85 - HB3 LYS 65 lone 3 78 - 4 - HB3 ARG 85 - HB2 LYS 65 lone 3 78 - 4 - HB3 ARG 85 - HB3 LYS 65 lone 3 78 - 4 - HB2 ARG 81 - HB3 LYS 65 lone 3 89 - 3 - HB2 ARG 81 - HB2 LYS 65 lone 3 89 - 3 - HB2 LEU 21 - HB2 LYS 65 lone 2 100 - 2 - HB2 LEU 21 - HB3 LYS 65 lone 2 100 - 2 - HB3 GLU 73 - HB3 LYS 65 lone 2 93 - 2 - HB3 GLU 73 - HB2 LYS 65 lone 2 93 - 2 - HB3 MET 11 - HB3 LYS 65 lone 2 98 - 2 - HB3 MET 11 - HB2 LYS 65 lone 2 98 - 2 - HB ILE 22 - HB2 LYS 65 lone 1 90 - 2 - HB ILE 22 - HB3 LYS 65 lone 1 90 - 2 - HB3 GLU 69 - HB2 LYS 65 lone 1 87 - 2 - HB3 GLU 69 - HB3 LYS 65 lone 1 87 - 2 - HB2 GLU 28 - HB2 LYS 65 lone 1 81 - 1 - HB2 GLU 28 - HB3 LYS 65 lone 1 81 - 1 - Peak 8758 from cnoeabs.peaks (2.54, 1.54, 33.77 ppm; 5.17 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 65 + HB2 LYS 65 OK 90 90 - 100 - 5.0=100 HE2 LYS 65 + HB3 LYS 65 OK 90 90 - 100 - 5.0=100 HE3 LYS 46 + HB3 LYS 65 OK 71 99 - 72 - 1.8/2996=8, ~2996=7...(36) HE3 LYS 46 + HB2 LYS 65 OK 71 99 - 72 - 1.8/2996=8, ~2996=7...(36) HG3 GLN 103 - HB2 LYS 65 OK 17 63 - 27 - 7762/4.0=8, ~4741=5...(6) HG3 GLN 103 - HB3 LYS 65 OK 17 63 - 27 - 7762/4.0=8, ~4741=5...(6) HG2 GLU 82 - HB3 LYS 65 poor 8 60 - 13 - 7444/4.0=10 HG2 GLU 82 - HB2 LYS 65 poor 8 60 - 13 - 7444/4.0=10 HB3 ASP 36 - HB3 LYS 65 lone 4 100 - 4 - HB3 ASP 36 - HB2 LYS 65 lone 4 100 - 4 - Peak 8759 from cnoeabs.peaks (2.70, 1.54, 33.77 ppm; 5.45 A): 2 out of 8 assignments used, quality = 1.00: HE3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 5.0=100 HE3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 5.0=100 HB3 ASN 106 - HB2 LYS 65 OK 27 87 - 31 - 1.8/7789=6, ~7789=5...(8) HB3 ASN 106 - HB3 LYS 65 OK 27 87 - 31 - 1.8/7789=6, ~7789=5...(8) HB3 ASN 108 - HB3 LYS 65 poor 10 78 - 12 - 4.6/1327=4, 7792/1.8=1, 7792=1 HB3 ASN 108 - HB2 LYS 65 poor 10 78 - 12 - 4.6/1327=4, 7792/1.8=1, 7792=1 HB3 ASN 99 - HB2 LYS 65 lone 7 85 - 8 - 7679/3.8=2, 7679/3.8=2 HB3 ASN 99 - HB3 LYS 65 lone 7 85 - 8 - 7679/3.8=2, 7679/3.8=2 Peak 4525 from aronoe.peaks (4.63, 7.06, 119.66 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.98: * HA HIS 10 + HD2 HIS 10 OK 98 100 - 98 - 4.6=98, 3.0/4527=35 HA ASN 106 - HD2 HIS 10 lone 3 83 - 4 - 1826/4.0=1, 1830/4.0=1 HA ASP 123 - HD2 HIS 10 lone 3 100 - 3 - 1826/4.0=1, 1830/4.0=1 Peak 4526 from aronoe.peaks (3.15, 7.06, 119.66 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.0=100 HD2 ARG 53 - HD2 HIS 10 poor 7 73 - 10 - 1.8/4527=4, 1831/4.0=4 HD3 ARG 92 - HD2 HIS 10 lone 1 100 - 1 - HD2 ARG 92 - HD2 HIS 10 lone 1 100 - 1 - HD3 ARG 81 - HD2 HIS 10 lone 1 78 - 1 - HD3 ARG 57 - HD2 HIS 10 lone 1 63 - 1 - Peak 4527 from aronoe.peaks (3.08, 7.06, 119.66 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.92: * HB3 HIS 10 + HD2 HIS 10 OK 92 100 - 92 - 4.0=90, 3.0/4525=21 HD3 ARG 53 - HD2 HIS 10 lone 9 97 - 9 - 1828/4.0=4, 1824/4.6=3 HB2 PHE 107 - HD2 HIS 10 lone 1 68 - 1 - HB3 CYS 76 - HD2 HIS 10 lone 0 60 - 1 - Peak 4528 from aronoe.peaks (7.06, 7.06, 119.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 Peak 4532 from aronoe.peaks (4.60, 7.28, 127.00 ppm; 3.26 A): 3 out of 4 assignments used, quality = 0.69: * HA TRP 20 + HD1 TRP 20 OK 55 100 - 55 - 4.5=37, 2024/2.6=14...(5) HA LEU 45 + HD1 TRP 20 OK 20 100 - 21 - 2039/3.9=3, 8387/2.6=3...(9) HA GLU 69 + HD1 TRP 20 OK 12 88 - 13 - 3.0/4632=3, 2029/3.9=3...(5) HA ASP 47 - HD1 TRP 20 lone 5 90 - 5 - Peak 4533 from aronoe.peaks (3.70, 7.28, 127.00 ppm; 4.43 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TRP 20 + HD1 TRP 20 OK 100 100 - 100 - 3.9=100 HD3 PRO 30 - HD1 TRP 20 OK 40 91 - 44 - 6589=10, 3.6/4631=8...(10) HA3 GLY 86 - HD1 TRP 20 poor 10 90 - 11 - 2040/3.9=3, 2020/4.5=3...(4) HA2 GLY 104 - HD1 TRP 20 lone 6 98 - 6 - 2040/3.9=2, 2020/4.5=1 HB3 SER 90 - HD1 TRP 20 lone 1 62 - 2 - Peak 4534 from aronoe.peaks (3.22, 7.28, 127.00 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TRP 20 + HD1 TRP 20 OK 100 100 - 100 - 3.9=100 HA GLN 42 - HD1 TRP 20 OK 12 96 - 13 - 2031/3.9=3, 2021/4.5=2...(4) HD2 ARG 71 - HD1 TRP 20 lone 8 100 - 8 - 2031/3.9=2, 2021/4.5=2 HB3 PHE 83 - HD1 TRP 20 lone 5 91 - 5 - 2031/3.9=1, 2021/4.5=1 HD2 ARG 81 - HD1 TRP 20 lone 2 75 - 3 - Peak 4535 from aronoe.peaks (7.28, 7.28, 127.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 20 + HD1 TRP 20 OK 100 100 - 100 Peak 4537 from aronoe.peaks (10.21, 7.28, 127.00 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 20 + HD1 TRP 20 OK 100 100 - 100 - 2.6=100 Peak 4542 from aronoe.peaks (7.54, 7.54, 120.47 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HE3 TRP 20 + HE3 TRP 20 OK 98 98 - 100 Peak 4544 from aronoe.peaks (6.89, 7.54, 120.47 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.99: * HZ3 TRP 20 + HE3 TRP 20 OK 99 99 - 100 - 2.5=100 H LYS 46 - HE3 TRP 20 OK 19 97 - 19 - 2095/4.3=3, ~2919=3...(8) QE TYR 102 - HE3 TRP 20 poor 9 80 - 11 - 4562/4.3=1, ~4714=1 HE22 GLN 103 - HE3 TRP 20 lone 4 98 - 4 - 2095/4.3=1 Peak 4548 from aronoe.peaks (7.54, 6.89, 120.48 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.99: * HE3 TRP 20 + HZ3 TRP 20 OK 99 99 - 100 - 2.5=100 H CYS 76 - HZ3 TRP 20 OK 16 83 - 19 - 4560/2.4=4, 4.0/7334=3...(7) H CYS 52 - HZ3 TRP 20 poor 8 64 - 12 - 4560/2.4=2, 6394/6396=2...(5) Peak 4550 from aronoe.peaks (6.89, 6.89, 120.48 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ3 TRP 20 + HZ3 TRP 20 OK 99 99 - 100 Peak 4552 from aronoe.peaks (6.79, 6.89, 120.48 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.99: * HH2 TRP 20 + HZ3 TRP 20 OK 99 99 - 100 - 2.4=100 H VAL 110 - HZ3 TRP 20 OK 15 99 - 15 - 2087/4.3=3, 4636/2.5=3...(4) QE TYR 67 - HZ3 TRP 20 OK 14 99 - 14 - 4636/2.5=3, 2087/4.3=2...(5) HE21 GLN 42 - HZ3 TRP 20 lone 3 58 - 5 - Peak 4555 from aronoe.peaks (10.21, 7.33, 114.08 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 20 + HZ2 TRP 20 OK 100 100 - 100 - 2.8=100 Peak 4556 from aronoe.peaks (6.89, 7.33, 114.08 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.96: * HZ3 TRP 20 + HZ2 TRP 20 OK 96 100 - 96 - 4.3=94, ~4636=16...(7) H LYS 46 - HZ2 TRP 20 OK 19 99 - 19 - 2095/2.5=6, 4544/5.0=3...(8) QE TYR 102 - HZ2 TRP 20 lone 8 83 - 9 - 6979/6977=2, 4562/2.5=2 HE22 GLN 103 - HZ2 TRP 20 lone 5 99 - 5 - 2095/2.5=2 Peak 4557 from aronoe.peaks (7.33, 7.33, 114.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 20 + HZ2 TRP 20 OK 100 100 - 100 Peak 4558 from aronoe.peaks (6.79, 7.33, 114.08 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * HH2 TRP 20 + HZ2 TRP 20 OK 100 100 - 100 - 2.5=100 H VAL 110 - HZ2 TRP 20 OK 15 100 - 15 - 7050/7049=2, 8073/8072=2...(6) QE TYR 67 - HZ2 TRP 20 OK 10 100 - 10 - 2077/4.3=2, ~3708=1, 6978/6977=1 HE21 GLN 42 - HZ2 TRP 20 lone 2 60 - 4 - Peak 4560 from aronoe.peaks (7.54, 6.79, 122.83 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * HE3 TRP 20 + HH2 TRP 20 OK 100 100 - 100 - 4.3=100 H CYS 76 - HH2 TRP 20 OK 20 85 - 24 - 3.6/8330=7, 2073/2.4=6...(5) H CYS 52 - HH2 TRP 20 OK 12 65 - 18 - 3.6/4657=6, 2073/2.4=4...(4) Peak 4562 from aronoe.peaks (6.89, 6.79, 122.83 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HZ3 TRP 20 + HH2 TRP 20 OK 100 100 - 100 - 2.4=100 H LYS 46 - HH2 TRP 20 OK 14 99 - 15 - 4556/2.5=3, 4544/4.3=2...(4) QE TYR 102 - HH2 TRP 20 lone 6 83 - 7 - 4556/2.5=1 HE22 GLN 103 - HH2 TRP 20 lone 4 99 - 4 - Peak 4563 from aronoe.peaks (7.33, 6.79, 122.83 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 20 + HH2 TRP 20 OK 100 100 - 100 - 2.5=100 Peak 4564 from aronoe.peaks (6.79, 6.79, 122.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 20 + HH2 TRP 20 OK 100 100 - 100 Peak 4565 from aronoe.peaks (4.34, 7.12, 131.20 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: * HA PHE 40 + QD PHE 40 OK 100 100 - 100 - 3.7=100 HA ASP 100 + QD PHE 40 OK 48 94 - 51 - 2750/2.5=10, 4634/2.5=9...(14) HB THR 17 - QD PHE 40 OK 20 97 - 21 - 2750/2.5=4, 8393/6351=4...(8) HA CYS 76 - QD PHE 40 OK 14 85 - 16 - 3.6/4673=3, 2750/2.5=2...(7) HA MET 11 - QD PHE 40 lone 3 63 - 4 - Peak 4566 from aronoe.peaks (2.90, 7.12, 131.20 ppm; 4.02 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 40 + QD PHE 40 OK 100 100 - 100 - 2.5=100 HB2 ASP 100 + QD PHE 40 OK 58 100 - 58 - 2748=11, 2751/2.5=11...(14) HB3 ASN 12 - QD PHE 40 OK 16 92 - 18 - 2751/2.5=3, 2737/3.7=2...(7) HE2 LYS 32 - QD PHE 40 OK 12 76 - 16 - 3.8/4668=4, 4.7/4666=2...(6) HE3 LYS 32 - QD PHE 40 OK 12 73 - 16 - 3.8/4668=4, 4.7/4666=2...(6) HB2 ASN 106 - QD PHE 40 OK 11 100 - 11 - 2751/2.5=2, 2737/3.7=2...(6) Peak 4567 from aronoe.peaks (3.35, 7.12, 131.20 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 40 + QD PHE 40 OK 100 100 - 100 - 2.5=100 HD3 PRO 60 - QD PHE 40 OK 30 98 - 30 - 2745/2.5=5, 2738/3.7=4...(13) HD3 ARG 85 - QD PHE 40 OK 19 93 - 20 - 164/4.5=3, 2745/2.5=3...(10) Peak 4568 from aronoe.peaks (7.12, 7.12, 131.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 40 + QD PHE 40 OK 100 100 - 100 Peak 4569 from aronoe.peaks (7.22, 7.12, 131.20 ppm; 2.71 A): 1 out of 6 assignments used, quality = 1.00: * QE PHE 40 + QD PHE 40 OK 100 100 - 100 - 2.2=100 QD TYR 102 - QD PHE 40 OK 14 100 - 15 - 2740/3.7=2, 2754/2.5=1...(8) QE PHE 96 - QD PHE 40 OK 11 71 - 16 - 2.2/4570=3, 4571=3, ~2767=1 H LYS 65 - QD PHE 40 lone 6 99 - 6 - QD TYR 67 - QD PHE 40 lone 4 83 - 4 - H VAL 26 - QD PHE 40 lone 1 60 - 2 - Peak 4570 from aronoe.peaks (7.29, 7.12, 131.20 ppm; 3.34 A): 2 out of 3 assignments used, quality = 0.76: * HZ PHE 40 + QD PHE 40 OK 73 100 - 73 - 3.8=68, 7.2/2741=3...(7) QD PHE 96 + QD PHE 40 OK 13 78 - 17 - 2767/2.2=4, 2.2/2775=3...(4) HD1 TRP 20 - QD PHE 40 lone 3 98 - 3 - Peak 4571 from aronoe.peaks (7.12, 7.22, 131.06 ppm; 2.79 A): 1 out of 10 assignments used, quality = 1.00: * QD PHE 40 + QE PHE 40 OK 100 100 - 100 - 2.2=100 QD PHE 83 - QE PHE 40 OK 14 100 - 14 - ~4210=2, ~4203=2...(6) QD PHE 40 - QE PHE 96 poor 8 49 - 17 - 4569=4, 4570/2.2=3...(6) HE ARG 53 - QE PHE 40 lone 8 87 - 9 - ~6958=2, 2755/4.4=2...(5) HE ARG 92 - QE PHE 40 lone 3 96 - 3 - H LEU 93 - QE PHE 40 lone 2 65 - 3 - QD PHE 83 - QE PHE 96 lone 2 48 - 4 - ~4597=1 H LEU 93 - QE PHE 96 lone 1 26 - 3 - ~4470=1 HE ARG 92 - QE PHE 96 lone 0 43 - 1 - HE ARG 53 - QE PHE 96 lone 0 37 - 1 - Peak 4572 from aronoe.peaks (7.22, 7.22, 131.06 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QE PHE 40 + QE PHE 40 OK 100 100 - 100 QE PHE 96 - QE PHE 96 OK 28 28 - 100 Peak 4573 from aronoe.peaks (7.29, 7.22, 131.06 ppm; 2.72 A): 1 out of 6 assignments used, quality = 1.00: * HZ PHE 40 + QE PHE 40 OK 100 100 - 100 - 2.2=100 QD PHE 96 - QE PHE 96 OK 32 32 - 100 - 2.2=100 QD PHE 96 - QE PHE 40 OK 10 78 - 13 - 4570/2.2=3, 4600=2, ~2775=1 HZ PHE 40 - QE PHE 96 lone 4 49 - 9 - 4575=2, 3.8/2775=1 HD1 TRP 20 - QE PHE 40 lone 3 98 - 3 - HD1 TRP 20 - QE PHE 96 lone 1 45 - 1 - Peak 4574 from aronoe.peaks (7.12, 7.29, 129.72 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * QD PHE 40 + HZ PHE 40 OK 100 100 - 100 - 3.8=100 QD PHE 83 - HZ PHE 40 OK 17 100 - 17 - 2769/2.2=6, 2755/5.8=3...(6) HE ARG 53 - HZ PHE 40 OK 10 87 - 12 - 2769/2.2=4, 2755/5.8=2...(4) HE ARG 92 - HZ PHE 40 lone 5 96 - 5 - 2769/2.2=1 H LEU 93 - HZ PHE 40 lone 3 65 - 4 - Peak 4575 from aronoe.peaks (7.22, 7.29, 129.72 ppm; 3.09 A): 1 out of 6 assignments used, quality = 1.00: * QE PHE 40 + HZ PHE 40 OK 100 100 - 100 - 2.2=100 QD TYR 102 - HZ PHE 40 OK 14 100 - 14 - 2775/3.8=3, ~4703=2...(6) QE PHE 96 - HZ PHE 40 poor 9 71 - 13 - 2775/3.8=2, ~2767=2...(6) H LYS 65 - HZ PHE 40 lone 5 99 - 5 - 2775/3.8=1 QD TYR 67 - HZ PHE 40 lone 3 83 - 4 - H VAL 26 - HZ PHE 40 lone 1 60 - 2 - Peak 4576 from aronoe.peaks (7.29, 7.29, 129.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 40 + HZ PHE 40 OK 100 100 - 100 Peak 4577 from aronoe.peaks (4.82, 7.20, 133.94 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.84: * HA TYR 67 + QD TYR 67 OK 84 100 - 84 - 3.7=73, 3.0/4829=25...(7) HA PHE 96 - QD TYR 67 lone 9 93 - 9 - 1095/4.5=3, 3687/2.6=2...(4) HA ASP 97 - QD TYR 67 lone 3 80 - 4 - 1095/4.5=1 Peak 4578 from aronoe.peaks (2.84, 7.20, 133.94 ppm; 2.91 A): 2 out of 10 assignments used, quality = 1.00: * HB2 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 HB3 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 HB3 PHE 107 - QD TYR 67 OK 34 99 - 35 - 1.8/4833=5, 4840=5...(15) HB2 ASN 79 - QD TYR 67 OK 29 99 - 29 - 3.5/4816=4, 1.8/4685=4...(13) HB2 ASN 99 - QD TYR 67 OK 14 100 - 14 - ~4695=2, 4840=2...(6) HB2 CYS 76 - QD TYR 67 lone 5 87 - 6 - HB2 ASP 36 - QD TYR 67 lone 5 100 - 5 - HG CYS 52 - QD TYR 67 lone 4 92 - 4 - HE3 LYS 119 - QD TYR 67 lone 1 71 - 1 - HE2 LYS 119 - QD TYR 67 lone 1 68 - 1 - Peak 4579 from aronoe.peaks (2.83, 7.20, 133.94 ppm; 2.91 A): 2 out of 10 assignments used, quality = 1.00: HB2 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 * HB3 TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.6=100 HB3 PHE 107 - QD TYR 67 OK 34 97 - 35 - 1.8/4833=5, 4840=5...(15) HB2 ASN 79 - QD TYR 67 OK 29 98 - 29 - 3.5/4816=4, 1.8/4685=4...(13) HB2 ASN 99 - QD TYR 67 OK 14 99 - 14 - ~4695=2, 4840=2...(6) HB2 CYS 76 - QD TYR 67 lone 5 92 - 6 - HB2 ASP 36 - QD TYR 67 lone 5 99 - 5 - HG CYS 52 - QD TYR 67 lone 3 87 - 4 - HE3 LYS 119 - QD TYR 67 lone 1 63 - 1 - HE2 LYS 119 - QD TYR 67 lone 1 60 - 1 - Peak 4580 from aronoe.peaks (7.20, 7.20, 133.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 67 + QD TYR 67 OK 100 100 - 100 Peak 4581 from aronoe.peaks (6.79, 7.20, 133.94 ppm; 2.64 A): 1 out of 5 assignments used, quality = 1.00: * QE TYR 67 + QD TYR 67 OK 100 100 - 100 - 2.2=100 H VAL 110 - QD TYR 67 OK 13 100 - 13 - 4.0/7855=2, 4.0/7858=2...(5) HH2 TRP 20 - QD TYR 67 lone 7 100 - 7 - HE21 GLN 42 - QD TYR 67 lone 7 73 - 10 - 3.5/6780=2, 4.4/6774=1...(4) HD22 ASN 99 - QD TYR 67 lone 7 68 - 10 - Peak 4582 from aronoe.peaks (7.20, 6.79, 117.59 ppm; 2.55 A): 1 out of 6 assignments used, quality = 1.00: * QD TYR 67 + QE TYR 67 OK 100 100 - 100 - 2.2=100 QD PHE 107 - QE TYR 67 OK 24 97 - 24 - 3.7/6193=3, 2.4/4694=2...(12) H LYS 65 - QE TYR 67 OK 17 90 - 19 - 3.0/4683=4, 4.9/4700=2...(7) QD TYR 102 - QE TYR 67 lone 4 71 - 6 - QE PHE 40 - QE TYR 67 lone 2 78 - 3 - HE ARG 81 - QE TYR 67 lone 2 90 - 2 - Peak 4583 from aronoe.peaks (6.79, 6.79, 117.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 67 + QE TYR 67 OK 100 100 - 100 Peak 4596 from aronoe.peaks (4.82, 7.28, 133.89 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.99: * HA PHE 96 + QD PHE 96 OK 98 98 - 100 - 3.7=100 HA ASP 97 + QD PHE 96 OK 46 68 - 68 - 3.0/4702=17, ~478=13...(12) HA TYR 67 - QD PHE 96 OK 31 100 - 31 - 4562/2.4=8, 4569/2.4=8...(8) Peak 4597 from aronoe.peaks (3.51, 7.28, 133.89 ppm; 3.61 A): 2 out of 5 assignments used, quality = 0.99: * HB2 PHE 96 + QD PHE 96 OK 99 99 - 100 - 2.4=100 HA LEU 84 + QD PHE 96 OK 46 99 - 47 - 3.9/7478=9, 3.9/4713=7...(17) HB2 PHE 83 - QD PHE 96 OK 19 99 - 20 - 4570/2.4=3, 3.0/4707=3...(8) HB3 SER 44 - QD PHE 96 lone 4 96 - 4 - HA VAL 18 - QD PHE 96 lone 3 60 - 4 - 3.2/4712=1 Peak 4598 from aronoe.peaks (2.94, 7.28, 133.89 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 96 + QD PHE 96 OK 100 100 - 100 - 2.4=100 HE3 LYS 32 - QD PHE 96 OK 13 95 - 13 - 4564/2.4=3, 3.8/4711=2...(6) HE2 LYS 32 - QD PHE 96 OK 13 94 - 13 - 4564/2.4=3, 3.8/4711=2...(6) HG3 GLU 82 - QD PHE 96 poor 10 95 - 10 - 4564/2.4=2, ~4183=1...(4) Peak 4599 from aronoe.peaks (7.28, 7.28, 133.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 96 + QD PHE 96 OK 100 100 - 100 Peak 4600 from aronoe.peaks (7.24, 7.28, 133.89 ppm; 2.45 A): 1 out of 7 assignments used, quality = 1.00: * QE PHE 96 + QD PHE 96 OK 100 100 - 100 - 2.2=100 H VAL 26 - QD PHE 96 OK 10 99 - 10 - HE ARG 57 - QD PHE 96 poor 10 83 - 12 - 2.9/4819=2, 2.9/7045=1 QE PHE 40 - QD PHE 96 poor 9 76 - 12 - 2.2/4570=2, 2767=2 QD TYR 102 - QD PHE 96 lone 6 83 - 7 - 2.5/4818=2 H LYS 65 - QD PHE 96 lone 3 60 - 5 - 3.0/4708=1 HE ARG 71 - QD PHE 96 lone 3 96 - 3 - Peak 4601 from aronoe.peaks (7.08, 7.28, 133.89 ppm; 3.50 A): 2 out of 4 assignments used, quality = 0.86: * HZ PHE 96 + QD PHE 96 OK 84 100 - 84 - 3.8=78, 4734/4715=7...(11) H LEU 93 + QD PHE 96 OK 12 96 - 13 - 4604/2.2=3, 7860/4715=1 HE ARG 92 - QD PHE 96 lone 2 68 - 3 - HD2 HIS 10 - QD PHE 96 lone 1 71 - 1 - Peak 4602 from aronoe.peaks (7.28, 7.24, 130.77 ppm; 2.56 A): 1 out of 13 assignments used, quality = 1.00: * QD PHE 96 + QE PHE 96 OK 100 100 - 100 - 2.2=100 HZ PHE 40 - QE PHE 40 OK 39 39 - 100 - 2.2=100 HE ARG 57 - QE PHE 96 OK 13 96 - 13 - 2.9/7047=2, ~4819=2...(4) H VAL 26 - QE PHE 96 OK 11 71 - 16 - 4.0/4725=2, 4.0/4725=2...(6) QD PHE 96 - QE PHE 40 poor 7 52 - 12 - 4600=3, 4570/2.2=2 HZ PHE 40 - QE PHE 96 lone 5 85 - 6 - 4575=1 HE ARG 71 - QE PHE 96 lone 2 83 - 2 - QE PHE 96 - QE PHE 40 lone 2 25 - 7 - 2.2/4600=2, 2.2/4606=1...(4) HD1 TRP 20 - QE PHE 96 lone 1 96 - 1 - H VAL 26 - QE PHE 40 lone 1 31 - 3 - HD1 TRP 20 - QE PHE 40 lone 1 48 - 1 - HE ARG 71 - QE PHE 40 lone 0 37 - 1 - HE ARG 57 - QE PHE 40 lone 0 48 - 1 - Peak 4603 from aronoe.peaks (7.24, 7.24, 130.77 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QE PHE 96 + QE PHE 96 OK 100 100 - 100 QE PHE 40 - QE PHE 40 OK 33 33 - 100 Peak 4604 from aronoe.peaks (7.08, 7.24, 130.77 ppm; 2.87 A): 1 out of 8 assignments used, quality = 1.00: * HZ PHE 96 + QE PHE 96 OK 100 100 - 100 - 2.2=100 H LEU 93 - QE PHE 96 lone 10 96 - 10 - 4601/2.2=3, ~4470=1 HZ PHE 96 - QE PHE 40 poor 6 53 - 12 - 4606=3, ~2775=1...(4) HE ARG 92 - QE PHE 96 lone 1 68 - 2 - H LEU 93 - QE PHE 40 lone 1 48 - 2 - HD2 HIS 10 - QE PHE 96 lone 0 71 - 0 - HE ARG 92 - QE PHE 40 lone 0 29 - 1 - HD2 HIS 10 - QE PHE 40 lone 0 31 - 0 - Peak 4606 from aronoe.peaks (7.24, 7.08, 129.00 ppm; 2.85 A): 1 out of 8 assignments used, quality = 1.00: * QE PHE 96 + HZ PHE 96 OK 100 100 - 100 - 2.2=100 QD PHE 96 - HZ PHE 96 OK 30 60 - 50 - 3.8=42, ~4567=3, ~4574=3...(5) H VAL 26 - HZ PHE 96 OK 13 99 - 13 - 4.0/4732=4, 4.0/4732=3...(4) QE PHE 40 - HZ PHE 96 OK 10 76 - 13 - 4604=3, 2767/3.8=1...(4) HE ARG 57 - HZ PHE 96 lone 6 83 - 7 - ~7047=1, 4600/3.8=1, ~7045=1 QD TYR 102 - HZ PHE 96 lone 6 83 - 7 - HE ARG 71 - HZ PHE 96 lone 2 97 - 2 - H LYS 65 - HZ PHE 96 lone 2 60 - 3 - Peak 4607 from aronoe.peaks (7.08, 7.08, 129.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 96 + HZ PHE 96 OK 100 100 - 100 Peak 4608 from aronoe.peaks (4.04, 7.22, 133.31 ppm; 3.27 A): 3 out of 8 assignments used, quality = 0.89: * HA TYR 102 + QD TYR 102 OK 80 97 - 83 - 3.7=67, 3.6/4736=12...(12) HA LYS 109 + QD TYR 102 OK 31 90 - 34 - 4699/2.5=4, 4693/2.5=4...(17) HD3 PRO 37 + QD TYR 102 OK 17 99 - 17 - 4.8/4736=3, 4699/2.5=2...(6) HA LEU 55 - QD TYR 102 lone 8 83 - 10 - 4693/2.5=1, 4699/2.5=1 HA GLN 16 - QD TYR 102 lone 7 100 - 7 - 1279/4.5=1, 4693/2.5=1 HA SER 112 - QD TYR 102 lone 5 78 - 6 - ~1753=1 HA ALA 14 - QD TYR 102 lone 4 92 - 5 - HA PHE 107 - QD TYR 102 lone 3 57 - 6 - Peak 4609 from aronoe.peaks (3.04, 7.22, 133.31 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.5=100 HE3 LYS 109 - QD TYR 102 OK 35 92 - 38 - 1.8/4610=4, 4688/3.7=4...(16) HE2 LYS 109 - QD TYR 102 OK 35 92 - 38 - 1.8/4610=4, 4688/3.7=4...(16) HD2 ARG 85 - QD TYR 102 lone 8 100 - 8 - 4688/3.7=1 Peak 4610 from aronoe.peaks (3.00, 7.22, 133.31 ppm; 3.17 A): 1 out of 7 assignments used, quality = 1.00: * HB3 TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.5=100 HA VAL 110 - QD TYR 102 OK 25 92 - 28 - 3.5/4735=4, 3.0/4744=3...(14) HE2 LYS 109 - QD TYR 102 OK 22 63 - 36 - 1.8/4609=6, 4695/2.5=3...(16) HE3 LYS 109 - QD TYR 102 OK 22 63 - 36 - 1.8/4609=6, 4695/2.5=3...(16) HB2 ASN 12 - QD TYR 102 OK 11 93 - 12 - 4695/2.5=2, 1281/4.5=2...(5) HE2 LYS 31 - QD TYR 102 lone 3 65 - 5 - HE3 LYS 31 - QD TYR 102 lone 3 65 - 5 - Peak 4611 from aronoe.peaks (7.22, 7.22, 133.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + QD TYR 102 OK 100 100 - 100 Peak 4612 from aronoe.peaks (6.87, 7.22, 133.31 ppm; 2.74 A): 1 out of 5 assignments used, quality = 1.00: * QE TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.2=100 HE22 GLN 103 - QD TYR 102 OK 23 65 - 35 - 1.7/4735=9, 3.5/4740=7...(10) H LYS 46 - QD TYR 102 OK 14 63 - 22 - 2.9/6853=4, 5.1/4820=3...(9) HZ3 TRP 20 - QD TYR 102 lone 4 73 - 6 - HE22 GLN 105 - QD TYR 102 lone 1 81 - 1 - Peak 4613 from aronoe.peaks (7.22, 6.87, 117.78 ppm; 2.65 A): 1 out of 6 assignments used, quality = 1.00: * QD TYR 102 + QE TYR 102 OK 100 100 - 100 - 2.2=100 H LYS 65 - QE TYR 102 OK 13 99 - 13 - 4.0/4823=1, 4.0/4823=1...(6) QE PHE 40 - QE TYR 102 lone 10 100 - 10 - ~2775=1, 4703/4.4=1...(5) QD TYR 67 - QE TYR 102 lone 6 78 - 7 - 2.6/4752=1, 2.6/4752=1 QE PHE 96 - QE TYR 102 lone 4 76 - 5 - H VAL 26 - QE TYR 102 lone 2 65 - 2 - Peak 4614 from aronoe.peaks (6.87, 6.87, 117.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 102 + QE TYR 102 OK 100 100 - 100 Peak 4615 from aronoe.peaks (4.01, 7.19, 131.77 ppm; 3.13 A): 4 out of 6 assignments used, quality = 0.91: * HA PHE 107 + QD PHE 107 OK 80 100 - 80 - 3.7=59, 3.0/4765=12...(13) HA ALA 14 + QD PHE 107 OK 30 92 - 33 - ~6316=6, 3.0/4764=4...(11) HA ARG 81 + QD PHE 107 OK 26 93 - 28 - 4828/2.4=4, 4771/2.2=4...(13) HA LEU 117 + QD PHE 107 OK 16 85 - 19 - 4771/2.2=3, 3.0/4800=2...(6) HA THR 62 - QD PHE 107 lone 6 96 - 6 - HA GLN 16 - QD PHE 107 lone 3 68 - 4 - Peak 4616 from aronoe.peaks (3.11, 7.19, 131.77 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * HB2 PHE 107 + QD PHE 107 OK 100 100 - 100 - 2.4=100 HD3 ARG 81 - QD PHE 107 OK 35 85 - 41 - 1.8/4813=6, ~4784=4...(18) HB3 ASP 100 - QD PHE 107 OK 23 100 - 23 - 8150/4812=5, 4.3/4860=4...(11) HB3 CYS 52 - QD PHE 107 OK 19 100 - 20 - 6955/2.4=3, ~3116=2...(11) HB3 CYS 76 - QD PHE 107 OK 17 100 - 17 - 3988/2.4=2, ~3985=2...(8) HD3 ARG 53 - QD PHE 107 OK 15 90 - 16 - 1311/4.5=2, 1.8/4813=2...(7) HD3 ARG 57 - QD PHE 107 OK 12 95 - 13 - 4785/2.2=1, 3.5/4801=1...(4) HB3 HIS 10 - QD PHE 107 lone 1 68 - 1 - Peak 4617 from aronoe.peaks (2.84, 7.19, 131.77 ppm; 3.17 A): 1 out of 10 assignments used, quality = 1.00: * HB3 PHE 107 + QD PHE 107 OK 100 100 - 100 - 2.4=100 HB2 TYR 67 - QD PHE 107 OK 41 100 - 41 - 4830/2.4=4, 3691=3...(22) HB3 TYR 67 - QD PHE 107 OK 41 100 - 41 - 4830/2.4=4, 3697=3...(22) HB2 ASN 99 - QD PHE 107 OK 31 100 - 31 - 4840=4, 4830/2.4=4...(15) HB2 CYS 76 - QD PHE 107 OK 12 76 - 16 - 1.8/4616=3, 3985/2.4=2...(7) HG CYS 52 - QD PHE 107 OK 12 97 - 12 - 3.4/4616=2, 4830/2.4=2...(5) HB2 ASN 79 - QD PHE 107 OK 10 100 - 10 - HB2 ASP 36 - QD PHE 107 lone 3 100 - 3 - HE3 LYS 119 - QD PHE 107 lone 1 83 - 2 - HE2 LYS 119 - QD PHE 107 lone 1 81 - 2 - Peak 4618 from aronoe.peaks (7.19, 7.19, 131.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 107 + QD PHE 107 OK 100 100 - 100 Peak 4619 from aronoe.peaks (6.99, 7.19, 131.77 ppm; 2.56 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 107 + QD PHE 107 OK 100 100 - 100 - 2.2=100 H LEU 101 - QD PHE 107 OK 25 89 - 28 - 3.0/4772=5, 4.7/8152=4...(11) HD22 ASN 108 - QD PHE 107 OK 13 93 - 14 - 1321/4.5=2, 4825/3.7=2...(5) HD22 ASN 12 - QD PHE 107 lone 2 57 - 3 - Peak 4620 from aronoe.peaks (6.75, 7.19, 131.77 ppm; 3.42 A): 4 out of 4 assignments used, quality = 0.94: * HZ PHE 107 + QD PHE 107 OK 83 100 - 83 - 3.8=73, ~4839=5, ~4786=4...(12) HE21 GLN 42 + QD PHE 107 OK 37 97 - 38 - 4623/2.2=7, 3.5/6780=7...(9) HD22 ASN 99 + QD PHE 107 OK 24 99 - 25 - 4852/2.2=4, 679/2.4=4...(10) H LEU 27 + QD PHE 107 OK 24 100 - 24 - 4623/2.2=5, 4.1/4810=3...(8) Peak 4621 from aronoe.peaks (7.19, 6.99, 129.89 ppm; 2.63 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 107 + QE PHE 107 OK 100 100 - 100 - 2.2=100 QD TYR 67 - QE PHE 107 OK 23 96 - 24 - 4624/2.2=2, 4833/4.4=2...(9) HE ARG 81 - QE PHE 107 OK 23 99 - 23 - 2.9/4784=3, 4624/2.2=3...(10) H LYS 65 - QE PHE 107 poor 9 68 - 13 - 4.6/7159=4 Peak 4622 from aronoe.peaks (6.99, 6.99, 129.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 107 + QE PHE 107 OK 100 100 - 100 Peak 4623 from aronoe.peaks (6.75, 6.99, 129.89 ppm; 2.71 A): 1 out of 4 assignments used, quality = 1.00: * HZ PHE 107 + QE PHE 107 OK 100 100 - 100 - 2.2=100 HE21 GLN 42 - QE PHE 107 OK 28 97 - 29 - 3.5/6779=5, 4620/2.2=4...(8) H LEU 27 - QE PHE 107 OK 19 100 - 19 - 4620/2.2=3, 4.1/4797=2...(6) HD22 ASN 99 - QE PHE 107 OK 15 99 - 15 - 4620/2.2=3, 4.4/6178=2...(4) Peak 4624 from aronoe.peaks (7.19, 6.75, 127.42 ppm; 3.67 A): 1 out of 4 assignments used, quality = 0.94: * QD PHE 107 + HZ PHE 107 OK 94 100 - 94 - 3.8=90, ~4839=6, ~4786=5...(14) HE ARG 81 - HZ PHE 107 OK 29 99 - 29 - 4854/2.2=7, 2.9/4770=5...(8) QD TYR 67 - HZ PHE 107 OK 23 95 - 24 - 4854/2.2=7, 4833/5.8=3...(6) H LYS 65 - HZ PHE 107 poor 7 68 - 10 - 4854/2.2=3 Peak 4625 from aronoe.peaks (6.99, 6.75, 127.42 ppm; 2.77 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 107 + HZ PHE 107 OK 100 100 - 100 - 2.2=100 H LEU 101 - HZ PHE 107 OK 16 88 - 18 - 4860/3.8=3, 4.7/7722=2...(6) HD22 ASN 108 - HZ PHE 107 poor 10 93 - 11 - 4860/3.8=2 HD22 ASN 12 - HZ PHE 107 lone 1 57 - 2 - Peak 4626 from aronoe.peaks (6.75, 6.75, 127.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 107 + HZ PHE 107 OK 100 100 - 100 Peak 4627 from aronoe.peaks (1.45, 7.28, 127.00 ppm; 4.05 A): 3 out of 16 assignments used, quality = 0.92: HG LEU 24 + HD1 TRP 20 OK 87 100 - 87 - 2.1/4630=38, 8201/2.6=23...(11) HB3 LEU 45 + HD1 TRP 20 OK 29 100 - 29 - 3.0/4532=8, 3.1/4629=5...(9) HD2 LYS 46 + HD1 TRP 20 OK 10 95 - 11 - 2.9/4628=2, 2.9/4628=2...(5) HB3 LEU 101 - HD1 TRP 20 lone 9 99 - 9 - 3.0/4631=2, 6551/2.6=1 HB3 GLU 75 - HD1 TRP 20 lone 8 100 - 8 - 5721/5.1=2, 4.3/7926=2 HB3 LEU 91 - HD1 TRP 20 lone 7 88 - 8 - 3.0/4631=2, 8026/4634=1 HG3 ARG 57 - HD1 TRP 20 lone 6 80 - 7 - 2233/4630=2, 7039/4629=1 HB2 LEU 51 - HD1 TRP 20 lone 6 67 - 9 - ~8388=2, 6551/2.6=1, 8026/4634=1 HD3 LYS 65 - HD1 TRP 20 lone 6 100 - 5 - 6551/2.6=1 HD2 LYS 65 - HD1 TRP 20 lone 6 100 - 5 - 6551/2.6=1 HG2 LYS 119 - HD1 TRP 20 lone 4 93 - 4 - 1.8/4628=1 QB ALA 89 - HD1 TRP 20 lone 4 99 - 4 - QB ALA 14 - HD1 TRP 20 lone 3 84 - 3 - QB ALA 98 - HD1 TRP 20 lone 2 75 - 3 - HB2 LEU 93 - HD1 TRP 20 lone 2 84 - 2 - HG3 LYS 31 - HD1 TRP 20 lone 2 88 - 2 - Peak 4628 from aronoe.peaks (1.30, 7.28, 127.00 ppm; 4.49 A): 5 out of 8 assignments used, quality = 0.82: QG2 THR 23 + HD1 TRP 20 OK 67 93 - 73 - 6449=36, 2.1/4631=19...(12) QG2 THR 17 + HD1 TRP 20 OK 24 67 - 35 - 8459/3.9=11, 6344/5.1=10...(7) HG3 LYS 46 + HD1 TRP 20 OK 10 67 - 15 - 4640/5.1=3, 4643/6.6=3...(6) HG2 LYS 46 + HD1 TRP 20 OK 10 67 - 15 - 4640/5.1=3, 4643/6.6=3...(6) HG LEU 54 + HD1 TRP 20 OK 10 78 - 13 - 4660/6.6=7, 8205/4630=2...(4) HB3 LEU 84 - HD1 TRP 20 lone 7 99 - 7 - HG3 LYS 119 - HD1 TRP 20 lone 6 88 - 6 - HG CYS 87 - HD1 TRP 20 lone 3 97 - 3 - Peak 4629 from aronoe.peaks (0.65, 7.28, 127.00 ppm; 4.10 A): 4 out of 5 assignments used, quality = 0.92: QD2 LEU 24 + HD1 TRP 20 OK 81 91 - 89 - 2.1/4630=39, 8202/2.6=31...(14) QD1 LEU 21 + HD1 TRP 20 OK 34 99 - 34 - 2.1/6395=6, 6386/2.6=5...(10) QD1 LEU 45 + HD1 TRP 20 OK 28 100 - 28 - 4.0/4532=6, 3.1/4627=5...(9) QG2 VAL 26 + HD1 TRP 20 OK 11 75 - 14 - 8214/4630=10 QD1 LEU 51 - HD1 TRP 20 lone 3 67 - 5 - 3.1/6381=1 Peak 4630 from aronoe.peaks (0.05, 7.28, 127.00 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.84: QD1 LEU 24 + HD1 TRP 20 OK 84 99 - 86 - 6387/2.6=31, 6476=27...(15) Peak 4631 from aronoe.peaks (4.51, 7.28, 127.00 ppm; 4.26 A): 2 out of 7 assignments used, quality = 0.58: HB THR 23 + HD1 TRP 20 OK 44 99 - 45 - 2.1/6449=27, 5986/4.5=18 HA PRO 30 + HD1 TRP 20 OK 26 99 - 26 - 3.6/6589=7, 2.3/6583=5...(5) HA LEU 101 - HD1 TRP 20 lone 6 90 - 6 - 3.0/4627=2 HA LEU 91 - HD1 TRP 20 lone 6 100 - 5 - 3.0/6381=1 HA ARG 71 - HD1 TRP 20 lone 3 73 - 5 - 4.7/2051=1 HA PRO 70 - HD1 TRP 20 lone 3 73 - 4 - 4.8/4532=3 HA LEU 27 - HD1 TRP 20 lone 3 62 - 4 - ~6385=1 Peak 4632 from aronoe.peaks (8.26, 7.28, 127.00 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.81: H TRP 20 + HD1 TRP 20 OK 76 84 - 90 - 5.6=59, 3.0/2022=32...(7) H GLU 69 + HD1 TRP 20 OK 21 100 - 21 - 3.0/4532=6, 2018/4.5=5...(5) H VAL 49 - HD1 TRP 20 lone 5 99 - 5 - 6896/7997=1 Peak 4634 from aronoe.peaks (5.52, 7.28, 127.00 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.72: HD21 ASN 118 + HD1 TRP 20 OK 72 99 - 73 - 1.7/4635=39, 8139/2.6=27...(4) Peak 4635 from aronoe.peaks (6.13, 7.28, 127.00 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.83: HD22 ASN 118 + HD1 TRP 20 OK 83 100 - 83 - 1.7/4634=40, 8140/2.6=27...(7) Peak 4636 from aronoe.peaks (6.79, 7.54, 120.47 ppm; 4.17 A): 3 out of 3 assignments used, quality = 0.95: HH2 TRP 20 + HE3 TRP 20 OK 94 99 - 94 - 4.3=93, ~4556=14...(4) QE TYR 67 + HE3 TRP 20 OK 11 98 - 11 - 2077/2.5=4, 2087/5.0=2 H VAL 110 + HE3 TRP 20 OK 11 98 - 11 - 2077/2.5=4, 2087/5.0=3 Peak 4637 from aronoe.peaks (4.23, 7.54, 120.47 ppm; 4.73 A): 5 out of 12 assignments used, quality = 0.85: HA THR 17 + HE3 TRP 20 OK 69 99 - 70 - 3.2/6344=24, 6343=19...(9) HB THR 19 + HE3 TRP 20 OK 25 88 - 28 - 4.4/836=17, 5970/4.2=6 HA CYS 52 + HE3 TRP 20 OK 15 95 - 16 - 5970/4.2=2, 5968/4.2=2...(5) HA ILE 22 + HE3 TRP 20 OK 13 86 - 15 - 5968/4.2=4, 5970/4.2=4...(6) HA VAL 66 + HE3 TRP 20 OK 11 84 - 13 - 3.2/4641=4, ~4646=2...(4) HA VAL 26 - HE3 TRP 20 lone 9 94 - 10 - 5970/4.2=1, 6418/6394=1...(4) HA LEU 58 - HE3 TRP 20 lone 7 78 - 9 - ~4821=4, 53/6.0=1 HA3 GLY 48 - HE3 TRP 20 lone 5 90 - 5 - 53/6.0=1, 5970/4.2=1 HA ALA 89 - HE3 TRP 20 lone 4 96 - 4 - 5968/4.2=1 HA SER 13 - HE3 TRP 20 lone 4 86 - 4 - HA GLU 64 - HE3 TRP 20 lone 2 63 - 3 - HA LEU 126 - HE3 TRP 20 lone 1 71 - 2 - Peak 4638 from aronoe.peaks (3.71, 7.54, 120.47 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.99: HB2 TRP 20 + HE3 TRP 20 OK 99 99 - 100 - 4.2=100 HD3 PRO 30 - HE3 TRP 20 OK 17 82 - 21 - 2040/4.2=6, 6589/5.1=6...(4) HA3 GLY 86 - HE3 TRP 20 OK 12 94 - 13 - 2040/4.2=3, 2020/5.1=2...(6) HA2 GLY 104 - HE3 TRP 20 lone 7 98 - 7 - 2040/4.2=2, 2020/5.1=1 HB3 SER 90 - HE3 TRP 20 lone 2 71 - 2 - Peak 4639 from aronoe.peaks (3.20, 7.54, 120.47 ppm; 4.59 A): 2 out of 7 assignments used, quality = 0.75: HB3 TRP 20 + HE3 TRP 20 OK 71 71 - 100 - 4.2=100 HA GLN 42 + HE3 TRP 20 OK 12 92 - 13 - 2031/4.2=3, 2021/5.1=2...(5) HB3 PHE 83 - HE3 TRP 20 lone 6 96 - 6 - 2031/4.2=1 HD2 ARG 71 - HE3 TRP 20 lone 5 78 - 7 - 2031/4.2=2, 2021/5.1=1 HD2 ARG 81 - HE3 TRP 20 lone 4 99 - 4 - HD3 ARG 71 - HE3 TRP 20 lone 2 91 - 2 - HD2 ARG 53 - HE3 TRP 20 lone 1 71 - 2 - Peak 4640 from aronoe.peaks (1.32, 7.54, 120.47 ppm; 4.27 A): 5 out of 9 assignments used, quality = 0.92: QG2 THR 17 + HE3 TRP 20 OK 65 97 - 67 - 6344=29, 6345/2.5=19...(10) QG2 THR 23 + HE3 TRP 20 OK 41 99 - 41 - 6449/5.1=15, 8199/5.1=10...(9) HG3 LYS 46 + HE3 TRP 20 OK 34 97 - 35 - 4643/2.5=7, ~4643=5...(14) HG2 LYS 46 + HE3 TRP 20 OK 34 97 - 35 - 4643/2.5=7, ~4643=5...(14) QB ALA 43 + HE3 TRP 20 OK 12 92 - 12 - 6814/2.5=5, ~6812=3...(4) HB3 LEU 84 - HE3 TRP 20 lone 6 95 - 6 - 6413/6394=1, 4643/2.5=1 HG3 LYS 119 - HE3 TRP 20 lone 4 99 - 4 - HG CYS 87 - HE3 TRP 20 lone 3 97 - 3 - HB3 LEU 59 - HE3 TRP 20 lone 3 68 - 4 - ~4645=1, ~6553=1 Peak 4641 from aronoe.peaks (0.68, 7.54, 120.47 ppm; 4.69 A): 5 out of 5 assignments used, quality = 0.81: QD2 LEU 54 + HE3 TRP 20 OK 47 73 - 64 - 2.1/4642=17, ~4647=14...(10) QD2 LEU 24 + HE3 TRP 20 OK 35 78 - 44 - 8202/5.3=19, 6556/5.0=10...(9) HG3 GLU 75 + HE3 TRP 20 OK 21 82 - 25 - 3.0/5720=4, 4646/2.5=4...(8) QD1 LEU 77 + HE3 TRP 20 OK 17 98 - 17 - 7340/2.5=4, 4.7/362=3...(6) QG1 VAL 66 + HE3 TRP 20 OK 15 94 - 16 - 4646/2.5=3, 2.1/7197=2...(5) Peak 4642 from aronoe.peaks (0.23, 7.54, 120.47 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.88: QD2 LEU 21 + HE3 TRP 20 OK 70 99 - 71 - 6394=28, 6396/2.5=25...(10) QD1 LEU 54 + HE3 TRP 20 OK 59 82 - 72 - 6977/5.0=20, 6979/2.5=16...(13) Peak 4643 from aronoe.peaks (1.32, 6.89, 120.48 ppm; 4.42 A): 5 out of 8 assignments used, quality = 0.94: QG2 THR 17 + HZ3 TRP 20 OK 60 92 - 65 - 6345=27, 6344/2.5=24...(9) HG2 LYS 46 + HZ3 TRP 20 OK 47 92 - 51 - 4640/2.5=6, 2.9/2939=6...(18) HG3 LYS 46 + HZ3 TRP 20 OK 47 92 - 51 - 4640/2.5=6, 2.9/2939=6...(18) QG2 THR 23 + HZ3 TRP 20 OK 34 99 - 34 - 6449/6.6=10, 4640/2.5=7...(8) QB ALA 43 + HZ3 TRP 20 OK 19 83 - 23 - 6814=5, 2.1/6812=5...(5) HB3 LEU 84 - HZ3 TRP 20 lone 8 99 - 8 - 6413/6396=1, 4640/2.5=1 HG3 LYS 119 - HZ3 TRP 20 lone 6 99 - 6 - HG CYS 87 - HZ3 TRP 20 lone 4 99 - 4 - Peak 4644 from aronoe.peaks (1.16, 6.89, 120.48 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.83: HB3 LEU 54 + HZ3 TRP 20 OK 69 98 - 70 - 3.1/4647=18, ~4665=15...(12) QD2 LEU 117 + HZ3 TRP 20 OK 44 61 - 72 - 7999=20, 8000/2.4=18...(14) QG2 VAL 50 - HZ3 TRP 20 lone 5 61 - 8 - 8281/4647=2, 6391/2.4=2 Peak 4645 from aronoe.peaks (0.85, 6.89, 120.48 ppm; 4.43 A): 2 out of 10 assignments used, quality = 0.76: QD2 LEU 114 + HZ3 TRP 20 OK 72 99 - 73 - 7949=24, 7950/2.4=15...(14) HG13 ILE 80 + HZ3 TRP 20 OK 12 89 - 14 - 2.1/7399=5, ~4660=2...(5) QD1 LEU 59 - HZ3 TRP 20 lone 9 95 - 9 - 4663/2.4=2, 4656/4.3=2 QD2 LEU 55 - HZ3 TRP 20 lone 8 99 - 8 - 4663/2.4=2, 6411/6396=1 QD1 LEU 93 - HZ3 TRP 20 poor 8 72 - 12 - 4663/2.4=3, 4656/4.3=2...(4) QG1 VAL 115 - HZ3 TRP 20 lone 7 74 - 9 - 4663/2.4=2, 7964/6345=1 HG13 ILE 22 - HZ3 TRP 20 lone 6 90 - 7 - 6411/6396=2, 4656/4.3=1 QG1 VAL 49 - HZ3 TRP 20 lone 4 58 - 6 - 8493/7999=2 QD2 LEU 59 - HZ3 TRP 20 lone 2 58 - 4 - ~4663=2 QD2 LEU 126 - HZ3 TRP 20 lone 1 83 - 2 - Peak 4646 from aronoe.peaks (0.70, 6.89, 120.48 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.93: QD2 LEU 54 + HZ3 TRP 20 OK 80 99 - 81 - 2.1/4647=19, ~4665=17...(13) QD1 LEU 114 + HZ3 TRP 20 OK 52 76 - 68 - 2.1/7949=21, 3.1/4821=11...(14) HG3 GLU 75 + HZ3 TRP 20 OK 29 99 - 29 - 4664/2.4=6, ~8337=5...(9) QD1 LEU 77 - HZ3 TRP 20 OK 20 93 - 21 - 7340=4, 2.1/7338=3...(6) QG1 VAL 66 - HZ3 TRP 20 OK 19 98 - 19 - 4664/2.4=3, 4641/2.5=3...(7) Peak 4647 from aronoe.peaks (0.21, 6.89, 120.48 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 54 + HZ3 TRP 20 OK 90 99 - 91 - 4665/2.4=31, 6977/4.3=31...(14) QD2 LEU 21 + HZ3 TRP 20 OK 53 76 - 70 - 6396=24, 6394/2.5=20...(13) Peak 4648 from aronoe.peaks (3.55, 7.33, 114.08 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.75: HA ASN 118 + HZ2 TRP 20 OK 70 100 - 70 - 8019=43, 8018/2.5=17...(11) HA LEU 51 + HZ2 TRP 20 OK 18 97 - 19 - 8424/6977=6, 4657/2.5=5...(5) HD2 PRO 60 - HZ2 TRP 20 lone 8 100 - 8 - 8092/8072=2, 4657/2.5=2...(4) HB2 ASP 47 - HZ2 TRP 20 lone 6 99 - 6 - 8388/2.8=2, 4657/2.5=1 Peak 4649 from aronoe.peaks (1.76, 7.33, 114.08 ppm; 4.09 A): 2 out of 17 assignments used, quality = 0.94: HG LEU 117 + HZ2 TRP 20 OK 77 100 - 77 - 2.1/4651=21, ~4661=17...(16) HB2 LEU 117 + HZ2 TRP 20 OK 73 98 - 74 - 3.1/4651=17, ~4658=15...(17) HB2 GLU 75 - HZ2 TRP 20 OK 24 97 - 25 - 3.0/4653=4, 4659/2.5=4...(9) HB2 LEU 45 - HZ2 TRP 20 OK 18 97 - 18 - ~8387=3, 4.3/4556=3...(7) HB3 LYS 46 - HZ2 TRP 20 OK 13 95 - 13 - 2939/4.3=4, 4.0/4556=3 HG3 PRO 30 - HZ2 TRP 20 OK 12 100 - 12 - 6591=3, 6592/2.5=2...(4) HD3 LYS 109 - HZ2 TRP 20 OK 11 100 - 11 - ~5871=2, 4659/2.5=2...(5) HD2 LYS 109 - HZ2 TRP 20 OK 11 100 - 11 - ~5871=2, 4659/2.5=2...(5) HB VAL 66 - HZ2 TRP 20 lone 8 89 - 10 - 2.1/4653=3, ~4664=2, 4659/2.5=1 HG2 GLN 42 - HZ2 TRP 20 lone 7 100 - 7 - HG3 ARG 71 - HZ2 TRP 20 lone 5 99 - 5 - 6591=1 HG2 ARG 71 - HZ2 TRP 20 lone 4 81 - 4 - HB2 PRO 37 - HZ2 TRP 20 lone 3 78 - 4 - HB2 LEU 91 - HZ2 TRP 20 lone 3 57 - 5 - 3.1/4656=1 HB2 LYS 32 - HZ2 TRP 20 lone 3 78 - 3 - 8089/8072=1 HB3 GLU 56 - HZ2 TRP 20 lone 2 63 - 4 - HB2 ARG 53 - HZ2 TRP 20 lone 1 76 - 1 - Peak 4650 from aronoe.peaks (1.37, 7.33, 114.08 ppm; 4.42 A): 5 out of 8 assignments used, quality = 0.81: QG2 THR 121 + HZ2 TRP 20 OK 61 100 - 61 - 8072=43, 8073/2.5=16...(9) HB2 LEU 27 + HZ2 TRP 20 OK 21 76 - 28 - 3.1/6535=11, 1.8/4652=4...(10) HB VAL 110 + HZ2 TRP 20 OK 19 83 - 23 - 4975/2.5=5, 4.0/2087=5...(7) HB3 LEU 93 + HZ2 TRP 20 OK 13 98 - 13 - 3.1/4656=3, 7062/7049=2...(6) HB2 LEU 111 + HZ2 TRP 20 OK 11 90 - 12 - 7885/2.5=2, 8023/8019=2...(5) HG LEU 59 - HZ2 TRP 20 poor 7 63 - 11 - 2.1/4656=3, ~4663=2...(4) HB3 LEU 59 - HZ2 TRP 20 lone 6 68 - 9 - 3.2/4656=3, 4.8/6393=2, ~4663=1 HG2 LYS 31 - HZ2 TRP 20 lone 5 100 - 5 - 7062/7049=2 Peak 4651 from aronoe.peaks (1.12, 7.33, 114.08 ppm; 4.36 A): 3 out of 4 assignments used, quality = 0.88: QD2 LEU 117 + HZ2 TRP 20 OK 82 97 - 84 - 4661/2.5=31, 7999/4.3=18...(19) QG2 VAL 120 + HZ2 TRP 20 OK 23 100 - 23 - 8087/8072=7, 4661/2.5=6...(4) QG2 VAL 50 + HZ2 TRP 20 OK 16 97 - 17 - 8281/6977=5, 4661/2.5=4...(5) QG2 THR 62 - HZ2 TRP 20 lone 8 90 - 9 - 4661/2.5=2, 8087/8072=1 Peak 4652 from aronoe.peaks (0.99, 7.33, 114.08 ppm; 3.13 A): 4 out of 8 assignments used, quality = 0.87: QD2 LEU 58 + HZ2 TRP 20 OK 60 99 - 60 - 2.1/7049=18, 6353=15...(12) QD1 LEU 58 + HZ2 TRP 20 OK 55 93 - 59 - 7049=19, 2.1/6353=12...(13) QG1 VAL 18 + HZ2 TRP 20 OK 18 100 - 18 - 6353=5, 8504/2.8=4...(5) HB3 LEU 27 + HZ2 TRP 20 OK 14 85 - 17 - 3.1/6535=5, 1.8/4650=3...(7) QD1 LEU 101 - HZ2 TRP 20 lone 9 100 - 9 - 4662/2.5=2, 7721/4.3=1 HG3 LYS 65 - HZ2 TRP 20 lone 6 99 - 6 - 4662/2.5=1 HG2 LYS 65 - HZ2 TRP 20 lone 6 99 - 6 - 4662/2.5=1 QG2 THR 95 - HZ2 TRP 20 lone 1 95 - 1 - Peak 4653 from aronoe.peaks (0.69, 7.33, 114.08 ppm; 4.09 A): 5 out of 5 assignments used, quality = 0.89: QD2 LEU 54 + HZ2 TRP 20 OK 63 89 - 71 - 2.1/6977=34, ~4665=15...(11) QD2 LEU 24 + HZ2 TRP 20 OK 52 65 - 80 - 2.1/4655=36, 8202/2.8=21...(13) HG3 GLU 75 + HZ2 TRP 20 OK 21 95 - 22 - 4664/2.5=4, ~8337=4...(8) QG1 VAL 66 + HZ2 TRP 20 OK 14 99 - 15 - 4664/2.5=2, 4641/5.0=2...(6) QD1 LEU 77 + HZ2 TRP 20 OK 12 100 - 12 - 7340/4.3=2, 4641/5.0=2...(5) Peak 4654 from aronoe.peaks (0.22, 7.33, 114.08 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 54 + HZ2 TRP 20 OK 87 100 - 87 - 6977=46, 4665/2.5=24...(17) QD2 LEU 21 + HZ2 TRP 20 OK 50 89 - 56 - 6415/4655=12...(12) Peak 4655 from aronoe.peaks (0.06, 7.33, 114.08 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.82: QD1 LEU 24 + HZ2 TRP 20 OK 82 100 - 82 - 6387/2.8=33, ~8202=19...(12) Peak 4656 from aronoe.peaks (0.84, 7.33, 114.08 ppm; 4.42 A): 4 out of 9 assignments used, quality = 0.81: HB2 ASN 118 + HZ2 TRP 20 OK 54 83 - 65 - 3.0/8019=37, ~8018=12...(6) QD2 LEU 114 + HZ2 TRP 20 OK 43 97 - 44 - 7950/2.5=15, 7949/4.3=13...(6) QD1 LEU 93 + HZ2 TRP 20 OK 15 95 - 16 - 4663/2.5=4, 3.1/4650=3...(6) QD1 LEU 59 + HZ2 TRP 20 OK 14 100 - 14 - 4663/2.5=3, 2.1/4650=2...(6) HG13 ILE 22 - HZ2 TRP 20 lone 9 100 - 9 - 4663/2.5=2, 4645/4.3=1 QD2 LEU 55 - HZ2 TRP 20 lone 9 99 - 9 - 4663/2.5=2, 4645/4.3=1 QG1 VAL 115 - HZ2 TRP 20 lone 8 96 - 8 - 5174/8019=2, 4663/2.5=2 QD2 LEU 91 - HZ2 TRP 20 poor 7 68 - 10 - 8369/4651=2, 4663/2.5=2...(4) HG13 ILE 80 - HZ2 TRP 20 lone 5 65 - 8 - 4645/4.3=2, ~4660=2...(4) Peak 4657 from aronoe.peaks (3.56, 6.79, 122.83 ppm; 4.21 A): 4 out of 6 assignments used, quality = 0.87: HA ASN 118 + HH2 TRP 20 OK 76 99 - 76 - 8019/2.5=38, 8018=32...(12) HA LEU 51 + HH2 TRP 20 OK 26 100 - 27 - 4648/2.5=7, 8424/4665=7...(7) HA GLU 75 + HH2 TRP 20 OK 16 57 - 27 - 8330=6, 3.6/8337=5...(8) HD2 PRO 60 + HH2 TRP 20 OK 10 100 - 11 - 4648/2.5=3, 6997/4665=2...(5) HB2 ASP 47 - HH2 TRP 20 lone 7 93 - 7 - 4648/2.5=2, 8388/5.0=2 HA2 GLY 48 - HH2 TRP 20 lone 1 65 - 2 - Peak 4658 from aronoe.peaks (2.24, 6.79, 122.83 ppm; 4.15 A): 1 out of 14 assignments used, quality = 0.76: HB3 LEU 117 + HH2 TRP 20 OK 76 99 - 77 - 3.1/4661=25, 7995=17...(14) HB2 PRO 70 - HH2 TRP 20 lone 7 100 - 7 - 5168/4661=1 HB2 PRO 68 - HH2 TRP 20 lone 6 99 - 6 - HG2 GLU 56 - HH2 TRP 20 lone 4 100 - 4 - HG2 GLU 38 - HH2 TRP 20 lone 4 100 - 4 - HG3 GLU 38 - HH2 TRP 20 lone 4 100 - 4 - HB3 PRO 37 - HH2 TRP 20 lone 3 68 - 5 - HG3 GLU 15 - HH2 TRP 20 lone 3 97 - 3 - HB2 CYS 87 - HH2 TRP 20 lone 2 63 - 3 - HG3 GLU 28 - HH2 TRP 20 lone 2 98 - 2 - HG2 GLU 28 - HH2 TRP 20 lone 2 97 - 2 - HG2 GLU 94 - HH2 TRP 20 lone 2 100 - 2 - HG3 GLU 64 - HH2 TRP 20 lone 1 100 - 1 - HG3 GLU 94 - HH2 TRP 20 lone 1 63 - 1 - Peak 4659 from aronoe.peaks (1.77, 6.79, 122.83 ppm; 3.35 A): 7 out of 16 assignments used, quality = 0.95: HB2 LEU 117 + HH2 TRP 20 OK 64 100 - 64 - 3.1/4661=17, 1.8/4658=16...(14) HG LEU 117 + HH2 TRP 20 OK 64 99 - 64 - 2.1/4661=23, 3.0/4658=13...(13) HB2 GLU 75 + HH2 TRP 20 OK 22 99 - 22 - 3.0/8330=4, 3.0/4664=3...(9) HB3 LYS 46 + HH2 TRP 20 OK 20 87 - 23 - 2939/2.4=4, 4.0/2095=3...(9) HD3 LYS 109 + HH2 TRP 20 OK 13 100 - 13 - 3.0/5871=2, 3.9/5868=2...(4) HD2 LYS 109 + HH2 TRP 20 OK 13 99 - 13 - 3.0/5871=2, 3.9/5868=2...(4) HB2 LEU 45 + HH2 TRP 20 OK 12 90 - 13 - 4.3/2095=3, ~5579=2...(5) HG3 PRO 30 - HH2 TRP 20 lone 8 99 - 8 - 6591/2.5=2, 6592=1 HB VAL 66 - HH2 TRP 20 lone 8 78 - 10 - 2.1/4664=2, ~4646=1...(4) HG2 GLN 42 - HH2 TRP 20 lone 5 97 - 5 - HB2 PRO 37 - HH2 TRP 20 lone 4 89 - 4 - HG3 ARG 71 - HH2 TRP 20 lone 3 95 - 3 - HB3 GLU 56 - HH2 TRP 20 lone 2 76 - 3 - HB2 LYS 32 - HH2 TRP 20 lone 2 89 - 2 - HG2 ARG 71 - HH2 TRP 20 lone 2 68 - 3 - HB2 ARG 53 - HH2 TRP 20 lone 1 63 - 1 - Peak 4660 from aronoe.peaks (1.30, 6.79, 122.83 ppm; 4.78 A): 4 out of 8 assignments used, quality = 0.91: HG LEU 54 + HH2 TRP 20 OK 86 95 - 91 - 2.1/4665=31, ~6977=27...(18) QG2 THR 23 + HH2 TRP 20 OK 19 76 - 26 - 6449/6.6=10, 8199/8.2=4...(6) QD1 ILE 80 + HH2 TRP 20 OK 13 65 - 20 - 7399/2.4=3, ~4645=2...(6) QG2 ILE 80 + HH2 TRP 20 OK 10 63 - 17 - ~7399=3, 3209/4665=2...(5) QG2 THR 116 - HH2 TRP 20 lone 6 68 - 8 - 7986/4661=2, 7986/4661=1 HB3 LEU 84 - HH2 TRP 20 lone 5 90 - 6 - HG3 LYS 119 - HH2 TRP 20 lone 3 68 - 4 - HG CYS 87 - HH2 TRP 20 lone 3 85 - 3 - Peak 4661 from aronoe.peaks (1.12, 6.79, 122.83 ppm; 3.40 A): 2 out of 4 assignments used, quality = 0.74: QD2 LEU 117 + HH2 TRP 20 OK 70 97 - 72 - 8000=25, 7999/2.4=15...(18) QG2 VAL 120 + HH2 TRP 20 OK 14 100 - 14 - 4651/2.5=4, 8087/8073=2...(5) QG2 VAL 50 - HH2 TRP 20 lone 9 97 - 10 - 4651/2.5=3, 8281/4665=2 QG2 THR 62 - HH2 TRP 20 lone 5 90 - 6 - 4651/2.5=1 Peak 4662 from aronoe.peaks (0.98, 6.79, 122.83 ppm; 3.61 A): 7 out of 9 assignments used, quality = 0.89: QD2 LEU 58 + HH2 TRP 20 OK 55 97 - 57 - 6353/2.5=16, 2.1/7050=16...(9) QD1 LEU 58 + HH2 TRP 20 OK 51 85 - 60 - 7049/2.5=20, 7050=16...(11) QG1 VAL 18 + HH2 TRP 20 OK 16 100 - 16 - 6353/2.5=6, 8504/5.0=3...(5) QD1 LEU 101 + HH2 TRP 20 OK 14 100 - 14 - 7721/2.4=3, 4652/2.5=2...(4) HB3 LEU 27 + HH2 TRP 20 OK 13 73 - 18 - ~6535=4, 4652/2.5=3...(7) HG3 LYS 65 + HH2 TRP 20 OK 11 100 - 11 - 3.8/8652=2, 2.9/8685=1...(5) HG2 LYS 65 + HH2 TRP 20 OK 11 100 - 11 - 3.8/8652=2, 2.9/8685=1...(5) QG2 THR 95 - HH2 TRP 20 lone 2 99 - 2 - QG2 ILE 124 - HH2 TRP 20 lone 2 71 - 3 - 8115/8073=1 Peak 4663 from aronoe.peaks (0.84, 6.79, 122.83 ppm; 4.03 A): 4 out of 8 assignments used, quality = 0.87: QD2 LEU 114 + HH2 TRP 20 OK 60 92 - 66 - 7949/2.4=16, 7950=13...(14) HB2 ASN 118 + HH2 TRP 20 OK 53 92 - 58 - 3.0/8018=18, ~8019=16...(7) QD1 LEU 93 + HH2 TRP 20 OK 17 99 - 17 - 8378/4661=3, 4656/2.5=3...(7) QD1 LEU 59 + HH2 TRP 20 OK 14 100 - 14 - 4656/2.5=2, 8554/4661=2...(4) QD2 LEU 55 - HH2 TRP 20 lone 9 97 - 9 - 4656/2.5=2, 4645/2.4=1 QG1 VAL 115 - HH2 TRP 20 lone 9 99 - 9 - 4656/2.5=1, 4645/2.4=1 QD2 LEU 91 - HH2 TRP 20 poor 9 81 - 11 - 8369/4661=3, 4656/2.5=1...(4) HG13 ILE 22 - HH2 TRP 20 lone 7 100 - 7 - 4656/2.5=2, 4645/2.4=1 Peak 4664 from aronoe.peaks (0.71, 6.79, 122.83 ppm; 3.66 A): 5 out of 6 assignments used, quality = 0.94: QD2 LEU 54 + HH2 TRP 20 OK 77 100 - 77 - 2.1/4665=21, ~6977=16...(15) QD1 LEU 114 + HH2 TRP 20 OK 50 87 - 57 - 2.1/4663=10, ~7949=9...(14) HG3 GLU 75 + HH2 TRP 20 OK 26 100 - 26 - 1.8/8337=4, 3.6/8330=4...(9) QG1 VAL 66 + HH2 TRP 20 OK 15 97 - 15 - 4646/2.4=2, 8012/4661=2...(5) QD1 LEU 77 + HH2 TRP 20 OK 11 89 - 13 - 4646/2.4=2, 4653/2.5=2...(5) QD2 LEU 111 - HH2 TRP 20 poor 8 65 - 12 - 4.7/560=3, 3.1/7885=1 Peak 4665 from aronoe.peaks (0.21, 6.79, 122.83 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.91: QD1 LEU 54 + HH2 TRP 20 OK 85 100 - 85 - 6977/2.5=29, 6978=27...(19) QD2 LEU 21 + HH2 TRP 20 OK 38 78 - 49 - 6396/2.4=14, 4654/2.5=11...(10) Peak 4666 from aronoe.peaks (1.78, 7.12, 131.20 ppm; 4.53 A): 6 out of 15 assignments used, quality = 0.92: HB2 PRO 37 + QD PHE 40 OK 66 99 - 67 - 2.3/6699=18, ~5998=16...(16) HG3 PRO 30 + QD PHE 40 OK 44 90 - 49 - ~6584=12, ~6586=8...(12) HB2 LYS 32 + QD PHE 40 OK 27 99 - 28 - 3.0/4668=6, 1.8/4667=3...(10) HB2 PRO 60 + QD PHE 40 OK 21 73 - 28 - 3.0/4567=7, ~3465=4...(10) HG2 GLN 42 + QD PHE 40 OK 17 83 - 20 - 3.0/4667=2, ~6780=2...(8) HG LEU 117 + QD PHE 40 OK 11 89 - 12 - 2.1/8409=1, 6594/2.2=1 HB2 LEU 117 - QD PHE 40 lone 10 99 - 10 - 3.1/8409=1 HB2 GLU 75 - QD PHE 40 lone 6 100 - 6 - HB2 LEU 45 - QD PHE 40 lone 6 68 - 9 - 6635/4671=2, 2889/6633=1 HD3 LYS 109 - QD PHE 40 lone 6 93 - 6 - ~7842=1 HG3 ARG 71 - QD PHE 40 lone 6 76 - 7 - HD2 LYS 109 - QD PHE 40 lone 5 89 - 6 - ~7842=1 HB3 LYS 46 - QD PHE 40 lone 5 63 - 8 - ~6853=2 HB3 GLU 56 - QD PHE 40 lone 4 94 - 4 - HB3 ARG 92 - QD PHE 40 lone 2 65 - 3 - Peak 4667 from aronoe.peaks (1.65, 7.12, 131.20 ppm; 4.57 A): 4 out of 10 assignments used, quality = 1.00: HB ILE 34 + QD PHE 40 OK 95 100 - 95 - 2.1/4671=41, ~6740=26...(19) HG LEU 27 + QD PHE 40 OK 69 100 - 69 - 2.1/6533=21, 2.1/8409=14...(21) HB3 LEU 41 + QD PHE 40 OK 63 99 - 64 - 3.1/6769=15, 4.1/167=14...(16) HG LEU 51 + QD PHE 40 OK 50 92 - 54 - 3.0/6938=10, 2.1/4672=10...(17) HB3 LYS 32 - QD PHE 40 OK 34 97 - 34 - 3.0/4668=6, 1.8/4666=5...(14) HB3 GLN 42 - QD PHE 40 OK 30 94 - 31 - 945/4.5=5, 1.8/4669=3...(14) HG3 ARG 85 - QD PHE 40 OK 27 100 - 27 - 3.0/4567=5, 4313/2.5=4...(8) HB2 LEU 59 - QD PHE 40 poor 8 71 - 11 - 4.8/4567=5, 3.2/7004=1 HD2 LYS 31 - QD PHE 40 lone 2 63 - 4 - HD3 LYS 31 - QD PHE 40 lone 2 63 - 4 - Peak 4668 from aronoe.peaks (1.20, 7.12, 131.20 ppm; 3.75 A): 4 out of 5 assignments used, quality = 0.87: QG2 VAL 18 + QD PHE 40 OK 75 99 - 76 - 6351=35, 6350/2.2=16...(16) HB2 LEU 77 + QD PHE 40 OK 25 99 - 26 - 1.8/7002=4, 4814/3.8=3...(9) HG2 LYS 32 + QD PHE 40 OK 20 89 - 23 - 3.0/4666=3, ~4831=3...(9) HB3 LEU 111 + QD PHE 40 OK 14 92 - 15 - ~4830=3, 4814/3.8=1, ~7889=1 HB3 LEU 24 - QD PHE 40 lone 8 83 - 10 - 5994/2.5=1, ~6469=1...(4) Peak 4669 from aronoe.peaks (0.92, 7.12, 131.20 ppm; 3.75 A): 4 out of 13 assignments used, quality = 0.95: QD2 LEU 27 + QD PHE 40 OK 63 99 - 64 - 6533=15, 6534/2.2=14...(17) QD1 LEU 27 + QD PHE 40 OK 61 97 - 63 - 2.1/6533=14, 8409=13...(18) QD1 LEU 41 + QD PHE 40 OK 47 90 - 53 - 2.1/6769=13, 4.3/167=9...(13) QD2 LEU 41 + QD PHE 40 OK 32 65 - 49 - 6769=10, 4.3/167=9...(13) QD1 LEU 55 - QD PHE 40 OK 25 85 - 30 - 2.1/7004=8, 3.1/7002=4...(9) QG2 ILE 22 - QD PHE 40 OK 19 99 - 19 - ~4830=4, ~6425=4...(5) HB2 GLN 42 - QD PHE 40 OK 18 100 - 18 - 948/4.5=2, 1.8/4667=2...(8) QG2 VAL 115 - QD PHE 40 OK 13 99 - 13 - 7978/6351=3, 7976/3.7=2 QD1 ILE 63 - QD PHE 40 OK 12 71 - 16 - 7131=4, 7126/4.5=2...(4) QD1 LEU 117 - QD PHE 40 lone 10 99 - 10 - 8409=1, 2.1/4666=1...(4) QG2 VAL 49 - QD PHE 40 lone 5 100 - 5 - 948/4.5=1 QD1 ILE 124 - QD PHE 40 lone 4 60 - 6 - 947/4.5=1 QD1 LEU 126 - QD PHE 40 lone 3 99 - 3 - Peak 4670 from aronoe.peaks (0.98, 7.12, 131.20 ppm; 3.93 A): 6 out of 9 assignments used, quality = 0.90: QG1 VAL 18 + QD PHE 40 OK 64 99 - 64 - 2.1/6351=28, 6349=19...(8) HB3 LEU 27 + QD PHE 40 OK 30 63 - 49 - 3.1/6533=13, 3.1/8409=9...(13) QD1 LEU 101 + QD PHE 40 OK 30 99 - 30 - 4680/2.2=4, ~7727=3...(13) QD2 LEU 58 + QD PHE 40 OK 22 92 - 24 - 6349=7, 6348/2.2=4...(7) QG2 THR 95 + QD PHE 40 OK 17 100 - 17 - 2.1/7621=5, 7620=4...(4) QD1 LEU 58 + QD PHE 40 OK 15 76 - 20 - 2.1/6349=5, ~6348=2...(6) HG2 LYS 65 - QD PHE 40 lone 10 100 - 10 - 4680/2.2=1, 4.9/2775=1 HG3 LYS 65 - QD PHE 40 lone 10 100 - 10 - 4680/2.2=1, 4.9/2775=1 QG2 ILE 124 - QD PHE 40 lone 6 81 - 7 - Peak 4671 from aronoe.peaks (0.50, 7.12, 131.20 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.96: QG2 ILE 34 + QD PHE 40 OK 96 100 - 96 - 6624=35, 6740/2.5=33...(19) Peak 4672 from aronoe.peaks (0.16, 7.12, 131.20 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.94: QD1 ILE 34 + QD PHE 40 OK 84 89 - 95 - 3.0/4671=32, 6631=28...(18) QD2 LEU 51 + QD PHE 40 OK 45 100 - 45 - 6939/2.2=11, 3.1/6938=9...(12) QG1 VAL 110 + QD PHE 40 OK 28 71 - 39 - ~6743=8, ~7870=5, 7857=5...(10) QD2 LEU 84 - QD PHE 40 OK 24 71 - 34 - 7479=9, 4.6/410=7...(7) Peak 4673 from aronoe.peaks (8.51, 7.12, 131.20 ppm; 4.21 A): 4 out of 9 assignments used, quality = 0.94: H PHE 40 + QD PHE 40 OK 75 78 - 95 - 4.5=83, 938/2.5=25...(12) H LEU 84 + QD PHE 40 OK 50 92 - 54 - 410=13, 3.6/4196=7...(12) H GLU 28 + QD PHE 40 OK 34 96 - 36 - 4.8/6533=10, 4.8/8409=7...(9) H GLU 38 + QD PHE 40 OK 32 97 - 33 - 3.6/6699=12, 3.9/4666=6...(7) H LEU 77 - QD PHE 40 OK 25 100 - 25 - 4.0/4668=5, 4.0/7002=3...(9) H SER 13 - QD PHE 40 OK 12 97 - 12 - 18/2.5=3, 4.6/2772=2...(4) H LYS 31 - QD PHE 40 lone 7 93 - 8 - H GLU 94 - QD PHE 40 poor 7 60 - 12 - 458=1, 5557/2.5=1...(4) H GLY 2 - QD PHE 40 lone 3 76 - 3 - Peak 4676 from aronoe.peaks (3.74, 7.29, 129.72 ppm; 4.43 A): 0 out of 10 assignments used, low quality = 0.42: HD2 PRO 30 - HZ PHE 40 OK 42 60 - 70 - 2.3/6593=19, 1.8/6589=19...(13) HA GLU 38 - HZ PHE 40 lone 6 81 - 8 - 1579/8.2=3 HA LEU 54 - HZ PHE 40 lone 3 97 - 3 - HA CYS 87 - HZ PHE 40 lone 3 83 - 3 - HA2 GLY 104 - HZ PHE 40 lone 3 76 - 3 - ~7777=2 HA3 GLY 86 - HZ PHE 40 lone 2 90 - 2 - HB3 SER 13 - HZ PHE 40 lone 2 65 - 3 - HA GLU 73 - HZ PHE 40 lone 2 99 - 2 - HB3 SER 35 - HZ PHE 40 lone 1 81 - 2 - HB3 SER 90 - HZ PHE 40 lone 1 100 - 1 - Peak 4677 from aronoe.peaks (1.63, 7.29, 129.72 ppm; 4.60 A): 4 out of 18 assignments used, quality = 0.95: HG2 PRO 30 + HZ PHE 40 OK 67 85 - 79 - 2.3/4676=24, 6593=24...(11) HG LEU 27 + HZ PHE 40 OK 52 83 - 62 - 2.1/6535=21, 2.1/8411=18...(14) HB ILE 34 + HZ PHE 40 OK 50 92 - 54 - 3.2/6629=24, ~6623=13...(8) HG LEU 51 + HZ PHE 40 OK 35 100 - 35 - ~6939=8, ~6941=7...(9) HB3 GLN 42 - HZ PHE 40 OK 24 100 - 24 - 6593=3, 1.8/4678=2...(11) HG LEU 101 - HZ PHE 40 OK 22 94 - 23 - ~7727=4, ~4680=3...(8) HB3 LEU 41 - HZ PHE 40 OK 21 73 - 28 - ~8259=4, 3.1/4678=4...(11) HB3 LYS 32 - HZ PHE 40 OK 15 99 - 15 - 3.0/4814=3, ~4831=3...(4) HD3 LYS 32 - HZ PHE 40 poor 9 78 - 12 - 2.9/4814=3, ~4831=3, ~4681=1 HD2 LYS 32 - HZ PHE 40 poor 9 78 - 12 - 2.9/4814=3, ~4831=3, ~4681=1 HG12 ILE 63 - HZ PHE 40 poor 7 57 - 12 - ~7130=2, 2.1/4678=2...(6) HG3 ARG 85 - HZ PHE 40 lone 7 94 - 7 - 4313/5.8=2, 4667/3.8=2 HG2 ARG 53 - HZ PHE 40 lone 6 78 - 8 - 8635/3.8=3, 4.0/4574=2 HB2 LEU 59 - HZ PHE 40 lone 3 99 - 3 - HD2 LYS 31 - HZ PHE 40 lone 2 97 - 2 - HD3 LYS 31 - HZ PHE 40 lone 2 97 - 2 - HB3 LEU 126 - HZ PHE 40 lone 2 60 - 4 - HB2 LEU 126 - HZ PHE 40 lone 2 57 - 4 - Peak 4678 from aronoe.peaks (0.94, 7.29, 129.72 ppm; 3.79 A): 7 out of 12 assignments used, quality = 0.91: QD1 LEU 27 + HZ PHE 40 OK 57 98 - 58 - 8411=18, 2.1/6535=15...(12) QD2 LEU 27 + HZ PHE 40 OK 56 96 - 59 - 6535=18, 6534/2.2=14...(11) QD1 LEU 41 + HZ PHE 40 OK 21 100 - 21 - 8411=4, 4679/2.2=4...(7) QG2 ILE 22 + HZ PHE 40 OK 16 97 - 16 - ~4830=5, ~6425=5...(5) QG2 VAL 115 + HZ PHE 40 OK 12 97 - 12 - 7972/4676=2, 2.1/4815=2...(5) HB2 GLN 42 + HZ PHE 40 OK 10 87 - 12 - 1.8/4677=2, 4679/2.2=2...(5) QD1 ILE 63 + HZ PHE 40 OK 10 99 - 10 - 7131/3.8=4, 7130/2.2=2, ~7125=1 QD1 LEU 117 - HZ PHE 40 poor 8 68 - 12 - 2.1/7997=5, 8411=2, 4679/2.2=1 QD1 LEU 55 - HZ PHE 40 lone 7 100 - 7 - 7003/3.8=3, 4679/2.2=2, ~4723=1 QG2 VAL 49 - HZ PHE 40 lone 2 92 - 2 - QD1 LEU 126 - HZ PHE 40 lone 2 65 - 3 - QG2 ILE 124 - HZ PHE 40 lone 2 76 - 2 - Peak 4679 from aronoe.peaks (0.93, 7.22, 131.06 ppm; 3.85 A): 3 out of 22 assignments used, quality = 0.95: QD2 LEU 27 + QE PHE 40 OK 72 100 - 72 - 6534=22, 6535/2.2=19...(16) QD1 LEU 27 + QE PHE 40 OK 70 100 - 70 - 2.1/6534=15, 8411/2.2=14...(15) QD1 LEU 41 + QE PHE 40 OK 42 99 - 42 - ~6769=8, ~6765=6...(13) HB2 GLN 42 - QE PHE 40 OK 19 99 - 19 - 3.0/6772=2, 4.4/6781=2...(11) QD1 LEU 55 - QE PHE 40 OK 18 97 - 19 - ~7004=5, 7003/2.2=4...(6) QG2 ILE 22 - QE PHE 40 OK 17 100 - 17 - 3.0/4830=8, 4678/2.2=3...(4) QD1 ILE 63 - QE PHE 40 OK 16 90 - 18 - 7131/2.2=4, 3.2/7125=3...(6) QG2 VAL 115 - QE PHE 40 OK 12 100 - 12 - 7978/6350=2, 4678/2.2=2...(6) QD1 LEU 117 - QE PHE 40 OK 11 90 - 12 - ~7997=3, 8411/2.2=2...(4) QD2 LEU 27 - QE PHE 96 poor 10 48 - 20 - 6534=5, 4.0/6539=3...(7) QD1 LEU 27 - QE PHE 96 poor 9 49 - 19 - 2.1/6534=3, 8410=3...(7) QD1 LEU 117 - QE PHE 96 poor 6 39 - 15 - ~7998=7, ~7997=3...(4) QG2 ILE 22 - QE PHE 96 poor 5 49 - 10 - 3.0/6425=4, 3.2/6422=2 QD1 LEU 55 - QE PHE 96 lone 4 45 - 8 - 7003/2.2=3, ~4730=1, ~8640=1 QG2 VAL 49 - QE PHE 40 lone 3 100 - 3 - QD1 LEU 126 - QE PHE 40 lone 2 89 - 3 - QD1 ILE 63 - QE PHE 96 lone 2 39 - 6 - 7150/4.4=1 QD1 LEU 41 - QE PHE 96 lone 2 47 - 4 - QG2 VAL 115 - QE PHE 96 lone 1 49 - 3 - QG2 VAL 49 - QE PHE 96 lone 1 48 - 2 - HB2 GLN 42 - QE PHE 96 lone 1 46 - 2 - QD1 LEU 126 - QE PHE 96 lone 1 38 - 1 - Peak 4680 from aronoe.peaks (0.98, 7.22, 131.06 ppm; 3.71 A): 5 out of 18 assignments used, quality = 0.93: QG1 VAL 18 + QE PHE 40 OK 69 100 - 69 - 6348=17, 2.1/6350=16...(11) HB3 LEU 27 + QE PHE 40 OK 38 71 - 53 - 3.1/6534=11, ~6535=8...(13) QD1 LEU 101 + QE PHE 40 OK 29 100 - 29 - 2.1/7727=5, 4670/2.2=5...(9) QD1 LEU 101 + QE PHE 96 OK 29 48 - 60 - ~7726=13, 8743/2.2=12...(15) QG2 THR 95 + QE PHE 96 OK 25 47 - 53 - 7619/2.2=12, ~7617=10...(9) QD2 LEU 58 - QE PHE 40 OK 22 96 - 23 - 6348=5, 6349/2.2=5...(6) QD1 LEU 58 - QE PHE 40 OK 17 83 - 21 - 2.1/6348=4, 7049/2.2=3...(7) HG3 LYS 65 - QE PHE 40 OK 11 100 - 11 - 4670/2.2=2, 4.0/3570=1...(4) HG2 LYS 65 - QE PHE 40 OK 11 100 - 11 - 4670/2.2=2, 4.0/3570=1...(4) QG2 THR 95 - QE PHE 40 OK 11 99 - 11 - ~7621=3, 7620/2.2=3 QD2 LEU 58 - QE PHE 96 poor 7 43 - 16 - 6348=4, ~4729=3...(4) HB3 LEU 27 - QE PHE 96 poor 5 28 - 18 - 3.0/6539=4, 3.1/6534=2...(6) QD1 LEU 58 - QE PHE 96 poor 5 34 - 15 - 2.1/6348=3, 4712/2.2=2...(4) QG2 ILE 124 - QE PHE 40 lone 4 73 - 5 - HG2 LYS 65 - QE PHE 96 lone 4 49 - 7 - 4712/2.2=2, ~4712=1 HG3 LYS 65 - QE PHE 96 lone 4 49 - 7 - 4712/2.2=2, ~4712=1 QG1 VAL 18 - QE PHE 96 lone 4 48 - 7 - 6348=2, 4712/2.2=1 QG2 ILE 124 - QE PHE 96 lone 1 29 - 4 - Peak 4681 from aronoe.peaks (2.91, 7.22, 131.06 ppm; 4.60 A): 1 out of 14 assignments used, quality = 0.96: HB2 PHE 40 + QE PHE 40 OK 96 96 - 100 - 4.4=100 HB2 ASP 100 - QE PHE 40 OK 41 95 - 44 - 4566/2.2=11, 2751/4.4=8...(9) HB3 PHE 96 - QE PHE 96 OK 31 31 - 100 - 4.4=100 HB2 ASP 100 - QE PHE 96 OK 16 42 - 38 - ~4819=12, ~7687=11...(6) HB3 PHE 96 - QE PHE 40 OK 15 76 - 20 - 2.4/2767=5, ~4570=4...(6) HE2 LYS 32 - QE PHE 40 OK 14 92 - 16 - 3.8/4831=4, 4566/2.2=2...(5) HE3 LYS 32 - QE PHE 40 OK 14 90 - 16 - 3.8/4831=4, 4566/2.2=2...(5) HB2 PHE 40 - QE PHE 96 OK 13 43 - 29 - 2.5/2775=5, 7686/2.2=5...(9) HB3 ASN 12 - QE PHE 40 poor 8 76 - 10 - 4566/2.2=3, 2751/4.4=2...(4) HB2 ASN 106 - QE PHE 40 lone 8 100 - 8 - 4566/2.2=2, 2751/4.4=1 HE2 LYS 32 - QE PHE 96 poor 7 40 - 18 - 4592/2.2=4, ~4592=4...(6) HE3 LYS 32 - QE PHE 96 poor 7 39 - 18 - 4592/2.2=4, ~4592=4...(6) HB3 ASN 12 - QE PHE 96 lone 3 31 - 9 - ~8383=2, ~4703=2, ~4818=1 HB2 ASN 106 - QE PHE 96 lone 2 48 - 4 - Peak 4682 from aronoe.peaks (4.29, 7.20, 133.94 ppm; 4.23 A): 4 out of 7 assignments used, quality = 0.94: HB2 SER 78 + QD TYR 67 OK 74 97 - 76 - 7363=24, 7364/2.2=20...(11) HA LYS 65 + QD TYR 67 OK 61 100 - 61 - 4683/2.2=13, 3570=10...(17) HA LEU 114 + QD TYR 67 OK 22 100 - 22 - 7954/2.2=6, 3.0/4688=3...(7) HB3 SER 113 + QD TYR 67 OK 18 98 - 18 - 4683/2.2=4, 1.8/4684=3...(5) HA GLN 103 - QD TYR 67 poor 9 92 - 10 - 3.6/7777=3, 4683/2.2=2 HA GLU 94 - QD TYR 67 lone 3 85 - 4 - HA ALA 122 - QD TYR 67 lone 2 85 - 2 - Peak 4683 from aronoe.peaks (4.29, 6.79, 117.59 ppm; 3.47 A): 4 out of 7 assignments used, quality = 0.83: HB2 SER 78 + QE TYR 67 OK 60 99 - 60 - 7364=18, 1.8/7362=16...(10) HA LYS 65 + QE TYR 67 OK 41 100 - 42 - 4682/2.2=8, 5.9/7217=7...(11) HA LEU 114 + QE TYR 67 OK 18 100 - 18 - 7954=4, 4682/2.2=3...(6) HB3 SER 113 + QE TYR 67 OK 13 100 - 13 - 1.8/4692=3, 4682/2.2=2, ~4684=1 HA GLN 103 - QE TYR 67 lone 5 85 - 6 - 4682/2.2=1 HA GLU 94 - QE TYR 67 lone 1 76 - 2 - HA ALA 122 - QE TYR 67 lone 1 76 - 1 - Peak 4684 from aronoe.peaks (4.15, 7.20, 133.94 ppm; 4.38 A): 4 out of 12 assignments used, quality = 0.94: HA SER 78 + QD TYR 67 OK 70 87 - 81 - 3.0/7363=17, 3.0/7361=14...(15) HB3 SER 78 + QD TYR 67 OK 57 76 - 75 - 1.8/7363=21, 7362/2.2=17...(11) HA ILE 63 + QD TYR 67 OK 35 95 - 37 - 7122=9, 3.2/7125=7...(7) HA ASN 108 + QD TYR 67 OK 25 99 - 25 - 3.0/543=7, ~1740=5...(5) HB2 SER 113 - QD TYR 67 OK 20 100 - 20 - 1.8/4682=4, ~4683=3...(6) HA PRO 37 - QD TYR 67 OK 16 99 - 16 - 4692/2.2=2, 6673/6623=1...(4) HA ALA 98 - QD TYR 67 OK 12 94 - 13 - 2.1/4689=2, 7215/2.2=2, ~7220=1 HA ILE 124 - QD TYR 67 OK 12 98 - 12 - 4692/2.2=2, 3.2/4690=1 HA PHE 83 - QD TYR 67 OK 11 100 - 11 - ~7471=2, ~7470=1, 4692/2.2=1 HA GLU 28 - QD TYR 67 lone 4 99 - 4 - HA GLU 56 - QD TYR 67 lone 4 85 - 5 - HB3 SER 72 - QD TYR 67 lone 3 96 - 3 - Peak 4685 from aronoe.peaks (3.90, 7.20, 133.94 ppm; 4.11 A): 3 out of 13 assignments used, quality = 0.91: HD2 PRO 68 + QD TYR 67 OK 61 97 - 63 - 3.8/4577=27, 4.8/4829=22...(8) HD3 PRO 68 + QD TYR 67 OK 60 95 - 63 - 3.8/4577=27, 4.8/4829=22...(9) HB3 ASN 79 + QD TYR 67 OK 42 85 - 49 - 3.5/4816=9, 3.9/7378=8...(17) HB THR 95 - QD TYR 67 lone 8 94 - 8 - 2.1/4690=1 HA ILE 34 - QD TYR 67 lone 6 100 - 6 - 3.2/6623=3, 4.1/6630=2 HA ARG 53 - QD TYR 67 lone 6 92 - 6 - HA ALA 43 - QD TYR 67 lone 4 87 - 4 - HB THR 62 - QD TYR 67 lone 3 95 - 3 - HB2 SER 112 - QD TYR 67 lone 2 97 - 2 - HB3 SER 112 - QD TYR 67 lone 2 95 - 2 - HA ARG 85 - QD TYR 67 lone 2 60 - 3 - HA3 GLY 2 - QD TYR 67 lone 1 100 - 1 - HA2 GLY 2 - QD TYR 67 lone 1 100 - 1 - Peak 4686 from aronoe.peaks (3.58, 7.20, 133.94 ppm; 3.96 A): 5 out of 6 assignments used, quality = 0.87: HA GLU 75 + QD TYR 67 OK 72 99 - 72 - 4693/2.2=23, 8329=19...(20) HA2 GLY 48 + QD TYR 67 OK 29 100 - 29 - 4693/2.2=6, 6882/2.6=5...(7) HA LEU 111 + QD TYR 67 OK 15 63 - 25 - 4.0/7889=4, ~560=4...(8) HA2 GLY 39 + QD TYR 67 OK 13 71 - 18 - 2.9/4816=5, ~8313=2, ~4817=2 HA LEU 51 + QD TYR 67 OK 12 85 - 14 - 4693/2.2=3, 4.0/6939=2...(4) HD2 PRO 60 - QD TYR 67 lone 2 60 - 3 - Peak 4687 from aronoe.peaks (1.76, 7.20, 133.94 ppm; 4.41 A): 3 out of 17 assignments used, quality = 0.96: HB2 GLU 75 + QD TYR 67 OK 77 88 - 87 - 3.0/4686=18, 1.8/8332=15...(24) HB VAL 66 + QD TYR 67 OK 68 96 - 70 - 4.5/4829=28, 2.1/4691=15...(12) HG2 GLN 42 + QD TYR 67 OK 43 100 - 43 - 1.8/6780=8, 6778=7...(14) HG LEU 117 - QD TYR 67 OK 29 100 - 29 - 7996/2.2=6, ~8000=5...(9) HB2 LEU 117 - QD TYR 67 OK 27 92 - 29 - 7994/2.2=6, ~7995=4...(8) HB3 LYS 46 - QD TYR 67 OK 24 99 - 25 - 6778=3, 4698/2.2=2...(11) HG3 PRO 30 - QD TYR 67 OK 17 100 - 17 - 1.8/6586=2, 6592/2.2=2...(5) HD2 LYS 109 - QD TYR 67 OK 16 100 - 16 - ~5871=3, 8454/3.7=3...(5) HD3 LYS 109 - QD TYR 67 OK 15 99 - 16 - ~5871=3, 8454/3.7=3...(5) HB2 LEU 45 - QD TYR 67 OK 10 100 - 10 - HG3 ARG 71 - QD TYR 67 lone 9 100 - 9 - 6592/2.2=1 HB2 PRO 37 - QD TYR 67 poor 9 63 - 14 - 2.3/4684=2, ~4692=1...(6) HB2 ARG 53 - QD TYR 67 lone 8 88 - 9 - 317/4.5=1 HG2 ARG 71 - QD TYR 67 lone 8 92 - 9 - HB2 LEU 91 - QD TYR 67 lone 6 73 - 9 - 317/4.5=2 HB3 ARG 71 - QD TYR 67 lone 4 57 - 7 - ~8312=1 HB2 LYS 32 - QD TYR 67 lone 4 63 - 6 - 4.7/4816=1 Peak 4688 from aronoe.peaks (2.07, 7.20, 133.94 ppm; 5.21 A): 8 out of 15 assignments used, quality = 0.91: HB ILE 63 + QD TYR 67 OK 52 99 - 53 - 2.1/7125=10, 3.2/7130=9...(14) HB3 GLU 38 + QD TYR 67 OK 35 95 - 36 - 3.0/6720=7, 4.4/4816=6...(9) HB2 LEU 114 + QD TYR 67 OK 34 97 - 35 - ~7954=6, 3.0/4682=5...(10) HB2 LEU 101 + QD TYR 67 OK 22 63 - 35 - 3.1/8152=8, 3.0/7719=4...(16) HG2 GLU 64 + QD TYR 67 OK 18 100 - 18 - 5.0/1471=4, 1.8/5673=2...(6) HB2 ARG 57 + QD TYR 67 OK 17 100 - 17 - ~4697=2, 6727=2, ~4692=1 HG3 PRO 37 + QD TYR 67 OK 12 78 - 15 - 3.8/4684=2, ~6695=2...(5) HB2 GLN 105 + QD TYR 67 OK 10 100 - 10 - 4.0/4816=2, ~4697=1 HG LEU 21 - QD TYR 67 lone 7 96 - 8 - ~6397=1 HB3 ARG 81 - QD TYR 67 lone 7 83 - 8 - 3.5/8564=1 HG3 PRO 60 - QD TYR 67 lone 5 68 - 7 - ~4697=1 HG3 GLU 69 - QD TYR 67 lone 5 85 - 6 - HB2 GLU 15 - QD TYR 67 lone 5 92 - 5 - HB2 GLN 16 - QD TYR 67 lone 4 99 - 4 - HB3 GLN 16 - QD TYR 67 lone 4 99 - 4 - Peak 4689 from aronoe.peaks (1.43, 7.20, 133.94 ppm; 4.21 A): 3 out of 13 assignments used, quality = 0.99: HD2 LYS 65 + QD TYR 67 OK 79 94 - 84 - ~7217=15, ~4696=13...(24) HD3 LYS 65 + QD TYR 67 OK 79 94 - 84 - ~7217=15, ~4696=13...(24) HB3 GLU 75 + QD TYR 67 OK 69 83 - 84 - 3.0/4686=17, 3.0/8552=13...(22) HB3 LEU 101 - QD TYR 67 OK 26 98 - 26 - 3.1/8152=6, 3.0/7719=3...(10) QB ALA 98 - QD TYR 67 OK 19 99 - 19 - 7663/3.7=3, ~4692=2...(10) HD2 LYS 46 - QD TYR 67 OK 16 63 - 26 - ~4696=3, ~7218=3...(12) HB2 LEU 51 - QD TYR 67 OK 15 97 - 16 - 3.1/6939=3, 3.0/4686=3...(6) HB3 LEU 45 - QD TYR 67 lone 7 83 - 8 - HB3 LEU 91 - QD TYR 67 lone 6 100 - 6 - HG LEU 24 - QD TYR 67 lone 6 83 - 7 - QB ALA 89 - QD TYR 67 lone 4 97 - 4 - QB ALA 122 - QD TYR 67 lone 3 88 - 3 - HG LEU 59 - QD TYR 67 lone 1 63 - 2 - Peak 4690 from aronoe.peaks (0.96, 7.20, 133.94 ppm; 4.73 A): 4 out of 9 assignments used, quality = 0.92: HG2 LYS 65 + QD TYR 67 OK 58 80 - 72 - 4700/2.2=13, 3.8/8721=11...(18) HG3 LYS 65 + QD TYR 67 OK 58 80 - 72 - 4700/2.2=13, 3.8/8721=11...(18) QD1 ILE 63 + QD TYR 67 OK 43 85 - 51 - 7130=9, 3.2/7125=8...(12) QD1 LEU 101 + QD TYR 67 OK 23 68 - 34 - 8152=6, 4700/2.2=4...(11) QG2 ILE 124 - QD TYR 67 OK 13 100 - 13 - 4700/2.2=2, 3.2/4684=2...(4) QD1 LEU 41 - QD TYR 67 OK 13 63 - 21 - 4.9/8588=4, 4.1/8259=3...(6) QD1 LEU 55 - QD TYR 67 OK 11 71 - 15 - 3.1/8295=4, 3.1/8294=4...(5) QG2 THR 95 - QD TYR 67 OK 11 92 - 12 - 2.1/4685=2, 4700/2.2=1...(4) QG1 VAL 18 - QD TYR 67 poor 9 71 - 12 - 2.1/6350=3, ~8394=2, 4700/2.2=1 Peak 4691 from aronoe.peaks (0.69, 7.20, 133.94 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.94: HG3 GLU 75 + QD TYR 67 OK 72 98 - 73 - 8552=14, 4701/2.2=14...(18) QG1 VAL 66 + QD TYR 67 OK 71 100 - 71 - 4.3/4829=26, 7204=13...(17) QD1 LEU 77 + QD TYR 67 OK 29 100 - 29 - 3.1/8295=6, 4701/2.2=5...(9) QD2 LEU 54 - QD TYR 67 OK 23 94 - 24 - 4701/2.2=5, 8433=4...(5) Peak 4692 from aronoe.peaks (4.13, 6.79, 117.59 ppm; 3.56 A): 4 out of 12 assignments used, quality = 0.79: HB3 SER 78 + QE TYR 67 OK 63 99 - 64 - 7362=19, 1.8/7364=17...(11) HA ASN 108 + QE TYR 67 OK 22 98 - 22 - 3.0/1740=5, 3.6/1512=4...(6) HA ILE 63 + QE TYR 67 OK 19 100 - 19 - 7122/2.2=5, 3.7/4697=3...(6) HB2 SER 113 + QE TYR 67 OK 11 85 - 13 - 1.8/4683=4, ~4682=2, 4684/2.2=1 HA ALA 98 - QE TYR 67 lone 9 100 - 9 - 6197=1 HA PRO 37 - QE TYR 67 lone 8 98 - 8 - 2.3/4697=1, 4684/2.2=1 HA ILE 124 - QE TYR 67 lone 7 99 - 7 - 3.2/4700=1 HA ARG 57 - QE TYR 67 lone 5 83 - 7 - 3.0/4697=1 HA PHE 83 - QE TYR 67 lone 4 93 - 5 - HB3 SER 72 - QE TYR 67 lone 2 100 - 2 - HA3 GLY 25 - QE TYR 67 lone 2 83 - 3 - HA GLU 28 - QE TYR 67 lone 1 73 - 2 - Peak 4693 from aronoe.peaks (3.57, 6.79, 117.59 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.71: HA GLU 75 + QE TYR 67 OK 65 97 - 68 - 8330=20, 4686/2.2=17...(16) HA2 GLY 48 + QE TYR 67 OK 17 99 - 17 - 4686/2.2=7, 6882/4.5=3 HA LEU 51 - QE TYR 67 poor 9 93 - 10 - 4686/2.2=3, 8424/6978=1 HA ASN 118 - QE TYR 67 lone 6 71 - 9 - 8018=3, 3.0/8017=2 HD2 PRO 60 - QE TYR 67 lone 2 73 - 3 - Peak 4694 from aronoe.peaks (2.83, 6.79, 117.59 ppm; 3.84 A): 3 out of 8 assignments used, quality = 0.94: HB2 TYR 67 + QE TYR 67 OK 70 97 - 72 - 4.5=64, ~4577=15...(4) HB3 TYR 67 + QE TYR 67 OK 70 97 - 72 - 4.5=64, ~4577=15...(4) HB3 PHE 107 + QE TYR 67 OK 32 90 - 35 - 3.0/6193=8, 2.4/4582=7...(8) HB2 ASN 79 - QE TYR 67 OK 28 92 - 31 - 3.9/7379=7, ~4685=4...(8) HB2 ASN 99 - QE TYR 67 OK 17 95 - 18 - 1.8/4695=7, 3707/2.2=2...(6) HB2 CYS 76 - QE TYR 67 lone 6 98 - 6 - 7328/2.2=2 HB2 ASP 36 - QE TYR 67 lone 5 95 - 5 - 1.8/4696=3 HG CYS 52 - QE TYR 67 lone 2 73 - 3 - Peak 4695 from aronoe.peaks (2.71, 6.79, 117.59 ppm; 4.13 A): 3 out of 4 assignments used, quality = 0.83: HE3 LYS 65 + QE TYR 67 OK 73 99 - 74 - 1.8/4696=27, 8652=26...(14) HB3 ASN 99 + QE TYR 67 OK 23 92 - 25 - 1.8/4694=3, 4631=3...(13) HB3 ASN 108 + QE TYR 67 OK 16 87 - 18 - 4.0/1740=6, 3.0/4692=5...(4) HB3 ASN 106 - QE TYR 67 lone 5 93 - 5 - Peak 4696 from aronoe.peaks (2.55, 6.79, 117.59 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.74: HE2 LYS 65 + QE TYR 67 OK 69 98 - 70 - 1.8/4695=24, 8653=18...(13) HE3 LYS 46 + QE TYR 67 OK 17 92 - 19 - 8653=4, ~8581=3...(7) HB3 ASP 36 - QE TYR 67 lone 8 100 - 8 - 2648/4.5=1, 2648/4.5=1 Peak 4697 from aronoe.peaks (1.81, 6.79, 117.59 ppm; 4.33 A): 2 out of 12 assignments used, quality = 0.77: HG2 GLU 75 + QE TYR 67 OK 69 99 - 70 - 3.6/4693=20, 1.8/4701=16...(11) HG13 ILE 63 + QE TYR 67 OK 25 92 - 27 - 2.1/4700=6, ~7130=5...(7) HB3 ARG 57 - QE TYR 67 lone 9 99 - 9 - ~4688=1, 3.0/4692=1 HB2 PRO 37 - QE TYR 67 lone 8 85 - 9 - 2.3/4692=2, ~4684=1 HG LEU 41 - QE TYR 67 poor 7 65 - 11 - ~8294=2, 2.1/4700=2...(5) HB2 PRO 60 - QE TYR 67 lone 5 100 - 4 - HB3 GLN 105 - QE TYR 67 lone 4 95 - 5 - 4.0/4817=1 HB2 LYS 32 - QE TYR 67 lone 3 85 - 4 - HB3 GLU 56 - QE TYR 67 lone 3 95 - 3 - HG3 ARG 53 - QE TYR 67 lone 2 78 - 3 - HB2 GLU 69 - QE TYR 67 lone 2 63 - 3 - HB3 ARG 92 - QE TYR 67 lone 1 100 - 1 - Peak 4698 from aronoe.peaks (1.75, 6.79, 117.59 ppm; 4.52 A): 6 out of 16 assignments used, quality = 0.93: HB VAL 66 + QE TYR 67 OK 53 100 - 53 - 5684/6.4=15, 2.1/4701=12...(7) HB2 GLU 75 + QE TYR 67 OK 49 63 - 79 - 3.0/4693=24, 3.0/4701=14...(15) HG2 GLN 42 + QE TYR 67 OK 31 96 - 32 - ~6780=5, 6778/2.2=5...(12) HG LEU 117 + QE TYR 67 OK 30 92 - 33 - 2.1/8000=7, 7996=7...(6) HD2 LYS 109 + QE TYR 67 OK 23 92 - 25 - 3.0/5871=5, 3.9/5868=5...(8) HB2 LEU 117 + QE TYR 67 OK 22 68 - 32 - 3.1/8000=6, 7994=6...(8) HD3 LYS 109 - QE TYR 67 OK 22 87 - 25 - 3.0/5871=5, 3.9/5868=5...(8) HB3 LYS 46 - QE TYR 67 OK 21 100 - 21 - 4.7/4696=4, 4687/2.2=2...(7) HG3 PRO 30 - QE TYR 67 OK 13 90 - 14 - 6592=3, ~6584=2, ~6586=2...(5) HG3 ARG 71 - QE TYR 67 lone 8 98 - 8 - 6592=1 HB2 LEU 45 - QE TYR 67 lone 8 99 - 8 - HG2 ARG 71 - QE TYR 67 lone 7 100 - 7 - 1.8/6592=1 HB2 LEU 91 - QE TYR 67 lone 6 95 - 6 - 317/6.4=1 HB2 ARG 53 - QE TYR 67 lone 5 99 - 5 - HB3 ARG 71 - QE TYR 67 lone 4 85 - 5 - HB2 LYS 31 - QE TYR 67 lone 2 76 - 3 - Peak 4699 from aronoe.peaks (1.45, 6.79, 117.59 ppm; 3.86 A): 3 out of 16 assignments used, quality = 0.97: HD2 LYS 65 + QE TYR 67 OK 71 100 - 71 - 3.0/4696=19, 3.0/4695=17...(18) HD3 LYS 65 + QE TYR 67 OK 71 100 - 71 - 3.0/4696=19, 3.0/4695=17...(18) HB3 GLU 75 + QE TYR 67 OK 69 100 - 70 - 3.0/4693=19, 3.0/4697=12...(14) HD2 LYS 46 - QE TYR 67 OK 19 96 - 20 - 3.0/4696=5, ~8584=2...(8) HB3 LEU 101 - QE TYR 67 OK 17 99 - 18 - ~8152=3, 3.1/4700=2...(7) QB ALA 98 - QE TYR 67 poor 9 76 - 12 - 2.1/4692=2, 4689/2.2=1...(4) HB2 LEU 51 - QE TYR 67 lone 7 68 - 10 - 3.0/4693=3, ~6939=2...(5) HG3 ARG 57 - QE TYR 67 lone 6 81 - 7 - 3.0/4697=2 HB3 LEU 45 - QE TYR 67 lone 6 100 - 6 - HG LEU 24 - QE TYR 67 lone 6 100 - 6 - QB ALA 14 - QE TYR 67 lone 4 85 - 5 - HB3 LEU 91 - QE TYR 67 lone 4 89 - 4 - HG2 LYS 119 - QE TYR 67 lone 3 93 - 3 - QB ALA 89 - QE TYR 67 lone 3 99 - 3 - HB2 LEU 93 - QE TYR 67 lone 3 85 - 3 - HG3 LYS 31 - QE TYR 67 lone 2 89 - 2 - Peak 4700 from aronoe.peaks (0.96, 6.79, 117.59 ppm; 3.95 A): 4 out of 9 assignments used, quality = 0.83: HG2 LYS 65 + QE TYR 67 OK 49 81 - 61 - 3.8/4696=17, 3.8/7217=15...(15) HG3 LYS 65 + QE TYR 67 OK 49 81 - 61 - 3.8/4696=17, 3.8/7217=15...(15) QD1 ILE 63 + QE TYR 67 OK 23 85 - 27 - 2.1/4697=5, 7130/2.2=5...(9) QD1 LEU 101 + QE TYR 67 OK 13 68 - 20 - 8152/2.2=5, 7709/4985=2...(8) QG2 ILE 124 - QE TYR 67 lone 8 100 - 8 - 4690/2.2=1, 3.2/4692=1 QD1 LEU 41 - QE TYR 67 poor 7 63 - 11 - 4.9/4817=2, 2.1/4697=2...(6) QG1 VAL 18 - QE TYR 67 lone 5 71 - 7 - ~6350=2, 2.1/8394=1 QG2 THR 95 - QE TYR 67 lone 5 92 - 5 - 4690/2.2=1 QD1 LEU 55 - QE TYR 67 lone 5 71 - 7 - ~8295=2, ~8294=2, 4690/2.2=1 Peak 4701 from aronoe.peaks (0.69, 6.79, 117.59 ppm; 4.19 A): 4 out of 4 assignments used, quality = 0.91: HG3 GLU 75 + QE TYR 67 OK 68 98 - 70 - 3.6/4693=19, 1.8/4697=18...(14) QG1 VAL 66 + QE TYR 67 OK 51 100 - 51 - 4691/2.2=13, 5685/6.4=13...(10) QD1 LEU 77 + QE TYR 67 OK 25 100 - 26 - 4691/2.2=6, ~8295=4...(11) QD2 LEU 54 + QE TYR 67 OK 24 95 - 25 - 2.1/6978=6, 4691/2.2=4...(6) Peak 4702 from aronoe.peaks (9.21, 7.28, 133.89 ppm; 3.93 A): 2 out of 3 assignments used, quality = 0.98: H ASP 97 + QD PHE 96 OK 91 99 - 93 - 4.4=69, 478/2.4=27...(14) H ALA 98 + QD PHE 96 OK 72 100 - 72 - 5816/2.4=13, 5817/2.4=12...(20) H GLU 64 - QD PHE 96 lone 5 68 - 7 - 7159/4703=1, 4.3/4713=1 Peak 4703 from aronoe.peaks (6.97, 7.28, 133.89 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.73: H LEU 101 + QD PHE 96 OK 52 99 - 53 - 4704/2.2=14...(12) QE PHE 107 + QD PHE 96 OK 35 96 - 37 - 4799/4715=13...(8) HD22 ASN 108 + QD PHE 96 OK 11 100 - 11 - 4704/2.2=3, 4.3/4707=1...(4) HD22 ASN 12 - QD PHE 96 poor 10 85 - 11 - 4704/2.2=2, 7859/4715=2...(4) Peak 4704 from aronoe.peaks (6.99, 7.24, 130.77 ppm; 3.84 A): 2 out of 8 assignments used, quality = 0.60: H LEU 101 + QE PHE 96 OK 42 88 - 48 - 4703/2.2=14, 7698/4727=8...(13) QE PHE 107 + QE PHE 96 OK 31 100 - 31 - 4703/2.2=9, 4799/4727=9...(7) H LEU 101 - QE PHE 40 poor 10 41 - 24 - 497/4.4=3, 4.7/7727=3...(10) HD22 ASN 108 - QE PHE 96 lone 8 93 - 9 - 4703/2.2=3, 4.3/7657=1 QE PHE 107 - QE PHE 40 poor 6 53 - 12 - 4799/4727=2 HD22 ASN 12 - QE PHE 96 poor 6 57 - 10 - 4703/2.2=3, 3.5/4717=2 HD22 ASN 12 - QE PHE 40 lone 1 24 - 6 - ~2772=1, ~4566=1 HD22 ASN 108 - QE PHE 40 lone 1 45 - 3 - Peak 4705 from aronoe.peaks (4.31, 7.24, 130.77 ppm; 4.57 A): 6 out of 12 assignments used, quality = 0.82: HB3 SER 113 + QE PHE 96 OK 56 92 - 61 - 7928/2.2=19, 1.8/7927=16...(10) HA LEU 114 + QE PHE 96 OK 26 85 - 31 - 4.0/7956=10, 4.0/4724=7...(6) HA PHE 40 + QE PHE 40 OK 22 31 - 72 - 5.6=54, 2741/2.2=21...(5) HB2 SER 78 + QE PHE 96 OK 12 93 - 13 - 4708/2.2=4, 1.8/4716=2...(5) HA PHE 40 + QE PHE 96 OK 12 71 - 17 - 3.0/7686=3, 3.7/2775=3...(5) HA LYS 65 + QE PHE 96 OK 10 76 - 13 - 4708/2.2=4, 7642/6.5=1 HB THR 17 - QE PHE 40 poor 5 44 - 12 - 2771/2.2=3, 2750/4.4=2...(5) HA LYS 65 - QE PHE 40 poor 4 33 - 11 - ~2775=2, ~4569=1, 3570=1 HB2 SER 78 - QE PHE 40 lone 4 45 - 8 - 3.9/7359=3, 4.5/7378=2 HB THR 17 - QE PHE 96 lone 3 92 - 3 - HB3 SER 113 - QE PHE 40 lone 2 44 - 5 - HA LEU 114 - QE PHE 40 lone 2 39 - 6 - 4.0/7956=2 Peak 4706 from aronoe.peaks (3.89, 7.28, 133.89 ppm; 4.50 A): 4 out of 13 assignments used, quality = 0.88: HB THR 95 + QD PHE 96 OK 80 100 - 81 - 3.0/7617=29, 7618=21...(13) HB3 ASN 79 + QD PHE 96 OK 17 97 - 17 - 473/4.5=6, 4544/7617=3...(6) HD2 PRO 68 + QD PHE 96 OK 13 85 - 16 - 3.8/4590=6, 8314/3.7=4 HD3 PRO 68 + QD PHE 96 OK 12 80 - 15 - 3.8/4590=6, 8314/3.7=4 HB3 SER 112 - QD PHE 96 lone 9 100 - 9 - 4.5/7926=7 HB2 SER 112 - QD PHE 96 lone 9 100 - 9 - 4.5/7926=7 HA ARG 53 - QD PHE 96 lone 5 99 - 5 - HA ILE 34 - QD PHE 96 lone 4 97 - 4 - 4.1/6629=2 HB THR 62 - QD PHE 96 lone 2 80 - 3 - HB2 SER 13 - QD PHE 96 lone 2 76 - 2 - HA ALA 43 - QD PHE 96 lone 2 65 - 3 - ~6802=1 HA2 GLY 2 - QD PHE 96 lone 1 97 - 1 - HA3 GLY 2 - QD PHE 96 lone 1 97 - 1 - Peak 4707 from aronoe.peaks (4.14, 7.28, 133.89 ppm; 3.76 A): 6 out of 14 assignments used, quality = 0.88: HB2 SER 113 + QD PHE 96 OK 56 97 - 58 - 7927=19, 1.8/4708=17...(10) HA ALA 98 + QD PHE 96 OK 51 99 - 51 - 3.0/4702=12, 2.1/7656=9...(14) HA PHE 83 + QD PHE 96 OK 21 100 - 21 - 4192/2.4=4, 3.0/4597=3...(8) HA ASN 108 + QD PHE 96 OK 12 100 - 12 - 7657/2.2=2, 4.3/4703=2 HA ARG 57 + QD PHE 96 OK 11 60 - 19 - 4.5/4819=5, 3.6/8642=3...(6) HA PRO 37 + QD PHE 96 OK 11 100 - 11 - 6699/3.8=1, 4716/2.2=1 HB3 SER 78 - QD PHE 96 poor 9 90 - 10 - 1.8/4708=3, ~4705=1, 4716/2.2=1 HA3 GLY 25 - QD PHE 96 poor 9 60 - 15 - 3.6/4600=3, ~5493=2...(7) HA ILE 63 - QD PHE 96 lone 9 100 - 9 - 3.2/4713=2 HA ILE 124 - QD PHE 96 lone 7 100 - 7 - HA SER 78 - QD PHE 96 lone 7 71 - 9 - 3.0/4708=3, 7641/4.5=1, ~4705=1 HA GLU 28 - QD PHE 96 lone 4 92 - 4 - HB3 SER 72 - QD PHE 96 lone 2 100 - 2 - HA GLU 56 - QD PHE 96 lone 1 68 - 2 - Peak 4708 from aronoe.peaks (4.30, 7.28, 133.89 ppm; 4.22 A): 4 out of 7 assignments used, quality = 0.79: HB3 SER 113 + QD PHE 96 OK 64 100 - 64 - 7928=24, 1.8/7927=18...(11) HA LEU 114 + QD PHE 96 OK 19 100 - 19 - 4705/2.2=4, 4.0/4713=4...(6) HA LYS 65 + QD PHE 96 OK 15 99 - 15 - 7642/4.5=3, ~7162=2...(5) HB2 SER 78 + QD PHE 96 OK 13 100 - 13 - 7642/4.5=2, 4705/2.2=2...(5) HA GLU 94 - QD PHE 96 lone 4 63 - 6 - 7642/4.5=5 HA GLN 103 - QD PHE 96 lone 3 73 - 4 - ~511=1 HA ALA 122 - QD PHE 96 lone 2 63 - 2 - Peak 4709 from aronoe.peaks (4.56, 7.28, 133.89 ppm; 4.39 A): 5 out of 8 assignments used, quality = 0.86: HA THR 95 + QD PHE 96 OK 71 96 - 74 - 7617=36, 3.6/1253=17...(11) HA ASN 99 + QD PHE 96 OK 24 100 - 24 - 4.5/7656=8, 3.6/7685=7...(5) HA LEU 27 + QD PHE 96 OK 16 73 - 22 - 6539/2.2=4, ~93=4...(7) HA ASN 79 + QD PHE 96 OK 14 94 - 15 - 472/4.5=5, 3.0/4706=3...(5) HA GLU 82 + QD PHE 96 OK 13 92 - 14 - 4165/2.4=3, 4.1/4598=2...(4) HA ASP 47 - QD PHE 96 lone 4 83 - 5 - HB THR 121 - QD PHE 96 lone 4 100 - 4 - HA GLU 69 - QD PHE 96 lone 3 85 - 4 - Peak 4710 from aronoe.peaks (1.44, 7.28, 133.89 ppm; 4.25 A): 4 out of 16 assignments used, quality = 0.93: QB ALA 98 + QD PHE 96 OK 65 93 - 70 - 2.9/4702=15, 7656=14...(20) HB3 LEU 101 + QD PHE 96 OK 58 100 - 58 - 4.0/4703=12...(14) HB2 LEU 51 + QD PHE 96 OK 34 88 - 38 - ~6941=7, 3.1/4714=6...(10) HG LEU 24 + QD PHE 96 OK 28 94 - 30 - 6474=6, 2.1/6475=4...(10) HB3 LEU 91 - QD PHE 96 OK 22 99 - 22 - 7582/3.8=6, 3.1/4713=4...(6) HD3 LYS 65 - QD PHE 96 OK 12 99 - 12 - 5.4/4708=2, 2.9/4712=2 HD2 LYS 65 - QD PHE 96 OK 12 99 - 12 - 5.4/4708=2, 2.9/4712=2 HB2 LEU 93 - QD PHE 96 poor 9 63 - 14 - 3.8/4601=4, 4477/3.8=3...(4) HB3 GLU 75 - QD PHE 96 lone 7 94 - 8 - 4.3/7926=2, 3960/4.5=1 HB3 LEU 45 - QD PHE 96 lone 7 94 - 7 - 6840/4712=1 QB ALA 89 - QD PHE 96 lone 6 100 - 6 - HD2 LYS 46 - QD PHE 96 lone 5 80 - 6 - QB ALA 14 - QD PHE 96 lone 3 63 - 5 - 6316/4703=1 QB ALA 122 - QD PHE 96 lone 3 73 - 4 - HG3 LYS 31 - QD PHE 96 lone 3 68 - 4 - HG2 LYS 119 - QD PHE 96 lone 3 76 - 4 - Peak 4711 from aronoe.peaks (1.27, 7.28, 133.89 ppm; 3.91 A): 4 out of 6 assignments used, quality = 0.92: QG2 ILE 80 + QD PHE 96 OK 70 99 - 70 - 7391=19, 7391/2.2=15...(23) QD1 ILE 80 + QD PHE 96 OK 64 100 - 64 - 7397/2.2=14, 7415/2.4=12...(21) HG3 LYS 32 + QD PHE 96 OK 22 94 - 23 - 3.8/4592=3, 3.8/4592=3...(11) HG LEU 54 + QD PHE 96 OK 10 98 - 10 - 4721/2.2=2, ~8497=2...(4) QG2 THR 116 - QD PHE 96 lone 9 100 - 9 - 4728/3.8=2, 4721/2.2=2 QG2 THR 19 - QD PHE 96 lone 5 90 - 6 - 4.2/835=2 Peak 4712 from aronoe.peaks (0.99, 7.28, 133.89 ppm; 4.21 A): 3 out of 8 assignments used, quality = 0.94: QD1 LEU 101 + QD PHE 96 OK 73 100 - 73 - 7709/4715=15, 8744=14...(20) QG2 THR 95 + QD PHE 96 OK 69 90 - 77 - 3.2/7617=25, 7619=18...(14) QD1 LEU 58 + QD PHE 96 OK 23 96 - 24 - 4722/2.2=3, ~6348=2...(8) QD2 LEU 58 - QD PHE 96 OK 22 100 - 22 - 6348/2.2=3, ~4722=2...(6) HB3 LEU 27 - QD PHE 96 OK 21 90 - 23 - 4722/2.2=3, 3.0/4709=3...(9) HG3 LYS 65 - QD PHE 96 OK 15 97 - 16 - 4.0/4708=3, 2.9/4710=1...(5) HG2 LYS 65 - QD PHE 96 OK 15 97 - 16 - 4.0/4708=3, 2.9/4710=1...(5) QG1 VAL 18 - QD PHE 96 OK 12 99 - 12 - 6348/2.2=2 Peak 4713 from aronoe.peaks (0.74, 7.28, 133.89 ppm; 4.25 A): 3 out of 8 assignments used, quality = 0.92: QD1 LEU 84 + QD PHE 96 OK 83 100 - 83 - 2.1/7478=18, 7480/2.2=12...(28) QD1 LEU 114 + QD PHE 96 OK 34 80 - 42 - ~7956=9, 4724/2.2=7...(12) QD1 LEU 91 + QD PHE 96 OK 26 100 - 26 - 7484/3.7=5, 4724/2.2=4...(8) HG LEU 111 - QD PHE 96 OK 18 99 - 18 - ~4724=2, 4724/2.2=2...(9) QD2 LEU 93 - QD PHE 96 OK 17 97 - 18 - 4.7/4601=3, 4498/3.8=3...(5) QD2 LEU 111 - QD PHE 96 OK 17 95 - 18 - 4724/2.2=2, 7875/4714=2...(6) QG2 ILE 63 - QD PHE 96 OK 14 90 - 16 - 7143/2.4=2, 7630/4.5=2...(4) QG2 VAL 66 - QD PHE 96 poor 6 63 - 10 - 7630/4.5=3 Peak 4714 from aronoe.peaks (0.14, 7.28, 133.89 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.97: QG1 VAL 110 + QD PHE 96 OK 87 100 - 87 - 2.1/4715=31, 8408=16...(23) QD2 LEU 84 + QD PHE 96 OK 77 100 - 77 - 7478=19, 7477/4.5=15...(24) QD2 LEU 51 - QD PHE 96 OK 34 80 - 43 - 6940/3.8=9, ~6941=6...(12) Peak 4715 from aronoe.peaks (0.02, 7.28, 133.89 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 110 + QD PHE 96 OK 90 100 - 90 - 4727/2.2=27, 7640/2.4=23...(23) Peak 4716 from aronoe.peaks (4.13, 7.24, 130.77 ppm; 3.87 A): 10 out of 24 assignments used, quality = 0.92: HA ALA 98 + QE PHE 96 OK 50 100 - 51 - 7657=12, 4707/2.2=8...(11) HB2 SER 113 + QE PHE 96 OK 42 80 - 53 - 7927=14, 7927/2.2=12...(9) HA PRO 37 + QE PHE 40 OK 20 48 - 42 - 6699/2.2=15, 5998/4.4=12...(6) HA ARG 57 + QE PHE 96 OK 19 87 - 22 - 7657=3, 4.5/7047=3...(7) HA3 GLY 25 + QE PHE 96 OK 19 87 - 21 - 3.0/1440=5, 5494=4...(7) HA PHE 83 + QE PHE 96 OK 15 90 - 17 - 4707/2.2=3, 4192/4.4=2...(5) HA PHE 83 + QE PHE 40 OK 12 42 - 28 - 4196/2.2=7, 6001/4.4=4...(8) HA ASN 108 + QE PHE 96 OK 12 96 - 12 - 7657=3, 4707/2.2=2, 4.3/4704=2 HB3 SER 78 + QE PHE 96 OK 11 100 - 11 - ~4708=2, 1.8/4705=2, 4707/2.2=1 HA PRO 37 + QE PHE 96 OK 11 96 - 11 - 6699/2.2=2, 4707/2.2=2 HA ILE 63 - QE PHE 96 lone 7 99 - 7 - 4707/2.2=1 HA ILE 124 - QE PHE 96 lone 7 98 - 7 - 4707/2.2=1 HA ILE 63 - QE PHE 40 lone 5 51 - 10 - 3.2/7125=2, 7122=1, 3.6/1471=1 HB3 SER 78 - QE PHE 40 lone 4 52 - 8 - 3.9/7359=2, 4.5/7378=1 HA ALA 98 - QE PHE 40 lone 4 52 - 7 - 7657=1 HA GLU 28 - QE PHE 96 lone 3 68 - 5 - HA GLU 28 - QE PHE 40 lone 3 29 - 9 - ~4673=2, 6001/4.4=1...(4) HA ASN 108 - QE PHE 40 lone 3 48 - 5 - HA ILE 124 - QE PHE 40 lone 2 49 - 5 - HB3 SER 72 - QE PHE 96 lone 2 99 - 2 - HB2 SER 113 - QE PHE 40 lone 2 36 - 5 - HA ARG 57 - QE PHE 40 lone 1 40 - 3 - HA3 GLY 25 - QE PHE 40 lone 1 40 - 3 - HB3 SER 72 - QE PHE 40 lone 1 51 - 1 - Peak 4717 from aronoe.peaks (2.96, 7.24, 130.77 ppm; 4.07 A): 1 out of 10 assignments used, quality = 0.69: HA VAL 110 + QE PHE 96 OK 69 83 - 84 - 3.2/4727=24, ~4715=17...(18) HA VAL 110 - QE PHE 40 poor 8 37 - 22 - 3.2/4727=5, 7851/2.2=4...(7) HB2 ASN 12 - QE PHE 96 lone 7 80 - 9 - 3.5/4704=2, 4986/4727=1, ~4703=1 HG3 GLU 82 - QE PHE 96 lone 5 92 - 6 - 4592/2.2=1 HE3 LYS 31 - QE PHE 96 lone 4 99 - 4 - HE2 LYS 31 - QE PHE 96 lone 4 99 - 4 - HB2 ASN 12 - QE PHE 40 lone 3 36 - 8 - ~4566=2, ~2772=2, 1877/4.4=1 HG3 GLU 82 - QE PHE 40 lone 3 44 - 6 - 7445=1, 1.8/7444=1 HE2 LYS 31 - QE PHE 40 lone 1 50 - 2 - HE3 LYS 31 - QE PHE 40 lone 1 50 - 2 - Peak 4718 from aronoe.peaks (2.09, 7.24, 130.77 ppm; 4.62 A): 5 out of 24 assignments used, quality = 0.95: HB2 LEU 101 + QE PHE 96 OK 76 99 - 77 - ~7726=15, 4.0/4704=13...(17) HB2 LEU 114 + QE PHE 96 OK 54 97 - 56 - 3.1/7956=12, ~7948=12...(13) HB2 ARG 57 + QE PHE 96 OK 32 83 - 39 - 3.5/7047=5, ~4819=5...(12) HB2 LEU 101 + QE PHE 40 OK 18 50 - 36 - 3.1/7727=5, 7718=5...(13) HG LEU 21 + QE PHE 96 OK 18 98 - 18 - 2.1/6395=3, ~6395=2...(5) HB3 PRO 70 - QE PHE 96 lone 8 95 - 8 - 7257/7720=1 HB ILE 63 - QE PHE 96 lone 5 63 - 8 - ~4713=2, 3.0/4716=1, ~4707=1 HB2 GLU 15 - QE PHE 96 lone 5 100 - 5 - HB3 GLN 16 - QE PHE 96 lone 4 95 - 5 - HB2 GLN 16 - QE PHE 96 lone 4 94 - 4 - HB ILE 63 - QE PHE 40 poor 4 26 - 15 - ~7131=4, 2.1/7125=2...(6) HG3 GLU 69 - QE PHE 96 lone 4 100 - 4 - HB2 LEU 114 - QE PHE 40 lone 4 48 - 7 - 3.1/7956=2 HB2 GLN 105 - QE PHE 96 lone 3 92 - 4 - HG LEU 21 - QE PHE 40 lone 3 49 - 7 - 6406/6534=1 HG2 GLU 64 - QE PHE 40 lone 3 37 - 7 - 5.0/1471=1, 1.8/5673=1 HB3 PRO 70 - QE PHE 40 lone 2 47 - 5 - HG3 GLU 69 - QE PHE 40 lone 2 53 - 4 - ~4815=1 HB2 GLU 15 - QE PHE 40 lone 2 52 - 4 - HG2 GLU 64 - QE PHE 96 lone 2 83 - 2 - HB2 GLN 105 - QE PHE 40 lone 2 44 - 4 - 7782/4.4=2 HB2 ARG 57 - QE PHE 40 lone 1 37 - 3 - HB3 GLN 16 - QE PHE 40 lone 1 47 - 2 - HB2 GLN 16 - QE PHE 40 lone 1 46 - 2 - Peak 4719 from aronoe.peaks (1.91, 7.24, 130.77 ppm; 4.52 A): 3 out of 34 assignments used, quality = 0.96: HB2 LEU 84 + QE PHE 96 OK 71 99 - 72 - 3.1/7478=13, 3.1/7480=11...(18) HB ILE 80 + QE PHE 96 OK 69 96 - 71 - 2.1/4721=16, ~7389=14...(12) HG LEU 84 + QE PHE 96 OK 56 76 - 73 - 2.1/7478=15, 2.1/7480=14...(17) HB2 LYS 109 - QE PHE 96 OK 22 68 - 33 - 7846/4.4=10, 8453/5.6=8...(6) HB ILE 22 - QE PHE 96 OK 19 100 - 19 - 3.2/6425=5, 3.0/6422=4...(4) HB2 LEU 21 - QE PHE 96 OK 18 92 - 19 - 3.0/6559=3, 3.1/6395=2...(6) HG LEU 58 - QE PHE 96 OK 16 80 - 20 - ~4729=4, 2.1/6348=4...(4) HB ILE 22 - QE PHE 40 OK 12 52 - 24 - 3.2/6425=10, 3.0/6422=4...(7) HB2 ARG 81 - QE PHE 96 OK 12 100 - 12 - 7633/4.4=1, 7635/4.4=1 HB2 LEU 84 - QE PHE 40 OK 11 50 - 21 - ~7479=6, ~7476=4...(7) HG LEU 55 - QE PHE 96 poor 8 65 - 13 - ~7003=2, 2.1/4723=2...(5) HB ILE 80 - QE PHE 40 poor 8 48 - 17 - 3.2/7397=4, ~7392=4...(6) HG LEU 58 - QE PHE 40 poor 8 36 - 22 - 2.1/6348=5, ~6349=4...(6) HG LEU 55 - QE PHE 40 poor 8 28 - 28 - ~7004=7, ~7002=4...(9) HG LEU 84 - QE PHE 40 poor 7 33 - 21 - ~7479=7, 7476/2.2=5...(6) HB3 GLU 73 - QE PHE 96 lone 6 100 - 6 - HB2 GLU 28 - QE PHE 96 lone 6 99 - 6 - HB3 LYS 31 - QE PHE 96 lone 4 68 - 6 - HB2 LYS 119 - QE PHE 96 lone 4 68 - 6 - HB2 LEU 21 - QE PHE 40 lone 4 44 - 8 - 6525/6534=1 HB2 GLU 28 - QE PHE 40 lone 3 51 - 6 - HB3 MET 11 - QE PHE 96 lone 3 100 - 3 - HB3 GLU 64 - QE PHE 40 lone 2 32 - 7 - 4.0/1471=1 HB2 GLU 64 - QE PHE 40 lone 2 29 - 7 - 4.0/1471=1 HB3 GLU 73 - QE PHE 40 lone 2 53 - 4 - HB VAL 50 - QE PHE 96 lone 2 68 - 3 - HB3 GLU 64 - QE PHE 96 lone 2 73 - 3 - HB2 ARG 81 - QE PHE 40 lone 2 52 - 4 - HB2 LYS 109 - QE PHE 40 lone 2 29 - 6 - 8450/4727=1, 7839/4.4=1 HB2 GLU 64 - QE PHE 96 lone 2 68 - 2 - HB3 MET 11 - QE PHE 40 lone 1 52 - 2 - HB2 LYS 119 - QE PHE 40 lone 1 29 - 3 - HB3 LYS 31 - QE PHE 40 lone 1 29 - 3 - HB VAL 50 - QE PHE 40 lone 0 29 - 2 - Peak 4720 from aronoe.peaks (1.43, 7.24, 130.77 ppm; 3.96 A): 4 out of 26 assignments used, quality = 0.93: HB3 LEU 101 + QE PHE 96 OK 61 94 - 65 - ~7726=11, 4.0/4704=9...(15) QB ALA 98 + QE PHE 96 OK 52 100 - 52 - 7656/2.2=11, 2.1/7657=9...(12) HB2 LEU 51 + QE PHE 96 OK 45 99 - 45 - ~6942=9, ~6940=9...(8) HB3 LEU 91 + QE PHE 96 OK 29 100 - 29 - 7582/2.2=6, ~7581=4...(10) HB2 LEU 27 - QE PHE 96 OK 16 60 - 26 - 4.0/93=4, 3.0/6539=4...(8) HG LEU 24 - QE PHE 96 OK 15 73 - 20 - 3.0/6473=4, 6474/2.2=3...(8) HB2 LEU 27 - QE PHE 40 OK 14 25 - 57 - 3.1/6534=10, ~6535=10...(15) HB3 LEU 101 - QE PHE 40 OK 13 46 - 28 - 3.1/7727=4, 1.8/7718=3...(12) HB2 LEU 51 - QE PHE 40 OK 12 51 - 23 - ~6938=6, 3.1/6941=5...(6) HD2 LYS 65 - QE PHE 96 lone 7 88 - 8 - 4710/2.2=1 HD3 LYS 65 - QE PHE 96 lone 7 88 - 8 - 4710/2.2=1 QB ALA 89 - QE PHE 96 lone 5 93 - 6 - HB3 LEU 45 - QE PHE 96 lone 5 73 - 6 - HG LEU 59 - QE PHE 96 lone 4 73 - 6 - QB ALA 98 - QE PHE 40 lone 4 52 - 7 - 2.1/7657=1, 7667/7337=1 QB ALA 122 - QE PHE 96 lone 3 94 - 4 - HB3 GLU 75 - QE PHE 96 lone 3 73 - 5 - HB3 LEU 91 - QE PHE 40 lone 3 52 - 5 - HD3 LYS 65 - QE PHE 40 lone 3 41 - 6 - HD2 LYS 65 - QE PHE 40 lone 3 41 - 6 - HG LEU 24 - QE PHE 40 lone 3 32 - 8 - ~6476=2, 6474/2.2=1, ~6744=1 HB3 LEU 45 - QE PHE 40 lone 1 32 - 4 - HG LEU 59 - QE PHE 40 lone 1 32 - 4 - HB3 GLU 75 - QE PHE 40 lone 1 32 - 3 - QB ALA 89 - QE PHE 40 lone 1 45 - 2 - QB ALA 122 - QE PHE 40 lone 1 46 - 1 - Peak 4721 from aronoe.peaks (1.27, 7.24, 130.77 ppm; 3.36 A): 3 out of 14 assignments used, quality = 0.87: QG2 ILE 80 + QE PHE 96 OK 62 100 - 62 - 7391=16, 7391/2.2=13...(17) QD1 ILE 80 + QE PHE 96 OK 61 100 - 61 - 7397=15, 4711/2.2=9...(16) HG LEU 54 + QE PHE 96 OK 11 93 - 12 - ~6981=2, 4728/2.2=2...(6) HG3 LYS 32 - QE PHE 96 lone 9 99 - 9 - 4711/2.2=3, 4728/2.2=1 QD1 ILE 80 - QE PHE 40 poor 8 53 - 16 - 7397=5, ~4815=2, ~7392=1 QG2 THR 116 - QE PHE 96 lone 8 100 - 8 - 4728/2.2=2, 4711/2.2=1 QG2 ILE 80 - QE PHE 40 poor 8 53 - 14 - 7392/2.2=3, 3.2/7397=2, ~4815=1 HG3 LYS 32 - QE PHE 40 poor 6 50 - 11 - ~4668=3, ~6744=2...(4) QG2 THR 19 - QE PHE 96 lone 4 96 - 4 - HG13 ILE 124 - QE PHE 96 lone 2 60 - 3 - HG LEU 54 - QE PHE 40 lone 1 45 - 3 - QG2 THR 116 - QE PHE 40 lone 1 53 - 2 - QG2 THR 19 - QE PHE 40 lone 1 48 - 2 - HG13 ILE 124 - QE PHE 40 lone 1 25 - 2 - Peak 4722 from aronoe.peaks (1.01, 7.24, 130.77 ppm; 3.55 A): 7 out of 18 assignments used, quality = 0.91: QD1 LEU 101 + QE PHE 96 OK 50 80 - 62 - ~7726=12, 2.1/7727=10...(15) QD2 LEU 101 + QE PHE 96 OK 42 71 - 59 - 4729/2.2=15, 7727=9...(15) HB3 LEU 27 + QE PHE 40 OK 25 53 - 47 - 3.1/6534=8, ~6535=8...(15) HB3 LEU 27 + QE PHE 96 OK 25 100 - 25 - 4729/2.2=5, 4.0/93=4...(8) QG1 VAL 18 + QE PHE 40 OK 20 35 - 58 - ~6351=13, 6348=11...(9) QD1 LEU 58 + QE PHE 96 OK 19 100 - 19 - 4729/2.2=4, 2.1/6348=3...(5) QD2 LEU 58 + QE PHE 96 OK 16 94 - 17 - 6348=3, ~4729=2...(5) QD1 LEU 58 - QE PHE 40 poor 9 52 - 17 - 7049/2.2=3, 2.1/6348=3...(5) QD1 LEU 101 - QE PHE 40 poor 8 36 - 23 - 2.1/7727=4, 8743/2.2=3...(9) QD2 LEU 58 - QE PHE 40 poor 7 46 - 16 - 6348=4, 6349/2.2=3...(5) QD2 LEU 101 - QE PHE 40 poor 7 31 - 24 - 7727=4, ~4670=3...(10) QG1 VAL 120 - QE PHE 96 lone 6 73 - 9 - 4729/2.2=3 HG2 LYS 65 - QE PHE 96 lone 6 68 - 8 - 4712/2.2=1, ~4712=1, 4.0/4705=1 HG3 LYS 65 - QE PHE 96 lone 6 68 - 8 - 4712/2.2=1, ~4712=1, 4.0/4705=1 QG1 VAL 18 - QE PHE 96 lone 5 78 - 7 - 6348=1 HG2 LYS 65 - QE PHE 40 lone 2 29 - 6 - HG3 LYS 65 - QE PHE 40 lone 2 29 - 6 - QG1 VAL 120 - QE PHE 40 lone 1 32 - 3 - Peak 4723 from aronoe.peaks (0.86, 7.24, 130.77 ppm; 4.26 A): 6 out of 20 assignments used, quality = 0.89: QD2 LEU 114 + QE PHE 96 OK 62 99 - 63 - 7948/2.2=21, 7956=17...(13) HG13 ILE 80 + QE PHE 96 OK 54 98 - 56 - 2.1/4721=15, 3.2/4721=13...(9) QD2 LEU 55 + QE PHE 40 OK 13 47 - 27 - 7004/2.2=9, ~7002=3...(7) HG13 ILE 22 + QE PHE 96 OK 12 78 - 15 - 2.1/6425=5, 3.9/6422=3...(4) QD2 LEU 55 + QE PHE 96 OK 11 95 - 12 - 4730/2.2=2, ~7003=2, ~8640=2 QD2 LEU 41 + QE PHE 40 OK 10 25 - 42 - 6769/2.2=10, ~6765=8...(13) HG13 ILE 80 - QE PHE 40 poor 7 49 - 15 - 2.1/7397=4, ~4815=3...(4) HG13 ILE 22 - QE PHE 40 poor 7 35 - 20 - 2.1/6425=11, 3.9/6422=3...(5) QD1 LEU 59 - QE PHE 96 lone 5 87 - 6 - 4730/2.2=1 QD2 LEU 114 - QE PHE 40 lone 5 50 - 10 - 7956=3 QD1 ILE 124 - QE PHE 96 lone 4 65 - 7 - 8121/7727=1 QD2 LEU 41 - QE PHE 96 lone 4 60 - 6 - 6767/4704=2 QD2 LEU 59 - QE PHE 96 lone 3 78 - 4 - QG1 VAL 49 - QE PHE 96 lone 3 78 - 4 - QD2 LEU 126 - QE PHE 96 lone 2 95 - 3 - QD1 LEU 59 - QE PHE 40 lone 2 40 - 5 - 7004/2.2=1 QD2 LEU 126 - QE PHE 40 lone 1 47 - 3 - QG1 VAL 49 - QE PHE 40 lone 1 35 - 4 - QD2 LEU 59 - QE PHE 40 lone 1 35 - 4 - QD1 ILE 124 - QE PHE 40 lone 1 28 - 4 - Peak 4724 from aronoe.peaks (0.73, 7.24, 130.77 ppm; 4.00 A): 7 out of 16 assignments used, quality = 0.92: QD1 LEU 84 + QE PHE 96 OK 56 85 - 66 - 7480=13, 2.1/7478=13...(17) QD1 LEU 114 + QE PHE 96 OK 50 100 - 50 - ~7948=12, 2.1/7956=11...(10) QD1 LEU 91 + QE PHE 96 OK 30 92 - 32 - 4731/2.2=6, ~7589=4...(10) QD2 LEU 111 + QE PHE 96 OK 18 100 - 18 - 4731/2.2=3, 4713/2.2=2...(7) QD2 LEU 93 + QE PHE 96 OK 17 68 - 24 - ~4505=4, ~4730=3...(8) HG LEU 111 + QE PHE 96 OK 13 78 - 16 - 4713/2.2=2, ~4731=2...(6) QD2 LEU 54 + QE PHE 96 OK 12 78 - 15 - 6981/2.2=4, 2.1/4721=3...(5) QD1 LEU 84 - QE PHE 40 poor 7 39 - 17 - ~7479=6, ~7476=3...(4) QD2 LEU 111 - QE PHE 40 poor 5 52 - 11 - 2.1/4830=2, ~4668=2...(4) HG LEU 111 - QE PHE 40 poor 4 35 - 10 - 2.1/4830=2, ~4668=2...(4) QD1 LEU 114 - QE PHE 40 lone 3 52 - 7 - 2.1/7956=2 HG3 GLU 75 - QE PHE 96 lone 2 68 - 3 - QD1 LEU 91 - QE PHE 40 lone 2 44 - 5 - QD2 LEU 54 - QE PHE 40 lone 2 35 - 5 - 2.1/8497=1 QD2 LEU 93 - QE PHE 40 lone 2 29 - 6 - HG3 GLU 75 - QE PHE 40 lone 1 29 - 2 - Peak 4725 from aronoe.peaks (0.61, 7.24, 130.77 ppm; 4.16 A): 4 out of 6 assignments used, quality = 0.93: QD1 LEU 51 + QE PHE 96 OK 60 99 - 61 - 6942/2.2=22, 6941=14...(11) QG1 VAL 26 + QE PHE 96 OK 56 100 - 56 - 4732/2.2=12, 2257=9...(14) QG2 VAL 26 + QE PHE 96 OK 53 96 - 55 - 4732/2.2=9, 2252=9...(15) QD1 LEU 51 + QE PHE 40 OK 15 50 - 31 - 6941=10, ~6938=5...(7) QG1 VAL 26 - QE PHE 40 poor 6 52 - 11 - 4.1/93=2, 6508/4.4=2, 2257=1 QG2 VAL 26 - QE PHE 40 poor 5 48 - 10 - 4.1/93=2 Peak 4726 from aronoe.peaks (0.13, 7.24, 130.77 ppm; 3.49 A): 3 out of 6 assignments used, quality = 0.96: QG1 VAL 110 + QE PHE 96 OK 84 100 - 84 - 2.1/4727=23, 8408=17...(22) QD2 LEU 84 + QE PHE 96 OK 66 100 - 66 - 7478/2.2=14, 7478=13...(19) QD2 LEU 51 + QE PHE 96 OK 35 73 - 48 - 6940/2.2=11, ~6942=10...(12) QG1 VAL 110 - QE PHE 40 OK 12 52 - 23 - 7857/2.2=5, 2.1/4727=4...(8) QD2 LEU 84 - QE PHE 40 poor 9 52 - 16 - 7479/2.2=7, ~7476=3 QD2 LEU 51 - QE PHE 40 poor 6 32 - 19 - 2.1/6941=5, ~6938=4...(6) Peak 4727 from aronoe.peaks (0.02, 7.24, 130.77 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 110 + QE PHE 96 OK 92 100 - 93 - 4715/2.2=37, 4734/2.2=25...(23) QG2 VAL 110 + QE PHE 40 OK 18 52 - 34 - 6743/4.4=7, 7860/2.2=5...(13) Peak 4728 from aronoe.peaks (1.26, 7.08, 129.00 ppm; 3.97 A): 5 out of 7 assignments used, quality = 0.92: QG2 ILE 80 + HZ PHE 96 OK 68 100 - 68 - 7391/2.2=16, 3.2/7389=15...(20) QD1 ILE 80 + HZ PHE 96 OK 62 100 - 63 - 7397/2.2=14, 4.1/7389=13...(18) QG2 THR 116 + HZ PHE 96 OK 14 99 - 15 - 4721/2.2=2, 7987/7726=2...(4) HG LEU 54 + HZ PHE 96 OK 14 85 - 17 - 2.1/6981=5, 4721/2.2=2...(6) HG3 LYS 32 + HZ PHE 96 OK 10 100 - 10 - 4711/3.8=3, 4721/2.2=2 QG2 THR 19 - HZ PHE 96 lone 5 99 - 5 - HG13 ILE 124 - HZ PHE 96 lone 3 73 - 4 - Peak 4729 from aronoe.peaks (1.02, 7.08, 129.00 ppm; 3.80 A): 4 out of 5 assignments used, quality = 0.77: QD2 LEU 101 + HZ PHE 96 OK 62 92 - 68 - 7726=27, 2.1/8743=12...(19) HB3 LEU 27 + HZ PHE 96 OK 19 97 - 20 - 4722/2.2=3, ~6539=2...(7) QD1 LEU 58 + HZ PHE 96 OK 15 92 - 17 - 4722/2.2=3, ~6348=2, ~4722=1 QG1 VAL 120 + HZ PHE 96 OK 12 93 - 12 - 7401/4728=1, 7422/7389=1 QD2 LEU 58 - HZ PHE 96 poor 9 76 - 12 - 4722/2.2=2, ~4722=2, ~8135=1 Peak 4730 from aronoe.peaks (0.84, 7.08, 129.00 ppm; 4.49 A): 6 out of 10 assignments used, quality = 0.93: QD2 LEU 114 + HZ PHE 96 OK 59 99 - 60 - 7948=24, 7956/2.2=15...(13) HG13 ILE 80 + HZ PHE 96 OK 48 71 - 68 - 4.0/7389=17, 2.1/4728=15...(13) QD1 LEU 93 + HZ PHE 96 OK 37 92 - 40 - 4505=9, 3.1/4484=6...(11) QD2 LEU 91 + HZ PHE 96 OK 25 63 - 39 - 3.1/7582=7, 2.1/4731=7...(11) QD2 LEU 55 + HZ PHE 96 OK 18 100 - 18 - 2.1/7003=3, 4.0/7000=2...(5) HG13 ILE 22 + HZ PHE 96 OK 16 99 - 16 - ~6425=4, ~4830=2, 4723/2.2=2 QD1 LEU 59 - HZ PHE 96 lone 9 100 - 9 - 6929/6940=2 QG1 VAL 115 - HZ PHE 96 lone 6 93 - 7 - 5109/7389=1 HB2 ASN 118 - HZ PHE 96 lone 4 78 - 4 - QD2 LEU 126 - HZ PHE 96 lone 2 63 - 3 - Peak 4731 from aronoe.peaks (0.72, 7.08, 129.00 ppm; 4.24 A): 6 out of 8 assignments used, quality = 0.90: QD1 LEU 114 + HZ PHE 96 OK 55 100 - 55 - 2.1/7948=21, 6981=12...(11) QD1 LEU 84 + HZ PHE 96 OK 45 73 - 62 - 2.1/4733=13, 7481=11...(16) QD1 LEU 91 + HZ PHE 96 OK 32 83 - 39 - 3.1/7582=6, 2.1/7589=6...(12) QD2 LEU 54 + HZ PHE 96 OK 21 89 - 23 - 6981=6, 6928/6940=4...(9) QD2 LEU 111 + HZ PHE 96 OK 17 98 - 18 - 4724/2.2=3, 7875/4733=2...(7) HG LEU 111 + HZ PHE 96 OK 11 65 - 16 - 4724/2.2=2, ~4724=2...(7) QG1 VAL 66 - HZ PHE 96 lone 3 63 - 4 - 8012/7998=1 HG3 GLU 75 - HZ PHE 96 lone 3 81 - 3 - Peak 4732 from aronoe.peaks (0.60, 7.08, 129.00 ppm; 3.49 A): 3 out of 3 assignments used, quality = 0.68: QD1 LEU 51 + HZ PHE 96 OK 41 85 - 49 - 6942=19, 2.1/6940=16...(12) QG1 VAL 26 + HZ PHE 96 OK 29 98 - 30 - 4725/2.2=7, ~4725=4...(11) QG2 VAL 26 + HZ PHE 96 OK 22 78 - 28 - 4725/2.2=6, ~4725=4...(10) Peak 4733 from aronoe.peaks (0.14, 7.08, 129.00 ppm; 3.58 A): 3 out of 3 assignments used, quality = 0.93: QG1 VAL 110 + HZ PHE 96 OK 73 100 - 73 - 2.1/4734=20, ~4727=14...(17) QD2 LEU 84 + HZ PHE 96 OK 52 100 - 52 - 7478/2.2=12, 7478/3.8=10...(17) QD2 LEU 51 + HZ PHE 96 OK 49 85 - 57 - 6940=19, 2.1/6942=18...(14) Peak 4734 from aronoe.peaks (0.03, 7.08, 129.00 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 110 + HZ PHE 96 OK 85 92 - 93 - 4727/2.2=34, 4715/3.8=32...(18) Peak 4735 from aronoe.peaks (7.69, 7.22, 133.31 ppm; 3.96 A): 2 out of 5 assignments used, quality = 0.73: HE21 GLN 103 + QD TYR 102 OK 61 90 - 68 - 7763=23, 3.5/4740=16...(11) H LEU 111 + QD TYR 102 OK 30 99 - 30 - 4828/2.2=5, 561/2.5=5...(9) H LEU 58 - QD TYR 102 poor 8 60 - 14 - 4828/2.2=3, 4.8/4746=2...(4) H THR 121 - QD TYR 102 lone 8 100 - 8 - 4.0/4739=2, 4828/2.2=1 H SER 90 - QD TYR 102 lone 2 60 - 3 - Peak 4736 from aronoe.peaks (7.89, 7.22, 133.31 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.95: H GLN 103 + QD TYR 102 OK 95 100 - 95 - 4.7=72, 508/2.5=21...(19) H ASP 36 - QD TYR 102 OK 32 90 - 35 - 5839/2.5=7, 5838/3.7=7...(10) Peak 4737 from aronoe.peaks (8.48, 7.22, 133.31 ppm; 3.92 A): 3 out of 8 assignments used, quality = 0.95: H TYR 102 + QD TYR 102 OK 90 100 - 90 - 4.5=66, 2.9/4691=21...(14) H PHE 40 + QD TYR 102 OK 31 99 - 31 - 3.0/2740=6, 4698/2.5=4...(9) H LEU 77 + QD TYR 102 OK 29 63 - 46 - 4.7/7337=11, 4.7/7333=10...(7) H GLU 28 - QD TYR 102 OK 28 89 - 31 - 3.6/6539=6, 4.3/4744=4...(11) H LYS 31 - QD TYR 102 OK 16 92 - 18 - 3.9/6584=4, 3.9/6585=2...(6) H LEU 84 - QD TYR 102 OK 15 93 - 16 - 4698/2.5=2, 4692/2.5=2...(4) H SER 13 - QD TYR 102 poor 9 85 - 11 - 17/2.5=2, 4.6/4713=1, 4692/2.5=1 H GLY 2 - QD TYR 102 lone 4 99 - 3 - Peak 4738 from aronoe.peaks (4.57, 6.87, 117.78 ppm; 4.53 A): 5 out of 9 assignments used, quality = 0.76: HA ASN 99 + QE TYR 102 OK 51 89 - 58 - 6180/4.4=19, 6182/4.4=18...(8) HA LEU 45 + QE TYR 102 OK 22 83 - 27 - 4.0/4762=7, 3.0/4822=3...(9) HA GLU 69 + QE TYR 102 OK 18 100 - 18 - 4739/2.2=3, 3.0/4758=3...(8) HA ASN 79 + QE TYR 102 OK 14 65 - 21 - 4739/2.2=5, ~7378=4...(6) HB THR 121 + QE TYR 102 OK 11 95 - 11 - 4739/2.2=3, 4.0/4828=1...(4) HA ASP 47 - QE TYR 102 lone 10 99 - 10 - 3.0/197=3, 4739/2.2=2 HA GLU 82 - QE TYR 102 poor 10 60 - 16 - 4739/2.2=4, 4.1/4754=2...(6) HA THR 95 - QE TYR 102 lone 7 71 - 10 - 4739/2.2=3, 6183/4.4=2...(4) HA TRP 20 - QE TYR 102 lone 6 78 - 7 - 7331/7329=1, 7332/4750=1 Peak 4739 from aronoe.peaks (4.56, 7.22, 133.31 ppm; 4.02 A): 7 out of 8 assignments used, quality = 0.92: HA ASN 99 + QD TYR 102 OK 72 99 - 72 - 6180/2.5=29, 6182/2.5=27...(13) HA LEU 27 + QD TYR 102 OK 25 65 - 38 - 6539=7, 3.0/4744=5...(12) HA ASN 79 + QD TYR 102 OK 22 90 - 25 - 3.0/7378=5, 6183/2.5=3...(9) HA GLU 82 + QD TYR 102 OK 21 87 - 25 - 4.1/7444=4, 4.1/7445=3...(11) HB THR 121 + QD TYR 102 OK 15 100 - 15 - 4738/2.2=2, 6183/2.5=2...(6) HA GLU 69 + QD TYR 102 OK 14 90 - 15 - 4738/2.2=3, 6183/2.5=1...(6) HA THR 95 + QD TYR 102 OK 12 93 - 13 - 6183/2.5=2, 6181/2.5=2...(5) HA ASP 47 - QD TYR 102 lone 8 89 - 9 - ~197=2, 7760/2.2=2 Peak 4740 from aronoe.peaks (2.63, 7.22, 133.31 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.87: HG2 GLN 103 + QD TYR 102 OK 71 97 - 73 - 7761=20, 1.8/7762=16...(13) HE2 LYS 46 + QD TYR 102 OK 56 78 - 71 - 4753/2.2=15, 1.8/4741=15...(20) HB3 ASP 123 - QD TYR 102 lone 2 57 - 3 - HB3 ASP 97 - QD TYR 102 lone 1 63 - 1 - Peak 4741 from aronoe.peaks (2.53, 7.22, 133.31 ppm; 3.57 A): 4 out of 4 assignments used, quality = 0.95: HE3 LYS 46 + QD TYR 102 OK 72 99 - 73 - 1.8/4740=16, 4754/2.2=14...(21) HG3 GLN 103 + QD TYR 102 OK 72 96 - 75 - 1.8/4740=20, 7762=17...(14) HG2 GLU 82 + QD TYR 102 OK 20 94 - 21 - 7444=4, 1.8/7445=4...(8) HB3 ASP 36 + QD TYR 102 OK 16 87 - 18 - 4.0/4736=4, 7745/3.7=3...(8) Peak 4742 from aronoe.peaks (1.97, 7.22, 133.31 ppm; 4.64 A): 3 out of 19 assignments used, quality = 0.96: HB3 GLN 103 + QD TYR 102 OK 83 97 - 86 - 3.0/4740=23, 4.0/4736=22...(18) HB2 LYS 46 + QD TYR 102 OK 59 68 - 86 - 2.9/4820=17, 2.9/4820=17...(26) HG LEU 45 + QD TYR 102 OK 46 100 - 46 - 2.1/4748=9, ~4762=7...(12) HB3 PRO 30 - QD TYR 102 OK 22 73 - 30 - 1.8/6584=8, 6585=4...(9) HG LEU 114 - QD TYR 102 OK 17 99 - 17 - 2.1/7956=5, 4.3/4827=2...(4) HB ILE 124 - QD TYR 102 OK 17 97 - 17 - 3.0/4825=2, 7747/3.7=1...(5) HB2 LEU 41 - QD TYR 102 OK 15 97 - 15 - 7747/3.7=2, 2785/6853=1...(4) HB3 GLU 69 - QD TYR 102 OK 12 63 - 19 - ~7760=3, 3.0/4739=3...(9) HB2 MET 11 - QD TYR 102 OK 12 93 - 13 - 1287/4.7=3, 7747/3.7=1...(4) HB2 ARG 71 - QD TYR 102 lone 10 100 - 10 - 3.6/8559=1, 3.6/8558=1 HB3 LYS 119 - QD TYR 102 poor 9 63 - 15 - 2.9/4820=2, 6585=2...(5) HB3 ARG 85 - QD TYR 102 poor 9 73 - 11 - 3.9/4712=2, ~4312=1 HB2 ARG 85 - QD TYR 102 poor 9 73 - 11 - 3.9/4712=2, ~4312=1 HB3 PRO 68 - QD TYR 102 lone 8 97 - 8 - HG2 PRO 68 - QD TYR 102 lone 7 99 - 8 - HB2 LEU 55 - QD TYR 102 poor 6 60 - 11 - 3.0/4711=2, 7747/3.7=1...(4) HB2 GLU 94 - QD TYR 102 lone 5 68 - 8 - 1287/4.7=2, 2.9/4827=1 HB3 GLU 94 - QD TYR 102 lone 5 87 - 6 - 2.9/4827=1 HG2 PRO 60 - QD TYR 102 lone 4 81 - 5 - Peak 4743 from aronoe.peaks (1.78, 7.22, 133.31 ppm; 4.33 A): 4 out of 15 assignments used, quality = 0.95: HD3 LYS 109 + QD TYR 102 OK 60 97 - 62 - 3.0/4609=8, 3.0/4609=8...(25) HB3 LYS 46 + QD TYR 102 OK 58 71 - 82 - 2.9/4820=15, 2.9/4820=15...(24) HD2 LYS 109 + QD TYR 102 OK 58 93 - 62 - 3.0/4609=8, 3.0/4609=8...(25) HB2 GLU 75 + QD TYR 102 OK 35 100 - 35 - 8333=5, 3.0/4747=5...(11) HB2 LEU 45 - QD TYR 102 OK 34 76 - 45 - 3.1/4748=7, ~4762=4...(14) HG3 PRO 30 - QD TYR 102 OK 28 94 - 30 - 2.3/6584=6, 2.3/6585=4...(9) HB2 PRO 37 - QD TYR 102 OK 18 97 - 19 - 3.0/4608=4, 2677/3.7=2...(7) HG2 GLN 42 - QD TYR 102 OK 13 89 - 14 - 3.5/6781=3, 3.9/6772=1 HB VAL 66 - QD TYR 102 OK 11 60 - 18 - 2.1/4747=4, 4.0/305=3...(7) HB2 LYS 32 - QD TYR 102 OK 11 97 - 11 - 3.0/4745=2, 4822/2.2=1, ~7743=1 HB2 LEU 117 - QD TYR 102 lone 8 100 - 8 - HG3 ARG 71 - QD TYR 102 lone 8 83 - 9 - 3.0/8559=1, 3.0/8558=1 HG LEU 117 - QD TYR 102 lone 7 93 - 8 - HB2 PRO 60 - QD TYR 102 lone 2 65 - 3 - HB3 GLU 56 - QD TYR 102 lone 2 90 - 2 - Peak 4744 from aronoe.peaks (1.41, 7.22, 133.31 ppm; 4.35 A): 6 out of 11 assignments used, quality = 0.83: HB2 LEU 27 + QD TYR 102 OK 34 92 - 37 - 3.0/6539=8, 3.1/6534=6...(10) HB VAL 110 + QD TYR 102 OK 34 87 - 39 - 4.4/4735=7, 3.0/4610=6...(11) QB ALA 98 + QD TYR 102 OK 31 97 - 32 - 4.5/4739=9, 8360/2.5=6...(7) HB3 LEU 101 + QD TYR 102 OK 26 65 - 40 - 4.6/1283=10, 3.0/7719=7...(8) HB2 LEU 51 + QD TYR 102 OK 14 99 - 14 - 3.1/6939=4, 3.1/6941=4 HB2 LEU 111 + QD TYR 102 OK 12 78 - 16 - 3.8/4735=8, 7345/7337=1 HG LEU 59 - QD TYR 102 lone 6 97 - 6 - HB3 LEU 91 - QD TYR 102 lone 5 89 - 6 - 502/4.5=1 QB ALA 122 - QD TYR 102 lone 4 100 - 4 - QB ALA 89 - QD TYR 102 lone 3 63 - 5 - HB3 LEU 93 - QD TYR 102 lone 3 60 - 5 - Peak 4745 from aronoe.peaks (1.26, 7.22, 133.31 ppm; 3.31 A): 5 out of 8 assignments used, quality = 0.92: QD1 ILE 80 + QD TYR 102 OK 64 99 - 65 - 7414/2.5=19, 7397=17...(16) QG2 ILE 80 + QD TYR 102 OK 49 100 - 49 - 3.2/7397=9, ~7414=7...(16) HG LEU 77 + QD TYR 102 OK 42 60 - 70 - 2.1/7337=16, 2.1/4747=11...(18) HG LEU 54 + QD TYR 102 OK 16 83 - 19 - 2.1/8497=3, 2.1/4747=3...(8) QG2 THR 19 + QD TYR 102 OK 11 100 - 11 - 6378/3.7=3, 7767/4.7=1...(5) HG3 LYS 32 - QD TYR 102 lone 10 100 - 10 - 7736/4.5=1, 7738/3.7=1 QG2 THR 116 - QD TYR 102 lone 6 99 - 6 - 7736/4.5=1 HG13 ILE 124 - QD TYR 102 lone 6 76 - 8 - Peak 4746 from aronoe.peaks (1.00, 7.22, 133.31 ppm; 4.78 A): 5 out of 8 assignments used, quality = 0.93: QD1 LEU 101 + QD TYR 102 OK 54 93 - 58 - 4.9/1283=11, 7721/2.2=10...(16) HB3 LEU 27 + QD TYR 102 OK 47 99 - 48 - 3.0/6539=9, 1.8/4744=9...(11) HG3 LYS 65 + QD TYR 102 OK 34 85 - 40 - 4.0/4827=6, 3.0/4825=5...(14) HG2 LYS 65 + QD TYR 102 OK 34 85 - 40 - 4.0/4827=6, 3.0/4825=5...(14) QD1 LEU 58 + QD TYR 102 OK 30 100 - 30 - 2.1/6348=4, 7739/3.7=4...(8) QD2 LEU 58 - QD TYR 102 OK 25 99 - 25 - 6348=4, 7739/3.7=3...(7) QG1 VAL 18 - QD TYR 102 OK 20 92 - 21 - 2.1/6350=6, 6348=3...(6) QG2 THR 95 - QD TYR 102 poor 9 71 - 13 - 3.2/4739=2, ~6183=2...(4) Peak 4747 from aronoe.peaks (0.68, 7.22, 133.31 ppm; 4.19 A): 5 out of 6 assignments used, quality = 0.94: QD1 LEU 77 + QD TYR 102 OK 86 99 - 86 - 2.1/7337=23, ~7350=19...(17) HG3 GLU 75 + QD TYR 102 OK 24 81 - 30 - ~4758=5, 4761/2.2=5...(10) QD2 LEU 54 + QD TYR 102 OK 21 71 - 29 - 2.1/8497=7, ~6979=5...(8) QG1 VAL 66 + QD TYR 102 OK 17 93 - 18 - 4761/2.2=3, 4.0/305=3...(6) QD2 LEU 24 + QD TYR 102 OK 12 85 - 15 - 4761/2.2=4, 6463/8497=1 QD1 LEU 21 - QD TYR 102 poor 7 63 - 11 - 4761/2.2=2, 8344/7397=2, ~6396=1 Peak 4748 from aronoe.peaks (0.57, 7.22, 133.31 ppm; 3.53 A): 4 out of 4 assignments used, quality = 0.94: QD2 LEU 77 + QD TYR 102 OK 85 100 - 85 - 7337=25, 7350/2.5=24...(21) QD2 LEU 45 + QD TYR 102 OK 33 93 - 35 - 4762/2.2=6, 7742/2.5=4...(13) QG1 VAL 50 + QD TYR 102 OK 26 100 - 26 - 4762/2.2=4, 7742/2.5=4...(7) HG12 ILE 34 + QD TYR 102 OK 20 87 - 23 - 4762/2.2=4, 7742/2.5=3...(8) Peak 4749 from aronoe.peaks (3.74, 6.87, 117.78 ppm; 4.07 A): 3 out of 10 assignments used, quality = 0.65: HA GLU 73 + QE TYR 102 OK 54 100 - 54 - 7291=29, 3.0/4756=11...(8) HA LEU 54 + QE TYR 102 OK 14 99 - 14 - 4.0/6979=4, 4.0/7755=3 HD2 PRO 30 + QE TYR 102 OK 13 68 - 19 - ~6584=3, 3.0/4757=3...(7) HA GLU 38 - QE TYR 102 lone 8 87 - 9 - 6083/4750=1, 6081/7329=1 HA2 GLY 104 - QE TYR 102 lone 5 68 - 7 - ~7777=5 HA CYS 87 - QE TYR 102 lone 3 89 - 3 - HB3 SER 90 - QE TYR 102 lone 3 99 - 3 - HB3 SER 35 - QE TYR 102 lone 2 87 - 3 - HB3 SER 13 - QE TYR 102 lone 2 73 - 3 - HA3 GLY 86 - QE TYR 102 lone 1 85 - 2 - Peak 4750 from aronoe.peaks (3.12, 6.87, 117.78 ppm; 3.71 A): 1 out of 7 assignments used, quality = 0.53: HB3 CYS 76 + QE TYR 102 OK 53 100 - 53 - 1.8/4752=19, 7334=17...(7) HD3 ARG 57 - QE TYR 102 lone 8 99 - 7 - 3.5/4758=2, 2.9/4823=1 HD3 ARG 81 - QE TYR 102 lone 6 96 - 6 - 6082/7291=1 HB2 PHE 107 - QE TYR 102 lone 5 99 - 5 - 1.8/4752=2 HB3 CYS 52 - QE TYR 102 lone 4 100 - 4 - HD3 ARG 53 - QE TYR 102 lone 3 76 - 4 - HB3 ASP 100 - QE TYR 102 lone 3 100 - 3 - Peak 4751 from aronoe.peaks (3.00, 6.87, 117.78 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.96: HB3 TYR 102 + QE TYR 102 OK 96 99 - 97 - 4.4=93, 3.0/4690=17...(9) HE3 LYS 109 - QE TYR 102 OK 37 78 - 48 - 3.5/4823=6, ~4609=6...(15) HE2 LYS 109 - QE TYR 102 OK 37 78 - 48 - 3.5/4823=6, ~4609=6...(15) HA VAL 110 - QE TYR 102 OK 24 81 - 30 - 4610/2.2=6, 3.5/4828=5...(9) HB2 ASN 12 - QE TYR 102 poor 9 83 - 11 - 4610/2.2=3, 4695/4.4=2...(4) Peak 4752 from aronoe.peaks (2.83, 6.87, 117.78 ppm; 3.70 A): 2 out of 8 assignments used, quality = 0.65: HB2 CYS 76 + QE TYR 102 OK 59 96 - 62 - 1.8/4750=24, 7329=18...(7) HB2 ASN 99 + QE TYR 102 OK 15 97 - 16 - 3.0/4738=7, ~4739=5, 7348/4762=1 HB2 ASP 36 - QE TYR 102 poor 10 97 - 10 - 1.8/4754=2, 6668/5.7=2...(4) HB2 ASN 79 - QE TYR 102 lone 9 96 - 9 - 3.0/4738=2, ~4739=2 HB2 TYR 67 - QE TYR 102 lone 8 99 - 8 - 2.6/4709=2 HB3 TYR 67 - QE TYR 102 lone 8 99 - 8 - 2.6/4709=2 HB3 PHE 107 - QE TYR 102 lone 6 95 - 6 - 1.8/4750=2 HG CYS 52 - QE TYR 102 lone 2 81 - 2 - 3.4/4750=1 Peak 4753 from aronoe.peaks (2.64, 6.87, 117.78 ppm; 3.84 A): 2 out of 3 assignments used, quality = 0.86: HE2 LYS 46 + QE TYR 102 OK 64 89 - 72 - 1.8/4754=17, 4740/2.2=16...(17) HG2 GLN 103 + QE TYR 102 OK 62 100 - 62 - 4740/2.2=20, 1.8/4754=13...(10) HB3 ASP 123 - QE TYR 102 lone 2 71 - 2 - Peak 4754 from aronoe.peaks (2.53, 6.87, 117.78 ppm; 3.77 A): 5 out of 5 assignments used, quality = 0.91: HE3 LYS 46 + QE TYR 102 OK 72 100 - 72 - 1.8/4753=18, 4741/2.2=14...(17) HG3 GLN 103 + QE TYR 102 OK 53 89 - 60 - 1.8/4753=17, 4741/2.2=14...(10) HE2 LYS 65 + QE TYR 102 OK 13 65 - 20 - 8579=3, 5.0/4823=2...(7) HB3 ASP 36 + QE TYR 102 OK 11 95 - 12 - 1.8/4752=3, 4741/2.2=3...(4) HG2 GLU 82 + QE TYR 102 OK 11 87 - 13 - 7444/2.2=4, ~7445=3, 4.1/4738=1 Peak 4756 from aronoe.peaks (2.17, 6.87, 117.78 ppm; 4.24 A): 2 out of 6 assignments used, quality = 0.71: HB2 GLU 73 + QE TYR 102 OK 46 92 - 51 - 3.0/7291=21, 7292=13...(8) HG12 ILE 80 + QE TYR 102 OK 45 96 - 47 - ~7397=11, 2.1/7399=11...(8) HG2 PRO 37 - QE TYR 102 poor 8 65 - 12 - ~4608=3, ~4711=2...(4) HG2 GLU 69 - QE TYR 102 poor 8 68 - 11 - 4.0/7760=3, 3.0/4758=3 HB VAL 26 - QE TYR 102 lone 6 83 - 7 - 3908/7291=1 HB VAL 49 - QE TYR 102 lone 3 96 - 3 - Peak 4757 from aronoe.peaks (1.94, 6.87, 117.78 ppm; 4.13 A): 9 out of 17 assignments used, quality = 0.90: HB2 LYS 109 + QE TYR 102 OK 41 100 - 42 - 2.9/4823=7, ~4825=4...(12) HB ILE 80 + QE TYR 102 OK 39 92 - 42 - 3.0/4756=11, 3.2/7399=9...(7) HB3 GLU 73 + QE TYR 102 OK 32 68 - 47 - 3.0/7291=20, 1.8/4756=15...(5) HB3 PRO 30 + QE TYR 102 OK 22 97 - 23 - ~6584=4, 3.0/4749=4...(7) HB3 GLU 64 + QE TYR 102 OK 13 100 - 13 - 4.6/4709=3, 5671/2.2=2...(6) HB2 GLU 64 + QE TYR 102 OK 13 100 - 13 - 4.6/4709=3, 5670/2.2=2...(6) HB3 GLU 69 + QE TYR 102 OK 13 99 - 13 - 3.0/7760=4, 1.8/4758=3...(4) HB3 LYS 119 + QE TYR 102 OK 12 99 - 13 - 2.9/4759=2, 6585/2.2=2 HG LEU 58 + QE TYR 102 OK 12 100 - 12 - ~4746=2, ~6348=2...(4) HB2 LEU 21 - QE TYR 102 lone 7 97 - 7 - 3.1/4761=2, 3.1/6396=1 HB2 ARG 81 - QE TYR 102 lone 6 60 - 10 - 3.5/4750=2 HB2 GLU 38 - QE TYR 102 lone 5 100 - 5 - 3.0/4749=2 HB3 ARG 85 - QE TYR 102 lone 5 97 - 5 - 3.9/4706=1 HB2 ARG 85 - QE TYR 102 lone 5 97 - 5 - 3.9/4706=1 HB ILE 22 - QE TYR 102 lone 4 63 - 6 - ~6425=1 HB3 MET 11 - QE TYR 102 lone 3 81 - 3 - 1.8/8577=1 HB3 GLU 94 - QE TYR 102 lone 2 90 - 3 - Peak 4758 from aronoe.peaks (1.82, 6.87, 117.78 ppm; 3.52 A): 3 out of 13 assignments used, quality = 0.61: HG2 GLU 73 + QE TYR 102 OK 31 83 - 37 - 4.1/7291=11, 2.9/4756=9...(7) HG3 GLU 73 + QE TYR 102 OK 30 81 - 37 - 4.1/7291=11, 2.9/4756=9...(7) HG2 GLU 75 + QE TYR 102 OK 21 100 - 21 - 1.8/4761=4, ~4747=3...(9) HB3 ARG 57 - QE TYR 102 lone 10 99 - 10 - 3.5/4750=2, 4.2/4828=2 HB2 GLU 69 - QE TYR 102 lone 8 92 - 9 - 3.0/7760=2, 1.8/4757=2 HG13 ILE 63 - QE TYR 102 lone 4 100 - 4 - ~7125=1, ~7130=1 HG LEU 41 - QE TYR 102 lone 4 93 - 4 - HG3 ARG 53 - QE TYR 102 lone 3 98 - 3 - HG12 ILE 22 - QE TYR 102 lone 2 60 - 3 - ~6425=1 HB3 GLN 105 - QE TYR 102 lone 2 100 - 2 - HB2 PRO 60 - QE TYR 102 lone 2 92 - 2 - HB3 ARG 92 - QE TYR 102 lone 1 96 - 1 - HB3 GLU 56 - QE TYR 102 lone 1 68 - 1 - Peak 4759 from aronoe.peaks (1.33, 6.87, 117.78 ppm; 3.62 A): 3 out of 9 assignments used, quality = 0.91: HG2 LYS 46 + QE TYR 102 OK 68 100 - 68 - 4820/2.2=12, 3.9/4753=10...(20) HG3 LYS 46 + QE TYR 102 OK 68 100 - 68 - 4820/2.2=12, 3.9/4753=10...(20) QB ALA 43 + QE TYR 102 OK 12 99 - 12 - 2.1/6812=3, 4820/2.2=2, 6814=2 HG3 LYS 119 - QE TYR 102 poor 10 99 - 10 - 4820/2.2=2, 7737/5.7=1...(4) QG2 THR 17 - QE TYR 102 lone 7 100 - 7 - 4820/2.2=1, 6345=1, 7737/5.7=1 HB3 LEU 84 - QE TYR 102 lone 4 89 - 5 - QG2 THR 23 - QE TYR 102 lone 4 97 - 4 - HB3 LEU 59 - QE TYR 102 lone 2 85 - 2 - HG CYS 87 - QE TYR 102 lone 1 93 - 1 - Peak 4760 from aronoe.peaks (1.24, 6.87, 117.78 ppm; 4.11 A): 4 out of 9 assignments used, quality = 0.88: HG LEU 77 + QE TYR 102 OK 71 99 - 71 - 2.1/4762=18, 2.1/4761=18...(13) QD1 ILE 80 + QE TYR 102 OK 33 60 - 54 - 2.1/4756=13, 7414/4.4=11...(13) QG2 ILE 80 + QE TYR 102 OK 31 63 - 49 - 3.2/4756=11, 3.2/7399=9...(11) HG13 ILE 124 + QE TYR 102 OK 10 100 - 10 - 1.8/4823=2, ~4825=1 HB3 LEU 24 - QE TYR 102 poor 10 81 - 12 - 3.1/4761=3, ~4747=1, 3.0/4824=1 QG2 THR 19 - QE TYR 102 lone 8 87 - 9 - 6378/5.7=2, 7741/4.4=1...(4) HG3 LYS 32 - QE TYR 102 lone 8 81 - 10 - 4745/2.2=1, 7738/5.7=1 HB3 LEU 111 - QE TYR 102 lone 6 68 - 9 - 3.8/4828=4, ~4744=2 HG2 LYS 32 - QE TYR 102 lone 6 73 - 8 - ~4745=1, ~7757=1 Peak 4761 from aronoe.peaks (0.68, 6.87, 117.78 ppm; 4.09 A): 5 out of 6 assignments used, quality = 0.83: QD1 LEU 77 + QE TYR 102 OK 67 96 - 70 - 2.1/4762=18, 4747/2.2=17...(10) HG3 GLU 75 + QE TYR 102 OK 19 68 - 28 - 1.8/4758=8, 4747/2.2=5...(8) QD2 LEU 54 + QE TYR 102 OK 17 57 - 29 - 2.1/6979=6, ~8497=4...(9) QD2 LEU 24 + QE TYR 102 OK 14 93 - 15 - 4747/2.2=2, 3.1/4760=2...(4) QG1 VAL 66 + QE TYR 102 OK 11 85 - 13 - 4747/2.2=3, ~7199=2, ~7205=1 QD1 LEU 21 - QE TYR 102 lone 7 76 - 9 - 2.1/6396=1, 4747/2.2=1 Peak 4762 from aronoe.peaks (0.56, 6.87, 117.78 ppm; 3.99 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 77 + QE TYR 102 OK 80 97 - 82 - 7337/2.2=21, 7350/4.4=18...(16) QD2 LEU 45 + QE TYR 102 OK 37 99 - 37 - 4748/2.2=8, 4.0/7760=4...(12) QG1 VAL 50 + QE TYR 102 OK 25 100 - 25 - 4748/2.2=6, 7742/4.4=3...(6) HG12 ILE 34 + QE TYR 102 OK 21 96 - 22 - 4748/2.2=5, ~6630=3...(7) Peak 4764 from aronoe.peaks (8.84, 7.19, 131.77 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: H ASN 108 + QD PHE 107 OK 100 100 - 100 - 4.5=100 H ALA 14 + QD PHE 107 OK 53 100 - 54 - ~6316=12, 3.0/4615=8...(13) H VAL 50 - QD PHE 107 OK 26 100 - 26 - 5859/2.4=6, 1510/4.5=5...(7) Peak 4765 from aronoe.peaks (8.95, 7.19, 131.77 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.95: H PHE 107 + QD PHE 107 OK 95 98 - 97 - 4.5=88, 4827/2.4=30...(8) H LEU 54 - QD PHE 107 OK 33 100 - 33 - 4827/2.4=9, 4834/2.4=7...(9) Peak 4766 from aronoe.peaks (8.04, 7.19, 131.77 ppm; 4.61 A): 4 out of 5 assignments used, quality = 0.94: H GLN 42 + QD PHE 107 OK 85 97 - 87 - 4767/2.2=22, 8588=18...(19) H SER 112 + QD PHE 107 OK 47 98 - 48 - 4.6/4806=11, 4767/2.2=11...(12) H SER 78 + QD PHE 107 OK 18 60 - 31 - 4.3/8295=6, 4767/2.2=5...(9) H THR 19 + QD PHE 107 OK 12 73 - 16 - 4.3/4806=6, 4.3/4807=4 H THR 116 - QD PHE 107 lone 5 73 - 7 - 5884/7889=2, 5882/4806=1 Peak 4767 from aronoe.peaks (8.05, 6.99, 129.89 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.95: H GLN 42 + QE PHE 107 OK 91 100 - 91 - 6770=25, 3.0/6771=21...(22) H SER 112 + QE PHE 107 OK 45 83 - 54 - 4.6/7888=11, 4.6/7886=11...(15) H SER 78 - QE PHE 107 OK 21 87 - 24 - 4769/2.2=4, 4766/2.2=3...(8) Peak 4768 from aronoe.peaks (8.52, 6.99, 129.89 ppm; 4.58 A): 4 out of 10 assignments used, quality = 0.92: H GLU 38 + QE PHE 107 OK 65 100 - 66 - 3.0/6721=25, ~6720=11...(12) H LEU 41 + QE PHE 107 OK 58 76 - 76 - 4.3/6767=19, 4.1/6762=15...(12) H GLU 28 + QE PHE 107 OK 25 83 - 30 - 98/2.2=6, 4.8/8413=5...(6) H LEU 77 + QE PHE 107 OK 24 98 - 25 - 4.5/4767=3, 4.0/7888=3...(8) H LEU 84 - QE PHE 107 OK 21 76 - 28 - 4.6/4798=9, 4.6/4796=4...(6) H ARG 53 - QE PHE 107 OK 15 71 - 22 - 1462/6.5=4, 234/4.4=3...(8) H GLU 94 - QE PHE 107 OK 15 81 - 18 - 4.4/4792=3, 4.4/4791=1 H PHE 40 - QE PHE 107 poor 10 57 - 17 - 1582/4767=3, 1579/6721=2...(4) H LYS 31 - QE PHE 107 poor 8 78 - 10 - 3.9/4788=2, 4.7/4792=1 H SER 13 - QE PHE 107 lone 8 87 - 9 - 4.0/4782=2, 6314/6316=1 Peak 4769 from aronoe.peaks (8.05, 6.75, 127.42 ppm; 4.36 A): 3 out of 3 assignments used, quality = 0.92: H GLN 42 + HZ PHE 107 OK 85 100 - 85 - 4767/2.2=22, 3.0/4770=17...(20) H SER 112 + HZ PHE 107 OK 37 82 - 46 - 4767/2.2=11, 4.6/4777=10...(10) H SER 78 + HZ PHE 107 OK 17 86 - 20 - 4767/2.2=5, 4.3/4777=3...(4) Peak 4770 from aronoe.peaks (3.21, 6.75, 127.42 ppm; 4.17 A): 5 out of 6 assignments used, quality = 0.92: HA GLN 42 + HZ PHE 107 OK 80 99 - 81 - 6771/2.2=24, 3.0/4769=18...(19) HD2 ARG 81 + HZ PHE 107 OK 35 99 - 35 - 4784/2.2=10, 2.9/4624=7...(8) HD2 ARG 71 + HZ PHE 107 OK 15 93 - 16 - 4784/2.2=4, 4813/3.8=2...(6) HB3 PHE 83 + HZ PHE 107 OK 13 100 - 13 - 4784/2.2=3, 7471/5.8=2...(4) HD3 ARG 71 + HZ PHE 107 OK 12 80 - 15 - ~4784=3, 4813/3.8=3...(5) HB3 TRP 20 - HZ PHE 107 lone 3 88 - 4 - Peak 4771 from aronoe.peaks (4.00, 6.99, 129.89 ppm; 4.21 A): 5 out of 5 assignments used, quality = 0.95: HA PHE 107 + QE PHE 107 OK 78 99 - 79 - 5.6=42, 4826/2.2=23...(14) HA ALA 14 + QE PHE 107 OK 39 81 - 49 - 2.1/6316=17, 4615/2.2=8...(13) HA ARG 81 + QE PHE 107 OK 38 99 - 39 - 4615/2.2=7, 4.7/4784=6...(13) HA LEU 117 + QE PHE 107 OK 29 95 - 30 - 4615/2.2=4, 3.0/4789=4...(12) HA THR 62 + QE PHE 107 OK 10 99 - 10 - 4615/2.2=2 Peak 4772 from aronoe.peaks (4.48, 7.19, 131.77 ppm; 4.43 A): 4 out of 7 assignments used, quality = 0.81: HA LEU 101 + QD PHE 107 OK 67 99 - 68 - 4.0/8152=19...(14) HA PRO 70 + QD PHE 107 OK 20 100 - 20 - 2.3/4800=3, 4673/8152=2...(9) HA ARG 71 + QD PHE 107 OK 19 100 - 19 - 4.7/4813=3, 4.7/4813=2...(7) HA PRO 30 + QD PHE 107 OK 14 87 - 16 - 3.8/6586=2, 2.3/6585=2...(6) HA LEU 91 - QD PHE 107 lone 7 78 - 9 - 4673/8152=2 HA PRO 60 - QD PHE 107 lone 3 90 - 4 - HA SER 90 - QD PHE 107 lone 3 83 - 3 - Peak 4773 from aronoe.peaks (1.97, 6.75, 127.42 ppm; 3.82 A): 6 out of 19 assignments used, quality = 0.94: HB2 LEU 41 + HZ PHE 107 OK 79 96 - 82 - 3.0/4774=16, 6760/2.2=13...(20) HG LEU 45 + HZ PHE 107 OK 47 100 - 48 - ~6849=14, 2.1/4780=9...(12) HB3 ARG 85 + HZ PHE 107 OK 16 73 - 22 - ~7500=3, ~7498=3...(10) HB2 ARG 85 + HZ PHE 107 OK 16 73 - 22 - ~7500=3, ~7498=3...(10) HB ILE 124 + HZ PHE 107 OK 16 96 - 16 - ~4794=2, 3.2/7815=2...(7) HG LEU 114 + HZ PHE 107 OK 13 98 - 13 - 2.1/4779=2, 2.1/7950=2...(7) HB3 PRO 30 - HZ PHE 107 poor 9 73 - 13 - ~7826=2, ~4782=2...(5) HB2 ARG 71 - HZ PHE 107 lone 9 100 - 9 - 3.6/4770=2, 3.6/4770=2 HB2 LYS 46 - HZ PHE 107 poor 7 68 - 11 - ~6777=2, ~4783=1, 1.8/2849=1 HB3 PRO 68 - HZ PHE 107 lone 7 96 - 7 - HG2 PRO 68 - HZ PHE 107 lone 6 98 - 6 - HB2 LEU 55 - HZ PHE 107 lone 5 60 - 8 - 6760/2.2=1, 8294/3.8=1 HB3 GLN 103 - HZ PHE 107 lone 5 96 - 5 - 4.4/7778=2 HG2 PRO 60 - HZ PHE 107 lone 4 80 - 5 - HB3 GLU 94 - HZ PHE 107 lone 3 86 - 4 - HB2 GLU 94 - HZ PHE 107 lone 3 68 - 4 - HB2 MET 11 - HZ PHE 107 lone 2 93 - 2 - HB3 LYS 119 - HZ PHE 107 lone 2 62 - 3 - HB3 GLU 69 - HZ PHE 107 lone 2 62 - 2 - Peak 4774 from aronoe.peaks (1.82, 6.75, 127.42 ppm; 3.66 A): 4 out of 13 assignments used, quality = 0.78: HG LEU 41 + HZ PHE 107 OK 69 93 - 75 - 2.1/6768=14, ~6767=12...(19) HG3 ARG 53 + HZ PHE 107 OK 11 98 - 12 - 5618/8.2=2, ~4665=1...(4) HB3 ARG 57 + HZ PHE 107 OK 10 99 - 11 - ~6726=2 HG13 ILE 63 + HZ PHE 107 OK 10 100 - 10 - ~4794=2, 3.2/4779=1...(4) HG2 GLU 75 - HZ PHE 107 lone 9 99 - 9 - ~4789=2, 8331/3.8=2...(4) HG12 ILE 22 - HZ PHE 107 lone 5 60 - 8 - 3.9/6423=2 HB2 PRO 60 - HZ PHE 107 lone 3 91 - 3 - HG2 GLU 73 - HZ PHE 107 lone 2 82 - 3 - HB2 GLU 69 - HZ PHE 107 lone 2 91 - 2 - HG3 GLU 73 - HZ PHE 107 lone 2 80 - 3 - HB3 GLU 56 - HZ PHE 107 lone 2 68 - 3 - HB3 ARG 92 - HZ PHE 107 lone 1 95 - 1 - HB3 GLN 105 - HZ PHE 107 lone 1 100 - 1 - Peak 4775 from aronoe.peaks (1.65, 6.75, 127.42 ppm; 3.70 A): 3 out of 11 assignments used, quality = 0.96: HB3 LEU 41 + HZ PHE 107 OK 78 98 - 80 - 3.0/4774=15, 6762/2.2=12...(20) HB3 GLN 42 + HZ PHE 107 OK 70 96 - 73 - 3.0/4770=12, 4.0/4769=11...(18) HG LEU 27 + HZ PHE 107 OK 42 99 - 42 - 2283=6, 2.1/2297=5...(13) HG LEU 101 - HZ PHE 107 OK 29 62 - 47 - 2.1/7722=9, ~4794=8...(13) HG LEU 51 - HZ PHE 107 OK 29 94 - 31 - 2.1/4780=6, 2.1/4781=5...(9) HG3 ARG 85 - HZ PHE 107 OK 24 100 - 24 - 7500/2.2=5, ~7503=4...(8) HB3 LYS 32 - HZ PHE 107 lone 8 98 - 8 - 3.0/4777=1, ~4789=1 HB ILE 34 - HZ PHE 107 lone 7 100 - 7 - 4790/2.2=1 HB2 LEU 59 - HZ PHE 107 lone 4 75 - 5 - HD3 LYS 31 - HZ PHE 107 lone 2 68 - 3 - HD2 LYS 31 - HZ PHE 107 lone 2 68 - 3 - Peak 4776 from aronoe.peaks (1.44, 6.75, 127.42 ppm; 4.68 A): 5 out of 16 assignments used, quality = 0.94: HB3 LEU 101 + HZ PHE 107 OK 63 100 - 63 - 4658/2.2=12, 3.1/7722=11...(13) HB3 LEU 45 + HZ PHE 107 OK 54 99 - 55 - ~6849=17, 3.1/4780=10...(12) HB2 LEU 51 + HZ PHE 107 OK 31 75 - 41 - 3.1/4780=7, 3.1/4781=7...(10) HG LEU 24 + HZ PHE 107 OK 27 99 - 28 - 2.1/6477=6, 3.0/4777=5...(7) QB ALA 14 + HZ PHE 107 OK 26 78 - 34 - 6316/2.2=17, ~4771=6...(9) QB ALA 98 - HZ PHE 107 OK 24 82 - 29 - 3.5/1266=6, 7566/2.2=5...(8) HB3 GLU 75 - HZ PHE 107 OK 24 99 - 24 - 8332/3.8=6, ~4789=4...(6) HD3 LYS 65 - HZ PHE 107 OK 15 100 - 15 - ~4794=3, 4791/2.2=3...(6) HD2 LYS 65 - HZ PHE 107 OK 15 100 - 15 - ~4794=3, 4791/2.2=3...(6) HD2 LYS 46 - HZ PHE 107 OK 13 91 - 15 - ~6777=2, 4791/2.2=2...(5) HG3 ARG 57 - HZ PHE 107 OK 13 73 - 18 - 3.0/4774=3, ~6726=3...(6) HB2 LEU 93 - HZ PHE 107 OK 13 78 - 16 - ~4792=3, 3.1/4779=2...(6) HB3 LEU 91 - HZ PHE 107 poor 10 93 - 10 - 4791/2.2=1, 3.1/4779=1, ~7822=1 QB ALA 89 - HZ PHE 107 lone 6 100 - 6 - 7566/2.2=2 HG3 LYS 31 - HZ PHE 107 lone 5 82 - 6 - ~4792=1 HG2 LYS 119 - HZ PHE 107 lone 4 88 - 5 - Peak 4777 from aronoe.peaks (1.19, 6.75, 127.42 ppm; 4.22 A): 4 out of 5 assignments used, quality = 0.83: HB3 LEU 111 + HZ PHE 107 OK 62 80 - 78 - 7888/2.2=15, ~7890=12...(18) QG2 VAL 18 + HZ PHE 107 OK 34 94 - 36 - 8394=6, 6350/3.8=5...(11) HB3 LEU 24 + HZ PHE 107 OK 18 68 - 26 - 3.1/6477=4, 4793/2.2=3...(11) HB2 LEU 77 + HZ PHE 107 OK 17 100 - 17 - 7888/2.2=3, 4.3/4769=3...(5) HG2 LYS 32 - HZ PHE 107 lone 7 75 - 9 - 4793/2.2=1, ~4789=1 Peak 4778 from aronoe.peaks (0.90, 6.75, 127.42 ppm; 3.45 A): 4 out of 13 assignments used, quality = 0.92: QD2 LEU 41 + HZ PHE 107 OK 74 99 - 75 - 6767/2.2=18, 2.1/4774=16...(21) HB2 GLN 42 + HZ PHE 107 OK 54 80 - 67 - 3.0/4770=11, 4.0/4769=9...(19) QD2 LEU 27 + HZ PHE 107 OK 24 65 - 37 - 2.1/2283=5, 3.1/2269=4...(14) QD1 ILE 124 + HZ PHE 107 OK 13 98 - 13 - 4795/2.2=3, 3.2/4773=1...(4) QD1 LEU 117 - HZ PHE 107 lone 8 94 - 9 - 4795/2.2=2, ~4789=1...(4) QG1 VAL 49 - HZ PHE 107 lone 8 93 - 9 - 4795/2.2=2, 6902/5.8=1 HG13 ILE 80 - HZ PHE 107 poor 8 65 - 13 - ~7398=4, ~7393=3, 4795/2.2=3 QG2 ILE 22 - HZ PHE 107 lone 5 62 - 9 - 3.2/6423=2, 3.2/7813=1 QG2 VAL 49 - HZ PHE 107 lone 4 73 - 6 - ~4795=1 QG2 VAL 115 - HZ PHE 107 lone 4 62 - 6 - QD2 LEU 59 - HZ PHE 107 lone 4 93 - 4 - 4795/2.2=1 QD1 LEU 126 - HZ PHE 107 lone 3 95 - 3 - QD2 LEU 126 - HZ PHE 107 lone 2 73 - 3 - Peak 4779 from aronoe.peaks (0.74, 6.75, 127.42 ppm; 3.84 A): 3 out of 7 assignments used, quality = 0.94: QD2 LEU 111 + HZ PHE 107 OK 73 99 - 74 - ~7890=13, 7893/2.2=13...(17) HG LEU 111 + HZ PHE 107 OK 71 95 - 75 - ~7890=13, 4796/2.2=12...(17) QD1 LEU 84 + HZ PHE 107 OK 27 98 - 28 - 2.1/4781=9, ~4798=7...(5) QG2 ILE 63 - HZ PHE 107 OK 12 78 - 15 - 4796/2.2=4, 7125/3.8=3...(5) QD1 LEU 114 - HZ PHE 107 OK 12 91 - 13 - 2.1/7950=2, 7822/2.2=2...(5) QD2 LEU 93 - HZ PHE 107 poor 10 90 - 11 - 4796/2.2=2, ~4792=1, 7894=1 QD1 LEU 91 - HZ PHE 107 lone 6 99 - 6 - 4796/2.2=1 Peak 4780 from aronoe.peaks (0.64, 6.75, 127.42 ppm; 3.77 A): 6 out of 6 assignments used, quality = 0.89: QD1 LEU 45 + HZ PHE 107 OK 47 97 - 48 - 6849/2.2=22, 2.1/4773=6...(11) QG2 VAL 26 + HZ PHE 107 OK 41 97 - 42 - 5497=11, 4797/2.2=6...(10) QD1 LEU 51 + HZ PHE 107 OK 33 94 - 36 - 4797/2.2=7, 2.1/4781=6...(11) QG1 VAL 26 + HZ PHE 107 OK 27 75 - 36 - 2.1/5497=8, 5498=5...(9) QD1 LEU 21 + HZ PHE 107 OK 16 84 - 19 - 6398=4, 4797/2.2=4...(5) QD2 LEU 24 + HZ PHE 107 OK 14 62 - 22 - 4797/2.2=4, 3.1/4777=3...(9) Peak 4781 from aronoe.peaks (0.13, 6.75, 127.42 ppm; 4.28 A): 3 out of 3 assignments used, quality = 0.89: QG1 VAL 110 + HZ PHE 107 OK 74 99 - 75 - 4798/2.2=30, ~4799=25...(13) QD2 LEU 84 + HZ PHE 107 OK 41 99 - 42 - 4798/2.2=14, 8518/3.8=12...(8) QD2 LEU 51 + HZ PHE 107 OK 28 65 - 43 - 2.1/4780=8, 7824/2.2=6...(12) Peak 4782 from aronoe.peaks (3.74, 6.99, 129.89 ppm; 3.81 A): 3 out of 9 assignments used, quality = 0.76: HA GLU 38 + QE PHE 107 OK 68 95 - 72 - 6721=26, 6720/2.2=12...(18) HD2 PRO 30 + QE PHE 107 OK 16 81 - 20 - 2.3/4789=2, ~6586=2...(7) HA LEU 54 + QE PHE 107 OK 13 100 - 13 - ~4765=4, 3177/6.5=3 HA CYS 87 - QE PHE 107 lone 8 96 - 9 - 3.0/4787=1 HA GLU 73 - QE PHE 107 lone 8 100 - 8 - 6080/4.4=1, 6082/4.4=1 HB3 SER 13 - QE PHE 107 lone 7 85 - 8 - 7900/7890=1, 6311/6316=1 HB3 SER 35 - QE PHE 107 lone 3 95 - 4 - HB3 SER 90 - QE PHE 107 lone 3 96 - 3 - HA3 GLY 86 - QE PHE 107 lone 1 73 - 2 - Peak 4783 from aronoe.peaks (3.62, 6.99, 129.89 ppm; 4.49 A): 3 out of 7 assignments used, quality = 0.94: HA LEU 111 + QE PHE 107 OK 76 96 - 80 - 4.0/7890=19, 3.0/7888=18...(19) HA LEU 41 + QE PHE 107 OK 64 73 - 88 - 4.1/6767=20, 3.6/4767=18...(21) HA ILE 80 + QE PHE 107 OK 33 89 - 37 - 3.2/7393=10, 4.1/7398=7...(10) HA LYS 46 - QE PHE 107 OK 21 87 - 24 - 3.0/6777=3, 2806/6767=2...(10) HD2 PRO 70 - QE PHE 107 OK 21 99 - 21 - 3.0/4787=3, ~4800=2...(6) HA VAL 115 - QE PHE 107 OK 18 100 - 18 - 5019/7890=2, 4998/7886=2...(4) HA2 GLY 39 - QE PHE 107 OK 15 92 - 17 - 6011/4767=4, ~8146=2...(4) Peak 4784 from aronoe.peaks (3.21, 6.99, 129.89 ppm; 3.58 A): 5 out of 6 assignments used, quality = 0.93: HA GLN 42 + QE PHE 107 OK 82 100 - 82 - 6771=23, 4770/2.2=13...(27) HD2 ARG 81 + QE PHE 107 OK 39 97 - 40 - 2.9/4854=6, 4813/2.2=6...(14) HD2 ARG 71 + QE PHE 107 OK 16 98 - 16 - 4770/2.2=2, ~4813=2...(5) HB3 PHE 83 + QE PHE 107 OK 13 100 - 13 - 7471/4.4=2, 4770/2.2=2...(4) HD3 ARG 71 + QE PHE 107 OK 10 68 - 15 - 4813/2.2=2, 4770/2.2=2...(4) HB3 TRP 20 - QE PHE 107 lone 4 96 - 4 - Peak 4785 from aronoe.peaks (3.10, 6.99, 129.89 ppm; 4.58 A): 1 out of 8 assignments used, quality = 0.98: HB2 PHE 107 + QE PHE 107 OK 98 98 - 100 - 4.4=100 HD3 ARG 81 - QE PHE 107 OK 35 63 - 56 - 1.8/4784=11, 2.9/4854=8...(15) HB3 ASP 100 - QE PHE 107 OK 32 93 - 35 - 8150/4799=9, 5831=6...(10) HB3 CYS 76 - QE PHE 107 OK 24 96 - 25 - 4616/2.2=4, 1.8/4786=3...(10) HD3 ARG 53 - QE PHE 107 OK 24 99 - 24 - 4616/2.2=3, ~4813=3...(11) HD3 ARG 57 - QE PHE 107 OK 20 78 - 25 - 3.5/6726=4, 4616/2.2=3...(10) HB3 CYS 52 - QE PHE 107 OK 19 93 - 21 - 4616/2.2=4, 6955/4.4=4...(8) HB3 HIS 10 - QE PHE 107 lone 2 89 - 2 - Peak 4786 from aronoe.peaks (2.83, 6.99, 129.89 ppm; 4.42 A): 2 out of 8 assignments used, quality = 0.97: HB3 PHE 107 + QE PHE 107 OK 94 95 - 100 - 4.4=100 HB2 ASN 99 + QE PHE 107 OK 44 97 - 45 - 3.0/6178=7, 4839=6...(14) HB3 TYR 67 - QE PHE 107 OK 43 99 - 44 - 2.6/4854=9, 4617/2.2=7...(12) HB2 TYR 67 - QE PHE 107 OK 43 99 - 44 - 2.6/4854=9, 4617/2.2=7...(12) HB2 CYS 76 - QE PHE 107 OK 22 96 - 23 - 3985/4.4=4, 7328/2.2=4...(7) HB2 ASN 79 - QE PHE 107 OK 10 96 - 11 - 4617/2.2=2, ~8146=1 HG CYS 52 - QE PHE 107 OK 10 81 - 12 - 3.4/4785=2, 4617/2.2=2...(5) HB2 ASP 36 - QE PHE 107 lone 4 97 - 4 - Peak 4787 from aronoe.peaks (2.25, 6.99, 129.89 ppm; 3.68 A): 5 out of 14 assignments used, quality = 0.93: HG3 GLU 38 + QE PHE 107 OK 66 96 - 69 - 6718=18, 1.8/6718=15...(16) HG2 GLU 38 + QE PHE 107 OK 65 95 - 69 - 6718=18, 1.8/6718=15...(16) HB3 LEU 117 + QE PHE 107 OK 20 83 - 24 - 1.8/4789=4, 3.0/4771=3...(9) HG3 GLU 64 + QE PHE 107 OK 16 90 - 18 - 5.0/7159=9, 4800/2.2=2...(5) HB2 PRO 70 + QE PHE 107 OK 15 98 - 15 - 4800/2.2=3, ~4772=2...(4) HB2 CYS 87 - QE PHE 107 lone 8 90 - 9 - 3.0/4782=2, 7547/4798=1 HB2 PRO 68 - QE PHE 107 lone 7 85 - 8 - 4800/2.2=2, ~7239=1 HG2 GLU 94 - QE PHE 107 lone 5 93 - 6 - HG2 GLU 56 - QE PHE 107 lone 5 99 - 5 - HG3 GLU 15 - QE PHE 107 lone 5 100 - 5 - 6321/6316=1 HG3 GLU 94 - QE PHE 107 lone 5 90 - 5 - HG3 GLU 28 - QE PHE 107 lone 4 81 - 5 - 5.1/4768=1 HG2 GLU 28 - QE PHE 107 lone 4 76 - 5 - 5.1/4768=1 HG3 GLN 105 - QE PHE 107 lone 1 60 - 2 - Peak 4788 from aronoe.peaks (1.96, 6.99, 129.89 ppm; 3.81 A): 4 out of 20 assignments used, quality = 0.96: HB2 LEU 41 + QE PHE 107 OK 70 81 - 86 - 3.1/6767=18, 1.8/6762=14...(28) HB2 GLU 38 + QE PHE 107 OK 55 83 - 66 - 3.0/6721=18, 3.0/6718=12...(15) HG LEU 45 + QE PHE 107 OK 52 97 - 53 - 2.1/6849=23, 4773/2.2=6...(12) HB2 ARG 85 + QE PHE 107 OK 34 93 - 37 - 3.9/7503=6, 3.0/7500=5...(15) HB3 ARG 85 - QE PHE 107 OK 34 93 - 37 - 3.9/7503=6, 3.0/7500=5...(15) HB3 PRO 30 - QE PHE 107 OK 21 93 - 22 - 3.0/4782=4, 2.3/4789=2...(9) HB ILE 124 - QE PHE 107 OK 20 81 - 25 - 2.1/4794=4, 3.2/4795=3...(8) HB2 GLU 64 - QE PHE 107 OK 19 73 - 26 - 4.0/7159=13, 3.0/4787=2...(8) HB3 GLU 64 - QE PHE 107 OK 17 68 - 26 - 4.0/7159=13, 3.0/4787=2...(7) HG LEU 114 - QE PHE 107 OK 14 87 - 16 - 7232/4798=2, 2.1/4795=2...(6) HB2 ARG 71 - QE PHE 107 OK 13 96 - 14 - 3.6/4784=3, ~4772=2...(5) HB2 LYS 109 - QE PHE 107 OK 12 73 - 16 - 8450/4799=6, 4.0/549=4 HG2 PRO 68 - QE PHE 107 lone 8 87 - 10 - ~7239=2, 2.3/4787=1 HB3 GLU 94 - QE PHE 107 lone 8 99 - 8 - 4.0/4768=1 HB3 PRO 68 - QE PHE 107 lone 8 81 - 10 - ~7239=1, 1.8/4787=1, ~4800=1 HG LEU 58 - QE PHE 107 poor 7 60 - 11 - 2.1/4794=2, 2.1/7820=1...(4) HB3 LYS 119 - QE PHE 107 lone 5 87 - 6 - HB3 GLN 103 - QE PHE 107 lone 4 81 - 5 - 4.0/1736=2 HB3 GLU 69 - QE PHE 107 lone 4 87 - 5 - 4.8/4783=1 HB2 MET 11 - QE PHE 107 lone 2 73 - 3 - Peak 4789 from aronoe.peaks (1.79, 6.99, 129.89 ppm; 4.04 A): 9 out of 14 assignments used, quality = 0.89: HG2 GLN 42 + QE PHE 107 OK 51 63 - 81 - 1.8/6779=16, 3.9/6771=16...(24) HB2 GLU 75 + QE PHE 107 OK 26 96 - 27 - ~8332=4, ~8329=4...(10) HB2 LEU 117 + QE PHE 107 OK 24 93 - 26 - 3.0/4771=4, 1.8/4787=4...(9) HB2 PRO 37 + QE PHE 107 OK 17 100 - 17 - 3.9/4768=5, 6307/6316=2...(4) HG3 PRO 30 + QE PHE 107 OK 16 73 - 21 - 2.3/4782=5, ~6586=2...(7) HG LEU 117 + QE PHE 107 OK 15 71 - 21 - 3.6/4771=4, 3.0/4787=3...(8) HB3 ARG 57 + QE PHE 107 OK 14 71 - 19 - 1.8/6726=3, ~4801=2...(6) HG2 GLU 75 + QE PHE 107 OK 13 68 - 19 - ~8552=4, ~8332=3...(8) HB2 LYS 32 + QE PHE 107 OK 12 100 - 11 - 3.0/4793=2, 1.8/4790=1 HD3 LYS 109 - QE PHE 107 lone 6 78 - 8 - 6.2/549=3 HD2 LYS 109 - QE PHE 107 lone 6 71 - 8 - 6.2/549=3 HB3 GLU 56 - QE PHE 107 lone 6 100 - 6 - HB2 PRO 60 - QE PHE 107 lone 5 90 - 6 - HB3 ARG 92 - QE PHE 107 lone 1 85 - 2 - Peak 4790 from aronoe.peaks (1.66, 6.99, 129.89 ppm; 3.71 A): 4 out of 8 assignments used, quality = 0.99: HB3 LEU 41 + QE PHE 107 OK 87 100 - 87 - 3.1/6767=17, 6762=13...(28) HB3 GLN 42 + QE PHE 107 OK 66 81 - 82 - 3.0/6771=17, 1.8/6773=12...(26) HG3 GLN 42 + QE PHE 107 OK 47 63 - 75 - 3.9/6771=14, 1.8/6777=11...(24) HG LEU 27 + QE PHE 107 OK 45 100 - 45 - 2.1/8413=6, 2283/2.2=5...(18) HG3 ARG 85 - QE PHE 107 OK 33 96 - 34 - 3.0/7503=7, 1.8/7498=5...(10) HG LEU 51 - QE PHE 107 OK 32 76 - 42 - 2.1/4797=7, 2.1/7824=5...(14) HB ILE 34 - QE PHE 107 OK 11 97 - 11 - ~6623=2, ~6630=2, 4804/2.2=1 HB3 LYS 32 - QE PHE 107 poor 10 87 - 11 - 1.8/4789=2, 3.0/4793=2 Peak 4791 from aronoe.peaks (1.44, 6.99, 129.89 ppm; 3.93 A): 5 out of 17 assignments used, quality = 0.95: HB3 LEU 101 + QE PHE 107 OK 71 100 - 71 - 3.1/4794=13, ~8152=10...(20) HB3 LEU 45 + QE PHE 107 OK 48 99 - 49 - 3.1/6849=20, ~4810=5...(13) HB3 GLU 75 + QE PHE 107 OK 33 99 - 33 - 8332/2.2=5, 1.8/4789=4...(13) QB ALA 14 + QE PHE 107 OK 33 76 - 43 - 6316=13, 2.1/4771=6...(13) HB2 LEU 51 + QE PHE 107 OK 31 78 - 39 - 3.1/4797=6, 3.1/7824=4...(13) HG LEU 24 - QE PHE 107 OK 28 99 - 29 - 3.0/4793=4, 2.1/4797=4...(11) HD3 LYS 65 - QE PHE 107 OK 23 100 - 23 - 2.9/4794=4, 2.9/4794=4...(9) HD2 LYS 65 - QE PHE 107 OK 23 100 - 23 - 2.9/4794=4, 2.9/4794=4...(9) QB ALA 98 - QE PHE 107 OK 23 85 - 27 - 3.5/1723=4, 4.5/6178=4...(8) HG3 ARG 57 - QE PHE 107 OK 15 71 - 21 - 3.0/6726=3, 2.9/4785=2...(9) HD2 LYS 46 - QE PHE 107 OK 15 90 - 16 - 3.5/6777=2, 5.2/4783=1...(5) HB2 LEU 93 - QE PHE 107 OK 14 76 - 18 - 1.8/4792=3, 3.1/4796=2...(5) HB3 LEU 91 - QE PHE 107 OK 12 95 - 12 - 3.1/4796=1 QB ALA 89 - QE PHE 107 lone 6 100 - 6 - 7566=1 HG3 LYS 31 - QE PHE 107 lone 5 81 - 7 - 1.8/4792=1 HG2 LYS 119 - QE PHE 107 lone 5 87 - 6 - QB ALA 122 - QE PHE 107 lone 1 60 - 2 - Peak 4792 from aronoe.peaks (1.37, 6.99, 129.89 ppm; 4.09 A): 4 out of 6 assignments used, quality = 0.88: HB2 LEU 111 + QE PHE 107 OK 62 73 - 85 - 3.1/7890=20, 1.8/7888=18...(23) HB VAL 110 + QE PHE 107 OK 54 63 - 86 - 2.1/4799=38, 2.1/4798=29...(13) HB3 LEU 93 + QE PHE 107 OK 16 89 - 18 - 3.1/4796=2, 1.8/4791=1...(4) QG2 THR 121 + QE PHE 107 OK 15 97 - 15 - 8093/5.6=3, 8085/7893=1 HB3 LEU 59 - QE PHE 107 lone 7 87 - 8 - 3.2/4795=1 HG2 LYS 31 - QE PHE 107 lone 6 100 - 6 - Peak 4793 from aronoe.peaks (1.21, 6.99, 129.89 ppm; 3.85 A): 3 out of 7 assignments used, quality = 0.92: HB3 LEU 111 + QE PHE 107 OK 82 100 - 82 - 3.1/7890=18, 7888=16...(20) QG2 VAL 18 + QE PHE 107 OK 39 99 - 40 - 4806/2.2=7, 2.1/4794=6...(14) HB3 LEU 24 + QE PHE 107 OK 28 100 - 28 - 4806/2.2=3, 3.1/4797=3...(11) HB2 LEU 77 - QE PHE 107 OK 20 76 - 27 - ~8295=4, 7888=4...(8) HG LEU 77 - QE PHE 107 OK 18 83 - 21 - ~8295=3, 4806/2.2=3...(7) HG13 ILE 124 - QE PHE 107 OK 15 68 - 22 - 2.1/4795=5, 3.2/4794=3...(8) HG2 LYS 32 - QE PHE 107 OK 13 100 - 12 - 4806/2.2=2, 3.0/4789=2 Peak 4794 from aronoe.peaks (0.97, 6.99, 129.89 ppm; 3.20 A): 6 out of 8 assignments used, quality = 0.79: QD1 LEU 101 + QE PHE 107 OK 52 89 - 59 - 8152/2.2=14, 4672=11...(18) QG1 VAL 18 + QE PHE 107 OK 21 90 - 23 - 2.1/4793=4, 4807/2.2=3...(6) QG2 ILE 124 + QE PHE 107 OK 15 97 - 15 - 3.2/4795=2, 4807/2.2=2...(4) HG3 LYS 65 + QE PHE 107 OK 14 96 - 15 - 4807/2.2=3, ~4807=2...(6) HG2 LYS 65 + QE PHE 107 OK 14 96 - 15 - 4807/2.2=3, ~4807=2...(6) QD1 ILE 63 + QE PHE 107 OK 11 63 - 17 - 5668/7159=3, 3.2/4796=2...(6) QG2 THR 95 - QE PHE 107 lone 10 99 - 10 - 7626/4798=2, 7626/4798=2 QD2 LEU 58 - QE PHE 107 lone 7 71 - 10 - 4807/2.2=2 Peak 4795 from aronoe.peaks (0.88, 6.99, 129.89 ppm; 3.54 A): 5 out of 9 assignments used, quality = 0.91: QD2 LEU 41 + QE PHE 107 OK 82 98 - 83 - 6767=23, 6768/2.2=13...(25) QD1 ILE 124 + QE PHE 107 OK 19 99 - 20 - 3.2/4794=3, 2.1/4793=2...(6) HG13 ILE 80 + QE PHE 107 OK 19 97 - 20 - 2.1/7398=6, 3.2/7393=6...(4) QG1 VAL 49 + QE PHE 107 OK 13 100 - 13 - 6902/4.4=2, 7815/2.2=1 QD1 LEU 117 + QE PHE 107 OK 10 60 - 17 - 3.8/4771=3, 3.1/4789=3...(7) QD2 LEU 114 - QE PHE 107 poor 8 63 - 13 - 2.1/4796=2, 7874/4798=1...(4) QD2 LEU 59 - QE PHE 107 lone 7 100 - 7 - QD2 LEU 126 - QE PHE 107 lone 4 99 - 4 - QD1 LEU 126 - QE PHE 107 lone 2 63 - 3 - Peak 4796 from aronoe.peaks (0.74, 6.99, 129.89 ppm; 3.32 A): 3 out of 8 assignments used, quality = 0.96: HG LEU 111 + QE PHE 107 OK 76 99 - 77 - 2.1/7890=17, 2.1/7893=11...(24) QD2 LEU 111 + QE PHE 107 OK 73 97 - 76 - 2.1/7890=17, 7893=14...(22) QD1 LEU 84 + QE PHE 107 OK 37 100 - 37 - 2.1/4798=10, ~8518=6...(8) QG2 ILE 63 - QE PHE 107 OK 25 89 - 28 - 4.3/7159=9, 7125/2.2=4...(9) QD2 LEU 93 - QE PHE 107 OK 14 97 - 15 - 7893=2, 3.1/4792=2, 4779/2.2=1 QD1 LEU 114 - QE PHE 107 OK 11 83 - 14 - 7875/4798=2, 2.1/4795=2...(4) QD1 LEU 91 - QE PHE 107 lone 10 100 - 10 - QG2 VAL 66 - QE PHE 107 poor 9 60 - 15 - ~7204=3, 7199/2.2=3...(6) Peak 4797 from aronoe.peaks (0.64, 6.99, 129.89 ppm; 3.55 A): 6 out of 6 assignments used, quality = 0.88: QD1 LEU 45 + QE PHE 107 OK 54 100 - 54 - 6849=25, 4780/2.2=8...(15) QD1 LEU 51 + QE PHE 107 OK 34 87 - 39 - 4780/2.2=6, 4810/2.2=5...(13) QG2 VAL 26 + QE PHE 107 OK 29 92 - 32 - 4780/2.2=7, 4810/2.2=5...(9) QG1 VAL 26 + QE PHE 107 OK 19 63 - 31 - 4780/2.2=5, ~5497=4...(10) QD1 LEU 21 + QE PHE 107 OK 18 93 - 19 - 6398/2.2=4, 4810/2.2=3...(4) QD2 LEU 24 + QE PHE 107 OK 17 76 - 22 - 3.1/4793=3, 4810/2.2=3...(8) Peak 4798 from aronoe.peaks (0.12, 6.99, 129.89 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.84: QG1 VAL 110 + QE PHE 107 OK 76 96 - 80 - 2.1/4799=27, 7856=20...(17) QD2 LEU 84 + QE PHE 107 OK 35 96 - 36 - 8518/2.2=10, 4781/2.2=6...(9) Peak 4799 from aronoe.peaks (0.02, 6.99, 129.89 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.88: QG2 VAL 110 + QE PHE 107 OK 88 99 - 89 - 4812/2.2=36, 2.1/4798=28...(22) Peak 4800 from aronoe.peaks (2.24, 7.19, 131.77 ppm; 3.62 A): 6 out of 14 assignments used, quality = 0.93: HG3 GLU 38 + QD PHE 107 OK 63 100 - 63 - 6718/2.2=13, 6717=12...(15) HG2 GLU 38 + QD PHE 107 OK 63 100 - 63 - 6718/2.2=13, 6717=12...(15) HB3 LEU 117 + QD PHE 107 OK 22 97 - 23 - 3.0/4615=3, 4787/2.2=3...(8) HB2 PRO 70 + QD PHE 107 OK 18 100 - 18 - 2.3/4772=4, 4787/2.2=2...(5) HG3 GLU 64 + QD PHE 107 OK 12 99 - 12 - 4787/2.2=2, 1.8/4801=1...(6) HB2 PRO 68 + QD PHE 107 OK 10 98 - 11 - 3.0/7239=2, 3.0/7239=2 HB3 PRO 37 - QD PHE 107 lone 5 63 - 8 - ~4789=2, 7817/2.2=1 HG2 GLU 56 - QD PHE 107 lone 5 100 - 5 - HB2 CYS 87 - QD PHE 107 lone 5 68 - 7 - 7547/8518=1, 4787/2.2=1 HG2 GLU 94 - QD PHE 107 lone 4 100 - 4 - HG3 GLU 28 - QD PHE 107 lone 4 97 - 4 - HG3 GLU 15 - QD PHE 107 lone 4 99 - 4 - HG2 GLU 28 - QD PHE 107 lone 4 95 - 4 - HG3 GLU 94 - QD PHE 107 lone 3 68 - 4 - Peak 4801 from aronoe.peaks (2.08, 7.19, 131.77 ppm; 4.36 A): 4 out of 16 assignments used, quality = 0.94: HB3 GLU 38 + QD PHE 107 OK 70 92 - 76 - 3.0/6720=15, ~6721=14...(17) HB2 LEU 101 + QD PHE 107 OK 52 71 - 73 - 3.1/8152=22, 3.0/4772=15...(18) HB3 ARG 81 + QD PHE 107 OK 39 76 - 52 - 3.5/4813=8, 3.5/8564=8...(18) HB ILE 63 + QD PHE 107 OK 34 97 - 35 - 2.1/4809=7, 3.2/7130=4...(12) HB2 ARG 57 - QD PHE 107 OK 26 100 - 26 - 6726/2.2=4, 6727=3...(9) HG2 GLU 64 - QD PHE 107 OK 18 100 - 18 - 1.8/4800=2, ~4787=2...(8) HG LEU 21 - QD PHE 107 OK 17 99 - 18 - 2.1/4810=5, ~4797=3...(5) HB3 PRO 70 - QD PHE 107 OK 16 60 - 26 - 2.3/4772=5, 1.8/4800=4...(10) HB2 LEU 114 - QD PHE 107 OK 15 99 - 15 - 7869/4812=2, 7878/4811=2...(5) HG3 PRO 37 - QD PHE 107 poor 8 71 - 11 - ~4789=2, ~7817=1...(4) HB2 GLU 15 - QD PHE 107 lone 7 96 - 7 - HB2 GLN 16 - QD PHE 107 lone 6 100 - 6 - HB3 GLN 16 - QD PHE 107 lone 6 100 - 6 - HB2 GLN 105 - QD PHE 107 lone 4 100 - 4 - HG3 GLU 69 - QD PHE 107 lone 4 90 - 4 - HG3 PRO 60 - QD PHE 107 lone 3 60 - 5 - Peak 4802 from aronoe.peaks (1.93, 7.19, 131.77 ppm; 4.24 A): 5 out of 19 assignments used, quality = 0.93: HB2 GLU 38 + QD PHE 107 OK 71 97 - 73 - 3.0/6720=14, ~6721=13...(16) HB2 ARG 81 + QD PHE 107 OK 39 78 - 50 - 3.5/4813=8, 3.5/8564=7...(18) HB3 ARG 85 + QD PHE 107 OK 30 89 - 34 - 6724=5, 1.8/6724=5...(11) HB2 ARG 85 + QD PHE 107 OK 30 89 - 34 - 6724=5, 1.8/6724=5...(11) HB ILE 80 + QD PHE 107 OK 23 99 - 24 - ~7393=7, ~7398=5...(6) HB2 LEU 84 - QD PHE 107 OK 22 65 - 34 - 3.1/8518=14, ~4798=6...(7) HB3 PRO 30 - QD PHE 107 OK 21 89 - 24 - 2.3/4772=3, 2.3/6586=3...(7) HB2 LYS 109 - QD PHE 107 OK 21 99 - 21 - 8450/4812=11, 4.6/7850=5 HB3 GLU 64 - QD PHE 107 OK 18 100 - 19 - 4.0/1471=3, 3.0/4800=2...(9) HB2 GLU 64 - QD PHE 107 OK 18 99 - 18 - 4.0/1471=3, 3.0/4800=2...(9) HB2 LEU 21 - QD PHE 107 OK 15 100 - 15 - 3.1/4810=4, ~4797=2...(4) HG LEU 58 - QD PHE 107 OK 13 100 - 13 - 2.1/4807=3, 2.1/4807=2...(4) HB3 GLU 73 - QD PHE 107 lone 8 85 - 9 - ~6080=1, ~6082=1, ~4782=1 HB ILE 22 - QD PHE 107 lone 7 81 - 9 - 3.2/4809=2, 2153/7889=1 HB3 LYS 119 - QD PHE 107 lone 6 95 - 6 - HB3 GLU 94 - QD PHE 107 lone 4 76 - 5 - HB2 GLU 28 - QD PHE 107 lone 3 68 - 5 - HB3 GLU 69 - QD PHE 107 lone 3 95 - 3 - HB3 MET 11 - QD PHE 107 lone 2 93 - 2 - Peak 4803 from aronoe.peaks (1.76, 7.19, 131.77 ppm; 4.06 A): 4 out of 15 assignments used, quality = 0.93: HG2 GLN 42 + QD PHE 107 OK 74 100 - 75 - 1.8/6780=13, 6777/2.2=13...(18) HB2 LEU 45 + QD PHE 107 OK 39 100 - 39 - ~6849=12, 3.1/4810=8...(9) HB VAL 66 + QD PHE 107 OK 39 99 - 39 - 2.1/4809=11, 2.1/7204=8...(10) HB2 ARG 53 + QD PHE 107 OK 27 93 - 29 - 5615/4.5=6, 4.4/4765=5...(10) HB2 GLU 75 - QD PHE 107 OK 26 83 - 32 - 3.0/8329=6, 1.8/8332=6...(11) HB2 LEU 117 - QD PHE 107 OK 25 87 - 28 - 1.8/4800=4, 3.0/4615=4...(12) HG3 PRO 30 - QD PHE 107 OK 24 99 - 25 - 1.8/6586=3, ~7826=3...(7) HG LEU 117 - QD PHE 107 OK 24 99 - 24 - 3.0/4800=3, 3.6/4615=3...(9) HG3 ARG 71 - QD PHE 107 OK 20 100 - 20 - 3.0/4813=3, 4.0/4772=3...(5) HG2 ARG 71 - QD PHE 107 OK 18 96 - 19 - 3.0/4813=3, 4.0/4772=3...(5) HB3 LYS 46 - QD PHE 107 OK 17 100 - 17 - 6777/2.2=2, 6778=2...(4) HB3 ARG 71 - QD PHE 107 poor 9 65 - 14 - 3.0/4772=4, 3.6/4813=3 HB2 LEU 91 - QD PHE 107 poor 8 81 - 10 - 3.0/4772=1, 7705/8152=1 HD2 LYS 109 - QD PHE 107 lone 6 99 - 6 - 3.9/4802=1 HD3 LYS 109 - QD PHE 107 lone 6 97 - 6 - 3.9/4802=1 Peak 4804 from aronoe.peaks (1.66, 7.19, 131.77 ppm; 3.95 A): 3 out of 8 assignments used, quality = 0.95: HB3 LEU 41 + QD PHE 107 OK 76 100 - 76 - 6762/2.2=15, 1.8/8294=14...(17) HB3 GLN 42 + QD PHE 107 OK 62 81 - 77 - ~6771=11, 1.8/6774=10...(19) HG3 GLN 42 + QD PHE 107 OK 44 63 - 70 - 6779/2.2=9, ~6777=9...(18) HG LEU 27 - QD PHE 107 OK 37 100 - 37 - 4790/2.2=5, 2283/3.8=5...(10) HG3 ARG 85 - QD PHE 107 OK 28 96 - 29 - 7500/2.2=6, ~7503=5...(9) HG LEU 51 - QD PHE 107 OK 26 76 - 34 - 2.1/4810=6, 2.1/6939=6...(9) HB ILE 34 - QD PHE 107 OK 13 97 - 13 - 2.1/6623=4, 3.2/6630=4 HB3 LYS 32 - QD PHE 107 lone 8 87 - 9 - 3.0/4806=2, ~4789=1...(4) Peak 4805 from aronoe.peaks (1.40, 7.19, 131.77 ppm; 3.66 A): 2 out of 10 assignments used, quality = 0.94: HB VAL 110 + QD PHE 107 OK 83 99 - 84 - 2.1/4812=34, 2.1/4811=22...(15) HB2 LEU 111 + QD PHE 107 OK 66 96 - 69 - 3.1/4809=14, 1.8/4806=13...(17) HB2 LEU 27 - QD PHE 107 OK 32 100 - 32 - 2269/3.8=4, 1.8/4807=4...(13) HB2 LEU 51 - QD PHE 107 OK 23 87 - 26 - 3.1/4810=4, 3.1/6939=4...(10) QB ALA 98 - QD PHE 107 OK 14 81 - 17 - ~1723=2, ~4620=2...(9) HB3 LEU 93 - QD PHE 107 OK 10 85 - 12 - 6194/3.7=1, 5020/7889=1 QG2 THR 121 - QD PHE 107 poor 8 71 - 11 - 8093/3.7=3 HG LEU 59 - QD PHE 107 lone 6 100 - 6 - HB3 LEU 91 - QD PHE 107 lone 4 65 - 6 - 3.0/4772=1 QB ALA 122 - QD PHE 107 lone 2 97 - 2 - Peak 4806 from aronoe.peaks (1.21, 7.19, 131.77 ppm; 3.90 A): 6 out of 7 assignments used, quality = 0.92: HB3 LEU 111 + QD PHE 107 OK 75 100 - 75 - 3.1/7889=15, 7888/2.2=15...(17) QG2 VAL 18 + QD PHE 107 OK 39 99 - 39 - 4793/2.2=6, 6350=6...(12) HB3 LEU 24 + QD PHE 107 OK 18 100 - 18 - 4793/2.2=5, 3.1/4810=3...(6) HB2 LEU 77 + QD PHE 107 OK 18 76 - 23 - 1.8/8295=6, 7888/2.2=3...(8) HG LEU 77 + QD PHE 107 OK 16 83 - 19 - 3.0/8295=5, 4793/2.2=3...(7) HG13 ILE 124 + QD PHE 107 OK 11 68 - 16 - ~4795=3, 4793/2.2=2...(7) HG2 LYS 32 - QD PHE 107 lone 9 100 - 9 - 4793/2.2=2 Peak 4807 from aronoe.peaks (0.98, 7.19, 131.77 ppm; 3.37 A): 6 out of 9 assignments used, quality = 0.86: QD1 LEU 101 + QD PHE 107 OK 67 99 - 67 - 8152=24, 4794/2.2=12...(19) QG1 VAL 18 + QD PHE 107 OK 20 99 - 20 - 2.1/4806=6, 4794/2.2=5, ~4793=3 HB3 LEU 27 + QD PHE 107 OK 17 63 - 27 - 1.8/4805=4, 7820/2.2=3...(10) HG3 LYS 65 + QD PHE 107 OK 16 100 - 16 - 4794/2.2=3, ~4794=2...(5) HG2 LYS 65 + QD PHE 107 OK 16 100 - 16 - 4794/2.2=3, ~4794=2...(5) QD2 LEU 58 + QD PHE 107 OK 10 92 - 11 - 4794/2.2=2, 7872/4812=1 QG2 ILE 124 - QD PHE 107 poor 10 81 - 12 - 4794/2.2=3, ~4795=1, 3.2/4806=1 QG2 THR 95 - QD PHE 107 lone 10 100 - 10 - 7626/8518=2, 4794/2.2=2...(4) QD1 LEU 58 - QD PHE 107 poor 8 76 - 10 - 7820/2.2=1, 7872/4812=1 Peak 4808 from aronoe.peaks (0.91, 7.19, 131.77 ppm; 3.84 A): 3 out of 15 assignments used, quality = 0.96: HB2 GLN 42 + QD PHE 107 OK 77 99 - 77 - 6773/2.2=13, 6774=10...(20) QD1 LEU 41 + QD PHE 107 OK 58 81 - 72 - ~6767=14, 8413/2.2=12...(16) QD2 LEU 41 + QD PHE 107 OK 56 78 - 72 - 6767/2.2=17, 3.1/8294=10...(17) QD2 LEU 27 - QD PHE 107 OK 36 96 - 38 - 2297/3.8=4, 2.1/4804=4...(11) QD1 LEU 27 - QD PHE 107 OK 31 92 - 34 - 8413/2.2=5, 2.1/4804=4...(10) QD1 LEU 117 - QD PHE 107 OK 22 100 - 22 - 3.1/4800=3, 3.8/4615=3...(9) QG2 VAL 49 - QD PHE 107 OK 18 98 - 19 - 4.3/4764=3, ~6902=2...(6) QD1 ILE 63 - QD PHE 107 OK 15 57 - 25 - 3.2/4809=5, 7130=3...(10) QD1 ILE 124 - QD PHE 107 OK 12 73 - 16 - 2.1/4806=2, 3.2/7827=2...(6) QG2 ILE 22 - QD PHE 107 OK 11 95 - 12 - 3.0/4809=2, 2160/7889=1 QG2 VAL 115 - QD PHE 107 OK 11 95 - 11 - 7978/4806=1 QG1 VAL 49 - QD PHE 107 OK 10 60 - 17 - 4.3/4764=3, 6902/2.4=2...(6) QD1 LEU 55 - QD PHE 107 poor 8 73 - 12 - 3.1/8295=3, 3.1/8294=3 QD1 LEU 126 - QD PHE 107 lone 4 100 - 4 - QD2 LEU 59 - QD PHE 107 lone 3 60 - 5 - Peak 4809 from aronoe.peaks (0.78, 7.19, 131.77 ppm; 3.58 A): 3 out of 5 assignments used, quality = 0.84: QD1 LEU 111 + QD PHE 107 OK 69 90 - 76 - 7890/2.2=18, 7889=18...(20) QG2 VAL 66 + QD PHE 107 OK 36 99 - 36 - 7189/2.4=6, 2.1/7204=6...(11) QG2 ILE 63 + QD PHE 107 OK 21 83 - 26 - 7125=4, 3.2/7130=3...(10) QD1 ILE 22 - QD PHE 107 lone 7 83 - 8 - QD2 LEU 93 - QD PHE 107 lone 5 68 - 8 - ~4792=1, 3.1/4805=1 Peak 4810 from aronoe.peaks (0.65, 7.19, 131.77 ppm; 4.48 A): 5 out of 5 assignments used, quality = 0.87: QD1 LEU 45 + QD PHE 107 OK 52 100 - 52 - 6849/2.2=30, 4780/3.8=8...(12) QD1 LEU 51 + QD PHE 107 OK 34 76 - 45 - 4797/2.2=9, 2.1/6939=8...(12) QG2 VAL 26 + QD PHE 107 OK 33 83 - 39 - 4797/2.2=8, 4780/3.8=7...(11) QD1 LEU 21 + QD PHE 107 OK 21 98 - 22 - 4797/2.2=5, 6398/3.8=4...(5) QD2 LEU 24 + QD PHE 107 OK 21 87 - 24 - 4797/2.2=4, 6477/3.8=4...(6) Peak 4811 from aronoe.peaks (0.12, 7.19, 131.77 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.90: QG1 VAL 110 + QD PHE 107 OK 82 96 - 86 - 2.1/4812=35, 4798/2.2=25...(16) QD2 LEU 84 + QD PHE 107 OK 44 96 - 46 - 8518=15, 4798/2.2=12...(11) Peak 4812 from aronoe.peaks (0.01, 7.19, 131.77 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 110 + QD PHE 107 OK 85 100 - 85 - 4799/2.2=28, 7811/3.7=23...(16) Peak 4813 from aronoe.peaks (3.20, 7.19, 131.77 ppm; 4.22 A): 6 out of 7 assignments used, quality = 0.95: HA GLN 42 + QD PHE 107 OK 72 89 - 81 - 6771/2.2=22, 3.0/4766=14...(19) HD2 ARG 81 + QD PHE 107 OK 58 100 - 58 - 1.8/8564=9, 4784/2.2=8...(20) HD3 ARG 71 + QD PHE 107 OK 25 97 - 25 - ~4784=3, 4.7/4772=3...(10) HD2 ARG 53 + QD PHE 107 OK 19 83 - 22 - 1.8/4616=3, ~4785=2...(11) HD2 ARG 71 + QD PHE 107 OK 18 71 - 25 - 4784/2.2=3, 4.7/4772=3...(10) HB3 PHE 83 + QD PHE 107 OK 16 95 - 17 - 7471/2.4=5, 7825/2.2=3...(4) HB3 TRP 20 - QD PHE 107 lone 3 63 - 5 - Peak 4814 from aronoe.peaks (1.19, 7.29, 129.72 ppm; 5.11 A): 4 out of 4 assignments used, quality = 0.81: QG2 VAL 18 + HZ PHE 40 OK 66 87 - 77 - 6352=28, 6351/3.8=25...(13) HB2 LEU 77 + HZ PHE 40 OK 25 100 - 25 - 4668/3.8=6, ~4831=5...(6) HG2 LYS 32 + HZ PHE 40 OK 12 63 - 20 - 4668/3.8=5, ~4831=4...(8) HB3 LEU 111 + HZ PHE 40 OK 12 68 - 18 - ~4830=5, 4668/3.8=3...(6) Peak 4815 from aronoe.peaks (2.15, 7.29, 129.72 ppm; 4.89 A): 3 out of 5 assignments used, quality = 0.79: HB2 PRO 30 + HZ PHE 40 OK 72 87 - 83 - 6583=28, 3.0/4676=24...(13) HG12 ILE 80 + HZ PHE 40 OK 14 98 - 14 - ~7397=4, ~4831=3...(5) HB VAL 115 + HZ PHE 40 OK 11 89 - 12 - 2.1/4678=3, 2354/6589=2...(6) HG2 GLU 69 - HZ PHE 40 lone 6 100 - 6 - HB3 GLU 15 - HZ PHE 40 lone 4 89 - 4 - Peak 4816 from aronoe.peaks (8.10, 7.20, 133.94 ppm; 4.18 A): 4 out of 7 assignments used, quality = 0.84: HD22 ASN 79 + QD TYR 67 OK 56 98 - 57 - 8142/4.5=16, 8146=8...(17) H SER 78 + QD TYR 67 OK 39 71 - 55 - 3.9/7363=13, 7360/2.2=12...(10) H GLY 39 + QD TYR 67 OK 31 100 - 31 - 3.6/6720=4, 8313/2.2=3...(11) H LEU 55 + QD TYR 67 OK 14 76 - 18 - 7207/4.5=4, 4.0/8295=3...(4) H GLN 105 - QD TYR 67 lone 9 97 - 10 - 4.7/7777=2, 8313/2.2=1 H THR 33 - QD TYR 67 lone 9 100 - 9 - 7207/4.5=1 H LEU 24 - QD TYR 67 lone 8 97 - 9 - 8313/2.2=2 Peak 4817 from aronoe.peaks (8.08, 6.79, 117.59 ppm; 4.56 A): 4 out of 7 assignments used, quality = 0.87: H SER 78 + QE TYR 67 OK 70 98 - 71 - 7360=24, 3.9/7362=17...(10) HD22 ASN 79 + QE TYR 67 OK 33 71 - 47 - 4816/2.2=11, 8142/6.4=9...(14) H GLY 39 + QE TYR 67 OK 21 93 - 23 - 4816/2.2=6, ~4686=2...(9) H GLN 42 + QE TYR 67 OK 16 63 - 26 - 8588/2.2=4, ~6772=4...(12) H LEU 24 - QE TYR 67 lone 10 99 - 10 - 4816/2.2=2 H GLN 105 - QE TYR 67 lone 9 99 - 9 - 4816/2.2=2, 4.7/7778=1 H THR 33 - QE TYR 67 lone 6 85 - 7 - 4816/2.2=2 Peak 4818 from aronoe.peaks (3.01, 7.28, 133.89 ppm; 3.54 A): 4 out of 6 assignments used, quality = 0.78: HA VAL 110 + QD PHE 96 OK 56 73 - 76 - 3.2/4715=23, 7852=16...(18) HE2 LYS 109 + QD PHE 96 OK 24 85 - 28 - 8384/4.4=5, 8589/3.7=5...(9) HE3 LYS 109 + QD PHE 96 OK 24 85 - 28 - 8384/4.4=5, 8589/3.7=5...(9) HB3 TYR 102 + QD PHE 96 OK 13 98 - 14 - 4703/2.2=2, ~4697=2...(4) HB2 ASN 12 - QD PHE 96 lone 5 76 - 7 - 3.5/4703=2, 4986/4715=1 HD2 ARG 85 - QD PHE 96 lone 1 60 - 1 - Peak 4819 from aronoe.peaks (3.11, 7.28, 133.89 ppm; 4.41 A): 4 out of 8 assignments used, quality = 0.87: HB3 ASP 100 + QD PHE 96 OK 69 100 - 69 - 7687=18, 8416/2.4=18...(13) HD3 ARG 57 + QD PHE 96 OK 44 96 - 46 - 7047/2.2=6, 7047=6...(17) HB2 PHE 107 + QD PHE 96 OK 16 100 - 16 - 4.4/4703=8, 7871/4715=5 HB3 CYS 76 + QD PHE 96 OK 10 100 - 10 - 7333/2.2=2, 4.0/7926=2 HD3 ARG 81 - QD PHE 96 lone 7 88 - 8 - 7871/4715=1 HD3 ARG 53 - QD PHE 96 lone 5 87 - 6 - HB3 CYS 52 - QD PHE 96 lone 4 100 - 4 - HB3 HIS 10 - QD PHE 96 lone 2 63 - 3 - 4.4/7685=2 Peak 4820 from aronoe.peaks (1.34, 7.22, 133.31 ppm; 3.49 A): 3 out of 9 assignments used, quality = 0.91: HG2 LYS 46 + QD TYR 102 OK 68 97 - 70 - 4759/2.2=11, 3.9/4740=9...(24) HG3 LYS 46 + QD TYR 102 OK 68 97 - 70 - 4759/2.2=11, 3.9/4740=9...(24) QB ALA 43 + QD TYR 102 OK 12 100 - 13 - 6814/2.2=2, ~6812=2...(4) HG3 LYS 119 - QD TYR 102 poor 9 85 - 10 - 7737/3.7=2, 4759/2.2=2, 6857=1 QG2 THR 17 - QD TYR 102 lone 8 97 - 8 - 7737/3.7=2, 6345/2.2=1 HB3 LEU 84 - QD TYR 102 lone 4 60 - 6 - 4.0/4737=1, 7737/3.7=1 HB3 LEU 59 - QD TYR 102 lone 3 99 - 3 - QG2 THR 23 - QD TYR 102 lone 2 78 - 3 - HG CYS 87 - QD TYR 102 lone 1 68 - 1 - Peak 4821 from aronoe.peaks (1.49, 6.89, 120.48 ppm; 4.85 A): 4 out of 12 assignments used, quality = 0.87: HB3 LEU 114 + HZ3 TRP 20 OK 72 98 - 74 - 3.1/4645=20, 7951=18...(13) HB3 LEU 58 + HZ3 TRP 20 OK 32 98 - 32 - ~7050=13, ~4662=8...(5) HB2 LEU 24 + HZ3 TRP 20 OK 18 93 - 19 - ~6477=6, ~4641=5...(5) HG2 LYS 109 + HZ3 TRP 20 OK 15 93 - 16 - ~5871=4, ~5869=3...(5) HG LEU 93 - HZ3 TRP 20 lone 10 99 - 10 - ~4663=3, 2.1/4645=3 HG LEU 91 - HZ3 TRP 20 lone 7 99 - 7 - ~4663=1, 8366/7999=1 HB2 LEU 93 - HZ3 TRP 20 lone 4 61 - 6 - 3.1/4645=2, ~4663=2 QB ALA 14 - HZ3 TRP 20 lone 3 61 - 5 - 6306/6345=2 HG3 ARG 92 - HZ3 TRP 20 lone 3 90 - 3 - HG2 ARG 92 - HZ3 TRP 20 lone 2 87 - 3 - HG2 ARG 85 - HZ3 TRP 20 lone 2 99 - 2 - HG3 ARG 57 - HZ3 TRP 20 lone 2 66 - 3 - Peak 4822 from aronoe.peaks (1.78, 6.87, 117.78 ppm; 4.09 A): 7 out of 15 assignments used, quality = 0.94: HB3 LYS 46 + QE TYR 102 OK 55 73 - 75 - 1.8/8577=14, 2.9/4759=13...(20) HD3 LYS 109 + QE TYR 102 OK 44 97 - 45 - 3.0/4823=6, 4743/2.2=6...(14) HD2 LYS 109 + QE TYR 102 OK 43 95 - 45 - 3.0/4823=6, 3.0/4706=5...(14) HB2 GLU 75 + QE TYR 102 OK 27 100 - 27 - 3.0/4758=6, 8333/2.2=4...(7) HB2 LEU 45 + QE TYR 102 OK 23 78 - 30 - 3.1/4762=7, 3.0/7760=6...(8) HG3 PRO 30 + QE TYR 102 OK 21 96 - 22 - 2.3/4749=4, ~6584=4...(7) HB2 PRO 37 + QE TYR 102 OK 12 97 - 13 - 2.3/4756=2, ~4608=2...(5) HB2 LYS 32 - QE TYR 102 lone 8 97 - 8 - 3.0/4760=1, ~7757=1 HG2 GLN 42 - QE TYR 102 lone 7 90 - 8 - 4743/2.2=1 HB VAL 66 - QE TYR 102 poor 7 63 - 11 - 2.1/4761=3, ~4747=2...(5) HG3 ARG 71 - QE TYR 102 lone 5 85 - 6 - HB2 LEU 117 - QE TYR 102 lone 5 100 - 5 - HG LEU 117 - QE TYR 102 lone 5 95 - 5 - HB3 GLU 56 - QE TYR 102 lone 1 89 - 2 - HB2 PRO 60 - QE TYR 102 lone 1 63 - 2 - Peak 4823 from aronoe.peaks (1.56, 6.87, 117.78 ppm; 4.38 A): 6 out of 8 assignments used, quality = 0.91: HD3 LYS 46 + QE TYR 102 OK 53 63 - 84 - 3.0/4753=18, 3.0/4754=17...(22) HG3 LYS 109 + QE TYR 102 OK 46 99 - 46 - 4825/2.2=9, 2.9/4757=6...(11) HB3 LYS 65 + QE TYR 102 OK 33 96 - 35 - 4825/2.2=5, 4.0/4709=4...(13) HB2 LYS 65 + QE TYR 102 OK 33 96 - 35 - 4825/2.2=5, 4.0/4709=4...(13) HG12 ILE 124 + QE TYR 102 OK 10 100 - 10 - 1.8/4760=2, 4825/2.2=2 HG2 ARG 57 + QE TYR 102 OK 10 73 - 14 - 2.9/4750=4, 3.0/4758=3...(5) HG2 ARG 81 - QE TYR 102 lone 6 73 - 8 - 3.0/4750=3 HG3 ARG 81 - QE TYR 102 lone 6 73 - 8 - 3.0/4750=3 Peak 4824 from aronoe.peaks (1.46, 6.87, 117.78 ppm; 4.54 A): 3 out of 17 assignments used, quality = 0.96: HD2 LYS 46 + QE TYR 102 OK 89 100 - 89 - 3.0/4753=19, 3.0/4754=17...(25) HG2 LYS 109 + QE TYR 102 OK 42 89 - 48 - 1.8/4823=9, ~4825=7...(11) HB3 LEU 45 + QE TYR 102 OK 35 95 - 37 - 3.1/4762=8, 3.0/7760=7...(9) HB3 GLU 75 - QE TYR 102 OK 32 95 - 34 - 3.0/4758=7, 3.0/4761=5...(8) HD2 LYS 65 - QE TYR 102 OK 27 83 - 33 - 3.8/4823=5, 3.8/4823=5...(14) HD3 LYS 65 - QE TYR 102 OK 27 83 - 33 - 3.8/4823=5, 3.8/4823=5...(14) HB3 LEU 101 - QE TYR 102 OK 23 73 - 32 - 3.1/7721=7, ~7719=5...(7) HG2 LYS 119 - QE TYR 102 OK 17 100 - 17 - 1.8/4759=3, 2.9/4757=2...(7) HG3 ARG 57 - QE TYR 102 OK 15 100 - 15 - 2.9/4750=4, 3.0/4758=3...(4) HG LEU 24 - QE TYR 102 OK 14 95 - 15 - 2.1/4761=4, ~4747=2, 3.0/4760=2 HB3 LEU 58 - QE TYR 102 OK 11 73 - 14 - 3.9/4828=3, ~4746=2...(5) QB ALA 14 - QE TYR 102 lone 10 100 - 10 - HG3 LYS 31 - QE TYR 102 lone 7 100 - 7 - HB2 LEU 93 - QE TYR 102 lone 5 100 - 5 - QB ALA 89 - QE TYR 102 lone 3 76 - 4 - HG LEU 91 - QE TYR 102 lone 2 68 - 3 - HG LEU 93 - QE TYR 102 lone 1 60 - 2 - Peak 4825 from aronoe.peaks (1.55, 7.22, 133.31 ppm; 4.70 A): 4 out of 8 assignments used, quality = 0.96: HG3 LYS 109 + QD TYR 102 OK 69 100 - 69 - 4823/2.2=9, 4921/3.7=8...(26) HD3 LYS 46 + QD TYR 102 OK 68 73 - 93 - 3.0/4740=18, 3.0/4741=17...(29) HB3 LYS 65 + QD TYR 102 OK 40 99 - 41 - 4823/2.2=7, 3.0/4827=7...(12) HB2 LYS 65 + QD TYR 102 OK 40 99 - 41 - 4823/2.2=7, 3.0/4827=7...(12) HG12 ILE 124 - QD TYR 102 OK 14 100 - 14 - 4823/2.2=2, ~4760=2...(5) HG2 ARG 57 - QD TYR 102 OK 10 63 - 16 - ~4750=2, ~4758=2...(7) HG2 ARG 81 - QD TYR 102 lone 6 63 - 9 - ~4750=2, ~7759=2...(4) HG3 ARG 81 - QD TYR 102 lone 6 63 - 9 - ~4750=2, ~7759=2...(4) Peak 4826 from aronoe.peaks (0.16, 7.22, 131.06 ppm; 3.63 A): 7 out of 8 assignments used, quality = 0.91: QD1 ILE 34 + QE PHE 40 OK 66 89 - 75 - 6629/2.2=16, 6631/2.2=15...(18) QD2 LEU 51 + QE PHE 40 OK 33 100 - 33 - 6939=8, 2.1/6941=7...(8) QD2 LEU 51 + QE PHE 96 OK 22 48 - 47 - 6940/2.2=17, ~6942=10...(8) QG1 VAL 110 + QE PHE 96 OK 20 28 - 71 - ~4715=18, ~4734=15...(18) QG1 VAL 110 + QE PHE 40 OK 15 71 - 22 - 4672/2.2=4, 7858=3...(8) QD2 LEU 84 + QE PHE 96 OK 14 28 - 49 - 7478/2.2=10, ~4713=6...(12) QD2 LEU 84 + QE PHE 40 OK 11 71 - 16 - 7479/2.2=6, ~7476=3, 8518=2 QD1 ILE 34 - QE PHE 96 lone 3 38 - 8 - 6629/2.2=2 Peak 4827 from aronoe.peaks (4.29, 7.22, 133.31 ppm; 5.29 A): 2 out of 8 assignments used, quality = 0.93: HA GLN 103 + QD TYR 102 OK 84 96 - 88 - 2.9/4736=32, 4.0/4740=22...(13) HA LYS 65 + QD TYR 102 OK 56 100 - 56 - 3570=8, 3.0/4825=6...(20) HA LEU 114 - QD TYR 102 OK 24 99 - 25 - 4.0/7956=4, 7953/2.2=3...(7) HB2 SER 78 - QD TYR 102 OK 22 94 - 23 - 4.5/7378=6, 3.9/7359=6...(5) HB3 SER 113 - QD TYR 102 OK 18 96 - 18 - 6216/2.5=5, ~6214=4, 6216/4610=1 HA GLU 64 - QD TYR 102 OK 16 63 - 25 - 2.9/1471=5, ~7156=3...(9) HA GLU 94 - QD TYR 102 poor 10 90 - 11 - 1285/4.7=3 HA ALA 122 - QD TYR 102 lone 5 90 - 5 - 2.1/4744=1 Peak 4828 from aronoe.peaks (7.70, 6.87, 117.78 ppm; 4.78 A): 3 out of 6 assignments used, quality = 0.79: HE21 GLN 103 + QE TYR 102 OK 67 99 - 68 - 7763/2.2=25, 3.5/4753=18...(11) H LEU 111 + QE TYR 102 OK 26 100 - 26 - 4735/2.2=12, 561/4.4=5...(5) H LEU 58 + QE TYR 102 OK 14 83 - 17 - 4735/2.2=3, 4.2/4758=3...(6) H THR 121 - QE TYR 102 lone 7 95 - 7 - 4735/2.2=3, 4.0/4738=2 H SER 90 - QE TYR 102 lone 4 83 - 5 - H LEU 126 - QE TYR 102 lone 2 78 - 2 - Peak 4829 from aronoe.peaks (9.60, 7.20, 133.94 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.77: H TYR 67 + QD TYR 67 OK 77 100 - 77 - 4.5=46, 3.0/4577=24...(12) Peak 4830 from aronoe.peaks (0.80, 7.22, 131.06 ppm; 4.51 A): 3 out of 10 assignments used, quality = 0.52: QD1 ILE 22 + QE PHE 40 OK 32 100 - 32 - 6425=15, 6652/6630=3...(9) QD1 LEU 111 + QE PHE 40 OK 20 100 - 20 - 7889=2, ~4668=2, ~6744=2...(8) QD2 LEU 91 + QE PHE 96 OK 11 37 - 30 - 7589/2.2=6, ~7582=5...(9) QD1 ILE 22 - QE PHE 96 poor 8 48 - 16 - 6425=8, 4.2/6422=3, ~4730=2 QD2 LEU 91 - QE PHE 40 lone 7 87 - 8 - 7589/2.2=1 QD1 LEU 111 - QE PHE 96 poor 7 49 - 14 - ~4731=2, ~4713=2...(4) QG2 VAL 66 - QE PHE 40 lone 5 71 - 7 - 4.0/305=1, 7199=1 HB2 ASN 118 - QE PHE 40 lone 1 73 - 2 - QG2 VAL 66 - QE PHE 96 lone 1 28 - 4 - 7198/6.5=2 HB2 ASN 118 - QE PHE 96 lone 0 29 - 1 - Peak 4831 from aronoe.peaks (1.25, 7.22, 131.06 ppm; 3.66 A): 6 out of 18 assignments used, quality = 0.61: HG LEU 77 + QE PHE 40 OK 20 97 - 21 - 2.1/7337=6, 2.1/7339=3...(6) QG2 ILE 80 + QE PHE 96 OK 16 31 - 51 - 7391/2.2=11, 3.2/7397=9...(13) QD1 ILE 80 + QE PHE 96 OK 14 29 - 49 - 7397=12, 4728/2.2=7...(12) HG3 LYS 32 + QE PHE 40 OK 13 90 - 15 - ~4668=3, ~6744=3...(5) QD1 ILE 80 + QE PHE 40 OK 11 73 - 15 - 7397=4, ~4815=2, ~7392=2 QG2 ILE 80 + QE PHE 40 OK 11 76 - 14 - 7392/2.2=3, 3.2/7397=3, ~4815=1 HG2 LYS 32 - QE PHE 40 lone 5 60 - 8 - ~4666=1, 6744/2.2=1, ~4667=1 HB3 LEU 24 - QE PHE 96 poor 4 27 - 17 - ~6474=2, ~6476=2...(10) HG13 ILE 124 - QE PHE 40 lone 4 100 - 4 - HB3 LEU 24 - QE PHE 40 lone 4 68 - 6 - ~6476=1 HG3 LYS 32 - QE PHE 96 lone 3 39 - 7 - 2534/4.4=1, 4711/2.2=1 QG2 THR 19 - QE PHE 40 lone 3 95 - 3 - HG LEU 77 - QE PHE 96 lone 2 44 - 5 - 2.1/7337=2 HG2 LYS 32 - QE PHE 96 lone 2 23 - 7 - ~4711=2, ~4728=1 QG2 THR 116 - QE PHE 40 lone 2 71 - 2 - HG13 ILE 124 - QE PHE 96 lone 2 48 - 3 - QG2 THR 116 - QE PHE 96 lone 1 28 - 5 - 4728/2.2=2 QG2 THR 19 - QE PHE 96 lone 1 42 - 3 - Peak 4832 from aronoe.peaks (1.96, 7.22, 131.06 ppm; 4.68 A): 6 out of 40 assignments used, quality = 0.93: HB3 PRO 30 + QE PHE 40 OK 77 93 - 83 - 1.8/6584=21, ~6583=17...(16) HB2 LEU 41 + QE PHE 40 OK 41 81 - 51 - ~6769=10, ~8258=8...(15) HG LEU 114 + QE PHE 96 OK 21 37 - 56 - 2.1/7956=16, ~7948=16...(11) HB3 GLN 103 + QE PHE 40 OK 16 81 - 20 - 4.0/511=4, 3.0/7761=3...(6) HG LEU 58 + QE PHE 40 OK 14 60 - 24 - 2.1/6348=5, ~6349=5...(6) HG LEU 45 + QE PHE 40 OK 10 97 - 11 - 6841/6939=2 HB2 GLU 64 - QE PHE 40 poor 9 73 - 12 - 4.0/1471=3, 3.0/5669=2...(6) HB2 LYS 109 - QE PHE 96 poor 9 29 - 29 - 7846/4.4=11, 8453/5.6=10...(4) HB2 ARG 71 - QE PHE 40 lone 8 96 - 9 - 3.6/8559=1, 3.6/8558=1 HB3 GLU 64 - QE PHE 40 poor 8 68 - 12 - 4.0/1471=3, 3.0/5669=2...(6) HB2 GLU 38 - QE PHE 40 lone 8 83 - 9 - ~4676=2, 6738/6.5=2 HG LEU 114 - QE PHE 40 lone 7 87 - 8 - 2.1/7956=3 HB ILE 124 - QE PHE 40 lone 7 81 - 9 - 3.0/4831=1 HB3 ARG 85 - QE PHE 40 lone 7 93 - 7 - ~4667=2, 4297/4.4=1, 6738/6.5=1 HB2 ARG 85 - QE PHE 40 lone 7 93 - 7 - ~4667=2, 4297/4.4=1, 6738/6.5=1 HB2 LYS 109 - QE PHE 40 lone 6 73 - 9 - 4.6/7850=2, 7839/4.4=1 HB3 LYS 119 - QE PHE 40 lone 6 87 - 7 - HB3 PRO 30 - QE PHE 96 poor 5 41 - 13 - 1.8/6584=2, ~6587=2...(4) HB3 GLU 69 - QE PHE 40 lone 5 87 - 6 - 3775/6584=1, ~4815=1 HG2 PRO 68 - QE PHE 96 poor 4 37 - 11 - 8315/5.6=6, ~4706=2 HG2 PRO 68 - QE PHE 40 lone 4 87 - 4 - HB3 GLN 103 - QE PHE 96 poor 4 33 - 11 - 4.0/511=2, 4.6/7763=2...(5) HG LEU 58 - QE PHE 96 poor 4 23 - 16 - ~4729=4, 2.1/6348=4...(4) HG LEU 45 - QE PHE 96 lone 3 45 - 8 - HB3 PRO 68 - QE PHE 40 lone 3 81 - 4 - HB3 GLU 94 - QE PHE 40 lone 3 99 - 3 - HB2 MET 11 - QE PHE 40 lone 3 73 - 4 - HB2 ARG 71 - QE PHE 96 lone 2 43 - 5 - 3.6/8558=1, 3.6/8559=1 HB ILE 124 - QE PHE 96 lone 2 33 - 6 - HB3 PRO 68 - QE PHE 96 lone 2 33 - 5 - ~4706=2 HB2 LEU 41 - QE PHE 96 lone 2 33 - 5 - HB3 LYS 119 - QE PHE 96 lone 2 37 - 4 - HB3 GLU 94 - QE PHE 96 lone 1 46 - 2 - HB3 GLU 69 - QE PHE 96 lone 1 37 - 2 - HB2 ARG 85 - QE PHE 96 lone 1 41 - 2 - HB3 ARG 85 - QE PHE 96 lone 1 41 - 2 - HB2 GLU 38 - QE PHE 96 lone 1 34 - 2 - HB2 MET 11 - QE PHE 96 lone 1 29 - 2 - HB2 GLU 64 - QE PHE 96 lone 1 29 - 2 - HB3 GLU 64 - QE PHE 96 lone 0 27 - 2 - Average quality of peak assignments : 0.920 Average number of used assignments : 2.805 Average rank of reference assignment: 1.078 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 8255 in nnoeabs.peaks : 2000 in cnoeabs.peaks : 5983 in aronoe.peaks : 272 assigned : 8195 unassigned : 60 without assignment possibility : 3 with violation below 0.5 A : 57 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 16 in cnoeabs.peaks : 43 in aronoe.peaks : 1 with diagonal assignment : 814 Cross peaks: with off-diagonal assignment : 7381 with unique assignment : 1967 with short-range assignment |i-j|<=1: 5246 with medium-range assignment 1<|i-j|<5 : 1257 with long-range assignment |i-j|>=5: 878 Comparison with reference assignment: Cross peaks with reference assignment : 5063 with identical reference assignment : 1770 with compatible reference assignment : 4936 with incompatible reference assignment : 15 with additional reference assignment : 1 with additional assignment : 2430